A0A087X119_HUMAN Loading...

Contactin associated protein family member 3B

AlphaFold DB , UniProt , Accession A0A087X119, Species HUMAN (Homo sapiens, Human), Gene CNTNAP3B, Length 1,207 aa.

						>A0A087X119_HUMAN|A0A087X119|CNTNAP3B
MASVAWAVLKVLLLLPTQTWSPVGAGNPPDCDSPLASALPRSSFSSSSELSSSHGPGFSRLNRRDGAGGWTPLVSNKYQWLQIDLGERMEVTAVATQGGYGSSDWVTSYLLMFSDGGRNWKQYRREESIWGFPGNTNADSVVHYRLQPPFEARFLRFLPLAWNPRGRIGMRIEVYGCAYKSEVVYFDGQSALLYTLDKKPLKPIRDVISLKFKAMQSNGILLHREGQHGNHITLELIKGKLVFFLNSGNAKLPSTIAPVTLTLGSLLDDQHWHSVLIELLDTQVNFTVDKHTHHFQAKGDSSNLDLNFEISFGGILSPGRSRAFTRKSFHGCLENLYYNGVDVTELAKKHKPQILMMGNVSFSCPQPQTVPVTFLSSRSYLALPGNSGEDKVSVTFQFRTWNRAGHLLFGELQRGSGSFVLFLKDGKLKLSLFQAGQSPRNVTAGAGLNDGQWHSVSFSAKWSHMNVVVDDDTAVQPLVAVLIDSGDTYYFGGCLGNSSGSGCKSPLGGFQGCLRLITIGDKAVDPILVQQGALGSFRDLQIDSCGITDRCLPSYCEHGGECSQSWDTFSCDCLGTGYTGETCHSSLYEQSCEAHKHRGNPSGLYYIDADGSGPLGPFLVYCNMTDSAWTVVRHGGPDAVTLRGAPSGHPLSAVSFAYAAGAGQLRAAVNLAERCEQRLALRCGTARRPDSRDGTPLSWWVGRTNETHTSWGGSLPDAQKCTCGLEGNCIDSQYYCNCDAGQNEWTSDTIVLSQKEHLPVTQIVMTDTGQPHSEADYTLGPLLCRGDKSFWNSASFNTETSYLHFPAFHGELTADVCFFFKTTVSSGVFMENLGITDFIRIELRAPTEVTFSFDVGNGPCEVTVQSPTPFNDNQWHHVRAERNVKGASLQVDQLPQKMQPAPADGHVRLQLNSQLFIEISAYFATGSSMTYHFQEHYTLSENSSSLVSSLHRDVTLTREMITLSFRTTRTPSLLLYVSSFYEEYLSVILANNGSLQIRYKLDRHQNPDAFTFDFKNMADGQLHQVKINREEAVVMVEVNQSAKKQVILSSGTEFNAVKSLILGKVLEAAGADPDTRRAATSGFTGCLSAVRFGCAAPLKAALRPSGPSRVTVRGHVAPMARCAAGAASGSPARELAPRLAGGAGRSGPVDEGEPLVNADRRDSAVIGGVIAVEIFILLCITAIAIRIYQQRKLRKENESKVSKKEEC
					

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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	50.7	Low	42.8	Very low	246 Å²	246	134.9 Å²	134.9	100%	1.212	77%	0.772	S	S	*	*				0	77.7	0	-74.2	-159.3	-74.7	0	0	109.5
2	A	40.8	Very low	42.2	Very low	98 Å²	98	136.5 Å²	136.5	81%	0.81	78%	0.775	S	S	*	*			trans	-150.3	31.9	179.1	0	0	0	0	0	109
3	S	41.8	Very low	41.8	Very low	106 Å²	106	137 Å²	137	74%	0.741	77%	0.773	S	S	*	*	S	Bend	trans	-128.6	7.6	-171.2	-173.3	0	0	0	0	113.9
4	V	47.6	Very low	41.9	Very low	122 Å²	122	139 Å²	139	74%	0.739	78%	0.779	S	S	*	*	S	Bend	trans	-110.8	-17.7	176.8	-174	0	0	0	0	111.9
5	A	41.2	Very low	41.3	Very low	88 Å²	88	140.6 Å²	140.6	73%	0.727	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-13.4	179.6	0	0	0	0	0	114.8
6	W	41.1	Very low	40.7	Very low	212 Å²	212	139.4 Å²	139.4	80%	0.803	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-16.6	-179.7	-140.3	-46	0	0	0	113.7
7	A	42.9	Very low	39.9	Very low	73 Å²	73	138.9 Å²	138.9	60%	0.603	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-23.3	180	0	0	0	0	0	113.5
8	V	45.2	Very low	39.4	Very low	103 Å²	103	140.7 Å²	140.7	62%	0.624	79%	0.786	S	S	*	*	S	Bend	trans	-84	-22.8	-178.8	-176.3	0	0	0	0	112.2	K10	V8-K10 PolarHBondContact O-N 3.07Å
9	L	39.1	Very low	38.6	Very low	130 Å²	130	139.9 Å²	139.9	68%	0.681	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-9.1	-175.8	-148.7	78.4	0	0	0	114.6
10	K	38.8	Very low	38	Very low	179 Å²	179	144.6 Å²	144.6	78%	0.778	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-9	-179.5	-100.6	-172.5	176.3	-176	0	115.4	V8	V8-K10 PolarHBondContact O-N 3.07Å
11	V	41.8	Very low	37.4	Very low	127 Å²	127	142.7 Å²	142.7	77%	0.77	79%	0.787	S	S	*	*	S	Bend	trans	-93.8	-11.8	179.7	178.8	0	0	0	0	112.7
12	L	35.3	Very low	36.4	Very low	154 Å²	154	137 Å²	137	81%	0.806	77%	0.769	S	S	*	*	S	Bend	trans	-98	8.1	-177.1	-99.4	150.2	0	0	0	115.6
13	L	36.8	Very low	35.9	Very low	143 Å²	143	139.3 Å²	139.3	75%	0.749	77%	0.773	S	S	*	*	S	Bend	trans	-116.6	14.6	-174	-93.6	162.6	0	0	0	116.3
14	L	43.2	Very low	35.2	Very low	165 Å²	165	137.3 Å²	137.3	86%	0.864	77%	0.769	S	S	*	*			trans	-140.7	71.3	175.2	-73.7	173.4	0	0	0	113.2
15	L	32.8	Very low	34.6	Very low	163 Å²	163	137 Å²	137	85%	0.853	78%	0.779	S	S	*	*	S	Bend	trans	-146.2	133.3	152.3	-85	171.6	0	0	0	108.8
16	P	33	Very low	33.9	Very low	121 Å²	121	135.6 Å²	135.6	79%	0.786	77%	0.773	S	S	*	*			trans	-73.2	129.4	-174.4	29.7	-32.2	0	0	0	110.9	Q18	P16-Q18 PolarHBondContact O-N 2.93Å
17	T	25.7	Very low	33.5	Very low	131 Å²	131	133.4 Å²	133.4	80%	0.804	78%	0.777	S	S	*	*			trans	-73.2	92	171.2	51.3	0	0	0	0	109.9	T19	T17-T19 PolarHBondContact O-N 2.62Å
18	Q	31	Very low	33.4	Very low	171 Å²	171	133.5 Å²	133.5	80%	0.799	77%	0.772	S	S	*	*			trans	-69.8	110.6	148.6	-95.1	177.2	-9.8	0	0	107.1	P16 W20	P16-Q18 PolarHBondContact O-N 2.93Å; Q18-W20 PolarHBondContact O-N 2.96Å
19	T	24.5	Very low	33.6	Very low	126 Å²	126	135.1 Å²	135.1	77%	0.773	78%	0.784	S	S	*	*			trans	-72.8	95.2	171.6	48.5	0	0	0	0	108.9	T17	T17-T19 PolarHBondContact O-N 2.62Å
20	W	26.8	Very low	35	Very low	234 Å²	234	134.3 Å²	134.3	89%	0.886	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-77	118.4	155.1	-83	-11.8	0	0	0	108.5	Q18	Q18-W20 PolarHBondContact O-N 2.96Å
21	S	24.3	Very low	37.3	Very low	104 Å²	104	127 Å²	127	73%	0.727	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-81.7	136.3	165	-54.8	0	0	0	0	109.1	V23	S21-V23 PolarHBondContact O-N 3.36Å
22	P	31.1	Very low	39.6	Very low	126 Å²	126	123.1 Å²	123.1	82%	0.818	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-76.2	124.2	179	28.2	-26.5	0	0	0	109.8	G24	P22-G24 PolarHBondContact O-N 2.8Å
23	V	29.3	Very low	42.4	Very low	148 Å²	148	118.7 Å²	118.7	90%	0.897	71%	0.709	S	S	*	*			trans	-68.2	96	168.5	176.3	0	0	0	0	107.8	S21	S21-V23 PolarHBondContact O-N 3.36Å
24	G	27.4	Very low	45.1	Very low	64 Å²	64	115.3 Å²	115.3	66%	0.66	70%	0.696	S	S	*	*			trans	-75.6	124	166.4	0	0	0	0	0	109.8	P22 G26	P22-G24 PolarHBondContact O-N 2.8Å; G24-G26 PolarHBondContact O-N 2.75Å; G24-G26 VanDerWaalsContact O-N 3.15Å
25	A	35.4	Very low	47.6	Very low	114 Å²	114	108.6 Å²	108.6	94%	0.942	66%	0.66	S	S	*	*			trans	-60.3	109.4	173.8	0	0	0	0	0	111.2
26	G	27	Very low	50.4	Low	60 Å²	60	100.8 Å²	100.8	62%	0.619	62%	0.619	S	S	*	*			trans	-172.2	119.7	167.3	0	0	0	0	0	107.7	G24 P28	G24-G26 PolarHBondContact O-N 2.75Å; G24-G26 VanDerWaalsContact O-N 3.15Å; G26-P28 WeakPolarHBondContact O-CD 3.5Å
27	N	32.5	Very low	52.9	Low	166 Å²	166	97.7 Å²	97.7	89%	0.888	60%	0.601	S	S	*	*			trans	-51.9	123.3	173.3	-76.9	-15.5	0	0	0	108.6
28	P	39.4	Very low	55.8	Low	74 Å²	74	95.9 Å²	95.9	48%	0.481	60%	0.599	S	S	.	*			trans	-62.5	144.5	177.8	19.3	-24	0	0	0	109.5	G26 D30	G26-P28 WeakPolarHBondContact O-CD 3.5Å; P28-D30 PolarHBondContact O-N 2.85Å
29	P	50.3	Low	58.7	Low	137 Å²	137	89.2 Å²	89.2	89%	0.89	57%	0.569	S	S	*	*	S	Bend	trans	-69.4	-4.2	-172.3	-17.7	32.5	0	0	0	115.1
30	D	68.2	Low	62	Low	113 Å²	113	86.8 Å²	86.8	60%	0.604	56%	0.555	S	S	*	*			trans	-157.8	123.9	170.3	-113.2	-26.4	0	0	0	108.8	P28 D32	P28-D30 PolarHBondContact O-N 2.85Å; D30-D32 PolarHBondContact O-N 2.79Å
31	C	87.6	Confident	65	Low	25 Å²	25	82.8 Å²	82.8	17%	0.169	54%	0.54	C	S	.	.	S	Bend	trans	-78.9	51.6	177.7	-173.6	0	0	0	0	111.3	T92 G176 C177	C31-T92 HydrophobicContact CB-CG2 4.21Å; C31-T92 WeakPolarHBondContact O-CG2 3.37Å; C31-T92 PolarHBondContact O-OG1 3.3Å; C31-G176 WeakPolarHBondContact O-CA 3.15Å; C31-C177 HydrophobicContact CB-CB 4.02Å; C31-C177 WeakPolarHBondContact CB-SG 3.49Å; C31-C177 WeakPolarHBondContact SG-CB 3.29Å; C31-C177 PolarHBondContact SG-N 2.85Å; C31-C177 CovalentContact SG-SG 2.04Å; C31-C177 PolarHBondContact SG-SG 2.82Å
32	D	90.4	Very high	68.2	Low	46 Å²	46	83 Å²	83	25%	0.246	54%	0.541	C	S	.	.			trans	-126.6	30.1	-172.7	-75.1	-23	0	0	0	112.1	D30 T92 R145	D30-D32 PolarHBondContact O-N 2.79Å; D32-T92 WeakPolarHBondContact OD1-CB 3.39Å; D32-T92 PolarHBondContact OD1-OG1 3.19Å; D32-R145 IonicContact OD1-NH2 2.96Å; D32-R145 PolarHBondContact OD1-NH2 2.91Å; D32-R145 IonicContact OD2-CZ 2.86Å; D32-R145 IonicContact OD2-NH1 3.62Å; D32-R145 PolarHBondContact OD2-NH1 3.01Å; D32-R145 IonicContact OD2-NH2 2.83Å; D32-R145 PolarHBondContact OD2-NH2 3.03Å
33	S	93.6	Very high	71.3	Confident	61 Å²	61	77.8 Å²	77.8	43%	0.427	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	143.7	-178.8	-64.3	0	0	0	0	112.2	Y175 G176	S33-Y175 CarbonylContact O-C 3.55Å; S33-Y175 VanDerWaalsContact O-CA 3.26Å; S33-Y175 WeakPolarHBondContact O-CA 2.99Å; S33-G176 WeakPolarHBondContact CB-O 3.22Å; S33-G176 PolarHBondContact N-O 3.16Å; S33-G176 VanDerWaalsContact N-O 3.16Å; S33-G176 PolarHBondContact O-N 2.03Å
34	P	94.3	Very high	74.5	Confident	73 Å²	73	71.3 Å²	71.3	47%	0.474	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.7	176.6	28.6	-34.1	0	0	0	111.3	E173 Y175	P34-E173 HydrophobicContact CB-CG 4.15Å; P34-Y175 HydrophobicContact CB-CD1 4.24Å; P34-Y175 HydrophobicContact CB-CE1 4.11Å
35	L	94.3	Very high	77.7	Confident	23 Å²	23	70.2 Å²	70.2	12%	0.12	45%	0.45	C	S	.	.			trans	-108.1	-36.8	-173.7	-56.4	-176.1	0	0	0	112.3	L39 L85 M89 E173 V174	L35-L39 WeakPolarHBondContact O-CG 3.42Å; L35-L85 HydrophobicContact CB-CD2 4.17Å; L35-L85 HydrophobicContact CD1-CD1 4.17Å; L35-M89 HydrophobicContact CD1-CB 3.94Å; L35-M89 HydrophobicContact CD1-CE 4.21Å; L35-M89 HydrophobicContact CD1-CG 4.21Å; L35-M89 HydrophobicContact CD2-CE 3.72Å; L35-E173 PolarHBondContact N-OE1 2.78Å; L35-V174 HydrophobicContact CB-CB 4.47Å; L35-V174 WeakPolarHBondContact CB-O 3.46Å; L35-V174 HydrophobicContact CD1-CG1 4.29Å; L35-V174 PolarHBondContact N-O 2.87Å
36	A	91.3	Very high	80.5	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	41%	0.413	C	S	.	.	S	Bend	trans	-77.1	-32.9	-174.1	0	0	0	0	0	113.1	A38 L39 F44 I83 E173	A36-A38 VanDerWaalsContact C-N 3.25Å; A36-A38 PolarHBondContact O-N 3.44Å; A36-L39 PolarHBondContact O-N 3.34Å; A36-F44 HydrophobicContact CB-CZ 4.16Å; A36-I83 HydrophobicContact CB-CD1 3.32Å; A36-E173 WeakPolarHBondContact CA-OE1 3.1Å; A36-E173 WeakPolarHBondContact CB-OE1 3.08Å; A36-E173 PolarHBondContact N-OE1 2.88Å
37	S	86.6	Confident	83.6	Confident	56 Å²	56	64.9 Å²	64.9	39%	0.392	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.2	-177.5	-82.1	0	0	0	0	114.3	E173	S37-E173 VanDerWaalsContact CB-OE2 3.28Å; S37-E173 WeakPolarHBondContact CB-OE2 3.21Å; S37-E173 PolarHBondContact N-OE1 3.28Å; S37-E173 PolarHBondContact N-OE2 2.82Å; S37-E173 PolarHBondContact OG-OE2 3.29Å
38	A	85.9	Confident	86.4	Confident	93 Å²	93	58.5 Å²	58.5	77%	0.769	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.8	-177.9	0	0	0	0	0	114	A36	A36-A38 VanDerWaalsContact C-N 3.25Å; A36-A38 PolarHBondContact O-N 3.44Å
39	L	92.6	Very high	89	Confident	31 Å²	31	59.3 Å²	59.3	16%	0.162	36%	0.362	C	S	.	.	S	Bend	trans	-77.7	148.6	-173.3	-67.7	172.1	0	0	0	112.7	L35 A36 F44 R60 I83 L85	L35-L39 WeakPolarHBondContact O-CG 3.42Å; A36-L39 PolarHBondContact O-N 3.34Å; L39-F44 HydrophobicContact CB-CE2 4.08Å; L39-R60 PolarHBondContact O-NE 2.86Å; L39-R60 PolarHBondContact O-NH2 2.86Å; L39-I83 HydrophobicContact CD1-CD1 3.82Å; L39-I83 HydrophobicContact CD1-CG1 3.92Å; L39-L85 HydrophobicContact CD1-CD2 3.88Å
40	P	93.4	Very high	91.1	Very high	74 Å²	74	55.5 Å²	55.5	48%	0.481	33%	0.334	S	S	.	.			trans	-66.9	161.9	174.5	29.3	-35.4	0	0	0	112.1	S42 S43 F44 R60	P40-S42 PolarHBondContact O-N 3.49Å; P40-S43 WeakPolarHBondContact O-CB 3.42Å; P40-S43 PolarHBondContact O-N 3.25Å; P40-S43 VanDerWaalsContact O-N 3.1Å; P40-F44 WeakPolarHBondContact O-CD2 3.08Å; P40-R60 PolarHBondContact O-NH2 2.84Å
41	R	89.9	Confident	92.3	Very high	151 Å²	151	52.2 Å²	52.2	57%	0.57	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-60.6	-28.7	178.1	-70.7	-175.8	178.7	-178.9	0.8	113.2	S43 F44	R41-S43 PolarHBondContact O-N 3.25Å; R41-F44 PolarHBondContact O-N 2.84Å
42	S	92.5	Very high	92.6	Very high	109 Å²	109	56 Å²	56	76%	0.762	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18.8	176.6	53.4	0	0	0	0	113.9	P40 F44	P40-S42 PolarHBondContact O-N 3.49Å; S42-F44 PolarHBondContact O-N 3.16Å
43	S	95.8	Very high	92.7	Very high	16 Å²	16	55.8 Å²	55.8	11%	0.112	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-74.3	-9.5	175.2	-67.9	0	0	0	0	113.3	P40 R41 I83 D84	P40-S43 WeakPolarHBondContact O-CB 3.42Å; P40-S43 PolarHBondContact O-N 3.25Å; P40-S43 VanDerWaalsContact O-N 3.1Å; R41-S43 PolarHBondContact O-N 3.25Å; S43-I83 CarbonylContact O-C 3.19Å; S43-I83 WeakPolarHBondContact O-CA 3.13Å; S43-D84 VanDerWaalsContact CB-O 3.28Å; S43-D84 WeakPolarHBondContact CB-O 3.43Å; S43-D84 PolarHBondContact O-N 3.32Å; S43-D84 PolarHBondContact OG-O 2.88Å
44	F	95.4	Very high	92.7	Very high	11 Å²	11	54.4 Å²	54.4	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.1	-177.6	-63.6	-101	0	0	0	110	A36 L39 P40 R41 S42 P56 S59 R60 Q82 I83	A36-F44 HydrophobicContact CB-CZ 4.16Å; L39-F44 HydrophobicContact CB-CE2 4.08Å; P40-F44 WeakPolarHBondContact O-CD2 3.08Å; R41-F44 PolarHBondContact O-N 2.84Å; S42-F44 PolarHBondContact O-N 3.16Å; F44-P56 HydrophobicContact CB-CB 4.02Å; F44-S59 WeakPolarHBondContact CD1-OG 3.31Å; F44-R60 HydrophobicContact CE1-CG 4.37Å; F44-R60 HydrophobicContact CE2-CG 4.43Å; F44-R60 VanDerWaalsContact CE2-NH2 3.28Å; F44-R60 HydrophobicContact CZ-CG 3.87Å; F44-Q82 WeakPolarHBondContact CA-O 3.22Å; F44-I83 HydrophobicContact CD1-CD1 4.35Å; F44-I83 HydrophobicContact CD1-CG1 4.31Å; F44-I83 HydrophobicContact CE1-CD1 3.58Å; F44-I83 HydrophobicContact CE1-CG1 4.01Å; F44-I83 HydrophobicContact CE2-CD1 4.49Å; F44-I83 HydrophobicContact CZ-CD1 3.67Å; F44-I83 HydrophobicContact CZ-CG1 4.19Å
45	S	94.9	Very high	92.7	Very high	41 Å²	41	51 Å²	51	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.5	176.3	62.5	0	0	0	0	110.9	Q82	S45-Q82 PolarHBondContact N-O 3.05Å; S45-Q82 PolarHBondContact O-N 2.9Å; S45-Q82 WeakPolarHBondContact OG-CB 3.5Å
46	S	94.1	Very high	92.7	Very high	24 Å²	24	50.7 Å²	50.7	17%	0.168	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	165.1	-179.4	53.8	0	0	0	0	112.2	S48 P56 W70 W80	S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 3.37Å; S46-S48 PolarHBondContact OG-O 2.93Å; S46-P56 WeakPolarHBondContact OG-CD 3.37Å; S46-P56 WeakPolarHBondContact OG-CG 3.44Å; S46-W70 PolarHBondContact OG-NE1 3.04Å; S46-W80 VanDerWaalsContact CA-O 3.27Å; S46-W80 WeakPolarHBondContact CA-O 3.36Å; S46-W80 WeakPolarHBondContact CB-O 3.29Å; S46-W80 WeakPolarHBondContact O-CH2 3.41Å
47	S	91.9	Very high	92.8	Very high	39 Å²	39	51.2 Å²	51.2	27%	0.273	32%	0.318	S	S	.	.	S	Bend	trans	-60	-41.5	174.4	50.4	0	0	0	0	113.3	Q79 W80	S47-Q79 VanDerWaalsContact OG-CA 3.31Å; S47-Q79 WeakPolarHBondContact OG-CA 3.42Å; S47-Q79 PolarHBondContact OG-OE1 3.17Å; S47-W80 PolarHBondContact N-O 2.59Å; S47-W80 PolarHBondContact OG-N 2.77Å; S47-W80 PolarHBondContact OG-O 3.49Å
48	S	92.3	Very high	93.1	Very high	32 Å²	32	50 Å²	50	22%	0.224	31%	0.306	C	S	.	.			trans	-161	169.8	176.8	64.3	0	0	0	0	109.8	S46 W70 P72 L73 Q79	S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 3.37Å; S46-S48 PolarHBondContact OG-O 2.93Å; S48-W70 PolarHBondContact O-NE1 3.11Å; S48-P72 WeakPolarHBondContact OG-CB 3.3Å; S48-L73 PolarHBondContact OG-N 3.12Å; S48-Q79 PolarHBondContact OG-OE1 2.89Å
49	E	94.4	Very high	93.5	Very high	91 Å²	91	45.6 Å²	45.6	43%	0.425	27%	0.269	S	S	.	.			trans	-134.6	139.5	173.1	58.8	-178.8	-150.6	0	0	110	G55	E49-G55 WeakPolarHBondContact OE2-CA 3.31Å
50	L	93.8	Very high	93.6	Very high	57 Å²	57	45.4 Å²	45.4	30%	0.298	27%	0.267	S	S	.	.	S	Bend	trans	-68.3	-37.2	-180	178.4	61.3	0	0	0	112.3	H54 T71 L73	L50-H54 HydrophobicContact CB-CB 4.11Å; L50-T71 HydrophobicContact CB-CG2 4.13Å; L50-T71 HydrophobicContact CD2-CG2 3.91Å; L50-T71 PolarHBondContact N-O 3.14Å; L50-L73 HydrophobicContact CD1-CD1 4.32Å
51	S	93.9	Very high	93.6	Very high	44 Å²	44	42.5 Å²	42.5	31%	0.308	25%	0.247	S	C	.	.	S	Bend	trans	-158.6	172.2	172.2	74	0	0	0	0	109.3	S53 H54 G55	S51-S53 PolarHBondContact O-N 3.07Å; S51-S53 PolarHBondContact OG-N 2.8Å; S51-S53 PolarHBondContact OG-OG 3.47Å; S51-H54 PolarHBondContact O-N 2.89Å; S51-H54 PolarHBondContact OG-ND1 2.87Å; S51-G55 PolarHBondContact O-N 2.97Å
52	S	92.8	Very high	93.7	Very high	103 Å²	103	40.2 Å²	40.2	72%	0.72	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.1	176.2	58.7	0	0	0	0	114.2	F58	S52-F58 WeakPolarHBondContact O-CE2 3.43Å
53	S	92.6	Very high	93.5	Very high	42 Å²	42	41.1 Å²	41.1	29%	0.294	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-7.7	174.7	64.6	0	0	0	0	114.1	S51 F58 A67	S51-S53 PolarHBondContact O-N 3.07Å; S51-S53 PolarHBondContact OG-N 2.8Å; S51-S53 PolarHBondContact OG-OG 3.47Å; S53-F58 WeakPolarHBondContact O-CD2 3.4Å; S53-A67 PolarHBondContact O-N 3.09Å
54	H	94.3	Very high	93.2	Very high	32 Å²	32	48 Å²	48	15%	0.148	26%	0.256	C	S	.	.	S	Bend	trans	-109.9	14.2	176.8	-62.1	86.6	0	0	0	112.1	L50 S51 A67 W70 T71	L50-H54 HydrophobicContact CB-CB 4.11Å; S51-H54 PolarHBondContact O-N 2.89Å; S51-H54 PolarHBondContact OG-ND1 2.87Å; H54-A67 WeakPolarHBondContact CE1-CB 3.43Å; H54-A67 WeakPolarHBondContact NE2-CB 3.48Å; H54-W70 WeakPolarHBondContact O-CA 3.33Å; H54-T71 PolarHBondContact O-N 2.89Å
55	G	93.8	Very high	92.7	Very high	3 Å²	3	51 Å²	51	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-63.6	161.1	-178.7	0	0	0	0	0	113.2	E49 S51 G57 F58	E49-G55 WeakPolarHBondContact OE2-CA 3.31Å; S51-G55 PolarHBondContact O-N 2.97Å; G55-G57 PolarHBondContact O-N 3.28Å; G55-G57 VanDerWaalsContact O-N 3.11Å; G55-F58 PolarHBondContact O-N 3.3Å
56	P	94.2	Very high	92.4	Very high	16 Å²	16	51.3 Å²	51.3	10%	0.104	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.3	-175.9	25.6	-35	0	0	0	112.8	F44 S46 F58 S59 L81	F44-P56 HydrophobicContact CB-CB 4.02Å; S46-P56 WeakPolarHBondContact OG-CD 3.37Å; S46-P56 WeakPolarHBondContact OG-CG 3.44Å; P56-F58 PolarHBondContact O-N 3.31Å; P56-F58 VanDerWaalsContact O-N 3.14Å; P56-S59 VanDerWaalsContact O-CB 3.26Å; P56-S59 WeakPolarHBondContact O-CB 3.21Å; P56-S59 PolarHBondContact O-N 3.34Å; P56-S59 PolarHBondContact O-OG 3.46Å; P56-L81 HydrophobicContact CB-CD1 3.69Å
57	G	92.8	Very high	92.1	Very high	10 Å²	10	52 Å²	52	10%	0.103	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-64.2	-12.4	175.4	0	0	0	0	0	115.4	G55 R60	G55-G57 PolarHBondContact O-N 3.28Å; G55-G57 VanDerWaalsContact O-N 3.11Å; G57-R60 PolarHBondContact O-NH1 2.79Å
58	F	93.5	Very high	92	Very high	31 Å²	31	50.3 Å²	50.3	14%	0.136	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-95.4	0.9	174.4	-61	-72.1	0	0	0	113.3	S52 S53 G55 P56 R60 D65	S52-F58 WeakPolarHBondContact O-CE2 3.43Å; S53-F58 WeakPolarHBondContact O-CD2 3.4Å; G55-F58 PolarHBondContact O-N 3.3Å; P56-F58 PolarHBondContact O-N 3.31Å; P56-F58 VanDerWaalsContact O-N 3.14Å; F58-R60 PolarHBondContact O-N 3.36Å; F58-R60 VanDerWaalsContact O-N 3.13Å; F58-D65 HydrophobicContact CD1-CB 3.78Å; F58-D65 HydrophobicContact CE1-CB 4.1Å
59	S	94.2	Very high	92	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.			trans	-79	17.3	-178	68.2	0	0	0	0	114.5	F44 P56 R171 I172	F44-S59 WeakPolarHBondContact CD1-OG 3.31Å; P56-S59 VanDerWaalsContact O-CB 3.26Å; P56-S59 WeakPolarHBondContact O-CB 3.21Å; P56-S59 PolarHBondContact O-N 3.34Å; P56-S59 PolarHBondContact O-OG 3.46Å; S59-R171 CarbonylContact O-C 2.74Å; S59-R171 WeakPolarHBondContact O-CA 3.39Å; S59-I172 WeakPolarHBondContact O-CG1 3.33Å; S59-I172 PolarHBondContact O-N 2.98Å
60	R	94.1	Very high	92.1	Very high	28 Å²	28	44.5 Å²	44.5	11%	0.106	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-76.7	138.6	177.4	-72.2	-177.4	-166.5	71.7	5.3	110.7	L39 P40 F44 G57 F58 R63	L39-R60 PolarHBondContact O-NE 2.86Å; L39-R60 PolarHBondContact O-NH2 2.86Å; P40-R60 PolarHBondContact O-NH2 2.84Å; F44-R60 HydrophobicContact CE1-CG 4.37Å; F44-R60 HydrophobicContact CE2-CG 4.43Å; F44-R60 VanDerWaalsContact CE2-NH2 3.28Å; F44-R60 HydrophobicContact CZ-CG 3.87Å; G57-R60 PolarHBondContact O-NH1 2.79Å; F58-R60 PolarHBondContact O-N 3.36Å; F58-R60 VanDerWaalsContact O-N 3.13Å; R60-R63 HydrophobicContact CB-CB 4.37Å; R60-R63 HydrophobicContact CB-CG 3.72Å; R60-R63 WeakPolarHBondContact O-CB 3.13Å; R60-R63 PolarHBondContact O-N 2.8Å
61	L	93.5	Very high	92.2	Very high	12 Å²	12	42 Å²	42	6%	0.063	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	142	177.5	-162.8	76.5	0	0	0	112	R63 A95 Q97 V141 I172 E173	L61-R63 PolarHBondContact O-N 2.77Å; L61-A95 HydrophobicContact CD1-CB 4.44Å; L61-A95 HydrophobicContact CD2-CB 4.18Å; L61-Q97 HydrophobicContact CD1-CB 3.6Å; L61-V141 HydrophobicContact CD1-CG1 4.06Å; L61-V141 HydrophobicContact CD1-CG2 4.07Å; L61-V141 HydrophobicContact CD2-CG1 3.99Å; L61-V141 HydrophobicContact CD2-CG2 4.33Å; L61-V141 HydrophobicContact CG-CG2 4.32Å; L61-I172 PolarHBondContact N-O 2.79Å; L61-E173 HydrophobicContact CB-CB 3.75Å; L61-E173 HydrophobicContact CD2-CB 3.72Å; L61-E173 HydrophobicContact CD2-CG 4.43Å; L61-E173 HydrophobicContact CG-CB 4.25Å
62	N	92.1	Very high	92.3	Very high	103 Å²	103	39.9 Å²	39.9	55%	0.551	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	0.8	179	-63.1	-42.7	0	0	0	116.2	Q97	N62-Q97 PolarHBondContact OD1-NE2 3.13Å; N62-Q97 VanDerWaalsContact OD1-NE2 3.16Å
63	R	88.2	Confident	92.4	Very high	128 Å²	128	39.8 Å²	39.8	48%	0.483	21%	0.21	S	C	.	.			trans	-77.9	144.2	174.1	-66.5	-64.4	-174.3	147.6	-6.7	110.6	R60 L61 D65 R171	R60-R63 HydrophobicContact CB-CB 4.37Å; R60-R63 HydrophobicContact CB-CG 3.72Å; R60-R63 WeakPolarHBondContact O-CB 3.13Å; R60-R63 PolarHBondContact O-N 2.8Å; L61-R63 PolarHBondContact O-N 2.77Å; R63-D65 IonicContact NH1-OD2 3.66Å; R63-R171 VanDerWaalsContact O-CD 3.28Å; R63-R171 WeakPolarHBondContact O-CD 3.26Å; R63-R171 PolarHBondContact O-NH1 3.48Å
64	R	90.1	Very high	92.4	Very high	161 Å²	161	41.6 Å²	41.6	61%	0.608	22%	0.219	S	C	*	.			trans	-113.7	12.1	176.5	-58.2	-179.4	-179.8	-165	-0.9	111.8	Y100	R64-Y100 HydrophobicContact CB-CD1 3.97Å; R64-Y100 HydrophobicContact CB-CE1 4.2Å; R64-Y100 HydrophobicContact CB-CG 4.31Å; R64-Y100 HydrophobicContact CG-CD1 3.93Å; R64-Y100 HydrophobicContact CG-CD2 3.95Å; R64-Y100 HydrophobicContact CG-CE1 4.05Å; R64-Y100 HydrophobicContact CG-CE2 4.05Å; R64-Y100 HydrophobicContact CG-CG 3.88Å; R64-Y100 PolarHBondContact NH1-OH 2.93Å
65	D	86.3	Confident	92.3	Very high	75 Å²	75	41.7 Å²	41.7	40%	0.401	22%	0.224	S	C	.	.			trans	-71.4	155.1	-178.2	-55.2	-40.6	0	0	0	110.4	F58 R63 G68	F58-D65 HydrophobicContact CD1-CB 3.78Å; F58-D65 HydrophobicContact CE1-CB 4.1Å; R63-D65 IonicContact NH1-OD2 3.66Å; D65-G68 PolarHBondContact O-N 3.2Å
66	G	86.9	Confident	92.1	Very high	46 Å²	46	43.9 Å²	43.9	47%	0.474	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	-142.1	-177.6	0	0	0	0	0	111.8	G68	G66-G68 PolarHBondContact O-N 2.89Å
67	A	88.4	Confident	91.8	Very high	40 Å²	40	48.4 Å²	48.4	33%	0.331	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	24.1	174.3	0	0	0	0	0	112.8	S53 H54	S53-A67 PolarHBondContact O-N 3.09Å; H54-A67 WeakPolarHBondContact CE1-CB 3.43Å; H54-A67 WeakPolarHBondContact NE2-CB 3.48Å
68	G	89.3	Confident	91.5	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	95.2	-1.4	171.6	0	0	0	0	0	116.4	D65 G66 G99 Y100 R171	D65-G68 PolarHBondContact O-N 3.2Å; G66-G68 PolarHBondContact O-N 2.89Å; G68-G99 WeakPolarHBondContact O-CA 3.34Å; G68-Y100 PolarHBondContact O-N 3.2Å; G68-R171 VanDerWaalsContact O-CD 3.27Å; G68-R171 WeakPolarHBondContact O-CD 3.45Å; G68-R171 PolarHBondContact O-NE 2.93Å
69	G	93.6	Very high	91.5	Very high	1 Å²	1	51 Å²	51	1%	0.01	26%	0.26	C	S	.	.	S	Bend	trans	163.3	-174.1	176.5	0	0	0	0	0	112.8
70	W	96.3	Very high	91.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-81.4	134.2	170	167.7	70.7	0	0	0	111.1	S46 S48 H54 P72 Q79 W80 L81 P159 I168 G169 M170	S46-W70 PolarHBondContact OG-NE1 3.04Å; S48-W70 PolarHBondContact O-NE1 3.11Å; H54-W70 WeakPolarHBondContact O-CA 3.33Å; W70-P72 HydrophobicContact CH2-CB 4.44Å; W70-P72 HydrophobicContact CH2-CG 4.27Å; W70-P72 HydrophobicContact CZ2-CB 3.86Å; W70-P72 HydrophobicContact CZ2-CG 4.14Å; W70-Q79 HydrophobicContact CH2-CB 4.13Å; W70-W80 WeakPolarHBondContact CH2-O 3.46Å; W70-W80 VanDerWaalsContact CZ2-O 3.25Å; W70-W80 WeakPolarHBondContact CZ2-O 3.25Å; W70-L81 HydrophobicContact CB-CD1 4.22Å; W70-L81 HydrophobicContact CB-CD2 4.49Å; W70-L81 HydrophobicContact CD2-CB 4.1Å; W70-L81 HydrophobicContact CD2-CD1 4.04Å; W70-L81 HydrophobicContact CD2-CD2 4.47Å; W70-L81 HydrophobicContact CD2-CG 4.43Å; W70-L81 HydrophobicContact CE3-CB 3.71Å; W70-L81 HydrophobicContact CE3-CD1 4.37Å; W70-L81 HydrophobicContact CE3-CD2 4.05Å; W70-L81 HydrophobicContact CE3-CG 4.26Å; W70-L81 HydrophobicContact CG-CD1 3.97Å; W70-L81 HydrophobicContact CH2-CB 4.09Å; W70-L81 HydrophobicContact CZ2-CB 4.48Å; W70-L81 HydrophobicContact CZ3-CB 3.7Å; W70-P159 HydrophobicContact CH2-CG 4.46Å; W70-P159 HydrophobicContact CZ3-CG 4.23Å; W70-I168 HydrophobicContact CE3-CG2 4.36Å; W70-I168 HydrophobicContact CH2-CG2 4.14Å; W70-I168 HydrophobicContact CZ3-CG2 3.7Å; W70-G169 WeakPolarHBondContact O-CA 3.23Å; W70-M170 HydrophobicContact CE3-CB 4.09Å; W70-M170 HydrophobicContact CE3-CG 4.25Å; W70-M170 HydrophobicContact CE3-SD 4.45Å; W70-M170 HydrophobicContact CZ3-CG 4.3Å; W70-M170 HydrophobicContact CZ3-SD 4.05Å; W70-M170 PolarHBondContact N-O 3.48Å; W70-M170 PolarHBondContact O-N 3.3Å
71	T	96.5	Very high	91.6	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.025	26%	0.262	C	S	.	.			trans	-139.2	125.9	172.8	-64.8	0	0	0	0	109.6	L50 H54 R167 I168	L50-T71 HydrophobicContact CB-CG2 4.13Å; L50-T71 HydrophobicContact CD2-CG2 3.91Å; L50-T71 PolarHBondContact N-O 3.14Å; H54-T71 PolarHBondContact O-N 2.89Å; T71-R167 HydrophobicContact CG2-CB 4.33Å; T71-I168 WeakPolarHBondContact CA-O 2.98Å; T71-I168 WeakPolarHBondContact CB-O 3.43Å; T71-I168 VanDerWaalsContact CG2-O 3.3Å; T71-I168 WeakPolarHBondContact CG2-O 3.3Å; T71-I168 PolarHBondContact OG1-O 3.13Å
72	P	95.4	Very high	91.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.			trans	-72.3	160.5	178.2	29.8	-33.8	0	0	0	112	S48 W70 V74 Q79 I168	S48-P72 WeakPolarHBondContact OG-CB 3.3Å; W70-P72 HydrophobicContact CH2-CB 4.44Å; W70-P72 HydrophobicContact CH2-CG 4.27Å; W70-P72 HydrophobicContact CZ2-CB 3.86Å; W70-P72 HydrophobicContact CZ2-CG 4.14Å; P72-V74 VanDerWaalsContact C-N 3.3Å; P72-V74 PolarHBondContact O-N 3Å; P72-Q79 HydrophobicContact CB-CB 4.16Å; P72-Q79 HydrophobicContact CB-CG 3.74Å; P72-Q79 VanDerWaalsContact CB-OE1 3.25Å; P72-Q79 HydrophobicContact CG-CB 4.09Å; P72-Q79 HydrophobicContact CG-CG 3.75Å; P72-I168 WeakPolarHBondContact CD-O 3.15Å; P72-I168 HydrophobicContact CG-CB 3.76Å; P72-I168 HydrophobicContact CG-CD1 4.1Å; P72-I168 HydrophobicContact CG-CG1 4.48Å; P72-I168 HydrophobicContact CG-CG2 3.89Å
73	L	94.1	Very high	91.9	Very high	101 Å²	101	47.2 Å²	47.2	53%	0.529	24%	0.238	S	C	.	.	S	Bend	trans	-60	-41.4	177.2	-178.5	63.7	0	0	0	111.9	S48 L50	S48-L73 PolarHBondContact OG-N 3.12Å; L50-L73 HydrophobicContact CD1-CD1 4.32Å
74	V	92.3	Very high	92.3	Very high	80 Å²	80	42.7 Å²	42.7	49%	0.485	22%	0.223	S	C	.	.	S	Bend	trans	-125.8	132.9	177.2	-176.6	0	0	0	0	108.8	P72 N76 Q79	P72-V74 VanDerWaalsContact C-N 3.3Å; P72-V74 PolarHBondContact O-N 3Å; V74-N76 PolarHBondContact O-N 3.32Å; V74-Q79 WeakPolarHBondContact O-CG 3.48Å; V74-Q79 PolarHBondContact O-NE2 3.4Å
75	S	92.9	Very high	92.5	Very high	34 Å²	34	35.6 Å²	35.6	24%	0.238	20%	0.198	C	C	.	.			trans	-87.8	98.1	174.3	-66	0	0	0	0	110.4	W162 I168	S75-W162 WeakPolarHBondContact O-CZ2 3.4Å; S75-I168 PolarHBondContact OG-N 3.01Å; S75-I168 VanDerWaalsContact OG-N 3.12Å
76	N	90.4	Very high	92.8	Very high	50 Å²	50	34 Å²	34	27%	0.267	20%	0.199	S	C	.	.	S	Bend	trans	-143.1	174.3	174.9	67.5	32.3	0	0	0	110.6	V74 Y78 Q79	V74-N76 PolarHBondContact O-N 3.32Å; N76-Y78 PolarHBondContact O-N 2.9Å; N76-Y78 VanDerWaalsContact O-N 3.1Å; N76-Y78 WeakPolarHBondContact OD1-CB 3.47Å; N76-Y78 PolarHBondContact OD1-N 2.96Å; N76-Q79 WeakPolarHBondContact O-CG 3.11Å; N76-Q79 PolarHBondContact O-N 3.4Å; N76-Q79 PolarHBondContact OD1-NE2 2.87Å
77	K	86.4	Confident	93	Very high	111 Å²	111	37.7 Å²	37.7	48%	0.483	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-3.3	-177.4	68.8	179.3	-177.7	179.9	0	115.8	D539	K77-D539 IonicContact NZ-OD1 3.27Å; K77-D539 PolarHBondContact NZ-OD1 3.37Å
78	Y	87.4	Confident	93	Very high	80 Å²	80	37.3 Å²	37.3	31%	0.314	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.2	-178.9	-55.3	-66.2	0	0	0	112.8	N76 F537 D539	N76-Y78 PolarHBondContact O-N 2.9Å; N76-Y78 VanDerWaalsContact O-N 3.1Å; N76-Y78 WeakPolarHBondContact OD1-CB 3.47Å; N76-Y78 PolarHBondContact OD1-N 2.96Å; Y78-F537 AromaticContact CD1-CE2 3.99Å; Y78-F537 HydrophobicContact CD1-CE2 3.99Å; Y78-F537 HydrophobicContact CD1-CZ 4.34Å; Y78-F537 AromaticContact CE1-CE2 3.69Å; Y78-F537 HydrophobicContact CE1-CE2 3.69Å; Y78-F537 HydrophobicContact CE1-CZ 4.44Å; Y78-D539 PolarHBondContact OH-N 2.94Å
79	Q	92.9	Very high	93.2	Very high	16 Å²	16	38.2 Å²	38.2	8%	0.075	20%	0.198	C	C	.	.			trans	-76.2	149.6	179.5	-54.9	-51.5	-51.2	0	0	111.1	S47 S48 W70 P72 V74 N76 P159 I168	S47-Q79 VanDerWaalsContact OG-CA 3.31Å; S47-Q79 WeakPolarHBondContact OG-CA 3.42Å; S47-Q79 PolarHBondContact OG-OE1 3.17Å; S48-Q79 PolarHBondContact OG-OE1 2.89Å; W70-Q79 HydrophobicContact CH2-CB 4.13Å; P72-Q79 HydrophobicContact CB-CB 4.16Å; P72-Q79 HydrophobicContact CB-CG 3.74Å; P72-Q79 VanDerWaalsContact CB-OE1 3.25Å; P72-Q79 HydrophobicContact CG-CB 4.09Å; P72-Q79 HydrophobicContact CG-CG 3.75Å; V74-Q79 WeakPolarHBondContact O-CG 3.48Å; V74-Q79 PolarHBondContact O-NE2 3.4Å; N76-Q79 WeakPolarHBondContact O-CG 3.11Å; N76-Q79 PolarHBondContact O-N 3.4Å; N76-Q79 PolarHBondContact OD1-NE2 2.87Å; Q79-P159 VanDerWaalsContact O-CD 3.28Å; Q79-P159 WeakPolarHBondContact O-CD 3.41Å; Q79-I168 HydrophobicContact CB-CD1 4Å; Q79-I168 HydrophobicContact CG-CD1 4.01Å
80	W	94	Very high	93.3	Very high	40 Å²	40	40.8 Å²	40.8	15%	0.152	21%	0.209	C	C	.	.			trans	-151.5	150.1	177.4	55	-98.7	0	0	0	111.4	S46 S47 W70 Q82 R156 F157 L158 Q530	S46-W80 VanDerWaalsContact CA-O 3.27Å; S46-W80 WeakPolarHBondContact CA-O 3.36Å; S46-W80 WeakPolarHBondContact CB-O 3.29Å; S46-W80 WeakPolarHBondContact O-CH2 3.41Å; S47-W80 PolarHBondContact N-O 2.59Å; S47-W80 PolarHBondContact OG-N 2.77Å; S47-W80 PolarHBondContact OG-O 3.49Å; W70-W80 WeakPolarHBondContact CH2-O 3.46Å; W70-W80 VanDerWaalsContact CZ2-O 3.25Å; W70-W80 WeakPolarHBondContact CZ2-O 3.25Å; W80-Q82 HydrophobicContact CE3-CB 3.73Å; W80-Q82 HydrophobicContact CZ3-CB 3.61Å; W80-R156 HydrophobicContact CB-CG 3.78Å; W80-R156 HydrophobicContact CD2-CG 4.44Å; W80-R156 HydrophobicContact CE3-CG 4.29Å; W80-R156 HydrophobicContact CG-CG 4.26Å; W80-F157 VanDerWaalsContact CA-O 3.3Å; W80-F157 WeakPolarHBondContact CA-O 3.45Å; W80-L158 HydrophobicContact CB-CG 4.22Å; W80-Q530 VanDerWaalsContact NE1-NE2 3.16Å
81	L	95.9	Very high	93.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.8	171.1	175.4	65.7	0	0	0	108.5	P56 W70 R156 F157 M170 I172	P56-L81 HydrophobicContact CB-CD1 3.69Å; W70-L81 HydrophobicContact CB-CD1 4.22Å; W70-L81 HydrophobicContact CB-CD2 4.49Å; W70-L81 HydrophobicContact CD2-CB 4.1Å; W70-L81 HydrophobicContact CD2-CD1 4.04Å; W70-L81 HydrophobicContact CD2-CD2 4.47Å; W70-L81 HydrophobicContact CD2-CG 4.43Å; W70-L81 HydrophobicContact CE3-CB 3.71Å; W70-L81 HydrophobicContact CE3-CD1 4.37Å; W70-L81 HydrophobicContact CE3-CD2 4.05Å; W70-L81 HydrophobicContact CE3-CG 4.26Å; W70-L81 HydrophobicContact CG-CD1 3.97Å; W70-L81 HydrophobicContact CH2-CB 4.09Å; W70-L81 HydrophobicContact CZ2-CB 4.48Å; W70-L81 HydrophobicContact CZ3-CB 3.7Å; L81-R156 CarbonylContact O-C 3.48Å; L81-R156 WeakPolarHBondContact O-CA 3.24Å; L81-F157 PolarHBondContact N-O 3.49Å; L81-F157 PolarHBondContact O-N 3.22Å; L81-M170 HydrophobicContact CD2-CB 4.2Å; L81-I172 HydrophobicContact CD2-CD1 3.86Å; L81-I172 HydrophobicContact CD2-CG1 4.1Å; L81-I172 HydrophobicContact CD2-CG2 4.05Å; L81-I172 HydrophobicContact CG-CD1 4.28Å
82	Q	95.3	Very high	93.2	Very high	22 Å²	22	41.1 Å²	41.1	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.1	-172.3	174.8	177.9	-47.3	0	0	111.4	F44 S45 W80 W120 L155 R156	F44-Q82 WeakPolarHBondContact CA-O 3.22Å; S45-Q82 PolarHBondContact N-O 3.05Å; S45-Q82 PolarHBondContact O-N 2.9Å; S45-Q82 WeakPolarHBondContact OG-CB 3.5Å; W80-Q82 HydrophobicContact CE3-CB 3.73Å; W80-Q82 HydrophobicContact CZ3-CB 3.61Å; Q82-W120 HydrophobicContact CG-CH2 3.87Å; Q82-W120 HydrophobicContact CG-CZ2 4.41Å; Q82-L155 CarbonylContact C-O 3.49Å; Q82-L155 VanDerWaalsContact CA-O 3.27Å; Q82-L155 WeakPolarHBondContact CA-O 3.25Å; Q82-R156 HydrophobicContact CB-CB 4.38Å; Q82-R156 HydrophobicContact CB-CG 4.36Å
83	I	96.3	Very high	93.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.5	175.5	-169	170.7	0	0	0	110.8	A36 L39 S43 F44 L85 F154 L155 V174	A36-I83 HydrophobicContact CB-CD1 3.32Å; L39-I83 HydrophobicContact CD1-CD1 3.82Å; L39-I83 HydrophobicContact CD1-CG1 3.92Å; S43-I83 CarbonylContact O-C 3.19Å; S43-I83 WeakPolarHBondContact O-CA 3.13Å; F44-I83 HydrophobicContact CD1-CD1 4.35Å; F44-I83 HydrophobicContact CD1-CG1 4.31Å; F44-I83 HydrophobicContact CE1-CD1 3.58Å; F44-I83 HydrophobicContact CE1-CG1 4.01Å; F44-I83 HydrophobicContact CE2-CD1 4.49Å; F44-I83 HydrophobicContact CZ-CD1 3.67Å; F44-I83 HydrophobicContact CZ-CG1 4.19Å; I83-L85 HydrophobicContact CD1-CD2 4.12Å; I83-L85 HydrophobicContact CG1-CD2 4.25Å; I83-F154 WeakPolarHBondContact O-CA 3.48Å; I83-L155 HydrophobicContact CG2-CB 3.71Å; I83-L155 HydrophobicContact CG2-CD1 4.35Å; I83-L155 PolarHBondContact N-O 3.19Å; I83-L155 PolarHBondContact O-N 2.96Å; I83-V174 HydrophobicContact CD1-CG2 4.46Å; I83-V174 HydrophobicContact CG2-CG2 4.33Å
84	D	96.5	Very high	93.3	Very high	33 Å²	33	36.4 Å²	36.4	18%	0.176	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.2	168.4	-177.6	2.2	0	0	0	109.1	S43 G86 R153 F154	S43-D84 VanDerWaalsContact CB-O 3.28Å; S43-D84 WeakPolarHBondContact CB-O 3.43Å; S43-D84 PolarHBondContact O-N 3.32Å; S43-D84 PolarHBondContact OG-O 2.88Å; D84-G86 PolarHBondContact O-N 3.49Å; D84-G86 WeakPolarHBondContact OD1-CA 3.47Å; D84-G86 PolarHBondContact OD1-N 3.49Å; D84-R153 VanDerWaalsContact OD1-CG 3.31Å; D84-R153 WeakPolarHBondContact OD1-CG 3.32Å; D84-R153 IonicContact OD1-CZ 3.86Å; D84-R153 IonicContact OD1-NE 2.76Å; D84-R153 PolarHBondContact OD1-NE 3.07Å; D84-R153 IonicContact OD1-NH2 3.61Å; D84-R153 PolarHBondContact OD1-NH2 2.91Å; D84-R153 IonicContact OD2-CZ 2.68Å; D84-R153 IonicContact OD2-NE 3.2Å; D84-R153 IonicContact OD2-NH2 3.74Å; D84-R153 PolarHBondContact OD2-NH2 3.02Å; D84-F154 HydrophobicContact CB-CD1 3.72Å; D84-F154 HydrophobicContact CB-CE1 3.52Å; D84-F154 HydrophobicContact CB-CZ 4.47Å; D84-F154 WeakPolarHBondContact OD2-CE1 3.27Å
85	L	95.3	Very high	93.5	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.068	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-4.2	178.6	-57.9	-179.3	0	0	0	113.1	L35 L39 I83 E87 M89 V91 R153 L155	L35-L85 HydrophobicContact CB-CD2 4.17Å; L35-L85 HydrophobicContact CD1-CD1 4.17Å; L39-L85 HydrophobicContact CD1-CD2 3.88Å; I83-L85 HydrophobicContact CD1-CD2 4.12Å; I83-L85 HydrophobicContact CG1-CD2 4.25Å; L85-E87 PolarHBondContact O-N 3.07Å; L85-E87 VanDerWaalsContact O-N 3.17Å; L85-M89 HydrophobicContact CB-CG 3.8Å; L85-M89 HydrophobicContact CD1-CB 3.76Å; L85-M89 HydrophobicContact CD1-CG 3.73Å; L85-M89 HydrophobicContact CG-CG 4.4Å; L85-V91 HydrophobicContact CD1-CG2 4.18Å; L85-R153 WeakPolarHBondContact CB-O 3.49Å; L85-R153 WeakPolarHBondContact CG-O 3.48Å; L85-R153 PolarHBondContact N-O 2.79Å; L85-L155 HydrophobicContact CD1-CD1 3.5Å; L85-L155 VanDerWaalsContact CD1-CD1 3.5Å; L85-L155 HydrophobicContact CD2-CD1 4.5Å; L85-L155 HydrophobicContact CG-CD1 3.9Å
86	G	92.5	Very high	93.7	Very high	41 Å²	41	31 Å²	31	42%	0.423	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	87.4	-49.4	179.2	0	0	0	0	0	112.8	D84 R153	D84-G86 PolarHBondContact O-N 3.49Å; D84-G86 WeakPolarHBondContact OD1-CA 3.47Å; D84-G86 PolarHBondContact OD1-N 3.49Å; G86-R153 VanDerWaalsContact O-CZ 3.28Å; G86-R153 PolarHBondContact O-NE 3.15Å
87	E	90.2	Very high	93.9	Very high	123 Å²	123	28.9 Å²	28.9	58%	0.575	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	176.9	174.4	68.2	-171	147.3	0	0	111.5	L85 M89 R153	L85-E87 PolarHBondContact O-N 3.07Å; L85-E87 VanDerWaalsContact O-N 3.17Å; E87-M89 HydrophobicContact CG-SD 3.54Å; E87-M89 VanDerWaalsContact CG-SD 3.54Å; E87-M89 PolarHBondContact O-N 3.48Å; E87-R153 WeakPolarHBondContact O-CA 3.16Å
88	R	90.3	Very high	94.4	Very high	33 Å²	33	23.6 Å²	23.6	13%	0.125	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	118.8	179.3	-162.1	171.5	-179.2	-146.9	-9.6	108.7	D115 E151 Y179 W272 E334	R88-D115 IonicContact CZ-OD2 3.31Å; R88-D115 IonicContact NE-OD1 2.68Å; R88-D115 PolarHBondContact NE-OD1 3.44Å; R88-D115 IonicContact NE-OD2 3.12Å; R88-E151 HydrophobicContact CG-CB 4.3Å; R88-Y179 PolarHBondContact O-N 3.36Å; R88-W272 VanDerWaalsContact CZ-CD1 3.46Å; R88-E334 IonicContact CZ-OE1 3.63Å; R88-E334 IonicContact CZ-OE2 3.5Å; R88-E334 IonicContact NH1-OE1 3.31Å; R88-E334 PolarHBondContact NH1-OE1 2.93Å; R88-E334 IonicContact NH1-OE2 2.67Å; R88-E334 PolarHBondContact NH1-OE2 3.23Å; R88-E334 IonicContact NH2-OE2 3.97Å
89	M	93.5	Very high	94.7	Very high	21 Å²	21	19.9 Å²	19.9	10%	0.103	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	150.2	-177.3	-53.9	-59.6	-81.1	0	0	109.6	L35 L85 E87 E151 A152 C177 A178	L35-M89 HydrophobicContact CD1-CB 3.94Å; L35-M89 HydrophobicContact CD1-CE 4.21Å; L35-M89 HydrophobicContact CD1-CG 4.21Å; L35-M89 HydrophobicContact CD2-CE 3.72Å; L85-M89 HydrophobicContact CB-CG 3.8Å; L85-M89 HydrophobicContact CD1-CB 3.76Å; L85-M89 HydrophobicContact CD1-CG 3.73Å; L85-M89 HydrophobicContact CG-CG 4.4Å; E87-M89 HydrophobicContact CG-SD 3.54Å; E87-M89 VanDerWaalsContact CG-SD 3.54Å; E87-M89 PolarHBondContact O-N 3.48Å; M89-E151 VanDerWaalsContact O-CA 3.28Å; M89-E151 WeakPolarHBondContact O-CA 3.4Å; M89-A152 PolarHBondContact N-O 2.81Å; M89-A152 PolarHBondContact O-N 2.92Å; M89-C177 WeakPolarHBondContact CA-O 3.23Å; M89-A178 HydrophobicContact CE-CB 4.15Å; M89-A178 HydrophobicContact SD-CB 4.3Å
90	E	94.9	Very high	94.7	Very high	55 Å²	55	23.1 Å²	23.1	26%	0.257	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.4	165.2	-177.9	174.1	-176.4	0	0	108	P149 G176 C177 Y179	E90-P149 HydrophobicContact CG-CB 4.38Å; E90-G176 CarbonylContact O-C 3.51Å; E90-G176 WeakPolarHBondContact O-CA 3.34Å; E90-C177 PolarHBondContact N-O 3.17Å; E90-C177 PolarHBondContact O-N 2.95Å; E90-Y179 HydrophobicContact CB-CD2 4.5Å
91	V	95.6	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.9	-176.4	-175.7	0	0	0	0	109.7	L85 L146 P149 F150 L155 V174	L85-V91 HydrophobicContact CD1-CG2 4.18Å; V91-L146 HydrophobicContact CG1-CD1 3.67Å; V91-P149 VanDerWaalsContact O-CA 3.29Å; V91-P149 WeakPolarHBondContact O-CA 3.21Å; V91-P149 VanDerWaalsContact O-CB 3.24Å; V91-P149 WeakPolarHBondContact O-CB 3.29Å; V91-F150 HydrophobicContact CB-CE1 4.31Å; V91-F150 HydrophobicContact CB-CE2 4.31Å; V91-F150 HydrophobicContact CB-CZ 4.16Å; V91-F150 HydrophobicContact CG1-CE1 4.32Å; V91-F150 HydrophobicContact CG1-CZ 4.24Å; V91-F150 HydrophobicContact CG2-CE2 4.32Å; V91-F150 PolarHBondContact N-O 3.41Å; V91-F150 PolarHBondContact O-N 3.01Å; V91-L155 HydrophobicContact CG1-CD2 4.1Å; V91-L155 HydrophobicContact CG2-CD1 4.25Å; V91-L155 HydrophobicContact CG2-CD2 4.31Å; V91-V174 HydrophobicContact CG1-CG1 3.59Å; V91-V174 HydrophobicContact CG2-CG1 4.21Å
92	T	95.3	Very high	94.2	Very high	11 Å²	11	26.4 Å²	26.4	7%	0.067	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-24.8	-175.2	61.8	0	0	0	0	113.5	C31 D32 L146 P149 Y175	C31-T92 HydrophobicContact CB-CG2 4.21Å; C31-T92 WeakPolarHBondContact O-CG2 3.37Å; C31-T92 PolarHBondContact O-OG1 3.3Å; D32-T92 WeakPolarHBondContact OD1-CB 3.39Å; D32-T92 PolarHBondContact OD1-OG1 3.19Å; T92-L146 WeakPolarHBondContact O-CB 3.23Å; T92-L146 PolarHBondContact O-N 3.14Å; T92-P149 HydrophobicContact CG2-CB 4.14Å; T92-Y175 PolarHBondContact N-O 2.97Å; T92-Y175 PolarHBondContact OG1-O 3.43Å
93	A	94.9	Very high	94	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.4	175.5	0	0	0	0	0	112.7	H143 Y144 Y175	A93-H143 WeakPolarHBondContact CB-NE2 3.39Å; A93-Y144 VanDerWaalsContact CA-O 3.3Å; A93-Y144 WeakPolarHBondContact CA-O 3.45Å; A93-Y144 VanDerWaalsContact CB-O 3.32Å; A93-Y144 WeakPolarHBondContact CB-O 3.33Å; A93-Y175 HydrophobicContact CB-CD2 4.05Å; A93-Y175 HydrophobicContact CB-CG 4.38Å; A93-Y175 PolarHBondContact N-O 2.98Å; A93-Y175 PolarHBondContact O-N 3.49Å
94	V	96.1	Very high	94	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.3	169.6	-65.5	0	0	0	0	109.5	L111 Y144 L146 L155 F157 E173	V94-L111 HydrophobicContact CG1-CD1 4.47Å; V94-L111 HydrophobicContact CG1-CD2 4.03Å; V94-L111 HydrophobicContact CG2-CD2 4.44Å; V94-Y144 PolarHBondContact N-O 2.99Å; V94-Y144 PolarHBondContact O-N 2.8Å; V94-L146 HydrophobicContact CG1-CD1 4.27Å; V94-L155 HydrophobicContact CG1-CD2 4.4Å; V94-F157 HydrophobicContact CB-CE1 4.2Å; V94-F157 HydrophobicContact CB-CZ 4.26Å; V94-F157 HydrophobicContact CG1-CE1 4.35Å; V94-F157 HydrophobicContact CG1-CZ 4.06Å; V94-E173 WeakPolarHBondContact CA-O 3.18Å
95	A	96.4	Very high	93.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.3	171.1	0	0	0	0	0	111.5	L61 V141 V142 H143 I172 E173 Y175	L61-A95 HydrophobicContact CD1-CB 4.44Å; L61-A95 HydrophobicContact CD2-CB 4.18Å; A95-V141 HydrophobicContact CB-CG1 3.86Å; A95-V142 CarbonylContact C-O 3.56Å; A95-V142 VanDerWaalsContact CA-O 3.23Å; A95-V142 WeakPolarHBondContact CA-O 3.45Å; A95-H143 HydrophobicContact CB-CB 4.43Å; A95-I172 CarbonylContact O-C 3.42Å; A95-I172 VanDerWaalsContact O-CA 3.23Å; A95-I172 WeakPolarHBondContact O-CA 3.27Å; A95-E173 HydrophobicContact CB-CB 4.33Å; A95-E173 PolarHBondContact N-O 3.18Å; A95-E173 PolarHBondContact O-N 2.93Å; A95-Y175 HydrophobicContact CB-CE2 3.87Å
96	T	96.6	Very high	94	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.9	178.2	57.8	0	0	0	0	111.2	Y109 N135 V142 F157 M170 R171 I172	T96-Y109 HydrophobicContact CG2-CD1 4.25Å; T96-Y109 HydrophobicContact CG2-CE1 3.58Å; T96-Y109 HydrophobicContact CG2-CE2 4.33Å; T96-N135 PolarHBondContact O-ND2 3.15Å; T96-N135 PolarHBondContact OG1-OD1 3.44Å; T96-V142 PolarHBondContact N-O 3.32Å; T96-V142 PolarHBondContact O-N 3.07Å; T96-F157 HydrophobicContact CG2-CD1 4.43Å; T96-F157 HydrophobicContact CG2-CE1 4.32Å; T96-M170 HydrophobicContact CG2-CE 4.04Å; T96-R171 CarbonylContact C-O 3.58Å; T96-R171 WeakPolarHBondContact CA-O 3.31Å; T96-I172 HydrophobicContact CG2-CG2 4.34Å
97	Q	96.1	Very high	94	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.033	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	147.1	178.1	-171.6	-179.4	41.3	0	0	108.5	L61 N62 N135 A138 D139 V141 M170 R171	L61-Q97 HydrophobicContact CD1-CB 3.6Å; N62-Q97 PolarHBondContact OD1-NE2 3.13Å; N62-Q97 VanDerWaalsContact OD1-NE2 3.16Å; Q97-N135 VanDerWaalsContact CA-ND2 3.3Å; Q97-N135 WeakPolarHBondContact CA-ND2 3.25Å; Q97-N135 PolarHBondContact N-OD1 2.85Å; Q97-A138 WeakPolarHBondContact CG-O 3.34Å; Q97-D139 PolarHBondContact NE2-O 2.82Å; Q97-V141 HydrophobicContact CB-CG2 4.49Å; Q97-V141 HydrophobicContact CG-CG2 4.38Å; Q97-M170 CarbonylContact O-C 3.38Å; Q97-M170 WeakPolarHBondContact O-CA 3.46Å; Q97-R171 HydrophobicContact CB-CB 4.14Å; Q97-R171 VanDerWaalsContact CD-CZ 3.46Å; Q97-R171 VanDerWaalsContact CD-NH2 3.32Å; Q97-R171 PolarHBondContact N-O 3.4Å; Q97-R171 PolarHBondContact O-N 2.77Å
98	G	95.2	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.			trans	-74.3	177.4	177.9	0	0	0	0	0	113.5	Y100 A138 R171	G98-Y100 PolarHBondContact O-N 3.28Å; G98-A138 CarbonylContact C-O 3.56Å; G98-A138 WeakPolarHBondContact CA-O 3.41Å; G98-A138 PolarHBondContact N-O 2.85Å; G98-A138 VanDerWaalsContact O-O 3.09Å; G98-R171 PolarHBondContact O-NE 3.3Å; G98-R171 PolarHBondContact O-NH2 3.04Å
99	G	93.8	Very high	94.1	Very high	2 Å²	2	23.2 Å²	23.2	2%	0.021	14%	0.142	C	C	.	.			trans	-66.7	124	174	0	0	0	0	0	111.4	G68 G101 S102 D104 A138	G68-G99 WeakPolarHBondContact O-CA 3.34Å; G99-G101 PolarHBondContact O-N 3.2Å; G99-S102 PolarHBondContact O-N 3.45Å; G99-S102 PolarHBondContact O-OG 3.48Å; G99-S102 VanDerWaalsContact O-OG 3.12Å; G99-D104 PolarHBondContact N-O 3.09Å; G99-A138 WeakPolarHBondContact O-CB 3.39Å
100	Y	92.9	Very high	94	Very high	84 Å²	84	23.3 Å²	23.3	33%	0.329	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	129.6	-177	176.9	-105.4	0	0	0	112.3	R64 G68 G98 S102	R64-Y100 HydrophobicContact CB-CD1 3.97Å; R64-Y100 HydrophobicContact CB-CE1 4.2Å; R64-Y100 HydrophobicContact CB-CG 4.31Å; R64-Y100 HydrophobicContact CG-CD1 3.93Å; R64-Y100 HydrophobicContact CG-CD2 3.95Å; R64-Y100 HydrophobicContact CG-CE1 4.05Å; R64-Y100 HydrophobicContact CG-CE2 4.05Å; R64-Y100 HydrophobicContact CG-CG 3.88Å; R64-Y100 PolarHBondContact NH1-OH 2.93Å; G68-Y100 PolarHBondContact O-N 3.2Å; G98-Y100 PolarHBondContact O-N 3.28Å; Y100-S102 PolarHBondContact O-N 3.05Å
101	G	89.4	Confident	93.9	Very high	70 Å²	70	20.7 Å²	20.7	72%	0.722	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	15	176.1	0	0	0	0	0	114.8	G99	G99-G101 PolarHBondContact O-N 3.2Å
102	S	90.2	Very high	93.8	Very high	38 Å²	38	20.9 Å²	20.9	27%	0.266	13%	0.131	S	C	.	.	S	Bend	trans	-123	174.1	178.9	78.7	0	0	0	0	112.6	G99 Y100 D104 A138	G99-S102 PolarHBondContact O-N 3.45Å; G99-S102 PolarHBondContact O-OG 3.48Å; G99-S102 VanDerWaalsContact O-OG 3.12Å; Y100-S102 PolarHBondContact O-N 3.05Å; S102-D104 WeakPolarHBondContact OG-CB 3.48Å; S102-D104 PolarHBondContact OG-N 3.18Å; S102-D104 VanDerWaalsContact OG-N 3.09Å; S102-A138 WeakPolarHBondContact O-CB 3.4Å
103	S	92.7	Very high	93.8	Very high	51 Å²	51	21.8 Å²	21.8	36%	0.357	13%	0.134	S	C	.	.	S	Bend	trans	-86.5	11.2	169	53	0	0	0	0	113.1	W105 N163	S103-W105 VanDerWaalsContact C-CZ3 3.48Å; S103-W105 VanDerWaalsContact CA-CZ3 3.48Å; S103-W105 VanDerWaalsContact O-CE3 3.28Å; S103-W105 WeakPolarHBondContact O-CZ3 3.36Å; S103-N163 WeakPolarHBondContact O-CB 3.25Å; S103-N163 PolarHBondContact O-ND2 2.85Å
104	D	94.7	Very high	93.7	Very high	21 Å²	21	22 Å²	22	11%	0.112	14%	0.136	C	C	.	.			trans	-101	105	-166.2	-55.5	-22.9	0	0	0	110.4	G99 S102 R167 G169	G99-D104 PolarHBondContact N-O 3.09Å; S102-D104 WeakPolarHBondContact OG-CB 3.48Å; S102-D104 PolarHBondContact OG-N 3.18Å; S102-D104 VanDerWaalsContact OG-N 3.09Å; D104-R167 CarbonylContact C-O 3.51Å; D104-R167 VanDerWaalsContact CA-O 3.25Å; D104-R167 WeakPolarHBondContact CA-O 3.2Å; D104-R167 HydrophobicContact CB-CB 4.29Å; D104-R167 WeakPolarHBondContact CB-O 3.04Å; D104-R167 PolarHBondContact OD1-N 3.27Å; D104-G169 WeakPolarHBondContact O-CA 3.38Å
105	W	96.2	Very high	93.4	Very high	43 Å²	43	23.5 Å²	23.5	16%	0.163	14%	0.144	C	C	.	.			trans	-152	151.5	177.1	64.4	83.8	0	0	0	111.9	S103 N135 T136 A138 W162 N163 R167 G169	S103-W105 VanDerWaalsContact C-CZ3 3.48Å; S103-W105 VanDerWaalsContact CA-CZ3 3.48Å; S103-W105 VanDerWaalsContact O-CE3 3.28Å; S103-W105 WeakPolarHBondContact O-CZ3 3.36Å; W105-N135 HydrophobicContact CB-CB 4.21Å; W105-N135 HydrophobicContact CG-CB 4.47Å; W105-T136 WeakPolarHBondContact CZ2-O 3.36Å; W105-A138 HydrophobicContact CE3-CB 4.38Å; W105-W162 VanDerWaalsContact O-CA 3.27Å; W105-W162 WeakPolarHBondContact O-CA 3.39Å; W105-W162 WeakPolarHBondContact O-CB 3.31Å; W105-N163 HydrophobicContact CD2-CB 3.92Å; W105-N163 HydrophobicContact CE3-CB 4.5Å; W105-N163 HydrophobicContact CG-CB 4.35Å; W105-N163 HydrophobicContact CH2-CB 4.36Å; W105-N163 WeakPolarHBondContact CH2-ND2 3.44Å; W105-N163 HydrophobicContact CZ2-CB 3.74Å; W105-N163 VanDerWaalsContact CZ2-ND2 3.26Å; W105-N163 WeakPolarHBondContact CZ2-ND2 3.35Å; W105-N163 PolarHBondContact O-N 3.1Å; W105-R167 PolarHBondContact N-O 2.56Å; W105-G169 WeakPolarHBondContact CA-O 3.45Å
106	V	96.4	Very high	92.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.6	179.6	173.1	0	0	0	0	109.6	S108 G134 N135 P159 A161 I168 M170	V106-S108 WeakPolarHBondContact CG1-O 3.42Å; V106-G134 CarbonylContact O-C 3.56Å; V106-G134 WeakPolarHBondContact O-CA 3.47Å; V106-N135 PolarHBondContact O-N 3.25Å; V106-P159 HydrophobicContact CG1-CB 4.01Å; V106-P159 HydrophobicContact CG2-CB 3.82Å; V106-P159 HydrophobicContact CG2-CG 3.99Å; V106-A161 CarbonylContact C-O 3.58Å; V106-A161 WeakPolarHBondContact CG1-O 3.37Å; V106-I168 HydrophobicContact CG2-CG2 3.89Å; V106-M170 HydrophobicContact CB-CE 4.36Å; V106-M170 HydrophobicContact CB-CG 4.09Å; V106-M170 HydrophobicContact CB-SD 4.24Å; V106-M170 HydrophobicContact CG1-CE 4.46Å; V106-M170 HydrophobicContact CG2-CE 4.47Å; V106-M170 HydrophobicContact CG2-CG 3.45Å; V106-M170 VanDerWaalsContact CG2-CG 3.45Å; V106-M170 HydrophobicContact CG2-SD 3.71Å
107	T	92.6	Very high	92.6	Very high	53 Å²	53	25.5 Å²	25.5	33%	0.325	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-18.7	-179.1	56.8	0	0	0	0	112.7	G134 N135 A161 W162	T107-G134 WeakPolarHBondContact O-CA 3.27Å; T107-G134 PolarHBondContact O-N 2.93Å; T107-N135 WeakPolarHBondContact CG2-O 3.42Å; T107-A161 PolarHBondContact N-O 2.58Å; T107-A161 VanDerWaalsContact OG1-C 3.23Å; T107-A161 WeakPolarHBondContact OG1-CB 3.37Å; T107-A161 PolarHBondContact OG1-O 3.05Å; T107-W162 PolarHBondContact OG1-N 3.48Å
108	S	91.4	Very high	92.2	Very high	30 Å²	30	29.9 Å²	29.9	21%	0.21	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	147.5	171.4	59	0	0	0	0	111.9	V106 F132 L160 A161	V106-S108 WeakPolarHBondContact CG1-O 3.42Å; S108-F132 CarbonylContact C-O 3.56Å; S108-F132 WeakPolarHBondContact CA-O 3.41Å; S108-F132 WeakPolarHBondContact CB-O 3.48Å; S108-L160 PolarHBondContact O-N 2.81Å; S108-A161 PolarHBondContact N-O 3.09Å; S108-A161 PolarHBondContact O-N 2.98Å; S108-A161 WeakPolarHBondContact OG-CB 3.39Å; S108-A161 PolarHBondContact OG-N 3.37Å
109	Y	92.1	Very high	91.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.7	-176.6	62.6	-83.5	0	0	0	113.2	T96 G131 F132 F157 L158	T96-Y109 HydrophobicContact CG2-CD1 4.25Å; T96-Y109 HydrophobicContact CG2-CE1 3.58Å; T96-Y109 HydrophobicContact CG2-CE2 4.33Å; Y109-G131 CarbonylContact O-C 3.48Å; Y109-G131 VanDerWaalsContact O-CA 3.25Å; Y109-G131 WeakPolarHBondContact O-CA 3.47Å; Y109-F132 HydrophobicContact CD1-CB 4.17Å; Y109-F132 HydrophobicContact CD2-CB 4.17Å; Y109-F132 HydrophobicContact CD2-CD2 4.49Å; Y109-F132 HydrophobicContact CE1-CB 3.71Å; Y109-F132 HydrophobicContact CE2-CB 3.72Å; Y109-F132 HydrophobicContact CE2-CD2 4.14Å; Y109-F132 HydrophobicContact CE2-CG 4.01Å; Y109-F132 HydrophobicContact CG-CB 4.38Å; Y109-F132 VanDerWaalsContact CZ-CB 3.47Å; Y109-F132 PolarHBondContact N-O 2.77Å; Y109-F132 PolarHBondContact O-N 2.86Å; Y109-F157 AromaticContact CD2-CD1 3.79Å; Y109-F157 HydrophobicContact CD2-CD1 3.79Å; Y109-F157 AromaticContact CE2-CD1 3.7Å; Y109-F157 HydrophobicContact CE2-CD1 3.7Å; Y109-F157 AromaticContact CE2-CE1 3.98Å; Y109-F157 HydrophobicContact CE2-CE1 3.98Å; Y109-L158 CarbonylContact C-O 3.59Å; Y109-L158 WeakPolarHBondContact CA-O 3.48Å; Y109-L158 WeakPolarHBondContact CB-O 3.15Å
110	L	90.9	Very high	91.8	Very high	24 Å²	24	30.7 Å²	30.7	13%	0.126	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.9	164.8	-60.7	174.4	0	0	0	110.3	F157 L158 L160	L110-F157 WeakPolarHBondContact O-CA 3.48Å; L110-L158 HydrophobicContact CB-CB 4.24Å; L110-L158 PolarHBondContact N-O 3.44Å; L110-L158 PolarHBondContact O-N 2.97Å; L110-L160 HydrophobicContact CD1-CD2 3.82Å; L110-L160 HydrophobicContact CD2-CD1 3.86Å; L110-L160 HydrophobicContact CG-CD1 3.79Å; L110-L160 HydrophobicContact CG-CD2 3.73Å; L110-L160 HydrophobicContact CG-CG 3.93Å
111	L	93.1	Very high	91.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.7	170.8	-173.4	65.4	0	0	0	109.3	V94 Y123 F132 L146 F150 L155 F157	V94-L111 HydrophobicContact CG1-CD1 4.47Å; V94-L111 HydrophobicContact CG1-CD2 4.03Å; V94-L111 HydrophobicContact CG2-CD2 4.44Å; L111-Y123 PolarHBondContact O-N 2.64Å; L111-F132 HydrophobicContact CB-CD2 4.07Å; L111-F132 HydrophobicContact CB-CE2 3.56Å; L111-F132 HydrophobicContact CB-CZ 4.23Å; L111-F132 HydrophobicContact CD2-CE2 4.48Å; L111-F132 HydrophobicContact CD2-CZ 4.34Å; L111-L146 HydrophobicContact CD2-CD1 4.45Å; L111-L146 HydrophobicContact CD2-CD2 4.01Å; L111-F150 HydrophobicContact CD2-CE1 4.05Å; L111-F150 HydrophobicContact CD2-CZ 4.11Å; L111-L155 HydrophobicContact CD1-CD2 4.33Å; L111-F157 HydrophobicContact CD1-CD1 4.07Å; L111-F157 HydrophobicContact CD1-CD2 4.42Å; L111-F157 HydrophobicContact CD1-CE1 3.82Å; L111-F157 HydrophobicContact CD1-CE2 4.17Å; L111-F157 HydrophobicContact CD1-CG 4.36Å; L111-F157 HydrophobicContact CD1-CZ 3.87Å
112	M	93.3	Very high	91.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.02	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.7	174.3	-54.5	-72.8	-65.1	0	0	109.5	W120 K121 Q122 L155 R156 L158	M112-W120 HydrophobicContact CB-CB 4.24Å; M112-W120 HydrophobicContact CB-CE3 3.84Å; M112-W120 HydrophobicContact CE-CB 3.55Å; M112-K121 CarbonylContact C-O 3.55Å; M112-K121 VanDerWaalsContact CA-O 3.24Å; M112-K121 WeakPolarHBondContact CA-O 3.31Å; M112-Q122 HydrophobicContact CE-CB 4.16Å; M112-Q122 WeakPolarHBondContact SD-CA 3.16Å; M112-Q122 HydrophobicContact SD-CB 3.5Å; M112-Q122 WeakPolarHBondContact SD-CB 3.15Å; M112-Q122 HydrophobicContact SD-CG 3.85Å; M112-L155 CarbonylContact O-C 3.22Å; M112-L155 WeakPolarHBondContact O-CA 3.45Å; M112-R156 HydrophobicContact CB-CB 4.21Å; M112-R156 PolarHBondContact N-O 2.64Å; M112-R156 PolarHBondContact O-N 3.17Å; M112-L158 HydrophobicContact CB-CD1 4.2Å; M112-L158 HydrophobicContact CG-CD1 3.36Å
113	F	94.1	Very high	91.6	Very high	30 Å²	30	25.9 Å²	25.9	13%	0.132	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.5	177.2	66.2	-85.5	0	0	0	112.2	K121 F150 A152 F154	F113-K121 HydrophobicContact CD1-CB 4.38Å; F113-K121 WeakPolarHBondContact CD1-O 3.47Å; F113-K121 HydrophobicContact CD2-CB 4.47Å; F113-K121 HydrophobicContact CE1-CB 3.92Å; F113-K121 HydrophobicContact CE1-CG 3.95Å; F113-K121 HydrophobicContact CE2-CB 4.02Å; F113-K121 HydrophobicContact CE2-CD 4.29Å; F113-K121 HydrophobicContact CE2-CG 4.36Å; F113-K121 HydrophobicContact CZ-CB 3.73Å; F113-K121 HydrophobicContact CZ-CD 3.81Å; F113-K121 HydrophobicContact CZ-CG 3.67Å; F113-K121 PolarHBondContact N-O 2.97Å; F113-K121 PolarHBondContact O-N 2.93Å; F113-F150 HydrophobicContact CB-CD2 4.09Å; F113-F150 HydrophobicContact CB-CE2 3.4Å; F113-F150 HydrophobicContact CB-CZ 4.06Å; F113-F150 HydrophobicContact CD1-CD2 4.11Å; F113-F150 AromaticContact CD1-CE2 3.96Å; F113-F150 HydrophobicContact CD1-CE2 3.96Å; F113-F150 HydrophobicContact CD1-CZ 4.32Å; F113-F150 AromaticContact CD2-CD2 3.88Å; F113-F150 HydrophobicContact CD2-CD2 3.88Å; F113-F150 HydrophobicContact CD2-CE2 4.09Å; F113-F150 HydrophobicContact CE2-CD2 4.31Å; F113-F150 AromaticContact CG-CD2 3.77Å; F113-F150 HydrophobicContact CG-CD2 3.77Å; F113-F150 AromaticContact CG-CE2 3.56Å; F113-F150 HydrophobicContact CG-CE2 3.56Å; F113-F150 HydrophobicContact CG-CZ 4.3Å; F113-A152 HydrophobicContact CB-CB 3.81Å; F113-A152 HydrophobicContact CD2-CB 4.1Å; F113-A152 HydrophobicContact CG-CB 4.37Å; F113-F154 VanDerWaalsContact CA-O 3.26Å; F113-F154 WeakPolarHBondContact CA-O 3.28Å
114	S	93.1	Very high	90.9	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.035	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	154.9	177.7	175.5	0	0	0	0	110.6	G116 G117 R118 R153 F154	S114-G116 PolarHBondContact OG-N 3.21Å; S114-G116 VanDerWaalsContact OG-N 3.13Å; S114-G117 PolarHBondContact OG-N 2.97Å; S114-G117 VanDerWaalsContact OG-N 3.08Å; S114-R118 PolarHBondContact OG-N 2.75Å; S114-R118 PolarHBondContact OG-O 2.83Å; S114-R153 PolarHBondContact O-N 3.17Å; S114-F154 PolarHBondContact N-O 3.23Å; S114-F154 WeakPolarHBondContact O-CB 3.2Å; S114-F154 PolarHBondContact O-N 3.48Å
115	D	89.4	Confident	89.5	Confident	31 Å²	31	30.5 Å²	30.5	17%	0.166	15%	0.148	C	C	.	.	S	Bend	trans	-90.3	-21.2	171.1	-66.6	-33.1	0	0	0	113.1	R88 F154 W272 Q366	R88-D115 IonicContact CZ-OD2 3.31Å; R88-D115 IonicContact NE-OD1 2.68Å; R88-D115 PolarHBondContact NE-OD1 3.44Å; R88-D115 IonicContact NE-OD2 3.12Å; D115-F154 WeakPolarHBondContact O-CE2 3.39Å; D115-W272 PolarHBondContact OD2-NE1 2.86Å; D115-Q366 PolarHBondContact O-NE2 2.91Å
116	G	87.8	Confident	87.7	Confident	27 Å²	27	32.3 Å²	32.3	28%	0.278	16%	0.159	S	C	.	.	S	Bend	trans	-119	1.9	-174.4	0	0	0	0	0	114.8	S114 R118	S114-G116 PolarHBondContact OG-N 3.21Å; S114-G116 VanDerWaalsContact OG-N 3.13Å; G116-R118 PolarHBondContact O-N 3.01Å
117	G	88.4	Confident	85.8	Confident	16 Å²	16	35.9 Å²	35.9	17%	0.165	18%	0.175	C	C	.	.	S	Bend	trans	71.9	8.6	-175.7	0	0	0	0	0	114.1	S114 W120	S114-G117 PolarHBondContact OG-N 2.97Å; S114-G117 VanDerWaalsContact OG-N 3.08Å; G117-W120 WeakPolarHBondContact O-CZ2 3.4Å; G117-W120 PolarHBondContact O-NE1 2.95Å; G117-W120 VanDerWaalsContact O-NE1 3.15Å
118	R	88.8	Confident	84	Confident	99 Å²	99	33.5 Å²	33.5	37%	0.374	16%	0.161	S	C	.	.	S	Bend	trans	-134.9	165.3	175.2	-66.2	-175	-178.5	-105.7	1.4	109.8	S114 G116 V370 D543	S114-R118 PolarHBondContact OG-N 2.75Å; S114-R118 PolarHBondContact OG-O 2.83Å; G116-R118 PolarHBondContact O-N 3.01Å; R118-V370 VanDerWaalsContact NH1-CG2 3.28Å; R118-D543 WeakPolarHBondContact CA-OD2 3.39Å
119	N	88.7	Confident	82.2	Confident	13 Å²	13	34 Å²	34	7%	0.07	16%	0.161	C	C	.	.	S	Bend	trans	48.6	72.1	-176.6	-173.5	38.9	0	0	0	110.4	D269 H271 P371 D543	N119-D269 PolarHBondContact ND2-O 3.46Å; N119-H271 PolarHBondContact ND2-CE1 3.16Å; N119-H271 VanDerWaalsContact ND2-CE1 3.26Å; N119-H271 PolarHBondContact O-CE1 2.84Å; N119-H271 PolarHBondContact O-NE2 2.9Å; N119-P371 WeakPolarHBondContact OD1-CG 3.35Å; N119-D543 CarbonylContact C-O 3.58Å; N119-D543 PolarHBondContact N-OD1 3.06Å
120	W	91.6	Very high	80.8	Confident	6 Å²	6	41.7 Å²	41.7	2%	0.023	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-78.1	136.9	-172.6	-65.7	79	0	0	0	111.7	Q82 M112 G117 F154 R156 D543 S544	Q82-W120 HydrophobicContact CG-CH2 3.87Å; Q82-W120 HydrophobicContact CG-CZ2 4.41Å; M112-W120 HydrophobicContact CB-CB 4.24Å; M112-W120 HydrophobicContact CB-CE3 3.84Å; M112-W120 HydrophobicContact CE-CB 3.55Å; G117-W120 WeakPolarHBondContact O-CZ2 3.4Å; G117-W120 PolarHBondContact O-NE1 2.95Å; G117-W120 VanDerWaalsContact O-NE1 3.15Å; W120-F154 HydrophobicContact CH2-CB 3.58Å; W120-F154 HydrophobicContact CZ2-CB 4.41Å; W120-F154 HydrophobicContact CZ3-CB 3.97Å; W120-R156 VanDerWaalsContact CD1-NH1 3.31Å; W120-R156 HydrophobicContact CD2-CB 4.44Å; W120-R156 HydrophobicContact CE3-CB 3.78Å; W120-R156 HydrophobicContact CH2-CB 3.7Å; W120-R156 HydrophobicContact CZ2-CB 4.42Å; W120-R156 VanDerWaalsContact CZ2-CZ 3.43Å; W120-R156 HydrophobicContact CZ3-CB 3.37Å; W120-R156 VanDerWaalsContact NE1-NH1 3.16Å; W120-D543 VanDerWaalsContact CD1-CG 3.49Å; W120-D543 PolarHBondContact N-O 2.91Å; W120-D543 PolarHBondContact NE1-OD2 2.8Å; W120-S544 WeakPolarHBondContact O-CB 3.47Å
121	K	90.3	Very high	79.9	Confident	51 Å²	51	41.5 Å²	41.5	22%	0.222	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.5	169.9	-165.9	153.9	-179.2	161.6	0	110.1	M112 F113 D269 H271 H273	M112-K121 CarbonylContact C-O 3.55Å; M112-K121 VanDerWaalsContact CA-O 3.24Å; M112-K121 WeakPolarHBondContact CA-O 3.31Å; F113-K121 HydrophobicContact CD1-CB 4.38Å; F113-K121 WeakPolarHBondContact CD1-O 3.47Å; F113-K121 HydrophobicContact CD2-CB 4.47Å; F113-K121 HydrophobicContact CE1-CB 3.92Å; F113-K121 HydrophobicContact CE1-CG 3.95Å; F113-K121 HydrophobicContact CE2-CB 4.02Å; F113-K121 HydrophobicContact CE2-CD 4.29Å; F113-K121 HydrophobicContact CE2-CG 4.36Å; F113-K121 HydrophobicContact CZ-CB 3.73Å; F113-K121 HydrophobicContact CZ-CD 3.81Å; F113-K121 HydrophobicContact CZ-CG 3.67Å; F113-K121 PolarHBondContact N-O 2.97Å; F113-K121 PolarHBondContact O-N 2.93Å; K121-D269 IonicContact NZ-OD2 2.8Å; K121-D269 PolarHBondContact NZ-OD2 2.76Å; K121-H271 HydrophobicContact CD-CB 3.84Å; K121-H273 PolarHBondContact NZ-CE1 2.68Å
122	Q	89.1	Confident	79.5	Confident	22 Å²	22	42.2 Å²	42.2	10%	0.103	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.2	171.7	-173.5	-178.6	-25.3	0	0	109.6	M112 R124 I129	M112-Q122 HydrophobicContact CE-CB 4.16Å; M112-Q122 WeakPolarHBondContact SD-CA 3.16Å; M112-Q122 HydrophobicContact SD-CB 3.5Å; M112-Q122 WeakPolarHBondContact SD-CB 3.15Å; M112-Q122 HydrophobicContact SD-CG 3.85Å; Q122-R124 HydrophobicContact CG-CG 4.42Å; Q122-R124 PolarHBondContact O-N 2.79Å; Q122-I129 VanDerWaalsContact NE2-CG2 3.34Å; Q122-I129 PolarHBondContact NE2-O 2.77Å
123	Y	88.3	Confident	79.1	Confident	17 Å²	17	45.6 Å²	45.6	7%	0.067	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-72.7	124.7	166.5	-176.5	-85.5	0	0	0	109.9	L111 F132 L146 Q147 P148 F150	L111-Y123 PolarHBondContact O-N 2.64Å; Y123-F132 HydrophobicContact CD1-CE1 4.41Å; Y123-F132 AromaticContact CD1-CE2 3.94Å; Y123-F132 HydrophobicContact CD1-CE2 3.94Å; Y123-F132 AromaticContact CD1-CZ 3.35Å; Y123-F132 HydrophobicContact CD1-CZ 3.35Å; Y123-F132 HydrophobicContact CE1-CE1 4.37Å; Y123-F132 AromaticContact CE1-CZ 3.7Å; Y123-F132 HydrophobicContact CE1-CZ 3.7Å; Y123-F132 HydrophobicContact CG-CZ 4.28Å; Y123-L146 HydrophobicContact CD1-CD2 4.18Å; Y123-L146 HydrophobicContact CE1-CD2 3.73Å; Y123-L146 HydrophobicContact CE2-CB 4.46Å; Y123-L146 HydrophobicContact CE2-CD2 4.13Å; Y123-L146 HydrophobicContact CG-CD2 4.49Å; Y123-Q147 VanDerWaalsContact OH-C 3.26Å; Y123-Q147 PolarHBondContact OH-N 3.11Å; Y123-Q147 PolarHBondContact OH-O 2.77Å; Y123-P148 WeakPolarHBondContact CE2-O 3.15Å; Y123-P148 PolarHBondContact OH-O 2.72Å; Y123-F150 AromaticContact CD2-CD1 3.35Å; Y123-F150 HydrophobicContact CD2-CD1 3.35Å; Y123-F150 AromaticContact CD2-CE1 3.58Å; Y123-F150 HydrophobicContact CD2-CE1 3.58Å; Y123-F150 HydrophobicContact CD2-CG 4.19Å; Y123-F150 AromaticContact CE2-CD1 3.48Å; Y123-F150 HydrophobicContact CE2-CD1 3.48Å; Y123-F150 VanDerWaalsContact CE2-CD1 3.48Å; Y123-F150 AromaticContact CE2-CE1 3.99Å; Y123-F150 HydrophobicContact CE2-CE1 3.99Å; Y123-F150 HydrophobicContact CE2-CG 4.42Å; Y123-F150 HydrophobicContact CG-CD1 4.49Å; Y123-F150 HydrophobicContact CG-CE1 4.34Å
124	R	78.1	Confident	78.9	Confident	69 Å²	69	44.6 Å²	44.6	26%	0.26	22%	0.217	S	C	.	.			trans	-120.8	132.9	-179.6	-64.1	-176.9	-177.6	173.3	-1.6	110.9	Q122 T548	Q122-R124 HydrophobicContact CG-CG 4.42Å; Q122-R124 PolarHBondContact O-N 2.79Å; R124-T548 PolarHBondContact NH1-OG1 3.06Å; R124-T548 PolarHBondContact NH2-OG1 2.85Å
125	R	66.3	Low	79	Confident	101 Å²	101	44.4 Å²	44.4	38%	0.381	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-99.2	125	174.9	-176.4	-178.1	78.4	-170.4	1.4	109.1	E127 S128 Y144 H906	R125-E127 PolarHBondContact O-N 3.33Å; R125-S128 WeakPolarHBondContact O-CB 3.39Å; R125-S128 PolarHBondContact O-N 2.88Å; R125-Y144 WeakPolarHBondContact CD-OH 3.37Å; R125-Y144 PolarHBondContact NH1-OH 2.87Å; R125-H906 PolarHBondContact NH2-CE1 3.06Å; R125-H906 VanDerWaalsContact NH2-CE1 3.34Å; R125-H906 PolarHBondContact NH2-NE2 2.84Å
126	E	58.8	Low	79.2	Confident	81 Å²	81	48.2 Å²	48.2	38%	0.379	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	41.7	175.1	-61.5	173.6	150.4	0	0	113.2	S128 Q910	E126-S128 PolarHBondContact O-N 3.49Å; E126-Q910 PolarHBondContact OE1-NE2 2.93Å
127	E	56.5	Low	79.4	Confident	74 Å²	74	49.9 Å²	49.9	35%	0.346	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	-0.9	-177.3	-50.4	-172.3	-178.8	0	0	116.5	R125 H291 Y555	R125-E127 PolarHBondContact O-N 3.33Å; E127-H291 IonicContact OE1-CD2 2.6Å; E127-H291 IonicContact OE1-CE1 3.84Å; E127-H291 IonicContact OE1-NE2 3.76Å; E127-H291 PolarHBondContact OE1-NE2 3.13Å; E127-Y555 PolarHBondContact OE2-OH 3.05Å
128	S	54	Low	79.5	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.028	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-77.7	137.7	175.9	-177.3	0	0	0	0	112.9	R125 E126 W130 H906	R125-S128 WeakPolarHBondContact O-CB 3.39Å; R125-S128 PolarHBondContact O-N 2.88Å; E126-S128 PolarHBondContact O-N 3.49Å; S128-W130 PolarHBondContact OG-N 2.64Å; S128-H906 WeakPolarHBondContact CB-CE1 3.25Å; S128-H906 PolarHBondContact OG-NE2 3.4Å
129	I	54.3	Low	79.6	Confident	39 Å²	39	49.1 Å²	49.1	20%	0.2	24%	0.244	C	C	.	.			trans	-91.4	-2.5	176.5	-48.6	-172.3	0	0	0	111	Q122 D904	Q122-I129 VanDerWaalsContact NE2-CG2 3.34Å; Q122-I129 PolarHBondContact NE2-O 2.77Å; I129-D904 HydrophobicContact CB-CB 4.27Å; I129-D904 HydrophobicContact CD1-CB 3.82Å; I129-D904 HydrophobicContact CG1-CB 4.13Å
130	W	61	Low	79.7	Confident	162 Å²	162	50.4 Å²	50.4	61%	0.614	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-65.6	147	-176.4	-85.3	83.2	0	0	0	113.6	S128 D904	S128-W130 PolarHBondContact OG-N 2.64Å; W130-D904 VanDerWaalsContact CD1-O 3.31Å; W130-D904 PolarHBondContact NE1-O 2.94Å
131	G	72.2	Confident	79.9	Confident	21 Å²	21	53 Å²	53	22%	0.216	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-72.2	152.9	-178.9	0	0	0	0	0	114.2	Y109	Y109-G131 CarbonylContact O-C 3.48Å; Y109-G131 VanDerWaalsContact O-CA 3.25Å; Y109-G131 WeakPolarHBondContact O-CA 3.47Å
132	F	84.6	Confident	80.1	Confident	14 Å²	14	52.3 Å²	52.3	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.1	172.6	-69.3	-97.2	0	0	0	110.3	S108 Y109 L111 Y123 G134 Y144 L146	S108-F132 CarbonylContact C-O 3.56Å; S108-F132 WeakPolarHBondContact CA-O 3.41Å; S108-F132 WeakPolarHBondContact CB-O 3.48Å; Y109-F132 HydrophobicContact CD1-CB 4.17Å; Y109-F132 HydrophobicContact CD2-CB 4.17Å; Y109-F132 HydrophobicContact CD2-CD2 4.49Å; Y109-F132 HydrophobicContact CE1-CB 3.71Å; Y109-F132 HydrophobicContact CE2-CB 3.72Å; Y109-F132 HydrophobicContact CE2-CD2 4.14Å; Y109-F132 HydrophobicContact CE2-CG 4.01Å; Y109-F132 HydrophobicContact CG-CB 4.38Å; Y109-F132 VanDerWaalsContact CZ-CB 3.47Å; Y109-F132 PolarHBondContact N-O 2.77Å; Y109-F132 PolarHBondContact O-N 2.86Å; L111-F132 HydrophobicContact CB-CD2 4.07Å; L111-F132 HydrophobicContact CB-CE2 3.56Å; L111-F132 HydrophobicContact CB-CZ 4.23Å; L111-F132 HydrophobicContact CD2-CE2 4.48Å; L111-F132 HydrophobicContact CD2-CZ 4.34Å; Y123-F132 HydrophobicContact CD1-CE1 4.41Å; Y123-F132 AromaticContact CD1-CE2 3.94Å; Y123-F132 HydrophobicContact CD1-CE2 3.94Å; Y123-F132 AromaticContact CD1-CZ 3.35Å; Y123-F132 HydrophobicContact CD1-CZ 3.35Å; Y123-F132 HydrophobicContact CE1-CE1 4.37Å; Y123-F132 AromaticContact CE1-CZ 3.7Å; Y123-F132 HydrophobicContact CE1-CZ 3.7Å; Y123-F132 HydrophobicContact CG-CZ 4.28Å; F132-G134 PolarHBondContact O-N 3.35Å; F132-Y144 AromaticContact CD1-CD1 3.63Å; F132-Y144 HydrophobicContact CD1-CD1 3.63Å; F132-Y144 AromaticContact CD1-CD2 3.99Å; F132-Y144 HydrophobicContact CD1-CD2 3.99Å; F132-Y144 AromaticContact CD1-CE1 3.77Å; F132-Y144 HydrophobicContact CD1-CE1 3.77Å; F132-Y144 HydrophobicContact CD1-CE2 4.09Å; F132-Y144 AromaticContact CD1-CG 3.76Å; F132-Y144 HydrophobicContact CD1-CG 3.76Å; F132-Y144 AromaticContact CD1-CZ 3.98Å; F132-Y144 AromaticContact CE1-CD1 3.42Å; F132-Y144 HydrophobicContact CE1-CD1 3.42Å; F132-Y144 VanDerWaalsContact CE1-CD1 3.42Å; F132-Y144 AromaticContact CE1-CE1 3.38Å; F132-Y144 HydrophobicContact CE1-CE1 3.38Å; F132-Y144 HydrophobicContact CE1-CG 4.05Å; F132-Y144 AromaticContact CE1-CZ 3.95Å; F132-L146 HydrophobicContact CE1-CD2 3.84Å; F132-L146 HydrophobicContact CZ-CD2 3.81Å
133	P	86.5	Confident	80.3	Confident	75 Å²	75	56.3 Å²	56.3	49%	0.487	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	133	169.6	28	-33.3	0	0	0	109.5	Y144	P133-Y144 HydrophobicContact CG-CD2 4.5Å
134	G	89.8	Confident	80.5	Confident	9 Å²	9	57.4 Å²	57.4	9%	0.093	29%	0.293	C	S	.	.			trans	-101.1	-151.8	175.1	0	0	0	0	0	111.8	V106 T107 F132	V106-G134 CarbonylContact O-C 3.56Å; V106-G134 WeakPolarHBondContact O-CA 3.47Å; T107-G134 WeakPolarHBondContact O-CA 3.27Å; T107-G134 PolarHBondContact O-N 2.93Å; F132-G134 PolarHBondContact O-N 3.35Å
135	N	94.8	Very high	81	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.011	30%	0.304	C	S	.	.			trans	-85.1	152.6	-173.3	-55	95.1	0	0	0	112.9	T96 Q97 W105 V106 T107 N137 S140	T96-N135 PolarHBondContact O-ND2 3.15Å; T96-N135 PolarHBondContact OG1-OD1 3.44Å; Q97-N135 VanDerWaalsContact CA-ND2 3.3Å; Q97-N135 WeakPolarHBondContact CA-ND2 3.25Å; Q97-N135 PolarHBondContact N-OD1 2.85Å; W105-N135 HydrophobicContact CB-CB 4.21Å; W105-N135 HydrophobicContact CG-CB 4.47Å; V106-N135 PolarHBondContact O-N 3.25Å; T107-N135 WeakPolarHBondContact CG2-O 3.42Å; N135-N137 WeakPolarHBondContact CB-O 3.49Å; N135-S140 PolarHBondContact ND2-O 2.81Å
136	T	93.3	Very high	82.2	Confident	110 Å²	110	55.7 Å²	55.7	68%	0.675	29%	0.287	S	S	*	.	S	Bend	trans	-100.8	-8.8	170.4	53.7	0	0	0	0	112.9	W105	W105-T136 WeakPolarHBondContact CZ2-O 3.36Å
137	N	92.1	Very high	83.4	Confident	62 Å²	62	58.5 Å²	58.5	33%	0.332	30%	0.3	S	S	.	.	S	Bend	trans	-157.2	-179	179	60.9	42.3	0	0	0	111	N135 D139 S140	N135-N137 WeakPolarHBondContact CB-O 3.49Å; N137-D139 PolarHBondContact OD1-N 2.85Å; N137-D139 VanDerWaalsContact OD1-N 3.13Å; N137-S140 VanDerWaalsContact CG-OG 3.32Å; N137-S140 PolarHBondContact ND2-OG 3.12Å; N137-S140 WeakPolarHBondContact OD1-CB 3.34Å; N137-S140 PolarHBondContact OD1-N 3.13Å; N137-S140 PolarHBondContact OD1-OG 2.73Å
138	A	90.3	Very high	84.8	Confident	7 Å²	7	57.3 Å²	57.3	6%	0.058	30%	0.298	C	S	.	.	S	Bend	trans	-72.4	-29.1	-179.9	0	0	0	0	0	115.6	Q97 G98 G99 S102 W105 R171	Q97-A138 WeakPolarHBondContact CG-O 3.34Å; G98-A138 CarbonylContact C-O 3.56Å; G98-A138 WeakPolarHBondContact CA-O 3.41Å; G98-A138 PolarHBondContact N-O 2.85Å; G98-A138 VanDerWaalsContact O-O 3.09Å; G99-A138 WeakPolarHBondContact O-CB 3.39Å; S102-A138 WeakPolarHBondContact O-CB 3.4Å; W105-A138 HydrophobicContact CE3-CB 4.38Å; A138-R171 PolarHBondContact O-NH2 3.2Å
139	D	90.3	Very high	86.5	Confident	93 Å²	93	59.7 Å²	59.7	50%	0.497	31%	0.314	S	S	.	.	S	Bend	trans	-108.2	-28.1	-162.8	-63.4	-58.7	0	0	0	114.3	Q97 N137	Q97-D139 PolarHBondContact NE2-O 2.82Å; N137-D139 PolarHBondContact OD1-N 2.85Å; N137-D139 VanDerWaalsContact OD1-N 3.13Å
140	S	92.3	Very high	88.3	Confident	39 Å²	39	58.5 Å²	58.5	27%	0.273	31%	0.307	S	S	.	.			trans	-68.4	132.6	179.6	62.3	0	0	0	0	111.3	N135 N137	N135-S140 PolarHBondContact ND2-O 2.81Å; N137-S140 VanDerWaalsContact CG-OG 3.32Å; N137-S140 PolarHBondContact ND2-OG 3.12Å; N137-S140 WeakPolarHBondContact OD1-CB 3.34Å; N137-S140 PolarHBondContact OD1-N 3.13Å; N137-S140 PolarHBondContact OD1-OG 2.73Å
141	V	95.4	Very high	89.8	Confident	62 Å²	62	52.7 Å²	52.7	38%	0.376	29%	0.287	S	S	.	.			trans	-87.1	122.7	171.4	178.5	0	0	0	0	108.2	L61 A95 Q97	L61-V141 HydrophobicContact CD1-CG1 4.06Å; L61-V141 HydrophobicContact CD1-CG2 4.07Å; L61-V141 HydrophobicContact CD2-CG1 3.99Å; L61-V141 HydrophobicContact CD2-CG2 4.33Å; L61-V141 HydrophobicContact CG-CG2 4.32Å; A95-V141 HydrophobicContact CB-CG1 3.86Å; Q97-V141 HydrophobicContact CB-CG2 4.49Å; Q97-V141 HydrophobicContact CG-CG2 4.38Å
142	V	94.7	Very high	90.9	Very high	36 Å²	36	51.7 Å²	51.7	22%	0.218	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	108.3	171.1	175.8	0	0	0	0	107.2	A95 T96	A95-V142 CarbonylContact C-O 3.56Å; A95-V142 VanDerWaalsContact CA-O 3.23Å; A95-V142 WeakPolarHBondContact CA-O 3.45Å; T96-V142 PolarHBondContact N-O 3.32Å; T96-V142 PolarHBondContact O-N 3.07Å
143	H	93.8	Very high	91.3	Very high	105 Å²	105	54.7 Å²	54.7	49%	0.486	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.4	179.6	179.3	-80.6	0	0	0	109.8	A93 A95 Y175	A93-H143 WeakPolarHBondContact CB-NE2 3.39Å; A95-H143 HydrophobicContact CB-CB 4.43Å; H143-Y175 AromaticContact CD2-CE2 3.61Å; H143-Y175 AromaticContact NE2-CD2 3.81Å; H143-Y175 AromaticContact NE2-CE2 3.81Å
144	Y	90.6	Very high	91.7	Very high	41 Å²	41	52.1 Å²	52.1	16%	0.161	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.1	-178.9	-165.4	-79.1	0	0	0	110.8	A93 V94 R125 F132 P133 L146	A93-Y144 VanDerWaalsContact CA-O 3.3Å; A93-Y144 WeakPolarHBondContact CA-O 3.45Å; A93-Y144 VanDerWaalsContact CB-O 3.32Å; A93-Y144 WeakPolarHBondContact CB-O 3.33Å; V94-Y144 PolarHBondContact N-O 2.99Å; V94-Y144 PolarHBondContact O-N 2.8Å; R125-Y144 WeakPolarHBondContact CD-OH 3.37Å; R125-Y144 PolarHBondContact NH1-OH 2.87Å; F132-Y144 AromaticContact CD1-CD1 3.63Å; F132-Y144 HydrophobicContact CD1-CD1 3.63Å; F132-Y144 AromaticContact CD1-CD2 3.99Å; F132-Y144 HydrophobicContact CD1-CD2 3.99Å; F132-Y144 AromaticContact CD1-CE1 3.77Å; F132-Y144 HydrophobicContact CD1-CE1 3.77Å; F132-Y144 HydrophobicContact CD1-CE2 4.09Å; F132-Y144 AromaticContact CD1-CG 3.76Å; F132-Y144 HydrophobicContact CD1-CG 3.76Å; F132-Y144 AromaticContact CD1-CZ 3.98Å; F132-Y144 AromaticContact CE1-CD1 3.42Å; F132-Y144 HydrophobicContact CE1-CD1 3.42Å; F132-Y144 VanDerWaalsContact CE1-CD1 3.42Å; F132-Y144 AromaticContact CE1-CE1 3.38Å; F132-Y144 HydrophobicContact CE1-CE1 3.38Å; F132-Y144 HydrophobicContact CE1-CG 4.05Å; F132-Y144 AromaticContact CE1-CZ 3.95Å; P133-Y144 HydrophobicContact CG-CD2 4.5Å; Y144-L146 HydrophobicContact CD1-CD2 4.33Å
145	R	90.5	Very high	92.1	Very high	131 Å²	131	51.7 Å²	51.7	49%	0.494	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.9	174.2	-166	172.1	-168.2	127.1	13.5	109.6	D32	D32-R145 IonicContact OD1-NH2 2.96Å; D32-R145 PolarHBondContact OD1-NH2 2.91Å; D32-R145 IonicContact OD2-CZ 2.86Å; D32-R145 IonicContact OD2-NH1 3.62Å; D32-R145 PolarHBondContact OD2-NH1 3.01Å; D32-R145 IonicContact OD2-NH2 2.83Å; D32-R145 PolarHBondContact OD2-NH2 3.03Å
146	L	89.6	Confident	92.1	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.8	-179.1	-63.5	160.8	0	0	0	108.9	V91 T92 V94 L111 Y123 F132 Y144 P148 F150	V91-L146 HydrophobicContact CG1-CD1 3.67Å; T92-L146 WeakPolarHBondContact O-CB 3.23Å; T92-L146 PolarHBondContact O-N 3.14Å; V94-L146 HydrophobicContact CG1-CD1 4.27Å; L111-L146 HydrophobicContact CD2-CD1 4.45Å; L111-L146 HydrophobicContact CD2-CD2 4.01Å; Y123-L146 HydrophobicContact CD1-CD2 4.18Å; Y123-L146 HydrophobicContact CE1-CD2 3.73Å; Y123-L146 HydrophobicContact CE2-CB 4.46Å; Y123-L146 HydrophobicContact CE2-CD2 4.13Å; Y123-L146 HydrophobicContact CG-CD2 4.49Å; F132-L146 HydrophobicContact CE1-CD2 3.84Å; F132-L146 HydrophobicContact CZ-CD2 3.81Å; Y144-L146 HydrophobicContact CD1-CD2 4.33Å; L146-P148 CarbonylContact C-O 3.47Å; L146-P148 CarbonylContact O-C 3.53Å; L146-F150 HydrophobicContact CD1-CD1 4.12Å; L146-F150 HydrophobicContact CD1-CE1 3.56Å; L146-F150 HydrophobicContact CD1-CZ 4.48Å; L146-F150 HydrophobicContact CD2-CE1 4.43Å
147	Q	85.1	Confident	92.2	Very high	140 Å²	140	47.3 Å²	47.3	65%	0.654	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	108.1	178.5	-71.8	-171.7	-11.6	0	0	109.4	Y123	Y123-Q147 VanDerWaalsContact OH-C 3.26Å; Y123-Q147 PolarHBondContact OH-N 3.11Å; Y123-Q147 PolarHBondContact OH-O 2.77Å
148	P	85.1	Confident	92.2	Very high	49 Å²	49	45.9 Å²	45.9	32%	0.318	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-75.6	165.7	-4.5	32.2	-30.9	0	0	0	112.8	Y123 L146 K290	Y123-P148 WeakPolarHBondContact CE2-O 3.15Å; Y123-P148 PolarHBondContact OH-O 2.72Å; L146-P148 CarbonylContact C-O 3.47Å; L146-P148 CarbonylContact O-C 3.53Å; P148-K290 VanDerWaalsContact CD-CE 3.49Å; P148-K290 HydrophobicContact CG-CD 3.76Å; P148-K290 VanDerWaalsContact CG-NZ 3.29Å
149	P	90.9	Very high	92.4	Very high	53 Å²	53	45.5 Å²	45.5	34%	0.344	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	166.2	164.4	30.4	-36.5	0	0	0	111.3	E90 V91 T92	E90-P149 HydrophobicContact CG-CB 4.38Å; V91-P149 VanDerWaalsContact O-CA 3.29Å; V91-P149 WeakPolarHBondContact O-CA 3.21Å; V91-P149 VanDerWaalsContact O-CB 3.24Å; V91-P149 WeakPolarHBondContact O-CB 3.29Å; T92-P149 HydrophobicContact CG2-CB 4.14Å
150	F	91.7	Very high	92.4	Very high	15 Å²	15	44.8 Å²	44.8	7%	0.066	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.2	176.6	67.7	-89.9	0	0	0	111.2	V91 L111 F113 Y123 L146 A152 L155	V91-F150 HydrophobicContact CB-CE1 4.31Å; V91-F150 HydrophobicContact CB-CE2 4.31Å; V91-F150 HydrophobicContact CB-CZ 4.16Å; V91-F150 HydrophobicContact CG1-CE1 4.32Å; V91-F150 HydrophobicContact CG1-CZ 4.24Å; V91-F150 HydrophobicContact CG2-CE2 4.32Å; V91-F150 PolarHBondContact N-O 3.41Å; V91-F150 PolarHBondContact O-N 3.01Å; L111-F150 HydrophobicContact CD2-CE1 4.05Å; L111-F150 HydrophobicContact CD2-CZ 4.11Å; F113-F150 HydrophobicContact CB-CD2 4.09Å; F113-F150 HydrophobicContact CB-CE2 3.4Å; F113-F150 HydrophobicContact CB-CZ 4.06Å; F113-F150 HydrophobicContact CD1-CD2 4.11Å; F113-F150 AromaticContact CD1-CE2 3.96Å; F113-F150 HydrophobicContact CD1-CE2 3.96Å; F113-F150 HydrophobicContact CD1-CZ 4.32Å; F113-F150 AromaticContact CD2-CD2 3.88Å; F113-F150 HydrophobicContact CD2-CD2 3.88Å; F113-F150 HydrophobicContact CD2-CE2 4.09Å; F113-F150 HydrophobicContact CE2-CD2 4.31Å; F113-F150 AromaticContact CG-CD2 3.77Å; F113-F150 HydrophobicContact CG-CD2 3.77Å; F113-F150 AromaticContact CG-CE2 3.56Å; F113-F150 HydrophobicContact CG-CE2 3.56Å; F113-F150 HydrophobicContact CG-CZ 4.3Å; Y123-F150 AromaticContact CD2-CD1 3.35Å; Y123-F150 HydrophobicContact CD2-CD1 3.35Å; Y123-F150 AromaticContact CD2-CE1 3.58Å; Y123-F150 HydrophobicContact CD2-CE1 3.58Å; Y123-F150 HydrophobicContact CD2-CG 4.19Å; Y123-F150 AromaticContact CE2-CD1 3.48Å; Y123-F150 HydrophobicContact CE2-CD1 3.48Å; Y123-F150 VanDerWaalsContact CE2-CD1 3.48Å; Y123-F150 AromaticContact CE2-CE1 3.99Å; Y123-F150 HydrophobicContact CE2-CE1 3.99Å; Y123-F150 HydrophobicContact CE2-CG 4.42Å; Y123-F150 HydrophobicContact CG-CD1 4.49Å; Y123-F150 HydrophobicContact CG-CE1 4.34Å; L146-F150 HydrophobicContact CD1-CD1 4.12Å; L146-F150 HydrophobicContact CD1-CE1 3.56Å; L146-F150 HydrophobicContact CD1-CZ 4.48Å; L146-F150 HydrophobicContact CD2-CE1 4.43Å; F150-A152 HydrophobicContact CD2-CB 3.9Å; F150-A152 HydrophobicContact CE2-CB 3.67Å; F150-L155 HydrophobicContact CZ-CD2 4.05Å; F150-L155 HydrophobicContact CZ-CG 4.45Å
151	E	92.8	Very high	92.4	Very high	40 Å²	40	44.7 Å²	44.7	19%	0.187	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.8	177.4	-49.1	83.5	-179.3	0	0	111.8	R88 M89 Y179 K211	R88-E151 HydrophobicContact CG-CB 4.3Å; M89-E151 VanDerWaalsContact O-CA 3.28Å; M89-E151 WeakPolarHBondContact O-CA 3.4Å; E151-Y179 HydrophobicContact CB-CD1 4.26Å; E151-Y179 HydrophobicContact CB-CE1 4.43Å; E151-Y179 HydrophobicContact CB-CG 4.41Å; E151-Y179 HydrophobicContact CG-CD1 4Å; E151-Y179 HydrophobicContact CG-CD2 3.72Å; E151-Y179 HydrophobicContact CG-CE1 4.04Å; E151-Y179 HydrophobicContact CG-CE2 3.76Å; E151-Y179 HydrophobicContact CG-CG 3.82Å; E151-K211 IonicContact OE1-NZ 2.78Å; E151-K211 PolarHBondContact OE1-NZ 3.21Å; E151-K211 IonicContact OE2-NZ 3.02Å; E151-K211 PolarHBondContact OE2-NZ 2.96Å
152	A	94.3	Very high	92.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	161	177.8	0	0	0	0	0	111.7	M89 F113 F150	M89-A152 PolarHBondContact N-O 2.81Å; M89-A152 PolarHBondContact O-N 2.92Å; F113-A152 HydrophobicContact CB-CB 3.81Å; F113-A152 HydrophobicContact CD2-CB 4.1Å; F113-A152 HydrophobicContact CG-CB 4.37Å; F150-A152 HydrophobicContact CD2-CB 3.9Å; F150-A152 HydrophobicContact CE2-CB 3.67Å
153	R	93.3	Very high	92.5	Very high	77 Å²	77	44 Å²	44	29%	0.291	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-40.3	167.9	174.5	176.3	165.5	175.6	-0.9	112.1	D84 L85 G86 E87 S114	D84-R153 VanDerWaalsContact OD1-CG 3.31Å; D84-R153 WeakPolarHBondContact OD1-CG 3.32Å; D84-R153 IonicContact OD1-CZ 3.86Å; D84-R153 IonicContact OD1-NE 2.76Å; D84-R153 PolarHBondContact OD1-NE 3.07Å; D84-R153 IonicContact OD1-NH2 3.61Å; D84-R153 PolarHBondContact OD1-NH2 2.91Å; D84-R153 IonicContact OD2-CZ 2.68Å; D84-R153 IonicContact OD2-NE 3.2Å; D84-R153 IonicContact OD2-NH2 3.74Å; D84-R153 PolarHBondContact OD2-NH2 3.02Å; L85-R153 WeakPolarHBondContact CB-O 3.49Å; L85-R153 WeakPolarHBondContact CG-O 3.48Å; L85-R153 PolarHBondContact N-O 2.79Å; G86-R153 VanDerWaalsContact O-CZ 3.28Å; G86-R153 PolarHBondContact O-NE 3.15Å; E87-R153 WeakPolarHBondContact O-CA 3.16Å; S114-R153 PolarHBondContact O-N 3.17Å
154	F	95.4	Very high	92.4	Very high	21 Å²	21	45 Å²	45	9%	0.092	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.6	-176.9	-60.1	-91.9	0	0	0	110.7	I83 D84 F113 S114 D115 W120	I83-F154 WeakPolarHBondContact O-CA 3.48Å; D84-F154 HydrophobicContact CB-CD1 3.72Å; D84-F154 HydrophobicContact CB-CE1 3.52Å; D84-F154 HydrophobicContact CB-CZ 4.47Å; D84-F154 WeakPolarHBondContact OD2-CE1 3.27Å; F113-F154 VanDerWaalsContact CA-O 3.26Å; F113-F154 WeakPolarHBondContact CA-O 3.28Å; S114-F154 PolarHBondContact N-O 3.23Å; S114-F154 WeakPolarHBondContact O-CB 3.2Å; S114-F154 PolarHBondContact O-N 3.48Å; D115-F154 WeakPolarHBondContact O-CE2 3.39Å; W120-F154 HydrophobicContact CH2-CB 3.58Å; W120-F154 HydrophobicContact CZ2-CB 4.41Å; W120-F154 HydrophobicContact CZ3-CB 3.97Å
155	L	97	Very high	92.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.5	171.8	-64.5	80.7	0	0	0	109.3	Q82 I83 L85 V91 V94 L111 M112 F150 F157 V174	Q82-L155 CarbonylContact C-O 3.49Å; Q82-L155 VanDerWaalsContact CA-O 3.27Å; Q82-L155 WeakPolarHBondContact CA-O 3.25Å; I83-L155 HydrophobicContact CG2-CB 3.71Å; I83-L155 HydrophobicContact CG2-CD1 4.35Å; I83-L155 PolarHBondContact N-O 3.19Å; I83-L155 PolarHBondContact O-N 2.96Å; L85-L155 HydrophobicContact CD1-CD1 3.5Å; L85-L155 VanDerWaalsContact CD1-CD1 3.5Å; L85-L155 HydrophobicContact CD2-CD1 4.5Å; L85-L155 HydrophobicContact CG-CD1 3.9Å; V91-L155 HydrophobicContact CG1-CD2 4.1Å; V91-L155 HydrophobicContact CG2-CD1 4.25Å; V91-L155 HydrophobicContact CG2-CD2 4.31Å; V94-L155 HydrophobicContact CG1-CD2 4.4Å; L111-L155 HydrophobicContact CD1-CD2 4.33Å; M112-L155 CarbonylContact O-C 3.22Å; M112-L155 WeakPolarHBondContact O-CA 3.45Å; F150-L155 HydrophobicContact CZ-CD2 4.05Å; F150-L155 HydrophobicContact CZ-CG 4.45Å; L155-F157 HydrophobicContact CB-CE2 4.42Å; L155-V174 HydrophobicContact CD2-CG1 3.91Å; L155-V174 HydrophobicContact CD2-CG2 4.15Å
156	R	95.4	Very high	92.5	Very high	20 Å²	20	48.6 Å²	48.6	8%	0.075	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.4	179	-177.9	-170.2	-73	175.1	-5.3	110	W80 L81 Q82 M112 W120 L158	W80-R156 HydrophobicContact CB-CG 3.78Å; W80-R156 HydrophobicContact CD2-CG 4.44Å; W80-R156 HydrophobicContact CE3-CG 4.29Å; W80-R156 HydrophobicContact CG-CG 4.26Å; L81-R156 CarbonylContact O-C 3.48Å; L81-R156 WeakPolarHBondContact O-CA 3.24Å; Q82-R156 HydrophobicContact CB-CB 4.38Å; Q82-R156 HydrophobicContact CB-CG 4.36Å; M112-R156 HydrophobicContact CB-CB 4.21Å; M112-R156 PolarHBondContact N-O 2.64Å; M112-R156 PolarHBondContact O-N 3.17Å; W120-R156 VanDerWaalsContact CD1-NH1 3.31Å; W120-R156 HydrophobicContact CD2-CB 4.44Å; W120-R156 HydrophobicContact CE3-CB 3.78Å; W120-R156 HydrophobicContact CH2-CB 3.7Å; W120-R156 HydrophobicContact CZ2-CB 4.42Å; W120-R156 VanDerWaalsContact CZ2-CZ 3.43Å; W120-R156 HydrophobicContact CZ3-CB 3.37Å; W120-R156 VanDerWaalsContact NE1-NH1 3.16Å; R156-L158 HydrophobicContact CB-CD1 4.4Å; R156-L158 HydrophobicContact CG-CD1 3.75Å
157	F	95.6	Very high	92.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.5	177.8	-63.1	-102.6	0	0	0	108.7	W80 L81 V94 T96 Y109 L110 L111 L155 M170 I172 V174	W80-F157 VanDerWaalsContact CA-O 3.3Å; W80-F157 WeakPolarHBondContact CA-O 3.45Å; L81-F157 PolarHBondContact N-O 3.49Å; L81-F157 PolarHBondContact O-N 3.22Å; V94-F157 HydrophobicContact CB-CE1 4.2Å; V94-F157 HydrophobicContact CB-CZ 4.26Å; V94-F157 HydrophobicContact CG1-CE1 4.35Å; V94-F157 HydrophobicContact CG1-CZ 4.06Å; T96-F157 HydrophobicContact CG2-CD1 4.43Å; T96-F157 HydrophobicContact CG2-CE1 4.32Å; Y109-F157 AromaticContact CD2-CD1 3.79Å; Y109-F157 HydrophobicContact CD2-CD1 3.79Å; Y109-F157 AromaticContact CE2-CD1 3.7Å; Y109-F157 HydrophobicContact CE2-CD1 3.7Å; Y109-F157 AromaticContact CE2-CE1 3.98Å; Y109-F157 HydrophobicContact CE2-CE1 3.98Å; L110-F157 WeakPolarHBondContact O-CA 3.48Å; L111-F157 HydrophobicContact CD1-CD1 4.07Å; L111-F157 HydrophobicContact CD1-CD2 4.42Å; L111-F157 HydrophobicContact CD1-CE1 3.82Å; L111-F157 HydrophobicContact CD1-CE2 4.17Å; L111-F157 HydrophobicContact CD1-CG 4.36Å; L111-F157 HydrophobicContact CD1-CZ 3.87Å; L155-F157 HydrophobicContact CB-CE2 4.42Å; F157-M170 HydrophobicContact CB-CE 4.2Å; F157-M170 HydrophobicContact CD1-CE 4.39Å; F157-I172 HydrophobicContact CD1-CG2 4.32Å; F157-I172 HydrophobicContact CD2-CD1 3.8Å; F157-I172 HydrophobicContact CD2-CG2 4.46Å; F157-I172 HydrophobicContact CE1-CG2 4.27Å; F157-I172 HydrophobicContact CE2-CB 4.47Å; F157-I172 HydrophobicContact CE2-CD1 3.5Å; F157-I172 HydrophobicContact CE2-CG2 4.43Å; F157-I172 HydrophobicContact CG-CG2 4.42Å; F157-I172 HydrophobicContact CZ-CB 4.36Å; F157-I172 HydrophobicContact CZ-CD1 4.19Å; F157-I172 HydrophobicContact CZ-CG2 4.34Å; F157-V174 HydrophobicContact CZ-CG2 4.44Å
158	L	93.1	Very high	93.3	Very high	31 Å²	31	47.1 Å²	47.1	16%	0.162	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.9	178.4	-71.1	75.2	0	0	0	109	W80 Y109 L110 M112 R156 L160	W80-L158 HydrophobicContact CB-CG 4.22Å; Y109-L158 CarbonylContact C-O 3.59Å; Y109-L158 WeakPolarHBondContact CA-O 3.48Å; Y109-L158 WeakPolarHBondContact CB-O 3.15Å; L110-L158 HydrophobicContact CB-CB 4.24Å; L110-L158 PolarHBondContact N-O 3.44Å; L110-L158 PolarHBondContact O-N 2.97Å; M112-L158 HydrophobicContact CB-CD1 4.2Å; M112-L158 HydrophobicContact CG-CD1 3.36Å; R156-L158 HydrophobicContact CB-CD1 4.4Å; R156-L158 HydrophobicContact CG-CD1 3.75Å; L158-L160 PolarHBondContact O-N 3.06Å
159	P	94.6	Very high	93.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	126.7	174.7	-24.1	35.8	0	0	0	111.6	W70 Q79 V106 I168 M170	W70-P159 HydrophobicContact CH2-CG 4.46Å; W70-P159 HydrophobicContact CZ3-CG 4.23Å; Q79-P159 VanDerWaalsContact O-CD 3.28Å; Q79-P159 WeakPolarHBondContact O-CD 3.41Å; V106-P159 HydrophobicContact CG1-CB 4.01Å; V106-P159 HydrophobicContact CG2-CB 3.82Å; V106-P159 HydrophobicContact CG2-CG 3.99Å; P159-I168 HydrophobicContact CB-CD1 3.89Å; P159-I168 HydrophobicContact CB-CG1 4.18Å; P159-I168 HydrophobicContact CB-CG2 4.22Å; P159-I168 HydrophobicContact CG-CD1 4.15Å; P159-I168 HydrophobicContact CG-CG2 3.72Å; P159-M170 HydrophobicContact CG-SD 3.83Å
160	L	90.1	Very high	94.1	Very high	77 Å²	77	42.3 Å²	42.3	40%	0.403	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-42.3	174.2	-63.9	175.1	0	0	0	111.8	S108 L110 L158	S108-L160 PolarHBondContact O-N 2.81Å; L110-L160 HydrophobicContact CD1-CD2 3.82Å; L110-L160 HydrophobicContact CD2-CD1 3.86Å; L110-L160 HydrophobicContact CG-CD1 3.79Å; L110-L160 HydrophobicContact CG-CD2 3.73Å; L110-L160 HydrophobicContact CG-CG 3.93Å; L158-L160 PolarHBondContact O-N 3.06Å
161	A	92.4	Very high	94.3	Very high	38 Å²	38	41.8 Å²	41.8	31%	0.314	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.6	177.4	0	0	0	0	0	110	V106 T107 S108	V106-A161 CarbonylContact C-O 3.58Å; V106-A161 WeakPolarHBondContact CG1-O 3.37Å; T107-A161 PolarHBondContact N-O 2.58Å; T107-A161 VanDerWaalsContact OG1-C 3.23Å; T107-A161 WeakPolarHBondContact OG1-CB 3.37Å; T107-A161 PolarHBondContact OG1-O 3.05Å; S108-A161 PolarHBondContact N-O 3.09Å; S108-A161 PolarHBondContact O-N 2.98Å; S108-A161 WeakPolarHBondContact OG-CB 3.39Å; S108-A161 PolarHBondContact OG-N 3.37Å
162	W	95.3	Very high	94.5	Very high	67 Å²	67	39.9 Å²	39.9	25%	0.254	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	172.1	-177.4	54.9	90.4	0	0	0	109.9	S75 W105 T107 P164 I168	S75-W162 WeakPolarHBondContact O-CZ2 3.4Å; W105-W162 VanDerWaalsContact O-CA 3.27Å; W105-W162 WeakPolarHBondContact O-CA 3.39Å; W105-W162 WeakPolarHBondContact O-CB 3.31Å; T107-W162 PolarHBondContact OG1-N 3.48Å; W162-P164 WeakPolarHBondContact O-CD 3.3Å; W162-P164 VanDerWaalsContact O-N 3.17Å; W162-I168 HydrophobicContact CB-CG1 4.27Å; W162-I168 HydrophobicContact CD2-CD1 4.22Å; W162-I168 HydrophobicContact CD2-CG1 3.61Å; W162-I168 HydrophobicContact CE3-CD1 3.84Å; W162-I168 HydrophobicContact CE3-CG1 3.63Å; W162-I168 HydrophobicContact CG-CG1 3.9Å; W162-I168 HydrophobicContact CH2-CD1 4.4Å; W162-I168 HydrophobicContact CZ3-CD1 3.94Å; W162-I168 HydrophobicContact CZ3-CG1 4.24Å
163	N	95.4	Very high	94.6	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.091	19%	0.191	C	C	.	.			trans	-53.7	120.4	177.6	-177.8	13.1	0	0	0	111.3	S103 W105 R165 G166	S103-N163 WeakPolarHBondContact O-CB 3.25Å; S103-N163 PolarHBondContact O-ND2 2.85Å; W105-N163 HydrophobicContact CD2-CB 3.92Å; W105-N163 HydrophobicContact CE3-CB 4.5Å; W105-N163 HydrophobicContact CG-CB 4.35Å; W105-N163 HydrophobicContact CH2-CB 4.36Å; W105-N163 WeakPolarHBondContact CH2-ND2 3.44Å; W105-N163 HydrophobicContact CZ2-CB 3.74Å; W105-N163 VanDerWaalsContact CZ2-ND2 3.26Å; W105-N163 WeakPolarHBondContact CZ2-ND2 3.35Å; W105-N163 PolarHBondContact O-N 3.1Å; N163-R165 PolarHBondContact O-N 3Å; N163-R165 VanDerWaalsContact O-N 3.13Å; N163-R165 PolarHBondContact OD1-N 3.36Å; N163-R165 VanDerWaalsContact OD1-N 3.14Å; N163-G166 CarbonylContact O-C 3.6Å; N163-G166 PolarHBondContact O-N 2.66Å
164	P	92.4	Very high	94.7	Very high	125 Å²	125	36.4 Å²	36.4	81%	0.812	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.3	179.6	25.5	-35.3	0	0	0	113.2	W162	W162-P164 WeakPolarHBondContact O-CD 3.3Å; W162-P164 VanDerWaalsContact O-N 3.17Å
165	R	91.8	Very high	94.8	Very high	228 Å²	228	37.7 Å²	37.7	86%	0.86	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.1	176	-56.7	-173.8	-167.9	168.6	4	113.7	N163	N163-R165 PolarHBondContact O-N 3Å; N163-R165 VanDerWaalsContact O-N 3.13Å; N163-R165 PolarHBondContact OD1-N 3.36Å; N163-R165 VanDerWaalsContact OD1-N 3.14Å
166	G	92.1	Very high	94.7	Very high	19 Å²	19	37.7 Å²	37.7	20%	0.196	18%	0.182	C	C	.	.	S	Bend	trans	-138.7	-157.8	-176.8	0	0	0	0	0	113	N163	N163-G166 CarbonylContact O-C 3.6Å; N163-G166 PolarHBondContact O-N 2.66Å
167	R	94.5	Very high	94.7	Very high	113 Å²	113	37.8 Å²	37.8	43%	0.426	19%	0.186	S	C	.	.			trans	-114	177.8	178.5	-61	-179.1	178.2	-137	-0.3	111.3	T71 D104 W105 G169	T71-R167 HydrophobicContact CG2-CB 4.33Å; D104-R167 CarbonylContact C-O 3.51Å; D104-R167 VanDerWaalsContact CA-O 3.25Å; D104-R167 WeakPolarHBondContact CA-O 3.2Å; D104-R167 HydrophobicContact CB-CB 4.29Å; D104-R167 WeakPolarHBondContact CB-O 3.04Å; D104-R167 PolarHBondContact OD1-N 3.27Å; W105-R167 PolarHBondContact N-O 2.56Å; R167-G169 PolarHBondContact O-N 3.47Å
168	I	96.8	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.			trans	-65	121	163.8	-65.9	172.5	0	0	0	108.5	W70 T71 P72 S75 Q79 V106 P159 W162	W70-I168 HydrophobicContact CE3-CG2 4.36Å; W70-I168 HydrophobicContact CH2-CG2 4.14Å; W70-I168 HydrophobicContact CZ3-CG2 3.7Å; T71-I168 WeakPolarHBondContact CA-O 2.98Å; T71-I168 WeakPolarHBondContact CB-O 3.43Å; T71-I168 VanDerWaalsContact CG2-O 3.3Å; T71-I168 WeakPolarHBondContact CG2-O 3.3Å; T71-I168 PolarHBondContact OG1-O 3.13Å; P72-I168 WeakPolarHBondContact CD-O 3.15Å; P72-I168 HydrophobicContact CG-CB 3.76Å; P72-I168 HydrophobicContact CG-CD1 4.1Å; P72-I168 HydrophobicContact CG-CG1 4.48Å; P72-I168 HydrophobicContact CG-CG2 3.89Å; S75-I168 PolarHBondContact OG-N 3.01Å; S75-I168 VanDerWaalsContact OG-N 3.12Å; Q79-I168 HydrophobicContact CB-CD1 4Å; Q79-I168 HydrophobicContact CG-CD1 4.01Å; V106-I168 HydrophobicContact CG2-CG2 3.89Å; P159-I168 HydrophobicContact CB-CD1 3.89Å; P159-I168 HydrophobicContact CB-CG1 4.18Å; P159-I168 HydrophobicContact CB-CG2 4.22Å; P159-I168 HydrophobicContact CG-CD1 4.15Å; P159-I168 HydrophobicContact CG-CG2 3.72Å; W162-I168 HydrophobicContact CB-CG1 4.27Å; W162-I168 HydrophobicContact CD2-CD1 4.22Å; W162-I168 HydrophobicContact CD2-CG1 3.61Å; W162-I168 HydrophobicContact CE3-CD1 3.84Å; W162-I168 HydrophobicContact CE3-CG1 3.63Å; W162-I168 HydrophobicContact CG-CG1 3.9Å; W162-I168 HydrophobicContact CH2-CD1 4.4Å; W162-I168 HydrophobicContact CZ3-CD1 3.94Å; W162-I168 HydrophobicContact CZ3-CG1 4.24Å
169	G	95.6	Very high	94.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.			trans	-138.3	127.8	172.1	0	0	0	0	0	109.6	W70 D104 W105 R167	W70-G169 WeakPolarHBondContact O-CA 3.23Å; D104-G169 WeakPolarHBondContact O-CA 3.38Å; W105-G169 WeakPolarHBondContact CA-O 3.45Å; R167-G169 PolarHBondContact O-N 3.47Å
170	M	95.7	Very high	93.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-140.5	139.7	-179.5	-56.8	-174.1	77.1	0	0	113.5	W70 L81 T96 Q97 V106 F157 P159 I172	W70-M170 HydrophobicContact CE3-CB 4.09Å; W70-M170 HydrophobicContact CE3-CG 4.25Å; W70-M170 HydrophobicContact CE3-SD 4.45Å; W70-M170 HydrophobicContact CZ3-CG 4.3Å; W70-M170 HydrophobicContact CZ3-SD 4.05Å; W70-M170 PolarHBondContact N-O 3.48Å; W70-M170 PolarHBondContact O-N 3.3Å; L81-M170 HydrophobicContact CD2-CB 4.2Å; T96-M170 HydrophobicContact CG2-CE 4.04Å; Q97-M170 CarbonylContact O-C 3.38Å; Q97-M170 WeakPolarHBondContact O-CA 3.46Å; V106-M170 HydrophobicContact CB-CE 4.36Å; V106-M170 HydrophobicContact CB-CG 4.09Å; V106-M170 HydrophobicContact CB-SD 4.24Å; V106-M170 HydrophobicContact CG1-CE 4.46Å; V106-M170 HydrophobicContact CG2-CE 4.47Å; V106-M170 HydrophobicContact CG2-CG 3.45Å; V106-M170 VanDerWaalsContact CG2-CG 3.45Å; V106-M170 HydrophobicContact CG2-SD 3.71Å; F157-M170 HydrophobicContact CB-CE 4.2Å; F157-M170 HydrophobicContact CD1-CE 4.39Å; P159-M170 HydrophobicContact CG-SD 3.83Å; M170-I172 HydrophobicContact CE-CG2 4.29Å
171	R	96.3	Very high	93.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.7	158.8	-69.3	177.1	-72.1	174.5	0.1	108.1	S59 R63 G68 T96 Q97 G98 A138	S59-R171 CarbonylContact O-C 2.74Å; S59-R171 WeakPolarHBondContact O-CA 3.39Å; R63-R171 VanDerWaalsContact O-CD 3.28Å; R63-R171 WeakPolarHBondContact O-CD 3.26Å; R63-R171 PolarHBondContact O-NH1 3.48Å; G68-R171 VanDerWaalsContact O-CD 3.27Å; G68-R171 WeakPolarHBondContact O-CD 3.45Å; G68-R171 PolarHBondContact O-NE 2.93Å; T96-R171 CarbonylContact C-O 3.58Å; T96-R171 WeakPolarHBondContact CA-O 3.31Å; Q97-R171 HydrophobicContact CB-CB 4.14Å; Q97-R171 VanDerWaalsContact CD-CZ 3.46Å; Q97-R171 VanDerWaalsContact CD-NH2 3.32Å; Q97-R171 PolarHBondContact N-O 3.4Å; Q97-R171 PolarHBondContact O-N 2.77Å; G98-R171 PolarHBondContact O-NE 3.3Å; G98-R171 PolarHBondContact O-NH2 3.04Å; A138-R171 PolarHBondContact O-NH2 3.2Å
172	I	96.6	Very high	93.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.6	-169.5	62.5	166.9	0	0	0	112	S59 L61 L81 A95 T96 F157 M170	S59-I172 WeakPolarHBondContact O-CG1 3.33Å; S59-I172 PolarHBondContact O-N 2.98Å; L61-I172 PolarHBondContact N-O 2.79Å; L81-I172 HydrophobicContact CD2-CD1 3.86Å; L81-I172 HydrophobicContact CD2-CG1 4.1Å; L81-I172 HydrophobicContact CD2-CG2 4.05Å; L81-I172 HydrophobicContact CG-CD1 4.28Å; A95-I172 CarbonylContact O-C 3.42Å; A95-I172 VanDerWaalsContact O-CA 3.23Å; A95-I172 WeakPolarHBondContact O-CA 3.27Å; T96-I172 HydrophobicContact CG2-CG2 4.34Å; F157-I172 HydrophobicContact CD1-CG2 4.32Å; F157-I172 HydrophobicContact CD2-CD1 3.8Å; F157-I172 HydrophobicContact CD2-CG2 4.46Å; F157-I172 HydrophobicContact CE1-CG2 4.27Å; F157-I172 HydrophobicContact CE2-CB 4.47Å; F157-I172 HydrophobicContact CE2-CD1 3.5Å; F157-I172 HydrophobicContact CE2-CG2 4.43Å; F157-I172 HydrophobicContact CG-CG2 4.42Å; F157-I172 HydrophobicContact CZ-CB 4.36Å; F157-I172 HydrophobicContact CZ-CD1 4.19Å; F157-I172 HydrophobicContact CZ-CG2 4.34Å; M170-I172 HydrophobicContact CE-CG2 4.29Å
173	E	96.4	Very high	93.1	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.019	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.4	164.4	-176.8	57.1	-91.2	0	0	109	P34 L35 A36 S37 L61 V94 A95 Y175	P34-E173 HydrophobicContact CB-CG 4.15Å; L35-E173 PolarHBondContact N-OE1 2.78Å; A36-E173 WeakPolarHBondContact CA-OE1 3.1Å; A36-E173 WeakPolarHBondContact CB-OE1 3.08Å; A36-E173 PolarHBondContact N-OE1 2.88Å; S37-E173 VanDerWaalsContact CB-OE2 3.28Å; S37-E173 WeakPolarHBondContact CB-OE2 3.21Å; S37-E173 PolarHBondContact N-OE1 3.28Å; S37-E173 PolarHBondContact N-OE2 2.82Å; S37-E173 PolarHBondContact OG-OE2 3.29Å; L61-E173 HydrophobicContact CB-CB 3.75Å; L61-E173 HydrophobicContact CD2-CB 3.72Å; L61-E173 HydrophobicContact CD2-CG 4.43Å; L61-E173 HydrophobicContact CG-CB 4.25Å; V94-E173 WeakPolarHBondContact CA-O 3.18Å; A95-E173 HydrophobicContact CB-CB 4.33Å; A95-E173 PolarHBondContact N-O 3.18Å; A95-E173 PolarHBondContact O-N 2.93Å; E173-Y175 HydrophobicContact CB-CE2 4Å; E173-Y175 HydrophobicContact CG-CD2 4.2Å; E173-Y175 HydrophobicContact CG-CE1 4.04Å; E173-Y175 HydrophobicContact CG-CE2 3.6Å
174	V	96.9	Very high	93.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.5	176.4	-176.6	0	0	0	0	107.1	L35 I83 V91 L155 F157	L35-V174 HydrophobicContact CB-CB 4.47Å; L35-V174 WeakPolarHBondContact CB-O 3.46Å; L35-V174 HydrophobicContact CD1-CG1 4.29Å; L35-V174 PolarHBondContact N-O 2.87Å; I83-V174 HydrophobicContact CD1-CG2 4.46Å; I83-V174 HydrophobicContact CG2-CG2 4.33Å; V91-V174 HydrophobicContact CG1-CG1 3.59Å; V91-V174 HydrophobicContact CG2-CG1 4.21Å; L155-V174 HydrophobicContact CD2-CG1 3.91Å; L155-V174 HydrophobicContact CD2-CG2 4.15Å; F157-V174 HydrophobicContact CZ-CG2 4.44Å
175	Y	96.6	Very high	93.2	Very high	47 Å²	47	39.3 Å²	39.3	18%	0.184	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.5	179.9	-58.4	-95.7	0	0	0	110.7	S33 P34 T92 A93 A95 H143 E173	S33-Y175 CarbonylContact O-C 3.55Å; S33-Y175 VanDerWaalsContact O-CA 3.26Å; S33-Y175 WeakPolarHBondContact O-CA 2.99Å; P34-Y175 HydrophobicContact CB-CD1 4.24Å; P34-Y175 HydrophobicContact CB-CE1 4.11Å; T92-Y175 PolarHBondContact N-O 2.97Å; T92-Y175 PolarHBondContact OG1-O 3.43Å; A93-Y175 HydrophobicContact CB-CD2 4.05Å; A93-Y175 HydrophobicContact CB-CG 4.38Å; A93-Y175 PolarHBondContact N-O 2.98Å; A93-Y175 PolarHBondContact O-N 3.49Å; A95-Y175 HydrophobicContact CB-CE2 3.87Å; H143-Y175 AromaticContact CD2-CE2 3.61Å; H143-Y175 AromaticContact NE2-CD2 3.81Å; H143-Y175 AromaticContact NE2-CE2 3.81Å; E173-Y175 HydrophobicContact CB-CE2 4Å; E173-Y175 HydrophobicContact CG-CD2 4.2Å; E173-Y175 HydrophobicContact CG-CE1 4.04Å; E173-Y175 HydrophobicContact CG-CE2 3.6Å
176	G	95.6	Very high	93.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	-156.8	-177.4	0	0	0	0	0	113.7	C31 S33 E90	C31-G176 WeakPolarHBondContact O-CA 3.15Å; S33-G176 WeakPolarHBondContact CB-O 3.22Å; S33-G176 PolarHBondContact N-O 3.16Å; S33-G176 VanDerWaalsContact N-O 3.16Å; S33-G176 PolarHBondContact O-N 2.03Å; E90-G176 CarbonylContact O-C 3.51Å; E90-G176 WeakPolarHBondContact O-CA 3.34Å
177	C	94.3	Very high	93.2	Very high	23 Å²	23	30.2 Å²	30.2	16%	0.155	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	169	177.6	64	0	0	0	0	112	C31 M89 E90 Y179	C31-C177 HydrophobicContact CB-CB 4.02Å; C31-C177 WeakPolarHBondContact CB-SG 3.49Å; C31-C177 WeakPolarHBondContact SG-CB 3.29Å; C31-C177 PolarHBondContact SG-N 2.85Å; C31-C177 CovalentContact SG-SG 2.04Å; C31-C177 PolarHBondContact SG-SG 2.82Å; M89-C177 WeakPolarHBondContact CA-O 3.23Å; E90-C177 PolarHBondContact N-O 3.17Å; E90-C177 PolarHBondContact O-N 2.95Å; C177-Y179 PolarHBondContact O-N 3.35Å
178	A	91.7	Very high	92.9	Very high	68 Å²	68	26 Å²	26	56%	0.562	14%	0.142	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66	131.4	178.2	0	0	0	0	0	110.8	M89	M89-A178 HydrophobicContact CE-CB 4.15Å; M89-A178 HydrophobicContact SD-CB 4.3Å
179	Y	89.8	Confident	92.5	Very high	40 Å²	40	33.5 Å²	33.5	16%	0.157	18%	0.177	C	C	.	.			trans	-104.8	124.1	-179.7	176.7	-101.6	0	0	0	111	R88 E90 E151 C177 S181 K211 E334 N335	R88-Y179 PolarHBondContact O-N 3.36Å; E90-Y179 HydrophobicContact CB-CD2 4.5Å; E151-Y179 HydrophobicContact CB-CD1 4.26Å; E151-Y179 HydrophobicContact CB-CE1 4.43Å; E151-Y179 HydrophobicContact CB-CG 4.41Å; E151-Y179 HydrophobicContact CG-CD1 4Å; E151-Y179 HydrophobicContact CG-CD2 3.72Å; E151-Y179 HydrophobicContact CG-CE1 4.04Å; E151-Y179 HydrophobicContact CG-CE2 3.76Å; E151-Y179 HydrophobicContact CG-CG 3.82Å; C177-Y179 PolarHBondContact O-N 3.35Å; Y179-S181 PolarHBondContact O-N 2.82Å; Y179-K211 PolarHBondContact OH-NZ 2.93Å; Y179-E334 PolarHBondContact OH-OE2 2.81Å; Y179-N335 PolarHBondContact OH-ND2 3.29Å
180	K	83.9	Confident	92.3	Very high	143 Å²	143	33.6 Å²	33.6	62%	0.622	18%	0.178	S	C	*	.			trans	-81.5	118.1	176.7	-170.6	-179.3	173.3	-167.4	0	110.2	E182 N335	K180-E182 WeakPolarHBondContact CE-OE1 3.08Å; K180-E182 IonicContact NZ-OE1 3.22Å; K180-N335 PolarHBondContact O-ND2 2.97Å
181	S	82.6	Confident	92.1	Very high	43 Å²	43	33.7 Å²	33.7	30%	0.301	18%	0.179	S	C	.	.			trans	-118.2	110.4	-175.7	174.4	0	0	0	0	110.7	Y179 V183 E334	Y179-S181 PolarHBondContact O-N 2.82Å; S181-V183 VanDerWaalsContact OG-CG2 3.28Å; S181-V183 WeakPolarHBondContact OG-CG2 3.35Å; S181-E334 WeakPolarHBondContact CB-OE1 3.24Å; S181-E334 PolarHBondContact OG-OE1 2.94Å
182	E	88.6	Confident	91.9	Very high	38 Å²	38	33.6 Å²	33.6	18%	0.178	18%	0.178	C	C	.	.			trans	-104.1	109.7	172.5	-61.3	-65.2	163	0	0	109.2	K180 E334 N335 T344 K348	K180-E182 WeakPolarHBondContact CE-OE1 3.08Å; K180-E182 IonicContact NZ-OE1 3.22Å; E182-E334 CarbonylContact O-C 3.53Å; E182-E334 WeakPolarHBondContact O-CA 3.35Å; E182-N335 PolarHBondContact N-OD1 2.95Å; E182-N335 PolarHBondContact O-N 3.25Å; E182-T344 HydrophobicContact CB-CG2 3.89Å; E182-K348 VanDerWaalsContact OE2-CD 3.27Å; E182-K348 WeakPolarHBondContact OE2-CD 3.27Å; E182-K348 WeakPolarHBondContact OE2-CE 3.36Å; E182-K348 IonicContact OE2-NZ 3.79Å; E182-K348 PolarHBondContact OE2-NZ 2.82Å
183	V	92.1	Very high	91.6	Very high	14 Å²	14	35.1 Å²	35.1	9%	0.085	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.1	-173.3	-172.4	0	0	0	0	112.3	S181 W272 C332 L333 E334 F362 C364	S181-V183 VanDerWaalsContact OG-CG2 3.28Å; S181-V183 WeakPolarHBondContact OG-CG2 3.35Å; V183-W272 HydrophobicContact CG1-CH2 3.75Å; V183-W272 HydrophobicContact CG1-CZ2 4.25Å; V183-W272 HydrophobicContact CG2-CH2 4.23Å; V183-W272 HydrophobicContact CG2-CZ2 4.27Å; V183-C332 HydrophobicContact CG1-CB 3.9Å; V183-L333 CarbonylContact C-O 3.56Å; V183-L333 WeakPolarHBondContact CA-O 3.39Å; V183-L333 WeakPolarHBondContact CG1-O 3.37Å; V183-E334 HydrophobicContact CG2-CB 4.16Å; V183-E334 HydrophobicContact CG2-CG 4.39Å; V183-F362 CarbonylContact O-C 3.56Å; V183-F362 WeakPolarHBondContact O-CA 3.4Å; V183-C364 HydrophobicContact CG1-CB 3.87Å
184	V	94.2	Very high	91.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137	167.8	58.8	0	0	0	0	109.8	F186 L192 C332 L333 T344 V360 S361 F362	V184-F186 HydrophobicContact CB-CE2 4.43Å; V184-F186 HydrophobicContact CG1-CE2 3.65Å; V184-F186 HydrophobicContact CG1-CZ 3.99Å; V184-F186 HydrophobicContact CG2-CE2 4.08Å; V184-F186 HydrophobicContact CG2-CZ 4.04Å; V184-L192 HydrophobicContact CG1-CD1 4.42Å; V184-L192 HydrophobicContact CG2-CD1 4.22Å; V184-C332 CarbonylContact O-C 3.52Å; V184-C332 VanDerWaalsContact O-CA 3.28Å; V184-C332 WeakPolarHBondContact O-CA 3.37Å; V184-L333 HydrophobicContact CG1-CB 3.86Å; V184-L333 PolarHBondContact N-O 3.27Å; V184-L333 PolarHBondContact O-N 3.03Å; V184-T344 HydrophobicContact CB-CG2 4.46Å; V184-V360 HydrophobicContact CG2-CG1 3.2Å; V184-S361 CarbonylContact C-O 3.58Å; V184-S361 WeakPolarHBondContact CA-O 3.35Å; V184-F362 HydrophobicContact CB-CD1 4.39Å; V184-F362 HydrophobicContact CG2-CE1 4.43Å
185	Y	94.5	Very high	91	Very high	41 Å²	41	37.7 Å²	37.7	16%	0.161	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	139	179.1	168.1	-102.2	0	0	0	111	D187 H330 G331 S361 S363 P365	Y185-D187 HydrophobicContact CE1-CB 3.99Å; Y185-H330 PolarHBondContact OH-NE2 2.89Å; Y185-H330 VanDerWaalsContact OH-NE2 3.13Å; Y185-G331 WeakPolarHBondContact CD2-O 3.37Å; Y185-S361 WeakPolarHBondContact CB-OG 3.04Å; Y185-S361 PolarHBondContact N-O 3.03Å; Y185-S363 WeakPolarHBondContact CB-O 3.4Å; Y185-P365 HydrophobicContact CD1-CG 4.48Å; Y185-P365 HydrophobicContact CD2-CG 3.88Å; Y185-P365 HydrophobicContact CE1-CG 4.35Å; Y185-P365 HydrophobicContact CE2-CG 3.71Å; Y185-P365 HydrophobicContact CG-CG 4.25Å
186	F	93.4	Very high	90.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.3	177	-58.4	-90.6	0	0	0	110.1	V184 G188 S190 L192 F312 F329 H330 G331 L333	V184-F186 HydrophobicContact CB-CE2 4.43Å; V184-F186 HydrophobicContact CG1-CE2 3.65Å; V184-F186 HydrophobicContact CG1-CZ 3.99Å; V184-F186 HydrophobicContact CG2-CE2 4.08Å; V184-F186 HydrophobicContact CG2-CZ 4.04Å; F186-G188 VanDerWaalsContact C-N 3.34Å; F186-S190 VanDerWaalsContact CA-OG 3.23Å; F186-S190 WeakPolarHBondContact CA-OG 3.29Å; F186-S190 WeakPolarHBondContact CD1-O 3.31Å; F186-L192 HydrophobicContact CE1-CG 4Å; F186-L192 HydrophobicContact CZ-CD1 4.09Å; F186-L192 HydrophobicContact CZ-CG 4Å; F186-F312 WeakPolarHBondContact CE1-O 3.44Å; F186-F329 HydrophobicContact CB-CD1 4.33Å; F186-F329 VanDerWaalsContact CB-O 3.29Å; F186-F329 WeakPolarHBondContact CB-O 2.96Å; F186-F329 HydrophobicContact CD2-CD1 4.13Å; F186-F329 HydrophobicContact CG-CD1 4.48Å; F186-H330 WeakPolarHBondContact O-CA 3.38Å; F186-H330 PolarHBondContact O-CD2 2.8Å; F186-G331 PolarHBondContact N-O 2.91Å; F186-G331 PolarHBondContact O-N 2.98Å; F186-L333 HydrophobicContact CD2-CD1 4.33Å; F186-L333 HydrophobicContact CD2-CG 4.09Å; F186-L333 HydrophobicContact CE2-CB 4.06Å; F186-L333 HydrophobicContact CE2-CD1 3.48Å; F186-L333 VanDerWaalsContact CE2-CD1 3.48Å; F186-L333 HydrophobicContact CE2-CG 3.55Å; F186-L333 HydrophobicContact CZ-CD1 4.02Å
187	D	90.8	Very high	89.2	Confident	56 Å²	56	41.8 Å²	41.8	30%	0.299	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	6.7	-177.1	65.1	-3	0	0	0	114	Y185 Q189 S190	Y185-D187 HydrophobicContact CE1-CB 3.99Å; D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.42Å; D187-Q189 PolarHBondContact OD1-N 3.27Å; D187-S190 PolarHBondContact N-OG 3.41Å; D187-S190 PolarHBondContact OD1-N 3.14Å; D187-S190 PolarHBondContact OD1-OG 3.39Å
188	G	89.3	Confident	87.6	Confident	23 Å²	23	49.6 Å²	49.6	24%	0.237	26%	0.258	C	S	.	.	S	Bend	trans	83.6	3.4	-172	0	0	0	0	0	114.5	F186 S328 F329	F186-G188 VanDerWaalsContact C-N 3.34Å; G188-S328 VanDerWaalsContact O-CB 3.3Å; G188-S328 WeakPolarHBondContact O-CB 3.16Å; G188-F329 WeakPolarHBondContact CA-O 3.39Å; G188-F329 PolarHBondContact N-O 3.24Å
189	Q	88.3	Confident	85.9	Confident	159 Å²	159	54.5 Å²	54.5	74%	0.743	27%	0.267	S	S	*	.	S	Bend	trans	-129.1	-21.9	173.6	-59.5	-175.7	8.2	0	0	112.6	D187	D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.42Å; D187-Q189 PolarHBondContact OD1-N 3.27Å
190	S	90	Very high	83.9	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	30%	0.297	C	S	.	.			trans	-81.1	154.4	175.4	62.3	0	0	0	0	113.6	F186 D187 M357	F186-S190 VanDerWaalsContact CA-OG 3.23Å; F186-S190 WeakPolarHBondContact CA-OG 3.29Å; F186-S190 WeakPolarHBondContact CD1-O 3.31Å; D187-S190 PolarHBondContact N-OG 3.41Å; D187-S190 PolarHBondContact OD1-N 3.14Å; D187-S190 PolarHBondContact OD1-OG 3.39Å; S190-M357 CarbonylContact C-O 3.51Å; S190-M357 WeakPolarHBondContact CA-O 3.47Å; S190-M357 WeakPolarHBondContact CB-O 3.08Å
191	A	91.7	Very high	82.3	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.033	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	157.4	173.4	0	0	0	0	0	111.7	F312 L316 M357	A191-F312 CarbonylContact C-O 3.52Å; A191-F312 WeakPolarHBondContact CA-O 3.46Å; A191-L316 HydrophobicContact CB-CD1 4.33Å; A191-M357 PolarHBondContact N-O 2.73Å; A191-M357 PolarHBondContact O-N 3.28Å
192	L	92.5	Very high	81	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.6	169.2	-66.7	-177.3	0	0	0	109.6	V184 F186 S311 F312 A347 I354 M356 V360	V184-L192 HydrophobicContact CG1-CD1 4.42Å; V184-L192 HydrophobicContact CG2-CD1 4.22Å; F186-L192 HydrophobicContact CE1-CG 4Å; F186-L192 HydrophobicContact CZ-CD1 4.09Å; F186-L192 HydrophobicContact CZ-CG 4Å; L192-S311 CarbonylContact O-C 3.57Å; L192-S311 VanDerWaalsContact O-CA 3.28Å; L192-S311 WeakPolarHBondContact O-CA 3.31Å; L192-F312 HydrophobicContact CB-CB 4.35Å; L192-F312 PolarHBondContact N-O 3.37Å; L192-F312 PolarHBondContact O-N 2.97Å; L192-A347 HydrophobicContact CD1-CB 4.15Å; L192-A347 HydrophobicContact CD2-CB 4.23Å; L192-I354 HydrophobicContact CB-CD1 4.28Å; L192-M356 HydrophobicContact CD2-CB 4.17Å; L192-M356 HydrophobicContact CD2-CG 3.59Å; L192-M356 HydrophobicContact CD2-SD 4.44Å; L192-V360 HydrophobicContact CD2-CG1 4.26Å; L192-V360 HydrophobicContact CD2-CG2 4.15Å
193	L	91.4	Very high	79.3	Confident	32 Å²	32	66.1 Å²	66.1	17%	0.168	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114.4	173.8	-177.1	70.6	0	0	0	109.3	E309 I354 L355 M357	L193-E309 HydrophobicContact CD1-CB 4.15Å; L193-I354 WeakPolarHBondContact O-CA 3.07Å; L193-L355 HydrophobicContact CB-CB 4.29Å; L193-L355 HydrophobicContact CD2-CD2 4.43Å; L193-L355 PolarHBondContact N-O 3.18Å; L193-L355 PolarHBondContact O-N 3.31Å; L193-M357 HydrophobicContact CB-CE 4.25Å; L193-M357 HydrophobicContact CD2-CE 3.91Å
194	Y	90.8	Very high	77.7	Confident	9 Å²	9	71.7 Å²	71.7	4%	0.035	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.4	178.2	175.5	-124.1	0	0	0	110.4	L196 E309 I310 Y338 V343 L346 Q353 I354	Y194-L196 HydrophobicContact CD1-CD2 4.32Å; Y194-L196 HydrophobicContact CE1-CD2 3.7Å; Y194-L196 HydrophobicContact CE1-CG 4.34Å; Y194-E309 WeakPolarHBondContact O-CA 3.21Å; Y194-I310 HydrophobicContact CD1-CG2 3.68Å; Y194-I310 HydrophobicContact CG-CG2 4.22Å; Y194-I310 PolarHBondContact N-O 3.22Å; Y194-I310 PolarHBondContact O-N 3.3Å; Y194-Y338 HydrophobicContact CE1-CD1 4.15Å; Y194-V343 HydrophobicContact CD1-CG2 4.29Å; Y194-V343 HydrophobicContact CG-CG1 4.45Å; Y194-V343 HydrophobicContact CG-CG2 4.45Å; Y194-L346 HydrophobicContact CD2-CD1 4.25Å; Y194-L346 HydrophobicContact CE2-CD1 3.71Å; Y194-Q353 HydrophobicContact CD2-CB 4.41Å; Y194-Q353 WeakPolarHBondContact CD2-O 3.2Å; Y194-Q353 HydrophobicContact CE2-CB 4.07Å; Y194-I354 HydrophobicContact CD2-CD1 4.32Å; Y194-I354 HydrophobicContact CG-CD1 4.46Å
195	T	88.9	Confident	76.7	Confident	50 Å²	50	77.5 Å²	77.5	31%	0.307	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.2	177.6	-52.3	0	0	0	0	110.2	F308 Q353	T195-F308 WeakPolarHBondContact CA-O 3.38Å; T195-Q353 PolarHBondContact N-O 2.86Å
196	L	82	Confident	76.1	Confident	25 Å²	25	76.4 Å²	76.4	13%	0.131	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-73.6	142.1	179.4	-64.2	157	0	0	0	110.8	Y194 K198 F308 Y338	Y194-L196 HydrophobicContact CD1-CD2 4.32Å; Y194-L196 HydrophobicContact CE1-CD2 3.7Å; Y194-L196 HydrophobicContact CE1-CG 4.34Å; L196-K198 PolarHBondContact O-N 2.8Å; L196-F308 HydrophobicContact CB-CB 4.17Å; L196-F308 HydrophobicContact CB-CD1 4.33Å; L196-F308 WeakPolarHBondContact CB-O 3.34Å; L196-F308 PolarHBondContact N-O 3.46Å; L196-Y338 HydrophobicContact CD2-CD1 3.76Å; L196-Y338 HydrophobicContact CD2-CE1 3.26Å
197	D	73	Confident	75.9	Confident	108 Å²	108	78 Å²	78	58%	0.578	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-63.2	131.4	176.8	-72.1	-32.2	0	0	0	110.9	K199 Q353	D197-K199 PolarHBondContact O-N 3.41Å; D197-Q353 PolarHBondContact OD1-NE2 2.83Å; D197-Q353 PolarHBondContact OD2-NE2 3.42Å
198	K	60.1	Low	75.9	Confident	186 Å²	186	75.7 Å²	75.7	81%	0.809	38%	0.382	S	S	*	.			trans	-70.6	44	-174.6	-62	-176.9	178.8	-179.7	0	114.8	L196	L196-K198 PolarHBondContact O-N 2.8Å
199	K	55.7	Low	76.2	Confident	172 Å²	172	76.7 Å²	76.7	75%	0.748	39%	0.386	S	S	*	.			trans	-88.2	129.8	171.9	-79.6	-173.6	178.9	177.8	0	110.6	D197 L201	D197-K199 PolarHBondContact O-N 3.41Å; K199-L201 VanDerWaalsContact C-N 3.31Å; K199-L201 PolarHBondContact O-N 3.47Å
200	P	48.3	Very low	76.5	Confident	123 Å²	123	69.3 Å²	69.3	80%	0.799	35%	0.351	S	S	*	.			trans	-84.4	74.3	-179.1	35.5	-32.7	0	0	0	109.6
201	L	50.6	Low	76.8	Confident	152 Å²	152	70.8 Å²	70.8	80%	0.796	36%	0.358	S	S	*	.			trans	-130.6	118.4	153.9	-93.3	101.2	0	0	0	106.7	K199 P203	K199-L201 VanDerWaalsContact C-N 3.31Å; K199-L201 PolarHBondContact O-N 3.47Å; L201-P203 WeakPolarHBondContact O-CD 3.31Å; L201-P203 VanDerWaalsContact O-N 3.15Å
202	K	54.4	Low	77	Confident	159 Å²	159	70.6 Å²	70.6	69%	0.691	36%	0.356	S	S	*	.			trans	-50.1	120.8	168.3	-65.9	-178.5	178.6	-174.6	0	107.4	I204 N303	K202-I204 PolarHBondContact O-N 2.99Å; K202-I204 VanDerWaalsContact O-N 3.1Å; K202-N303 PolarHBondContact NZ-OD1 3Å
203	P	54.2	Low	77	Confident	73 Å²	73	71.3 Å²	71.3	47%	0.474	36%	0.359	S	S	.	.			trans	-63.2	118.9	173.4	23.8	-29.4	0	0	0	107.6	L201 R205	L201-P203 WeakPolarHBondContact O-CD 3.31Å; L201-P203 VanDerWaalsContact O-N 3.15Å; P203-R205 PolarHBondContact O-N 2.88Å
204	I	58	Low	77.2	Confident	131 Å²	131	69.8 Å²	69.8	67%	0.672	35%	0.351	S	S	*	.	S	Bend	trans	-61.8	-18.4	170.5	-61.1	166.2	0	0	0	109.8	K202	K202-I204 PolarHBondContact O-N 2.99Å; K202-I204 VanDerWaalsContact O-N 3.1Å
205	R	73.6	Confident	77.1	Confident	123 Å²	123	71.1 Å²	71.1	46%	0.464	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	127.5	-178.2	-171.9	-177	-175.7	179.3	-2.5	111.3	P203 V207 E278 L279 L280	P203-R205 PolarHBondContact O-N 2.88Å; R205-V207 HydrophobicContact CG-CG2 3.8Å; R205-V207 VanDerWaalsContact NE-CG2 3.33Å; R205-E278 IonicContact CZ-OE1 3.85Å; R205-E278 IonicContact NH2-OE1 3.65Å; R205-E278 PolarHBondContact NH2-OE1 3.01Å; R205-L279 CarbonylContact C-O 3.59Å; R205-L279 VanDerWaalsContact CA-O 3.25Å; R205-L279 WeakPolarHBondContact CA-O 3.19Å; R205-L280 HydrophobicContact CB-CD2 3.9Å; R205-L280 HydrophobicContact CG-CD2 3.59Å; R205-L280 HydrophobicContact CG-CG 4.02Å
206	D	81	Confident	77.1	Confident	18 Å²	18	72.9 Å²	72.9	10%	0.096	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.6	166.2	-90.9	-24.2	0	0	0	109	R224 L279 Y338 N339	D206-R224 IonicContact OD2-NH1 3.04Å; D206-R224 PolarHBondContact OD2-NH1 2.56Å; D206-R224 VanDerWaalsContact OD2-NH1 3.11Å; D206-L279 HydrophobicContact CB-CB 4.11Å; D206-L279 HydrophobicContact CB-CD1 3.97Å; D206-L279 PolarHBondContact N-O 3.34Å; D206-L279 PolarHBondContact O-N 3.22Å; D206-Y338 VanDerWaalsContact CG-OH 3.3Å; D206-Y338 PolarHBondContact OD1-OH 3.16Å; D206-Y338 PolarHBondContact OD2-OH 3.01Å; D206-N339 WeakPolarHBondContact CA-OD1 3.32Å; D206-N339 PolarHBondContact OD1-ND2 2.96Å
207	V	89.3	Confident	77.5	Confident	34 Å²	34	73 Å²	73	21%	0.206	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119	177.8	-175.7	0	0	0	0	109.4	R205 L276 I277 E278 N339	R205-V207 HydrophobicContact CG-CG2 3.8Å; R205-V207 VanDerWaalsContact NE-CG2 3.33Å; V207-L276 HydrophobicContact CG1-CD1 3.85Å; V207-I277 WeakPolarHBondContact CA-O 3.28Å; V207-E278 HydrophobicContact CG1-CG 4.42Å; V207-N339 PolarHBondContact N-OD1 3.41Å; V207-N339 PolarHBondContact O-N 3.02Å
208	I	91.8	Very high	78.4	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.031	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.6	176.8	-51.6	175.4	0	0	0	107.7	L222 L276 I277 I310 Y338	I208-L222 HydrophobicContact CD1-CD1 4.48Å; I208-L222 HydrophobicContact CD1-CD2 3.77Å; I208-L222 HydrophobicContact CG2-CD2 4.34Å; I208-L276 WeakPolarHBondContact O-CA 3.48Å; I208-I277 HydrophobicContact CB-CB 4.31Å; I208-I277 PolarHBondContact N-O 2.98Å; I208-I277 PolarHBondContact O-N 2.86Å; I208-I310 HydrophobicContact CD1-CD1 4.4Å; I208-Y338 HydrophobicContact CD1-CD2 4.29Å; I208-Y338 HydrophobicContact CD1-CE2 4.21Å; I208-Y338 HydrophobicContact CG1-CD2 3.82Å; I208-Y338 HydrophobicContact CG1-CE2 4.02Å
209	S	94.6	Very high	80	Confident	45 Å²	45	61.3 Å²	61.3	32%	0.315	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.9	178.1	177	0	0	0	0	109.5	V275 Y337	S209-V275 WeakPolarHBondContact CA-O 3.4Å; S209-Y337 PolarHBondContact N-O 3.35Å; S209-Y337 PolarHBondContact O-N 3.44Å
210	L	95.1	Very high	81.7	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	156.9	175.8	60.4	85.3	0	0	0	110.6	F212 L221 V275 L333 L336	L210-F212 HydrophobicContact CD1-CB 4.14Å; L210-F212 HydrophobicContact CD1-CD1 4.21Å; L210-L221 HydrophobicContact CD1-CD2 4.31Å; L210-V275 HydrophobicContact CD1-CB 3.97Å; L210-V275 HydrophobicContact CD1-CG2 4.1Å; L210-V275 HydrophobicContact CG-CB 4.26Å; L210-V275 PolarHBondContact N-O 3.43Å; L210-V275 PolarHBondContact O-N 2.8Å; L210-L333 HydrophobicContact CD1-CD2 4.31Å; L210-L336 HydrophobicContact CB-CD1 3.7Å; L210-L336 HydrophobicContact CD2-CD1 3.67Å; L210-L336 HydrophobicContact CG-CD1 4.34Å
211	K	95.3	Very high	83.9	Confident	32 Å²	32	47.4 Å²	47.4	14%	0.139	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.9	161.4	-72.9	177.1	178.4	-178.6	0	108.8	E151 Y179 W272 H273 L333 E334	E151-K211 IonicContact OE1-NZ 2.78Å; E151-K211 PolarHBondContact OE1-NZ 3.21Å; E151-K211 IonicContact OE2-NZ 3.02Å; E151-K211 PolarHBondContact OE2-NZ 2.96Å; Y179-K211 PolarHBondContact OH-NZ 2.93Å; K211-W272 HydrophobicContact CB-CE3 4.06Å; K211-H273 CarbonylContact C-O 3.44Å; K211-H273 WeakPolarHBondContact CA-O 3.44Å; K211-L333 CarbonylContact O-C 3.14Å; K211-L333 VanDerWaalsContact O-CA 3.3Å; K211-L333 WeakPolarHBondContact O-CA 3.36Å; K211-E334 HydrophobicContact CB-CB 3.98Å; K211-E334 HydrophobicContact CB-CG 4.34Å; K211-E334 VanDerWaalsContact CD-OE2 3.24Å; K211-E334 WeakPolarHBondContact CD-OE2 3.47Å; K211-E334 PolarHBondContact N-O 3.18Å; K211-E334 PolarHBondContact O-N 2.83Å
212	F	95.8	Very high	85.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.4	175.7	77.5	-86.2	0	0	0	111.9	L210 A214 L221 L236 L241 L267 W272 H273 V275 F329 C332 L333	L210-F212 HydrophobicContact CD1-CB 4.14Å; L210-F212 HydrophobicContact CD1-CD1 4.21Å; F212-A214 HydrophobicContact CD2-CB 4.2Å; F212-A214 HydrophobicContact CE2-CB 4.15Å; F212-L221 HydrophobicContact CB-CD2 3.9Å; F212-L221 HydrophobicContact CD1-CD2 3.69Å; F212-L221 HydrophobicContact CD2-CD2 4.08Å; F212-L221 HydrophobicContact CE1-CD2 4.2Å; F212-L221 HydrophobicContact CG-CD2 3.62Å; F212-L236 HydrophobicContact CE2-CD1 4.38Å; F212-L241 HydrophobicContact CE1-CD1 4.46Å; F212-L241 HydrophobicContact CE1-CD2 4.15Å; F212-L241 HydrophobicContact CZ-CD1 4.39Å; F212-L267 HydrophobicContact CE2-CB 4.15Å; F212-L267 HydrophobicContact CZ-CB 3.9Å; F212-L267 HydrophobicContact CZ-CD1 3.95Å; F212-L267 HydrophobicContact CZ-CG 4.42Å; F212-W272 CarbonylContact O-C 3.53Å; F212-W272 WeakPolarHBondContact O-CA 3.4Å; F212-H273 HydrophobicContact CD1-CB 4.11Å; F212-H273 HydrophobicContact CE1-CB 3.67Å; F212-H273 HydrophobicContact CZ-CB 3.9Å; F212-H273 PolarHBondContact N-O 2.94Å; F212-H273 PolarHBondContact O-N 3.14Å; F212-V275 HydrophobicContact CD1-CG2 3.7Å; F212-V275 HydrophobicContact CE1-CG2 3.61Å; F212-F329 HydrophobicContact CB-CZ 4.15Å; F212-F329 HydrophobicContact CD2-CE2 4.22Å; F212-F329 HydrophobicContact CD2-CZ 4.1Å; F212-C332 CarbonylContact C-O 3.58Å; F212-C332 VanDerWaalsContact CA-O 3.28Å; F212-C332 WeakPolarHBondContact CA-O 3.21Å; F212-L333 HydrophobicContact CB-CD2 3.46Å; F212-L333 VanDerWaalsContact CB-CD2 3.46Å
213	K	94.2	Very high	87.6	Confident	16 Å²	16	33.5 Å²	33.5	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	108.9	172.1	171	168.8	168.6	144.1	0	108.4	M215 Q270 H271 W272 G331 C332	K213-M215 HydrophobicContact CD-CE 4.46Å; K213-M215 HydrophobicContact CG-CE 4.38Å; K213-Q270 WeakPolarHBondContact CD-O 3.49Å; K213-Q270 WeakPolarHBondContact CE-O 3.16Å; K213-Q270 PolarHBondContact NZ-O 3.33Å; K213-H271 WeakPolarHBondContact CA-O 3.26Å; K213-W272 HydrophobicContact CB-CD2 3.86Å; K213-W272 HydrophobicContact CB-CE3 3.71Å; K213-W272 HydrophobicContact CB-CG 4.48Å; K213-W272 HydrophobicContact CB-CH2 4.22Å; K213-W272 HydrophobicContact CB-CZ2 4.35Å; K213-W272 HydrophobicContact CB-CZ3 3.89Å; K213-W272 HydrophobicContact CD-CD2 4.5Å; K213-W272 HydrophobicContact CD-CZ2 4.47Å; K213-G331 CarbonylContact O-C 3.56Å; K213-G331 WeakPolarHBondContact O-CA 3.35Å; K213-C332 HydrophobicContact CB-CB 4.39Å; K213-C332 PolarHBondContact N-O 2.94Å; K213-C332 PolarHBondContact O-N 2.93Å
214	A	93.7	Very high	89.1	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.6	-175	0	0	0	0	0	111.8	F212 L236 F329	F212-A214 HydrophobicContact CD2-CB 4.2Å; F212-A214 HydrophobicContact CE2-CB 4.15Å; A214-L236 HydrophobicContact CB-CD2 3.54Å; A214-F329 HydrophobicContact CB-CE2 3.98Å; A214-F329 HydrophobicContact CB-CZ 4.4Å
215	M	90	Very high	90.2	Very high	38 Å²	38	29 Å²	29	19%	0.187	14%	0.142	C	C	.	.	S	Bend	trans	-97.3	-16.2	172	-59.6	-61.6	179.5	0	0	112.1	K213 Q270 H330	K213-M215 HydrophobicContact CD-CE 4.46Å; K213-M215 HydrophobicContact CG-CE 4.38Å; M215-Q270 HydrophobicContact SD-CG 4.12Å; M215-H330 PolarHBondContact N-O 3.3Å
216	Q	89.5	Confident	90.1	Very high	86 Å²	86	23.3 Å²	23.3	40%	0.402	12%	0.121	S	C	.	.	S	Bend	trans	-130.2	156.2	176.4	-66.5	-174.9	-2.8	0	0	110.5	N218 L236 H330	Q216-N218 VanDerWaalsContact C-N 3.27Å; Q216-N218 PolarHBondContact O-N 2.77Å; Q216-L236 VanDerWaalsContact O-CD2 3.29Å; Q216-L236 WeakPolarHBondContact O-CD2 3.48Å; Q216-H330 HydrophobicContact CG-CB 4.12Å; Q216-H330 PolarHBondContact NE2-ND1 2.54Å; Q216-H330 VanDerWaalsContact NE2-ND1 3.13Å
217	S	89.9	Confident	89.3	Confident	29 Å²	29	29.9 Å²	29.9	20%	0.203	15%	0.151	C	C	.	.	S	Bend	trans	-78.7	-4.9	-178.1	59.6	0	0	0	0	114.6	I237 K238 G239	S217-I237 CarbonylContact O-C 3.5Å; S217-K238 WeakPolarHBondContact O-CA 3.47Å; S217-K238 PolarHBondContact O-N 3.16Å; S217-G239 PolarHBondContact O-N 2.84Å
218	N	91.8	Very high	88	Confident	47 Å²	47	34.8 Å²	34.8	25%	0.251	17%	0.172	S	C	.	.			trans	-137.1	140.2	-179.9	-60.5	-83	0	0	0	111.4	Q216 L236 I237 K238	Q216-N218 VanDerWaalsContact C-N 3.27Å; Q216-N218 PolarHBondContact O-N 2.77Å; N218-L236 CarbonylContact C-O 3.53Å; N218-L236 WeakPolarHBondContact CA-O 3.26Å; N218-I237 WeakPolarHBondContact OD1-CA 3.36Å; N218-K238 PolarHBondContact OD1-N 2.78Å
219	G	92.8	Very high	86.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163	149.2	173.4	0	0	0	0	0	114.4	L221 L236 K327	G219-L221 WeakPolarHBondContact O-CD1 3.4Å; G219-L236 PolarHBondContact N-O 3.4Å; G219-L236 PolarHBondContact O-N 3.47Å; G219-K327 WeakPolarHBondContact CA-O 3.16Å
220	I	92.6	Very high	85.7	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.8	178.3	-65.2	155.3	0	0	0	111.1	H223 T233 E235 G313 I315 R326 K327 F329	I220-H223 HydrophobicContact CG2-CB 4.17Å; I220-T233 HydrophobicContact CG2-CG2 4.34Å; I220-E235 HydrophobicContact CG1-CG 4.03Å; I220-G313 CarbonylContact O-C 3.49Å; I220-G313 VanDerWaalsContact O-C 3.26Å; I220-I315 HydrophobicContact CD1-CD1 3.51Å; I220-I315 HydrophobicContact CD1-CG1 3.83Å; I220-I315 HydrophobicContact CG1-CD1 4.48Å; I220-I315 HydrophobicContact CG2-CD1 4.39Å; I220-I315 HydrophobicContact CG2-CG1 4.15Å; I220-R326 HydrophobicContact CD1-CB 3.48Å; I220-R326 VanDerWaalsContact CD1-CB 3.48Å; I220-R326 HydrophobicContact CD1-CG 4.41Å; I220-R326 HydrophobicContact CG1-CB 4.31Å; I220-K327 PolarHBondContact N-O 3.15Å; I220-K327 VanDerWaalsContact N-O 3.07Å; I220-F329 WeakPolarHBondContact O-CB 3.36Å
221	L	93.8	Very high	85	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-42.8	177.4	-81.3	71.1	0	0	0	111.3	L210 F212 G219 L234 L236 L241 F312 G313 F329	L210-L221 HydrophobicContact CD1-CD2 4.31Å; F212-L221 HydrophobicContact CB-CD2 3.9Å; F212-L221 HydrophobicContact CD1-CD2 3.69Å; F212-L221 HydrophobicContact CD2-CD2 4.08Å; F212-L221 HydrophobicContact CE1-CD2 4.2Å; F212-L221 HydrophobicContact CG-CD2 3.62Å; G219-L221 WeakPolarHBondContact O-CD1 3.4Å; L221-L234 HydrophobicContact CB-CD2 4.17Å; L221-L234 HydrophobicContact CB-CG 4.43Å; L221-L234 HydrophobicContact CD2-CD2 4.21Å; L221-L234 PolarHBondContact N-O 3.12Å; L221-L236 HydrophobicContact CD1-CB 3.9Å; L221-L241 HydrophobicContact CD1-CD1 4.27Å; L221-L241 HydrophobicContact CD2-CD1 4.07Å; L221-F312 VanDerWaalsContact O-CA 3.29Å; L221-F312 WeakPolarHBondContact O-CA 3.49Å; L221-G313 PolarHBondContact O-N 3.2Å; L221-F329 HydrophobicContact CD1-CD2 3.55Å; L221-F329 HydrophobicContact CD1-CE2 3.77Å; L221-F329 HydrophobicContact CD1-CG 4.27Å; L221-F329 HydrophobicContact CG-CD2 4.02Å; L221-F329 HydrophobicContact CG-CE2 4.09Å; L221-F329 HydrophobicContact CG-CG 4.37Å; L221-F329 HydrophobicContact CG-CZ 4.49Å
222	L	92.6	Very high	84.6	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.4	-173	141	79	0	0	0	109.5	I208 T233 L234 I277 I310 S311 F312	I208-L222 HydrophobicContact CD1-CD1 4.48Å; I208-L222 HydrophobicContact CD1-CD2 3.77Å; I208-L222 HydrophobicContact CG2-CD2 4.34Å; L222-T233 WeakPolarHBondContact O-CA 3.43Å; L222-L234 HydrophobicContact CB-CB 4.01Å; L222-L234 HydrophobicContact CD2-CB 3.91Å; L222-L234 HydrophobicContact CD2-CD2 4.48Å; L222-L234 HydrophobicContact CG-CB 4.17Å; L222-L234 PolarHBondContact N-O 3.09Å; L222-L234 PolarHBondContact O-N 3.29Å; L222-I277 HydrophobicContact CD2-CD1 4.27Å; L222-I310 HydrophobicContact CD1-CD1 3.4Å; L222-I310 VanDerWaalsContact CD1-CD1 3.4Å; L222-I310 HydrophobicContact CD1-CG1 3.41Å; L222-I310 VanDerWaalsContact CD1-CG1 3.41Å; L222-S311 WeakPolarHBondContact CA-O 3.43Å; L222-F312 HydrophobicContact CB-CD1 4.08Å; L222-F312 HydrophobicContact CB-CE1 4.19Å; L222-F312 HydrophobicContact CD1-CD1 4.46Å; L222-F312 HydrophobicContact CD1-CE1 3.95Å
223	H	90.3	Very high	84.2	Confident	18 Å²	18	35 Å²	35	8%	0.083	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140	169.1	-178.2	68.1	0	0	0	112.3	I220 I232 T233 S311 I315	I220-H223 HydrophobicContact CG2-CB 4.17Å; H223-I232 CarbonylContact C-O 3.55Å; H223-I232 WeakPolarHBondContact CA-O 3.45Å; H223-T233 PolarHBondContact CE1-OG1 2.91Å; H223-T233 PolarHBondContact ND1-OG1 3.16Å; H223-S311 PolarHBondContact N-O 3.47Å; H223-S311 PolarHBondContact O-N 3.33Å; H223-S311 PolarHBondContact O-OG 3.37Å; H223-I315 HydrophobicContact CB-CD1 3.83Å; H223-I315 HydrophobicContact CB-CG1 3.52Å; H223-I315 VanDerWaalsContact CG-CD1 3.43Å
224	R	85.8	Confident	84.2	Confident	22 Å²	22	34.3 Å²	34.3	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	121	173.3	-174.8	171.7	179	-154	-3.3	108.8	D206 H231 I232 L306 N307 I310 Y338	D206-R224 IonicContact OD2-NH1 3.04Å; D206-R224 PolarHBondContact OD2-NH1 2.56Å; D206-R224 VanDerWaalsContact OD2-NH1 3.11Å; R224-H231 CarbonylContact O-C 3.53Å; R224-H231 WeakPolarHBondContact O-CA 3.37Å; R224-H231 WeakPolarHBondContact O-CB 3.34Å; R224-I232 PolarHBondContact N-O 2.79Å; R224-I232 PolarHBondContact O-N 2.82Å; R224-L306 HydrophobicContact CG-CB 4.17Å; R224-L306 HydrophobicContact CG-CD1 4.49Å; R224-N307 PolarHBondContact NE-O 3.35Å; R224-N307 PolarHBondContact NH2-O 3.42Å; R224-I310 HydrophobicContact CB-CG1 4.22Å; R224-Y338 PolarHBondContact NH1-OH 3.21Å; R224-Y338 VanDerWaalsContact NH1-OH 3.1Å
225	E	81.2	Confident	84.2	Confident	89 Å²	89	35.1 Å²	35.1	42%	0.416	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.4	178.1	-171.3	174.2	-170.5	0	0	110.2	N230 N307	E225-N230 CarbonylContact C-O 3.56Å; E225-N307 WeakPolarHBondContact O-CB 3.49Å; E225-N307 PolarHBondContact O-N 3.39Å; E225-N307 PolarHBondContact O-ND2 3.26Å
226	G	72.3	Confident	84.4	Confident	3 Å²	3	33.3 Å²	33.3	3%	0.031	17%	0.169	C	C	.	.			trans	-112.3	165.5	174.9	0	0	0	0	0	112.9	H228 G229 N230 D305	G226-H228 PolarHBondContact O-N 3.06Å; G226-H228 VanDerWaalsContact O-N 3.15Å; G226-G229 PolarHBondContact O-N 2.83Å; G226-N230 PolarHBondContact N-O 3.34Å; G226-D305 VanDerWaalsContact CA-O 3.27Å; G226-D305 WeakPolarHBondContact CA-O 3.12Å
227	Q	63.2	Low	84.5	Confident	155 Å²	155	31.7 Å²	31.7	72%	0.724	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.9	-174.5	-58.4	-169.2	-5.8	0	0	113.9	N307	Q227-N307 WeakPolarHBondContact CG-OD1 3.15Å; Q227-N307 PolarHBondContact N-OD1 3.3Å
228	H	62.6	Low	84.5	Confident	137 Å²	137	36.1 Å²	36.1	63%	0.634	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	18	-175.5	-60.3	100.3	0	0	0	114	G226 N230 D305	G226-H228 PolarHBondContact O-N 3.06Å; G226-H228 VanDerWaalsContact O-N 3.15Å; H228-N230 VanDerWaalsContact C-N 3.3Å; H228-N230 PolarHBondContact O-N 2.9Å; H228-D305 IonicContact CE1-OD2 3.78Å; H228-D305 PolarHBondContact CE1-OD2 3.02Å; H228-D305 VanDerWaalsContact CE1-OD2 3.28Å; H228-D305 IonicContact CG-OD2 3.72Å; H228-D305 IonicContact ND1-OD2 2.87Å; H228-D305 PolarHBondContact ND1-OD2 2.96Å
229	G	65.6	Low	84.5	Confident	32 Å²	32	33.9 Å²	33.9	33%	0.33	17%	0.166	S	C	.	.	S	Bend	trans	83	2.4	179.9	0	0	0	0	0	115	G226 H231 N246	G226-G229 PolarHBondContact O-N 2.83Å; G229-H231 PolarHBondContact O-ND1 2.87Å; G229-N246 PolarHBondContact O-ND2 2.91Å
230	N	72.3	Confident	84.4	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.032	18%	0.18	C	C	.	.			trans	-61.6	134.2	166.9	-65.3	-25	0	0	0	109.2	E225 G226 H228 N246 S247 G248 D305 L306	E225-N230 CarbonylContact C-O 3.56Å; G226-N230 PolarHBondContact N-O 3.34Å; H228-N230 VanDerWaalsContact C-N 3.3Å; H228-N230 PolarHBondContact O-N 2.9Å; N230-N246 WeakPolarHBondContact CA-O 3.19Å; N230-S247 PolarHBondContact OD1-O 2.81Å; N230-S247 VanDerWaalsContact OD1-O 3.13Å; N230-G248 WeakPolarHBondContact OD1-CA 3.5Å; N230-G248 PolarHBondContact OD1-N 2.98Å; N230-D305 PolarHBondContact ND2-N 3.34Å; N230-L306 HydrophobicContact CB-CD2 4.02Å
231	H	80.8	Confident	84.5	Confident	47 Å²	47	37 Å²	37	22%	0.218	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.9	175.2	61.5	-88.9	0	0	0	112.1	R224 G229 N246	R224-H231 CarbonylContact O-C 3.53Å; R224-H231 WeakPolarHBondContact O-CA 3.37Å; R224-H231 WeakPolarHBondContact O-CB 3.34Å; G229-H231 PolarHBondContact O-ND1 2.87Å; H231-N246 PolarHBondContact N-O 3.15Å; H231-N246 PolarHBondContact O-N 3.08Å
232	I	85.6	Confident	84.4	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.1	167.7	-60.1	-176.2	0	0	0	106.6	H223 R224 F243 F244 L245 L279 L304 L306	H223-I232 CarbonylContact C-O 3.55Å; H223-I232 WeakPolarHBondContact CA-O 3.45Å; R224-I232 PolarHBondContact N-O 2.79Å; R224-I232 PolarHBondContact O-N 2.82Å; I232-F243 HydrophobicContact CG2-CD2 4.46Å; I232-F243 HydrophobicContact CG2-CE2 3.45Å; I232-F243 VanDerWaalsContact CG2-CE2 3.45Å; I232-F243 HydrophobicContact CG2-CZ 3.84Å; I232-F244 WeakPolarHBondContact CA-O 3.46Å; I232-L245 HydrophobicContact CD1-CD1 4.16Å; I232-L245 HydrophobicContact CG1-CD1 3.7Å; I232-L279 HydrophobicContact CD1-CD1 3.77Å; I232-L304 HydrophobicContact CG1-CD2 4.34Å; I232-L306 HydrophobicContact CD1-CD1 3.39Å; I232-L306 HydrophobicContact CG1-CD1 3.79Å; I232-L306 HydrophobicContact CG1-CD2 4.36Å
233	T	88.6	Confident	84.2	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.9	176.2	-52	0	0	0	0	109.7	I220 L222 H223 E235 F244	I220-T233 HydrophobicContact CG2-CG2 4.34Å; L222-T233 WeakPolarHBondContact O-CA 3.43Å; H223-T233 PolarHBondContact CE1-OG1 2.91Å; H223-T233 PolarHBondContact ND1-OG1 3.16Å; T233-E235 HydrophobicContact CG2-CB 4.44Å; T233-F244 PolarHBondContact N-O 2.84Å; T233-F244 PolarHBondContact O-N 3.26Å
234	L	93	Very high	84.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.5	169.1	-174.3	71.8	0	0	0	108.4	L221 L222 L241 F243 V275 I277 F286	L221-L234 HydrophobicContact CB-CD2 4.17Å; L221-L234 HydrophobicContact CB-CG 4.43Å; L221-L234 HydrophobicContact CD2-CD2 4.21Å; L221-L234 PolarHBondContact N-O 3.12Å; L222-L234 HydrophobicContact CB-CB 4.01Å; L222-L234 HydrophobicContact CD2-CB 3.91Å; L222-L234 HydrophobicContact CD2-CD2 4.48Å; L222-L234 HydrophobicContact CG-CB 4.17Å; L222-L234 PolarHBondContact N-O 3.09Å; L222-L234 PolarHBondContact O-N 3.29Å; L234-L241 HydrophobicContact CD1-CD1 4.04Å; L234-L241 HydrophobicContact CD1-CD2 3.81Å; L234-L241 HydrophobicContact CD1-CG 3.63Å; L234-L241 HydrophobicContact CD2-CD1 4.41Å; L234-L241 HydrophobicContact CD2-CD2 4.26Å; L234-L241 HydrophobicContact CG-CD1 3.96Å; L234-L241 HydrophobicContact CG-CD2 4.28Å; L234-L241 HydrophobicContact CG-CG 4.12Å; L234-F243 HydrophobicContact CD1-CB 4.29Å; L234-F243 HydrophobicContact CD1-CD2 4.25Å; L234-V275 HydrophobicContact CD2-CG1 4.02Å; L234-I277 HydrophobicContact CD1-CD1 4.33Å; L234-I277 HydrophobicContact CD2-CD1 4.24Å; L234-F286 HydrophobicContact CD1-CE2 3.87Å; L234-F286 HydrophobicContact CD1-CZ 3.79Å
235	E	93.4	Very high	83.9	Confident	17 Å²	17	37.4 Å²	37.4	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.7	-173.1	-171.1	175.4	-174.8	0	0	110.7	I220 T233 I237 V242 F244 R326	I220-E235 HydrophobicContact CG1-CG 4.03Å; T233-E235 HydrophobicContact CG2-CB 4.44Å; E235-I237 HydrophobicContact CB-CG1 4.26Å; E235-I237 HydrophobicContact CG-CD1 4.18Å; E235-I237 HydrophobicContact CG-CG1 3.7Å; E235-V242 PolarHBondContact N-O 2.71Å; E235-V242 PolarHBondContact O-N 2.71Å; E235-F244 HydrophobicContact CB-CE2 4.25Å; E235-R326 WeakPolarHBondContact OE2-CD 3.43Å; E235-R326 IonicContact OE2-CZ 3.77Å; E235-R326 IonicContact OE2-NE 2.77Å; E235-R326 IonicContact OE2-NH1 3.83Å; E235-R326 PolarHBondContact OE2-NH1 3.15Å
236	L	94.4	Very high	83.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122	165.8	-170.6	71.2	0	0	0	107.9	F212 A214 Q216 N218 G219 L221 K240 L241 L267	F212-L236 HydrophobicContact CE2-CD1 4.38Å; A214-L236 HydrophobicContact CB-CD2 3.54Å; Q216-L236 VanDerWaalsContact O-CD2 3.29Å; Q216-L236 WeakPolarHBondContact O-CD2 3.48Å; N218-L236 CarbonylContact C-O 3.53Å; N218-L236 WeakPolarHBondContact CA-O 3.26Å; G219-L236 PolarHBondContact N-O 3.4Å; G219-L236 PolarHBondContact O-N 3.47Å; L221-L236 HydrophobicContact CD1-CB 3.9Å; L236-K240 CarbonylContact C-O 3.6Å; L236-K240 WeakPolarHBondContact CA-O 3.28Å; L236-L241 HydrophobicContact CD1-CD1 4.44Å; L236-L267 HydrophobicContact CD1-CB 3.98Å; L236-L267 HydrophobicContact CD1-CD1 4.24Å
237	I	92.1	Very high	82.9	Confident	53 Å²	53	38 Å²	38	27%	0.272	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.1	178.7	-56.7	-178.4	0	0	0	108.2	S217 N218 E235 G239 K240 V242 F244	S217-I237 CarbonylContact O-C 3.5Å; N218-I237 WeakPolarHBondContact OD1-CA 3.36Å; E235-I237 HydrophobicContact CB-CG1 4.26Å; E235-I237 HydrophobicContact CG-CD1 4.18Å; E235-I237 HydrophobicContact CG-CG1 3.7Å; I237-G239 PolarHBondContact O-N 2.88Å; I237-K240 PolarHBondContact N-O 2.96Å; I237-K240 WeakPolarHBondContact O-CB 3.45Å; I237-K240 PolarHBondContact O-N 2.88Å; I237-V242 HydrophobicContact CB-CG2 4.17Å; I237-V242 HydrophobicContact CD1-CB 4.22Å; I237-V242 HydrophobicContact CD1-CG2 4.01Å; I237-V242 HydrophobicContact CG1-CG2 4.19Å; I237-F244 HydrophobicContact CD1-CE2 4.12Å; I237-F244 HydrophobicContact CD1-CZ 4.04Å
238	K	90.1	Very high	82.3	Confident	121 Å²	121	31.7 Å²	31.7	53%	0.526	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	40.3	-178.4	-59.7	-177.6	168.1	-164.6	0	113.3	S217 N218 K240 Q452	S217-K238 WeakPolarHBondContact O-CA 3.47Å; S217-K238 PolarHBondContact O-N 3.16Å; N218-K238 PolarHBondContact OD1-N 2.78Å; K238-K240 VanDerWaalsContact C-N 3.28Å; K238-K240 PolarHBondContact O-N 2.88Å; K238-Q452 HydrophobicContact CB-CG 4.32Å
239	G	90.6	Very high	81.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	9	-178.6	0	0	0	0	0	115.1	S217 I237 S265 L266 L267	S217-G239 PolarHBondContact O-N 2.84Å; I237-G239 PolarHBondContact O-N 2.88Å; G239-S265 CarbonylContact O-C 3.55Å; G239-L266 PolarHBondContact O-N 2.77Å; G239-L266 VanDerWaalsContact O-N 3.1Å; G239-L267 WeakPolarHBondContact O-CB 3.37Å; G239-L267 WeakPolarHBondContact O-CG 3.47Å; G239-L267 PolarHBondContact O-N 2.99Å
240	K	92.4	Very high	80.5	Confident	68 Å²	68	35.3 Å²	35.3	30%	0.296	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	142.6	175.3	-54.4	-178.2	-178.2	-172	0	110.1	L236 I237 K238 T262 L552	L236-K240 CarbonylContact C-O 3.6Å; L236-K240 WeakPolarHBondContact CA-O 3.28Å; I237-K240 PolarHBondContact N-O 2.96Å; I237-K240 WeakPolarHBondContact O-CB 3.45Å; I237-K240 PolarHBondContact O-N 2.88Å; K238-K240 VanDerWaalsContact C-N 3.28Å; K238-K240 PolarHBondContact O-N 2.88Å; K240-T262 HydrophobicContact CB-CG2 3.76Å; K240-T262 HydrophobicContact CD-CG2 4.15Å; K240-L552 HydrophobicContact CD-CD1 3.62Å; K240-L552 VanDerWaalsContact CE-CD1 3.45Å; K240-L552 HydrophobicContact CG-CD1 4.37Å; K240-L552 VanDerWaalsContact NZ-CD1 3.3Å
241	L	93.2	Very high	78.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.5	180	-160.3	66.7	0	0	0	109.9	F212 L221 L234 L236 T262 L263 L267 V275 F286 V288	F212-L241 HydrophobicContact CE1-CD1 4.46Å; F212-L241 HydrophobicContact CE1-CD2 4.15Å; F212-L241 HydrophobicContact CZ-CD1 4.39Å; L221-L241 HydrophobicContact CD1-CD1 4.27Å; L221-L241 HydrophobicContact CD2-CD1 4.07Å; L234-L241 HydrophobicContact CD1-CD1 4.04Å; L234-L241 HydrophobicContact CD1-CD2 3.81Å; L234-L241 HydrophobicContact CD1-CG 3.63Å; L234-L241 HydrophobicContact CD2-CD1 4.41Å; L234-L241 HydrophobicContact CD2-CD2 4.26Å; L234-L241 HydrophobicContact CG-CD1 3.96Å; L234-L241 HydrophobicContact CG-CD2 4.28Å; L234-L241 HydrophobicContact CG-CG 4.12Å; L236-L241 HydrophobicContact CD1-CD1 4.44Å; L241-T262 CarbonylContact O-C 3.54Å; L241-T262 WeakPolarHBondContact O-CA 3.48Å; L241-L263 WeakPolarHBondContact CA-O 3.23Å; L241-L263 VanDerWaalsContact CB-O 3.25Å; L241-L263 WeakPolarHBondContact CB-O 3.43Å; L241-L263 PolarHBondContact N-O 3.24Å; L241-L263 VanDerWaalsContact N-O 3.07Å; L241-L263 PolarHBondContact O-N 3.29Å; L241-L267 HydrophobicContact CB-CD1 3.69Å; L241-V275 HydrophobicContact CD2-CG1 4.23Å; L241-V275 HydrophobicContact CD2-CG2 3.51Å; L241-F286 HydrophobicContact CB-CZ 4.46Å; L241-F286 HydrophobicContact CD2-CE2 4.12Å; L241-F286 HydrophobicContact CD2-CZ 3.79Å; L241-F286 HydrophobicContact CG-CZ 4.08Å; L241-V288 HydrophobicContact CB-CG2 4.49Å; L241-V288 HydrophobicContact CD2-CG2 3.71Å
242	V	91.6	Very high	76.9	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.9	-177.3	-170.3	0	0	0	0	109.6	E235 I237 F244 T260 L261 T262	E235-V242 PolarHBondContact N-O 2.71Å; E235-V242 PolarHBondContact O-N 2.71Å; I237-V242 HydrophobicContact CB-CG2 4.17Å; I237-V242 HydrophobicContact CD1-CB 4.22Å; I237-V242 HydrophobicContact CD1-CG2 4.01Å; I237-V242 HydrophobicContact CG1-CG2 4.19Å; V242-F244 HydrophobicContact CB-CE2 3.89Å; V242-F244 HydrophobicContact CB-CZ 4.16Å; V242-F244 HydrophobicContact CG1-CD1 4.42Å; V242-F244 HydrophobicContact CG1-CD2 4.07Å; V242-F244 HydrophobicContact CG1-CE1 3.88Å; V242-F244 HydrophobicContact CG1-CE2 3.49Å; V242-F244 VanDerWaalsContact CG1-CE2 3.49Å; V242-F244 HydrophobicContact CG1-CZ 3.38Å; V242-T260 HydrophobicContact CG1-CG2 3.55Å; V242-L261 CarbonylContact C-O 3.54Å; V242-L261 WeakPolarHBondContact CA-O 3.3Å; V242-T262 HydrophobicContact CG2-CG2 4.18Å
243	F	89.9	Confident	74.6	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.9	174	-177.8	-107.7	0	0	0	109.6	I232 L234 L245 L261 I277 L279 V284 F286 F295	I232-F243 HydrophobicContact CG2-CD2 4.46Å; I232-F243 HydrophobicContact CG2-CE2 3.45Å; I232-F243 VanDerWaalsContact CG2-CE2 3.45Å; I232-F243 HydrophobicContact CG2-CZ 3.84Å; L234-F243 HydrophobicContact CD1-CB 4.29Å; L234-F243 HydrophobicContact CD1-CD2 4.25Å; F243-L245 HydrophobicContact CE1-CB 3.9Å; F243-L245 HydrophobicContact CZ-CB 4.45Å; F243-L261 PolarHBondContact N-O 3.2Å; F243-L261 PolarHBondContact O-N 3.07Å; F243-I277 HydrophobicContact CD2-CD1 4.03Å; F243-I277 HydrophobicContact CE2-CD1 3.95Å; F243-I277 HydrophobicContact CE2-CG2 4.19Å; F243-I277 HydrophobicContact CZ-CG2 4.26Å; F243-L279 HydrophobicContact CZ-CD2 4.44Å; F243-V284 HydrophobicContact CE1-CG1 4.15Å; F243-F286 HydrophobicContact CB-CD1 4.08Å; F243-F286 HydrophobicContact CB-CE1 3.83Å; F243-F286 HydrophobicContact CB-CZ 4.08Å; F243-F295 HydrophobicContact CD1-CZ 4.32Å; F243-F295 HydrophobicContact CE1-CZ 4.22Å
244	F	86.6	Confident	72	Confident	36 Å²	36	58.2 Å²	58.2	16%	0.158	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.2	176.2	-62	-82.7	0	0	0	109.7	I232 T233 E235 I237 V242 T260	I232-F244 WeakPolarHBondContact CA-O 3.46Å; T233-F244 PolarHBondContact N-O 2.84Å; T233-F244 PolarHBondContact O-N 3.26Å; E235-F244 HydrophobicContact CB-CE2 4.25Å; I237-F244 HydrophobicContact CD1-CE2 4.12Å; I237-F244 HydrophobicContact CD1-CZ 4.04Å; V242-F244 HydrophobicContact CB-CE2 3.89Å; V242-F244 HydrophobicContact CB-CZ 4.16Å; V242-F244 HydrophobicContact CG1-CD1 4.42Å; V242-F244 HydrophobicContact CG1-CD2 4.07Å; V242-F244 HydrophobicContact CG1-CE1 3.88Å; V242-F244 HydrophobicContact CG1-CE2 3.49Å; V242-F244 VanDerWaalsContact CG1-CE2 3.49Å; V242-F244 HydrophobicContact CG1-CZ 3.38Å; F244-T260 HydrophobicContact CD1-CG2 3.91Å; F244-T260 HydrophobicContact CE1-CG2 3.53Å; F244-T260 HydrophobicContact CZ-CG2 4.27Å
245	L	82.1	Confident	69.4	Low	5 Å²	5	65.3 Å²	65.3	3%	0.026	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.2	172.9	-176.1	67.4	0	0	0	109.8	I232 F243 V259 V284 A297 L304	I232-L245 HydrophobicContact CD1-CD1 4.16Å; I232-L245 HydrophobicContact CG1-CD1 3.7Å; F243-L245 HydrophobicContact CE1-CB 3.9Å; F243-L245 HydrophobicContact CZ-CB 4.45Å; L245-V259 HydrophobicContact CB-CB 4.45Å; L245-V259 PolarHBondContact N-O 2.69Å; L245-V259 PolarHBondContact O-N 2.74Å; L245-V284 HydrophobicContact CD2-CG2 4.29Å; L245-A297 HydrophobicContact CD2-CB 4.06Å; L245-L304 HydrophobicContact CD1-CD1 3.99Å; L245-L304 HydrophobicContact CD1-CD2 3.61Å; L245-L304 HydrophobicContact CD1-CG 4.45Å
246	N	73.3	Confident	67.1	Low	50 Å²	50	69.8 Å²	69.8	27%	0.267	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.2	174.5	-173	13	0	0	0	110.9	G229 N230 H231 G248	G229-N246 PolarHBondContact O-ND2 2.91Å; N230-N246 WeakPolarHBondContact CA-O 3.19Å; H231-N246 PolarHBondContact N-O 3.15Å; H231-N246 PolarHBondContact O-N 3.08Å; N246-G248 PolarHBondContact OD1-N 2.82Å
247	S	60.1	Low	65	Low	56 Å²	56	73.5 Å²	73.5	39%	0.392	42%	0.423	S	S	.	.			trans	-99.1	4.4	-178.7	-60.3	0	0	0	0	114.8	N230	N230-S247 PolarHBondContact OD1-O 2.81Å; N230-S247 VanDerWaalsContact OD1-O 3.13Å
248	G	50.4	Low	63.4	Low	22 Å²	22	75.2 Å²	75.2	23%	0.227	44%	0.437	C	S	.	.			trans	55.8	102.5	163.5	0	0	0	0	0	117.4	N230 N246	N230-G248 WeakPolarHBondContact OD1-CA 3.5Å; N230-G248 PolarHBondContact OD1-N 2.98Å; N246-G248 PolarHBondContact OD1-N 2.82Å
249	N	46.3	Very low	62.4	Low	147 Å²	147	71.7 Å²	71.7	79%	0.786	43%	0.426	S	S	*	.			trans	-156.9	90.7	151.2	-105.2	-24.2	0	0	0	110.1	S254	N249-S254 PolarHBondContact O-OG 2.81Å
250	A	43.5	Very low	61.9	Low	98 Å²	98	75.4 Å²	75.4	81%	0.81	45%	0.448	S	S	*	.			trans	-105.6	55.3	178.8	0	0	0	0	0	111.7
251	K	39.1	Very low	61.5	Low	200 Å²	200	73.2 Å²	73.2	87%	0.87	44%	0.44	S	S	*	.	S	Bend	trans	-128.4	1	168.3	-80.1	-169.9	177.9	178.8	0	115.2
252	L	38.8	Very low	61.2	Low	145 Å²	145	75.9 Å²	75.9	76%	0.759	46%	0.456	S	S	*	.	S	Bend	trans	-125.7	158.7	160.6	-125.3	71.8	0	0	0	106.6	S254	L252-S254 PolarHBondContact O-N 3.34Å; L252-S254 PolarHBondContact O-OG 3.42Å
253	P	37.2	Very low	61.1	Low	127 Å²	127	76.6 Å²	76.6	83%	0.825	46%	0.46	S	S	*	.			trans	-67.3	85.5	170.2	21.7	-14.4	0	0	0	107.4	T255	P253-T255 PolarHBondContact O-N 2.74Å
254	S	33.2	Very low	60.9	Low	68 Å²	68	77.8 Å²	77.8	48%	0.476	47%	0.472	S	S	.	.			trans	-77.1	116.4	-177.5	38.7	0	0	0	0	108.3	N249 L252 I256	N249-S254 PolarHBondContact O-OG 2.81Å; L252-S254 PolarHBondContact O-N 3.34Å; L252-S254 PolarHBondContact O-OG 3.42Å; S254-I256 PolarHBondContact O-N 2.8Å
255	T	38.1	Very low	61	Low	149 Å²	149	77.2 Å²	77.2	91%	0.914	47%	0.472	S	S	*	.			trans	-68.5	14.2	173.3	32.4	0	0	0	0	113.7	P253	P253-T255 PolarHBondContact O-N 2.74Å
256	I	47.1	Very low	61.5	Low	112 Å²	112	78 Å²	78	57%	0.574	48%	0.476	S	S	*	.			trans	-107.2	105.5	-171	-53.1	177.6	0	0	0	109.3	S254	S254-I256 PolarHBondContact O-N 2.8Å
257	A	48.3	Very low	62.4	Low	78 Å²	78	75.8 Å²	75.8	65%	0.645	47%	0.465	S	S	*	.			trans	-67.2	144.7	177.5	0	0	0	0	0	111.8
258	P	59.4	Low	63.9	Low	89 Å²	89	73.7 Å²	73.7	58%	0.578	45%	0.449	S	S	*	.			trans	-59.5	139.5	173.4	23.8	-32.1	0	0	0	111	T260	P258-T260 PolarHBondContact O-N 2.62Å
259	V	69.8	Low	65.8	Low	47 Å²	47	74 Å²	74	29%	0.285	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.9	178.7	-176.5	0	0	0	0	108.4	L245 F295	L245-V259 HydrophobicContact CB-CB 4.45Å; L245-V259 PolarHBondContact N-O 2.69Å; L245-V259 PolarHBondContact O-N 2.74Å; V259-F295 HydrophobicContact CG1-CD2 4.17Å; V259-F295 HydrophobicContact CG1-CE2 3.63Å; V259-F295 HydrophobicContact CG1-CZ 4.06Å
260	T	80.4	Confident	67.8	Low	77 Å²	77	67.7 Å²	67.7	47%	0.472	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.4	175	-56	0	0	0	0	107.9	V242 F244 P258	V242-T260 HydrophobicContact CG1-CG2 3.55Å; F244-T260 HydrophobicContact CD1-CG2 3.91Å; F244-T260 HydrophobicContact CE1-CG2 3.53Å; F244-T260 HydrophobicContact CZ-CG2 4.27Å; P258-T260 PolarHBondContact O-N 2.62Å
261	L	82.8	Confident	70.1	Confident	22 Å²	22	63.9 Å²	63.9	12%	0.115	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	179.1	-179.6	62.6	0	0	0	109.5	V242 F243 L263 F286 H293 F295	V242-L261 CarbonylContact C-O 3.54Å; V242-L261 WeakPolarHBondContact CA-O 3.3Å; F243-L261 PolarHBondContact N-O 3.2Å; F243-L261 PolarHBondContact O-N 3.07Å; L261-L263 HydrophobicContact CG-CG 4.44Å; L261-F286 HydrophobicContact CD2-CB 3.97Å; L261-F286 HydrophobicContact CD2-CD1 3.57Å; L261-F286 HydrophobicContact CD2-CG 4.26Å; L261-F286 HydrophobicContact CG-CD1 3.98Å; L261-H293 HydrophobicContact CD2-CB 4.06Å; L261-F295 HydrophobicContact CD2-CD1 3.68Å; L261-F295 HydrophobicContact CD2-CE1 3.47Å; L261-F295 VanDerWaalsContact CD2-CE1 3.47Å
262	T	87.9	Confident	72.6	Confident	56 Å²	56	56 Å²	56	34%	0.344	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.7	176.8	-56.4	0	0	0	0	109	K240 L241 V242	K240-T262 HydrophobicContact CB-CG2 3.76Å; K240-T262 HydrophobicContact CD-CG2 4.15Å; L241-T262 CarbonylContact O-C 3.54Å; L241-T262 WeakPolarHBondContact O-CA 3.48Å; V242-T262 HydrophobicContact CG2-CG2 4.18Å
263	L	87.9	Confident	75.3	Confident	25 Å²	25	49.4 Å²	49.4	13%	0.131	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.4	172.6	-71.9	-176.7	0	0	0	111.3	L241 L261 F286 V288 H293	L241-L263 WeakPolarHBondContact CA-O 3.23Å; L241-L263 VanDerWaalsContact CB-O 3.25Å; L241-L263 WeakPolarHBondContact CB-O 3.43Å; L241-L263 PolarHBondContact N-O 3.24Å; L241-L263 VanDerWaalsContact N-O 3.07Å; L241-L263 PolarHBondContact O-N 3.29Å; L261-L263 HydrophobicContact CG-CG 4.44Å; L263-F286 HydrophobicContact CB-CD1 4.05Å; L263-F286 HydrophobicContact CB-CE1 3.63Å; L263-F286 HydrophobicContact CB-CZ 4.32Å; L263-F286 HydrophobicContact CD1-CB 4.18Å; L263-F286 HydrophobicContact CD1-CD1 3.25Å; L263-F286 HydrophobicContact CD1-CE1 3.73Å; L263-F286 HydrophobicContact CD1-CG 3.78Å; L263-F286 WeakPolarHBondContact CD1-O 3.33Å; L263-F286 HydrophobicContact CG-CD1 3.67Å; L263-F286 HydrophobicContact CG-CE1 3.76Å; L263-V288 HydrophobicContact CB-CB 4.23Å; L263-V288 HydrophobicContact CB-CG2 3.7Å; L263-V288 HydrophobicContact CD1-CG2 4.38Å; L263-H293 HydrophobicContact CD1-CB 3.74Å; L263-H293 HydrophobicContact CD2-CB 4.05Å; L263-H293 HydrophobicContact CG-CB 4.31Å
264	G	86.1	Confident	78	Confident	25 Å²	25	45.3 Å²	45.3	26%	0.258	28%	0.281	S	S	.	.			trans	70	157.4	-175.8	0	0	0	0	0	113.2
265	S	89.6	Confident	80.9	Confident	24 Å²	24	42.3 Å²	42.3	17%	0.168	26%	0.26	C	S	.	.	S	Bend	trans	-148	158	177.5	-169.7	0	0	0	0	109.4	G239 L267 D549	G239-S265 CarbonylContact O-C 3.55Å; S265-L267 PolarHBondContact O-N 3.29Å; S265-D549 WeakPolarHBondContact CB-OD2 3.44Å; S265-D549 PolarHBondContact OG-OD2 2.69Å
266	L	91.7	Very high	83.6	Confident	21 Å²	21	37.8 Å²	37.8	11%	0.11	23%	0.23	C	C	.	.			trans	55.4	31	-179	-53.9	165	0	0	0	113	G239 D268 D269 W401 G451 I547 D549	G239-L266 PolarHBondContact O-N 2.77Å; G239-L266 VanDerWaalsContact O-N 3.1Å; L266-D268 PolarHBondContact O-N 2.86Å; L266-D268 VanDerWaalsContact O-N 3.14Å; L266-D269 WeakPolarHBondContact O-CB 3.36Å; L266-D269 PolarHBondContact O-N 2.78Å; L266-W401 HydrophobicContact CD1-CZ2 4.42Å; L266-W401 HydrophobicContact CD2-CZ2 4.17Å; L266-W401 HydrophobicContact CG-CZ2 4.49Å; L266-G451 WeakPolarHBondContact CD2-O 3.4Å; L266-I547 HydrophobicContact CD1-CG2 3.95Å; L266-I547 HydrophobicContact CD2-CG2 4.29Å; L266-D549 HydrophobicContact CD1-CB 4.08Å; L266-D549 HydrophobicContact CG-CB 4.47Å
267	L	93	Very high	85.7	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.021	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	3.4	-177.3	-51.6	171.5	0	0	0	112.8	F212 L236 G239 L241 S265 D269 H273 V288	F212-L267 HydrophobicContact CE2-CB 4.15Å; F212-L267 HydrophobicContact CZ-CB 3.9Å; F212-L267 HydrophobicContact CZ-CD1 3.95Å; F212-L267 HydrophobicContact CZ-CG 4.42Å; L236-L267 HydrophobicContact CD1-CB 3.98Å; L236-L267 HydrophobicContact CD1-CD1 4.24Å; G239-L267 WeakPolarHBondContact O-CB 3.37Å; G239-L267 WeakPolarHBondContact O-CG 3.47Å; G239-L267 PolarHBondContact O-N 2.99Å; L241-L267 HydrophobicContact CB-CD1 3.69Å; S265-L267 PolarHBondContact O-N 3.29Å; L267-D269 VanDerWaalsContact C-N 3.26Å; L267-H273 VanDerWaalsContact CD2-CE1 3.48Å; L267-H273 WeakPolarHBondContact CD2-CE1 3.41Å; L267-H273 WeakPolarHBondContact CD2-ND1 3.39Å; L267-V288 HydrophobicContact CD1-CG1 4.33Å; L267-V288 HydrophobicContact CD2-CG1 4.43Å
268	D	91.2	Very high	87.7	Confident	12 Å²	12	30.5 Å²	30.5	6%	0.064	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	22.7	171.3	73.2	-34.5	0	0	0	112.2	L266 Q270 R399	L266-D268 PolarHBondContact O-N 2.86Å; L266-D268 VanDerWaalsContact O-N 3.14Å; D268-Q270 PolarHBondContact O-N 2.85Å; D268-R399 IonicContact OD1-NH1 2.96Å; D268-R399 PolarHBondContact OD1-NH1 2.61Å
269	D	89.5	Confident	88.8	Confident	28 Å²	28	27.2 Å²	27.2	15%	0.15	16%	0.158	C	C	.	.	S	Bend	trans	-76.4	0.2	-179.1	72.5	-0.2	0	0	0	113.9	N119 K121 L266 L267 H271 H273	N119-D269 PolarHBondContact ND2-O 3.46Å; K121-D269 IonicContact NZ-OD2 2.8Å; K121-D269 PolarHBondContact NZ-OD2 2.76Å; L266-D269 WeakPolarHBondContact O-CB 3.36Å; L266-D269 PolarHBondContact O-N 2.78Å; L267-D269 VanDerWaalsContact C-N 3.26Å; D269-H271 PolarHBondContact O-CE1 3.48Å; D269-H271 PolarHBondContact O-N 3.22Å; D269-H271 PolarHBondContact O-ND1 3.19Å; D269-H271 WeakPolarHBondContact OD1-CA 3.5Å; D269-H271 VanDerWaalsContact OD1-CB 3.27Å; D269-H271 WeakPolarHBondContact OD1-CB 3.35Å; D269-H271 IonicContact OD1-CG 2.66Å; D269-H271 PolarHBondContact OD1-N 2.96Å; D269-H271 IonicContact OD1-ND1 2.73Å; D269-H271 PolarHBondContact OD1-ND1 3.06Å; D269-H271 IonicContact OD2-CG 3.64Å; D269-H271 IonicContact OD2-ND1 3.15Å; D269-H271 PolarHBondContact OD2-ND1 3.36Å; D269-H273 IonicContact OD1-CD2 2.84Å; D269-H273 IonicContact OD1-CE1 3.65Å; D269-H273 IonicContact OD1-NE2 3.59Å; D269-H273 PolarHBondContact OD1-NE2 3.15Å; D269-H273 IonicContact OD2-CE1 3.5Å; D269-H273 IonicContact OD2-NE2 3.59Å; D269-H273 PolarHBondContact OD2-NE2 2.67Å
270	Q	89.9	Confident	89.2	Confident	15 Å²	15	27.7 Å²	27.7	7%	0.07	16%	0.158	C	C	.	.	S	Bend	trans	59.4	28.4	-174.4	-54.4	170.1	4.5	0	0	114.1	K213 M215 D268 P367 T369	K213-Q270 WeakPolarHBondContact CD-O 3.49Å; K213-Q270 WeakPolarHBondContact CE-O 3.16Å; K213-Q270 PolarHBondContact NZ-O 3.33Å; M215-Q270 HydrophobicContact SD-CG 4.12Å; D268-Q270 PolarHBondContact O-N 2.85Å; Q270-P367 HydrophobicContact CB-CG 4.12Å; Q270-T369 PolarHBondContact OE1-OG1 2.83Å
271	H	90.9	Very high	88.8	Confident	17 Å²	17	30 Å²	30	8%	0.079	17%	0.168	C	C	.	.	S	Bend	trans	-108.1	168.6	167.3	-62.6	87.5	0	0	0	110.8	N119 K121 K213 D269 H273	N119-H271 PolarHBondContact ND2-CE1 3.16Å; N119-H271 VanDerWaalsContact ND2-CE1 3.26Å; N119-H271 PolarHBondContact O-CE1 2.84Å; N119-H271 PolarHBondContact O-NE2 2.9Å; K121-H271 HydrophobicContact CD-CB 3.84Å; K213-H271 WeakPolarHBondContact CA-O 3.26Å; D269-H271 PolarHBondContact O-CE1 3.48Å; D269-H271 PolarHBondContact O-N 3.22Å; D269-H271 PolarHBondContact O-ND1 3.19Å; D269-H271 WeakPolarHBondContact OD1-CA 3.5Å; D269-H271 VanDerWaalsContact OD1-CB 3.27Å; D269-H271 WeakPolarHBondContact OD1-CB 3.35Å; D269-H271 IonicContact OD1-CG 2.66Å; D269-H271 PolarHBondContact OD1-N 2.96Å; D269-H271 IonicContact OD1-ND1 2.73Å; D269-H271 PolarHBondContact OD1-ND1 3.06Å; D269-H271 IonicContact OD2-CG 3.64Å; D269-H271 IonicContact OD2-ND1 3.15Å; D269-H271 PolarHBondContact OD2-ND1 3.36Å; H271-H273 PolarHBondContact O-CD2 2.72Å
272	W	92.3	Very high	88.1	Confident	35 Å²	35	31 Å²	31	13%	0.133	18%	0.175	C	C	.	.			trans	-76.7	135.9	172.9	-66.9	102.9	0	0	0	110.7	R88 D115 V183 K211 F212 K213 C332 E334 C364	R88-W272 VanDerWaalsContact CZ-CD1 3.46Å; D115-W272 PolarHBondContact OD2-NE1 2.86Å; V183-W272 HydrophobicContact CG1-CH2 3.75Å; V183-W272 HydrophobicContact CG1-CZ2 4.25Å; V183-W272 HydrophobicContact CG2-CH2 4.23Å; V183-W272 HydrophobicContact CG2-CZ2 4.27Å; K211-W272 HydrophobicContact CB-CE3 4.06Å; F212-W272 CarbonylContact O-C 3.53Å; F212-W272 WeakPolarHBondContact O-CA 3.4Å; K213-W272 HydrophobicContact CB-CD2 3.86Å; K213-W272 HydrophobicContact CB-CE3 3.71Å; K213-W272 HydrophobicContact CB-CG 4.48Å; K213-W272 HydrophobicContact CB-CH2 4.22Å; K213-W272 HydrophobicContact CB-CZ2 4.35Å; K213-W272 HydrophobicContact CB-CZ3 3.89Å; K213-W272 HydrophobicContact CD-CD2 4.5Å; K213-W272 HydrophobicContact CD-CZ2 4.47Å; W272-C332 HydrophobicContact CH2-CB 3.45Å; W272-C332 VanDerWaalsContact CH2-CB 3.45Å; W272-C332 HydrophobicContact CZ2-CB 4.19Å; W272-C332 HydrophobicContact CZ3-CB 4.06Å; W272-E334 HydrophobicContact CE3-CB 3.96Å; W272-E334 HydrophobicContact CH2-CB 3.6Å; W272-E334 HydrophobicContact CZ2-CB 4.33Å; W272-E334 HydrophobicContact CZ3-CB 3.4Å; W272-C364 HydrophobicContact CZ2-CB 4.41Å
273	H	94	Very high	87.5	Confident	6 Å²	6	33.8 Å²	33.8	3%	0.028	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.9	172.3	-66.3	-80.9	0	0	0	109.6	K121 K211 F212 L267 D269 H271 D289	K121-H273 PolarHBondContact NZ-CE1 2.68Å; K211-H273 CarbonylContact C-O 3.44Å; K211-H273 WeakPolarHBondContact CA-O 3.44Å; F212-H273 HydrophobicContact CD1-CB 4.11Å; F212-H273 HydrophobicContact CE1-CB 3.67Å; F212-H273 HydrophobicContact CZ-CB 3.9Å; F212-H273 PolarHBondContact N-O 2.94Å; F212-H273 PolarHBondContact O-N 3.14Å; L267-H273 VanDerWaalsContact CD2-CE1 3.48Å; L267-H273 WeakPolarHBondContact CD2-CE1 3.41Å; L267-H273 WeakPolarHBondContact CD2-ND1 3.39Å; D269-H273 IonicContact OD1-CD2 2.84Å; D269-H273 IonicContact OD1-CE1 3.65Å; D269-H273 IonicContact OD1-NE2 3.59Å; D269-H273 PolarHBondContact OD1-NE2 3.15Å; D269-H273 IonicContact OD2-CE1 3.5Å; D269-H273 IonicContact OD2-NE2 3.59Å; D269-H273 PolarHBondContact OD2-NE2 2.67Å; H271-H273 PolarHBondContact O-CD2 2.72Å; H273-D289 WeakPolarHBondContact CA-OD1 3.42Å; H273-D289 WeakPolarHBondContact CB-OD1 3.34Å; H273-D289 IonicContact CE1-OD2 2.66Å; H273-D289 IonicContact CG-OD1 3.28Å; H273-D289 IonicContact CG-OD2 3.42Å; H273-D289 IonicContact ND1-OD1 3.17Å; H273-D289 IonicContact ND1-OD2 3.71Å; H273-D289 PolarHBondContact ND1-OD2 3.1Å
274	S	93.9	Very high	87.3	Confident	42 Å²	42	32.8 Å²	32.8	29%	0.294	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141.3	179	57.3	0	0	0	0	111.7	V288 D289	S274-V288 CarbonylContact O-C 3.59Å; S274-V288 WeakPolarHBondContact O-CA 3.17Å; S274-D289 PolarHBondContact N-OD1 2.78Å; S274-D289 PolarHBondContact O-N 2.96Å; S274-D289 WeakPolarHBondContact OG-CA 3.2Å; S274-D289 PolarHBondContact OG-O 3.1Å
275	V	95.4	Very high	87.5	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.2	176.6	-178.8	0	0	0	0	108.8	S209 L210 F212 L234 L241 I277 F286 T287	S209-V275 WeakPolarHBondContact CA-O 3.4Å; L210-V275 HydrophobicContact CD1-CB 3.97Å; L210-V275 HydrophobicContact CD1-CG2 4.1Å; L210-V275 HydrophobicContact CG-CB 4.26Å; L210-V275 PolarHBondContact N-O 3.43Å; L210-V275 PolarHBondContact O-N 2.8Å; F212-V275 HydrophobicContact CD1-CG2 3.7Å; F212-V275 HydrophobicContact CE1-CG2 3.61Å; L234-V275 HydrophobicContact CD2-CG1 4.02Å; L241-V275 HydrophobicContact CD2-CG1 4.23Å; L241-V275 HydrophobicContact CD2-CG2 3.51Å; V275-I277 HydrophobicContact CG1-CD1 4.29Å; V275-I277 HydrophobicContact CG1-CG1 4.18Å; V275-F286 HydrophobicContact CG1-CE2 3.91Å; V275-T287 WeakPolarHBondContact CA-O 3.31Å
276	L	94.1	Very high	87.5	Confident	55 Å²	55	31.8 Å²	31.8	29%	0.288	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.7	171.7	174.4	67.9	0	0	0	108.9	V207 I208 E278 T287	V207-L276 HydrophobicContact CG1-CD1 3.85Å; I208-L276 WeakPolarHBondContact O-CA 3.48Å; L276-E278 HydrophobicContact CD1-CG 4.14Å; L276-E278 HydrophobicContact CD2-CG 4.32Å; L276-E278 HydrophobicContact CG-CG 4.04Å; L276-T287 PolarHBondContact N-O 2.8Å; L276-T287 PolarHBondContact O-N 2.91Å
277	I	91.7	Very high	87.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.2	174.3	-60.4	161.2	0	0	0	107.2	V207 I208 L222 L234 F243 V275 L279 N285 F286	V207-I277 WeakPolarHBondContact CA-O 3.28Å; I208-I277 HydrophobicContact CB-CB 4.31Å; I208-I277 PolarHBondContact N-O 2.98Å; I208-I277 PolarHBondContact O-N 2.86Å; L222-I277 HydrophobicContact CD2-CD1 4.27Å; L234-I277 HydrophobicContact CD1-CD1 4.33Å; L234-I277 HydrophobicContact CD2-CD1 4.24Å; F243-I277 HydrophobicContact CD2-CD1 4.03Å; F243-I277 HydrophobicContact CE2-CD1 3.95Å; F243-I277 HydrophobicContact CE2-CG2 4.19Å; F243-I277 HydrophobicContact CZ-CG2 4.26Å; V275-I277 HydrophobicContact CG1-CD1 4.29Å; V275-I277 HydrophobicContact CG1-CG1 4.18Å; I277-L279 HydrophobicContact CG2-CD1 4.23Å; I277-L279 HydrophobicContact CG2-CG 4.06Å; I277-N285 WeakPolarHBondContact CA-O 3.48Å; I277-F286 HydrophobicContact CD1-CD2 4.42Å; I277-F286 HydrophobicContact CD1-CE2 4.39Å; I277-F286 HydrophobicContact CG1-CD2 3.65Å; I277-F286 HydrophobicContact CG1-CE2 4.04Å
278	E	89.7	Confident	87.5	Confident	36 Å²	36	31.6 Å²	31.6	17%	0.168	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121	171.8	-47.2	-178.8	99.4	0	0	109.3	R205 V207 L276 V284 N285	R205-E278 IonicContact CZ-OE1 3.85Å; R205-E278 IonicContact NH2-OE1 3.65Å; R205-E278 PolarHBondContact NH2-OE1 3.01Å; V207-E278 HydrophobicContact CG1-CG 4.42Å; L276-E278 HydrophobicContact CD1-CG 4.14Å; L276-E278 HydrophobicContact CD2-CG 4.32Å; L276-E278 HydrophobicContact CG-CG 4.04Å; E278-V284 CarbonylContact O-C 3.51Å; E278-V284 WeakPolarHBondContact O-CA 3.27Å; E278-N285 HydrophobicContact CB-CB 4.11Å; E278-N285 HydrophobicContact CG-CB 4.47Å; E278-N285 PolarHBondContact N-O 2.95Å; E278-N285 PolarHBondContact O-N 3.46Å; E278-N285 PolarHBondContact OE2-ND2 3.02Å
279	L	83.7	Confident	87.3	Confident	21 Å²	21	33.8 Å²	33.8	11%	0.11	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114.5	177.8	-64.3	156	0	0	0	107.2	R205 D206 I232 F243 I277 V284	R205-L279 CarbonylContact C-O 3.59Å; R205-L279 VanDerWaalsContact CA-O 3.25Å; R205-L279 WeakPolarHBondContact CA-O 3.19Å; D206-L279 HydrophobicContact CB-CB 4.11Å; D206-L279 HydrophobicContact CB-CD1 3.97Å; D206-L279 PolarHBondContact N-O 3.34Å; D206-L279 PolarHBondContact O-N 3.22Å; I232-L279 HydrophobicContact CD1-CD1 3.77Å; F243-L279 HydrophobicContact CZ-CD2 4.44Å; I277-L279 HydrophobicContact CG2-CD1 4.23Å; I277-L279 HydrophobicContact CG2-CG 4.06Å; L279-V284 HydrophobicContact CD2-CB 4.13Å; L279-V284 HydrophobicContact CD2-CG1 3.64Å; L279-V284 HydrophobicContact CD2-CG2 3.58Å
280	L	78.5	Confident	86.8	Confident	57 Å²	57	38 Å²	38	30%	0.298	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	99.4	-179.6	-76.8	154.9	0	0	0	108.6	R205 T282 Q283	R205-L280 HydrophobicContact CB-CD2 3.9Å; R205-L280 HydrophobicContact CG-CD2 3.59Å; R205-L280 HydrophobicContact CG-CG 4.02Å; L280-T282 PolarHBondContact O-N 3.11Å; L280-Q283 HydrophobicContact CB-CB 4.49Å; L280-Q283 PolarHBondContact N-O 3.11Å; L280-Q283 PolarHBondContact O-N 3.2Å
281	D	70.7	Confident	86.4	Confident	126 Å²	126	41 Å²	41	67%	0.674	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	-95.9	-173.1	-64.4	-37.2	0	0	0	114
282	T	67.8	Low	86.1	Confident	42 Å²	42	43.2 Å²	43.2	26%	0.258	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-10.7	176.1	58.4	0	0	0	0	113	L280 Q296 A297	L280-T282 PolarHBondContact O-N 3.11Å; T282-Q296 CarbonylContact O-C 3.56Å; T282-Q296 WeakPolarHBondContact O-CA 3.3Å; T282-Q296 PolarHBondContact OG1-NE2 3.09Å; T282-A297 PolarHBondContact O-N 3.22Å
283	Q	76.3	Confident	85.6	Confident	115 Å²	115	45.3 Å²	45.3	54%	0.537	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.9	178.5	-69.1	-174.9	-20.3	0	0	110.4	L280	L280-Q283 HydrophobicContact CB-CB 4.49Å; L280-Q283 PolarHBondContact N-O 3.11Å; L280-Q283 PolarHBondContact O-N 3.2Å
284	V	83.1	Confident	85.2	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.8	176.8	-172.5	0	0	0	0	108.6	F243 L245 E278 L279 F295	F243-V284 HydrophobicContact CE1-CG1 4.15Å; L245-V284 HydrophobicContact CD2-CG2 4.29Å; E278-V284 CarbonylContact O-C 3.51Å; E278-V284 WeakPolarHBondContact O-CA 3.27Å; L279-V284 HydrophobicContact CD2-CB 4.13Å; L279-V284 HydrophobicContact CD2-CG1 3.64Å; L279-V284 HydrophobicContact CD2-CG2 3.58Å; V284-F295 HydrophobicContact CB-CD1 4.01Å; V284-F295 HydrophobicContact CB-CD2 4.3Å; V284-F295 HydrophobicContact CB-CE1 3.51Å; V284-F295 HydrophobicContact CB-CE2 3.8Å; V284-F295 HydrophobicContact CB-CG 4.4Å; V284-F295 HydrophobicContact CB-CZ 3.4Å; V284-F295 VanDerWaalsContact CB-CZ 3.4Å; V284-F295 HydrophobicContact CG1-CD1 4.42Å; V284-F295 HydrophobicContact CG1-CE1 3.55Å; V284-F295 HydrophobicContact CG1-CE2 4.42Å; V284-F295 HydrophobicContact CG1-CZ 3.56Å; V284-F295 HydrophobicContact CG2-CD2 4.38Å; V284-F295 HydrophobicContact CG2-CE1 4.3Å; V284-F295 HydrophobicContact CG2-CE2 3.69Å; V284-F295 HydrophobicContact CG2-CZ 3.68Å; V284-F295 PolarHBondContact N-O 3.34Å; V284-F295 PolarHBondContact O-N 3.23Å
285	N	89.6	Confident	84.3	Confident	28 Å²	28	50.7 Å²	50.7	15%	0.15	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.1	168.7	-58.9	-16.7	0	0	0	107.5	I277 E278 T292 H294	I277-N285 WeakPolarHBondContact CA-O 3.48Å; E278-N285 HydrophobicContact CB-CB 4.11Å; E278-N285 HydrophobicContact CG-CB 4.47Å; E278-N285 PolarHBondContact N-O 2.95Å; E278-N285 PolarHBondContact O-N 3.46Å; E278-N285 PolarHBondContact OE2-ND2 3.02Å; N285-T292 HydrophobicContact CB-CG2 4.42Å; N285-H294 VanDerWaalsContact CG-ND1 3.34Å; N285-H294 PolarHBondContact OD1-ND1 3.31Å
286	F	90.8	Very high	83.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.6	173.8	179.2	-141.8	0	0	0	108.8	L234 L241 F243 L261 L263 V275 I277 V288 T292 H293	L234-F286 HydrophobicContact CD1-CE2 3.87Å; L234-F286 HydrophobicContact CD1-CZ 3.79Å; L241-F286 HydrophobicContact CB-CZ 4.46Å; L241-F286 HydrophobicContact CD2-CE2 4.12Å; L241-F286 HydrophobicContact CD2-CZ 3.79Å; L241-F286 HydrophobicContact CG-CZ 4.08Å; F243-F286 HydrophobicContact CB-CD1 4.08Å; F243-F286 HydrophobicContact CB-CE1 3.83Å; F243-F286 HydrophobicContact CB-CZ 4.08Å; L261-F286 HydrophobicContact CD2-CB 3.97Å; L261-F286 HydrophobicContact CD2-CD1 3.57Å; L261-F286 HydrophobicContact CD2-CG 4.26Å; L261-F286 HydrophobicContact CG-CD1 3.98Å; L263-F286 HydrophobicContact CB-CD1 4.05Å; L263-F286 HydrophobicContact CB-CE1 3.63Å; L263-F286 HydrophobicContact CB-CZ 4.32Å; L263-F286 HydrophobicContact CD1-CB 4.18Å; L263-F286 HydrophobicContact CD1-CD1 3.25Å; L263-F286 HydrophobicContact CD1-CE1 3.73Å; L263-F286 HydrophobicContact CD1-CG 3.78Å; L263-F286 WeakPolarHBondContact CD1-O 3.33Å; L263-F286 HydrophobicContact CG-CD1 3.67Å; L263-F286 HydrophobicContact CG-CE1 3.76Å; V275-F286 HydrophobicContact CG1-CE2 3.91Å; I277-F286 HydrophobicContact CD1-CD2 4.42Å; I277-F286 HydrophobicContact CD1-CE2 4.39Å; I277-F286 HydrophobicContact CG1-CD2 3.65Å; I277-F286 HydrophobicContact CG1-CE2 4.04Å; F286-V288 HydrophobicContact CD2-CG2 4.48Å; F286-V288 HydrophobicContact CE1-CG2 4.17Å; F286-V288 HydrophobicContact CE2-CG2 3.78Å; F286-V288 HydrophobicContact CZ-CG2 3.6Å; F286-T292 CarbonylContact O-C 3.47Å; F286-T292 WeakPolarHBondContact O-CA 3.31Å; F286-H293 PolarHBondContact N-O 2.84Å; F286-H293 PolarHBondContact O-N 3.32Å
287	T	91.9	Very high	81.8	Confident	18 Å²	18	54.9 Å²	54.9	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.5	-179.3	-51.5	0	0	0	0	110.1	V275 L276 H291 T292	V275-T287 WeakPolarHBondContact CA-O 3.31Å; L276-T287 PolarHBondContact N-O 2.8Å; L276-T287 PolarHBondContact O-N 2.91Å; T287-H291 WeakPolarHBondContact CA-O 3.34Å; T287-T292 VanDerWaalsContact CG2-OG1 3.24Å; T287-T292 WeakPolarHBondContact CG2-OG1 3.42Å; T287-T292 WeakPolarHBondContact OG1-CB 3.16Å; T287-T292 VanDerWaalsContact OG1-CG2 3.25Å; T287-T292 WeakPolarHBondContact OG1-CG2 3.24Å; T287-T292 PolarHBondContact OG1-OG1 3.1Å
288	V	91.5	Very high	80.1	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.8	169.1	-176.8	0	0	0	0	108	L241 L263 L267 S274 F286 K290 H291	L241-V288 HydrophobicContact CB-CG2 4.49Å; L241-V288 HydrophobicContact CD2-CG2 3.71Å; L263-V288 HydrophobicContact CB-CB 4.23Å; L263-V288 HydrophobicContact CB-CG2 3.7Å; L263-V288 HydrophobicContact CD1-CG2 4.38Å; L267-V288 HydrophobicContact CD1-CG1 4.33Å; L267-V288 HydrophobicContact CD2-CG1 4.43Å; S274-V288 CarbonylContact O-C 3.59Å; S274-V288 WeakPolarHBondContact O-CA 3.17Å; F286-V288 HydrophobicContact CD2-CG2 4.48Å; F286-V288 HydrophobicContact CE1-CG2 4.17Å; F286-V288 HydrophobicContact CE2-CG2 3.78Å; F286-V288 HydrophobicContact CZ-CG2 3.6Å; V288-K290 PolarHBondContact O-N 2.93Å; V288-H291 PolarHBondContact N-O 2.8Å; V288-H291 PolarHBondContact O-N 2.8Å
289	D	88.4	Confident	78.4	Confident	58 Å²	58	63.8 Å²	63.8	31%	0.31	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	-97.5	-169.7	-63.6	-26	0	0	0	112.1	H273 S274	H273-D289 WeakPolarHBondContact CA-OD1 3.42Å; H273-D289 WeakPolarHBondContact CB-OD1 3.34Å; H273-D289 IonicContact CE1-OD2 2.66Å; H273-D289 IonicContact CG-OD1 3.28Å; H273-D289 IonicContact CG-OD2 3.42Å; H273-D289 IonicContact ND1-OD1 3.17Å; H273-D289 IonicContact ND1-OD2 3.71Å; H273-D289 PolarHBondContact ND1-OD2 3.1Å; S274-D289 PolarHBondContact N-OD1 2.78Å; S274-D289 PolarHBondContact O-N 2.96Å; S274-D289 WeakPolarHBondContact OG-CA 3.2Å; S274-D289 PolarHBondContact OG-O 3.1Å
290	K	78.4	Confident	76.4	Confident	117 Å²	117	70.9 Å²	70.9	51%	0.509	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-3	178	-53.9	-179.1	-150.8	175.2	0	113.2	P148 V288	P148-K290 VanDerWaalsContact CD-CE 3.49Å; P148-K290 HydrophobicContact CG-CD 3.76Å; P148-K290 VanDerWaalsContact CG-NZ 3.29Å; V288-K290 PolarHBondContact O-N 2.93Å
291	H	81.9	Confident	74.6	Confident	78 Å²	78	72.3 Å²	72.3	36%	0.361	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	106.6	-174.1	-62.4	88.2	0	0	0	108.9	E127 T287 V288	E127-H291 IonicContact OE1-CD2 2.6Å; E127-H291 IonicContact OE1-CE1 3.84Å; E127-H291 IonicContact OE1-NE2 3.76Å; E127-H291 PolarHBondContact OE1-NE2 3.13Å; T287-H291 WeakPolarHBondContact CA-O 3.34Å; V288-H291 PolarHBondContact N-O 2.8Å; V288-H291 PolarHBondContact O-N 2.8Å
292	T	84.5	Confident	73.5	Confident	63 Å²	63	70.2 Å²	70.2	39%	0.387	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.6	175.4	-54.2	0	0	0	0	110.1	N285 F286 T287 H294	N285-T292 HydrophobicContact CB-CG2 4.42Å; F286-T292 CarbonylContact O-C 3.47Å; F286-T292 WeakPolarHBondContact O-CA 3.31Å; T287-T292 VanDerWaalsContact CG2-OG1 3.24Å; T287-T292 WeakPolarHBondContact CG2-OG1 3.42Å; T287-T292 WeakPolarHBondContact OG1-CB 3.16Å; T287-T292 VanDerWaalsContact OG1-CG2 3.25Å; T287-T292 WeakPolarHBondContact OG1-CG2 3.24Å; T287-T292 PolarHBondContact OG1-OG1 3.1Å; T292-H294 WeakPolarHBondContact CG2-CE1 3.46Å; T292-H294 WeakPolarHBondContact CG2-NE2 3.32Å
293	H	82.4	Confident	72.8	Confident	79 Å²	79	72.2 Å²	72.2	37%	0.366	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.7	168.5	-169.2	-77.1	0	0	0	109.3	L261 L263 F286 F295	L261-H293 HydrophobicContact CD2-CB 4.06Å; L263-H293 HydrophobicContact CD1-CB 3.74Å; L263-H293 HydrophobicContact CD2-CB 4.05Å; L263-H293 HydrophobicContact CG-CB 4.31Å; F286-H293 PolarHBondContact N-O 2.84Å; F286-H293 PolarHBondContact O-N 3.32Å; H293-F295 AromaticContact ND1-CD1 3.83Å
294	H	84.2	Confident	71.8	Confident	128 Å²	128	69.7 Å²	69.7	59%	0.593	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.8	176.3	-57.9	-77.9	0	0	0	108.7	N285 T292	N285-H294 VanDerWaalsContact CG-ND1 3.34Å; N285-H294 PolarHBondContact OD1-ND1 3.31Å; T292-H294 WeakPolarHBondContact CG2-CE1 3.46Å; T292-H294 WeakPolarHBondContact CG2-NE2 3.32Å
295	F	76.6	Confident	70.8	Confident	33 Å²	33	72.8 Å²	72.8	15%	0.145	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.8	172.3	70.3	-86.9	0	0	0	111.7	F243 V259 L261 V284 H293	F243-F295 HydrophobicContact CD1-CZ 4.32Å; F243-F295 HydrophobicContact CE1-CZ 4.22Å; V259-F295 HydrophobicContact CG1-CD2 4.17Å; V259-F295 HydrophobicContact CG1-CE2 3.63Å; V259-F295 HydrophobicContact CG1-CZ 4.06Å; L261-F295 HydrophobicContact CD2-CD1 3.68Å; L261-F295 HydrophobicContact CD2-CE1 3.47Å; L261-F295 VanDerWaalsContact CD2-CE1 3.47Å; V284-F295 HydrophobicContact CB-CD1 4.01Å; V284-F295 HydrophobicContact CB-CD2 4.3Å; V284-F295 HydrophobicContact CB-CE1 3.51Å; V284-F295 HydrophobicContact CB-CE2 3.8Å; V284-F295 HydrophobicContact CB-CG 4.4Å; V284-F295 HydrophobicContact CB-CZ 3.4Å; V284-F295 VanDerWaalsContact CB-CZ 3.4Å; V284-F295 HydrophobicContact CG1-CD1 4.42Å; V284-F295 HydrophobicContact CG1-CE1 3.55Å; V284-F295 HydrophobicContact CG1-CE2 4.42Å; V284-F295 HydrophobicContact CG1-CZ 3.56Å; V284-F295 HydrophobicContact CG2-CD2 4.38Å; V284-F295 HydrophobicContact CG2-CE1 4.3Å; V284-F295 HydrophobicContact CG2-CE2 3.69Å; V284-F295 HydrophobicContact CG2-CZ 3.68Å; V284-F295 PolarHBondContact N-O 3.34Å; V284-F295 PolarHBondContact O-N 3.23Å; H293-F295 AromaticContact ND1-CD1 3.83Å
296	Q	71.3	Confident	69.7	Low	134 Å²	134	72.2 Å²	72.2	63%	0.626	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	119.9	173.2	-165	172.6	12.1	0	0	109	T282 K298	T282-Q296 CarbonylContact O-C 3.56Å; T282-Q296 WeakPolarHBondContact O-CA 3.3Å; T282-Q296 PolarHBondContact OG1-NE2 3.09Å; Q296-K298 PolarHBondContact O-N 3.19Å
297	A	64.9	Low	68.6	Low	14 Å²	14	74.5 Å²	74.5	12%	0.116	40%	0.397	C	S	.	.			trans	-65.3	121.8	173.6	0	0	0	0	0	109.4	L245 T282 G299	L245-A297 HydrophobicContact CD2-CB 4.06Å; T282-A297 PolarHBondContact O-N 3.22Å; A297-G299 PolarHBondContact O-N 2.81Å
298	K	56.3	Low	67.8	Low	179 Å²	179	79 Å²	79	78%	0.778	42%	0.415	S	S	*	.			trans	-77.1	111.3	177	-74.6	-175	178.4	179.8	0	110	Q296	Q296-K298 PolarHBondContact O-N 3.19Å
299	G	52.8	Low	67.5	Low	44 Å²	44	83.6 Å²	83.6	45%	0.454	44%	0.437	S	S	.	.			trans	-174	132.1	170.3	0	0	0	0	0	111.4	A297 S301	A297-G299 PolarHBondContact O-N 2.81Å; G299-S301 PolarHBondContact O-N 2.87Å
300	D	43.5	Very low	67.5	Low	169 Å²	169	80.9 Å²	80.9	90%	0.904	42%	0.422	S	S	*	.	S	Bend	trans	-69.5	115.1	170	-78	-29.8	0	0	0	108.5
301	S	40.7	Very low	68.1	Low	88 Å²	88	76.1 Å²	76.1	62%	0.615	40%	0.403	S	S	*	.	S	Bend	trans	75.3	91.5	179.7	74.4	0	0	0	0	117.7	G299 N303	G299-S301 PolarHBondContact O-N 2.87Å; S301-N303 VanDerWaalsContact C-N 3.28Å; S301-N303 PolarHBondContact O-N 3.01Å
302	S	46.3	Very low	68.7	Low	82 Å²	82	72.4 Å²	72.4	57%	0.573	39%	0.386	S	S	*	.				17.1	38.4	129.8	69.5	0	0	0	0	122.1
303	N	52.3	Low	68.9	Low	83 Å²	83	69.4 Å²	69.4	44%	0.444	37%	0.368	S	S	.	.			trans	-135.2	75.7	-179.7	-73.1	-42.9	0	0	0	112.6	K202 S301 D305	K202-N303 PolarHBondContact NZ-OD1 3Å; S301-N303 VanDerWaalsContact C-N 3.28Å; S301-N303 PolarHBondContact O-N 3.01Å; N303-D305 VanDerWaalsContact C-N 3.32Å; N303-D305 PolarHBondContact O-N 2.89Å; N303-D305 VanDerWaalsContact O-N 3.09Å
304	L	56.9	Low	69.1	Low	62 Å²	62	65.6 Å²	65.6	33%	0.325	35%	0.35	S	S	.	.			trans	-74.9	87.4	158.9	-92.1	132.7	0	0	0	108.9	I232 L245 L306	I232-L304 HydrophobicContact CG1-CD2 4.34Å; L245-L304 HydrophobicContact CD1-CD1 3.99Å; L245-L304 HydrophobicContact CD1-CD2 3.61Å; L245-L304 HydrophobicContact CD1-CG 4.45Å; L304-L306 VanDerWaalsContact C-N 3.33Å; L304-L306 HydrophobicContact CB-CD1 4.24Å; L304-L306 HydrophobicContact CB-CG 4.19Å; L304-L306 HydrophobicContact CD2-CD1 4.02Å; L304-L306 HydrophobicContact CD2-CD2 4.09Å; L304-L306 HydrophobicContact CD2-CG 4.11Å; L304-L306 PolarHBondContact O-N 2.87Å
305	D	61.5	Low	68.8	Low	69 Å²	69	60.6 Å²	60.6	37%	0.369	33%	0.327	S	S	.	.			trans	-73.4	85.6	172	-178.4	34.2	0	0	0	109.8	G226 H228 N230 N303	G226-D305 VanDerWaalsContact CA-O 3.27Å; G226-D305 WeakPolarHBondContact CA-O 3.12Å; H228-D305 IonicContact CE1-OD2 3.78Å; H228-D305 PolarHBondContact CE1-OD2 3.02Å; H228-D305 VanDerWaalsContact CE1-OD2 3.28Å; H228-D305 IonicContact CG-OD2 3.72Å; H228-D305 IonicContact ND1-OD2 2.87Å; H228-D305 PolarHBondContact ND1-OD2 2.96Å; N230-D305 PolarHBondContact ND2-N 3.34Å; N303-D305 VanDerWaalsContact C-N 3.32Å; N303-D305 PolarHBondContact O-N 2.89Å; N303-D305 VanDerWaalsContact O-N 3.09Å
306	L	66.9	Low	68.1	Low	15 Å²	15	63.9 Å²	63.9	8%	0.079	35%	0.346	C	S	.	.			trans	-104.1	144.6	-179.1	-63.7	171.6	0	0	0	110.7	R224 N230 I232 L304	R224-L306 HydrophobicContact CG-CB 4.17Å; R224-L306 HydrophobicContact CG-CD1 4.49Å; N230-L306 HydrophobicContact CB-CD2 4.02Å; I232-L306 HydrophobicContact CD1-CD1 3.39Å; I232-L306 HydrophobicContact CG1-CD1 3.79Å; I232-L306 HydrophobicContact CG1-CD2 4.36Å; L304-L306 VanDerWaalsContact C-N 3.33Å; L304-L306 HydrophobicContact CB-CD1 4.24Å; L304-L306 HydrophobicContact CB-CG 4.19Å; L304-L306 HydrophobicContact CD2-CD1 4.02Å; L304-L306 HydrophobicContact CD2-CD2 4.09Å; L304-L306 HydrophobicContact CD2-CG 4.11Å; L304-L306 PolarHBondContact O-N 2.87Å
307	N	67.4	Low	67.3	Low	48 Å²	48	60 Å²	60	26%	0.257	33%	0.333	S	S	.	.			trans	-63.8	164.3	180	-65.8	-26.7	0	0	0	111.9	R224 E225 Q227 E309	R224-N307 PolarHBondContact NE-O 3.35Å; R224-N307 PolarHBondContact NH2-O 3.42Å; E225-N307 WeakPolarHBondContact O-CB 3.49Å; E225-N307 PolarHBondContact O-N 3.39Å; E225-N307 PolarHBondContact O-ND2 3.26Å; Q227-N307 WeakPolarHBondContact CG-OD1 3.15Å; Q227-N307 PolarHBondContact N-OD1 3.3Å; N307-E309 PolarHBondContact O-N 3.1Å
308	F	75.7	Confident	66.4	Low	113 Å²	113	65.3 Å²	65.3	50%	0.496	37%	0.367	S	S	.	.	S	Bend	trans	-76.8	13.2	174.2	-60.3	-79.8	0	0	0	113.3	T195 L196	T195-F308 WeakPolarHBondContact CA-O 3.38Å; L196-F308 HydrophobicContact CB-CB 4.17Å; L196-F308 HydrophobicContact CB-CD1 4.33Å; L196-F308 WeakPolarHBondContact CB-O 3.34Å; L196-F308 PolarHBondContact N-O 3.46Å
309	E	85.3	Confident	65.7	Low	100 Å²	100	60.7 Å²	60.7	47%	0.467	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.1	-177.4	-67.8	179.2	174.7	0	0	109.7	L193 Y194 N307	L193-E309 HydrophobicContact CD1-CB 4.15Å; Y194-E309 WeakPolarHBondContact O-CA 3.21Å; N307-E309 PolarHBondContact O-N 3.1Å
310	I	88.5	Confident	65.2	Low	1 Å²	1	68.8 Å²	68.8	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.9	178.5	-173.5	169.8	0	0	0	108.6	Y194 I208 L222 R224 F312 Y338	Y194-I310 HydrophobicContact CD1-CG2 3.68Å; Y194-I310 HydrophobicContact CG-CG2 4.22Å; Y194-I310 PolarHBondContact N-O 3.22Å; Y194-I310 PolarHBondContact O-N 3.3Å; I208-I310 HydrophobicContact CD1-CD1 4.4Å; L222-I310 HydrophobicContact CD1-CD1 3.4Å; L222-I310 VanDerWaalsContact CD1-CD1 3.4Å; L222-I310 HydrophobicContact CD1-CG1 3.41Å; L222-I310 VanDerWaalsContact CD1-CG1 3.41Å; R224-I310 HydrophobicContact CB-CG1 4.22Å; I310-F312 HydrophobicContact CD1-CE1 4.34Å; I310-F312 HydrophobicContact CD1-CE2 4.4Å; I310-F312 HydrophobicContact CD1-CZ 3.76Å; I310-F312 HydrophobicContact CG1-CE1 4.45Å; I310-F312 HydrophobicContact CG1-CE2 4.13Å; I310-F312 HydrophobicContact CG1-CZ 3.9Å; I310-F312 HydrophobicContact CG2-CE2 3.88Å; I310-F312 HydrophobicContact CG2-CZ 4.24Å; I310-Y338 HydrophobicContact CD1-CD2 3.66Å; I310-Y338 HydrophobicContact CD1-CE2 3.67Å
311	S	91.1	Very high	64.5	Low	16 Å²	16	67.2 Å²	67.2	11%	0.112	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143	179.8	74.3	0	0	0	0	111.5	L192 L222 H223 G314	L192-S311 CarbonylContact O-C 3.57Å; L192-S311 VanDerWaalsContact O-CA 3.28Å; L192-S311 WeakPolarHBondContact O-CA 3.31Å; L222-S311 WeakPolarHBondContact CA-O 3.43Å; H223-S311 PolarHBondContact N-O 3.47Å; H223-S311 PolarHBondContact O-N 3.33Å; H223-S311 PolarHBondContact O-OG 3.37Å; S311-G314 WeakPolarHBondContact CB-O 3.35Å; S311-G314 PolarHBondContact OG-O 3.1Å
312	F	93.3	Very high	64.5	Low	0 Å²	0	73.1 Å²	73.1	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.7	175.3	-58.4	-82.4	0	0	0	110.2	F186 A191 L192 L221 L222 I310 G314 L333 L336 V343	F186-F312 WeakPolarHBondContact CE1-O 3.44Å; A191-F312 CarbonylContact C-O 3.52Å; A191-F312 WeakPolarHBondContact CA-O 3.46Å; L192-F312 HydrophobicContact CB-CB 4.35Å; L192-F312 PolarHBondContact N-O 3.37Å; L192-F312 PolarHBondContact O-N 2.97Å; L221-F312 VanDerWaalsContact O-CA 3.29Å; L221-F312 WeakPolarHBondContact O-CA 3.49Å; L222-F312 HydrophobicContact CB-CD1 4.08Å; L222-F312 HydrophobicContact CB-CE1 4.19Å; L222-F312 HydrophobicContact CD1-CD1 4.46Å; L222-F312 HydrophobicContact CD1-CE1 3.95Å; I310-F312 HydrophobicContact CD1-CE1 4.34Å; I310-F312 HydrophobicContact CD1-CE2 4.4Å; I310-F312 HydrophobicContact CD1-CZ 3.76Å; I310-F312 HydrophobicContact CG1-CE1 4.45Å; I310-F312 HydrophobicContact CG1-CE2 4.13Å; I310-F312 HydrophobicContact CG1-CZ 3.9Å; I310-F312 HydrophobicContact CG2-CE2 3.88Å; I310-F312 HydrophobicContact CG2-CZ 4.24Å; F312-G314 VanDerWaalsContact C-N 3.3Å; F312-G314 PolarHBondContact O-N 2.84Å; F312-L333 HydrophobicContact CB-CD1 4.31Å; F312-L336 HydrophobicContact CB-CD2 4.22Å; F312-L336 HydrophobicContact CD1-CD1 3.88Å; F312-L336 HydrophobicContact CD1-CD2 3.82Å; F312-L336 HydrophobicContact CD1-CG 4.47Å; F312-L336 HydrophobicContact CD2-CD2 3.74Å; F312-L336 HydrophobicContact CE1-CD1 3.58Å; F312-L336 HydrophobicContact CE1-CD2 4.05Å; F312-L336 HydrophobicContact CE1-CG 4.3Å; F312-L336 HydrophobicContact CE2-CD2 3.95Å; F312-L336 HydrophobicContact CG-CD2 3.65Å; F312-L336 HydrophobicContact CZ-CD1 3.99Å; F312-L336 HydrophobicContact CZ-CD2 4.1Å; F312-L336 HydrophobicContact CZ-CG 4.35Å; F312-V343 HydrophobicContact CD2-CG1 4.43Å; F312-V343 HydrophobicContact CE2-CG1 4.23Å
313	G	89.6	Confident	63.9	Low	0 Å²	0	73.9 Å²	73.9	0%	0	41%	0.41	C	S	.	.	S	Bend	trans	84.7	-12.2	179.8	0	0	0	0	0	115.6	I220 L221 S328 F329	I220-G313 CarbonylContact O-C 3.49Å; I220-G313 VanDerWaalsContact O-C 3.26Å; L221-G313 PolarHBondContact O-N 3.2Å; G313-S328 WeakPolarHBondContact O-CB 3.18Å; G313-F329 PolarHBondContact O-N 2.67Å
314	G	86.3	Confident	63.9	Low	0 Å²	0	74.5 Å²	74.5	0%	0	41%	0.409	C	S	.	.			trans	175.5	172.7	176.9	0	0	0	0	0	113.8	S311 F312	S311-G314 WeakPolarHBondContact CB-O 3.35Å; S311-G314 PolarHBondContact OG-O 3.1Å; F312-G314 VanDerWaalsContact C-N 3.3Å; F312-G314 PolarHBondContact O-N 2.84Å
315	I	78.6	Confident	63.8	Low	22 Å²	22	78.4 Å²	78.4	11%	0.113	44%	0.436	C	S	.	.			trans	-112.1	126	173.3	-60.4	172.1	0	0	0	107.9	I220 H223 F324	I220-I315 HydrophobicContact CD1-CD1 3.51Å; I220-I315 HydrophobicContact CD1-CG1 3.83Å; I220-I315 HydrophobicContact CG1-CD1 4.48Å; I220-I315 HydrophobicContact CG2-CD1 4.39Å; I220-I315 HydrophobicContact CG2-CG1 4.15Å; H223-I315 HydrophobicContact CB-CD1 3.83Å; H223-I315 HydrophobicContact CB-CG1 3.52Å; H223-I315 VanDerWaalsContact CG-CD1 3.43Å; I315-F324 HydrophobicContact CD1-CE1 4.49Å; I315-F324 HydrophobicContact CG2-CE1 4.25Å; I315-F324 HydrophobicContact CG2-CE2 4.31Å; I315-F324 HydrophobicContact CG2-CZ 4.1Å
316	L	61.8	Low	64.4	Low	102 Å²	102	79.7 Å²	79.7	53%	0.534	44%	0.435	S	S	.	.			trans	-132.5	121	173.3	-74.4	163.2	0	0	0	108.9	A191 P318 M357	A191-L316 HydrophobicContact CB-CD1 4.33Å; L316-P318 WeakPolarHBondContact O-CD 3.33Å; L316-M357 HydrophobicContact CB-SD 4.5Å; L316-M357 HydrophobicContact CD1-CB 4.43Å; L316-M357 HydrophobicContact CD1-SD 3.78Å
317	S	54.3	Low	65.2	Low	52 Å²	52	85.4 Å²	85.4	36%	0.364	46%	0.459	S	S	.	.			trans	-91.4	114.5	169.2	-56.9	0	0	0	0	109.2	G319	S317-G319 PolarHBondContact O-N 3.5Å
318	P	45.1	Very low	66.4	Low	126 Å²	126	84.6 Å²	84.6	82%	0.818	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	110.9	169.7	-14.4	28.5	0	0	0	108.8	L316	L316-P318 WeakPolarHBondContact O-CD 3.33Å
319	G	42	Very low	67.2	Low	83 Å²	83	79.2 Å²	79.2	86%	0.856	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	13.8	164.6	0	0	0	0	0	118.8	S317	S317-G319 PolarHBondContact O-N 3.5Å
320	R	41.3	Very low	67.6	Low	213 Å²	213	76.5 Å²	76.5	80%	0.804	42%	0.421	S	S	*	.			trans	-129.3	113.4	166.1	-84.1	-175.3	176.4	175.8	0	111.6	R322	R320-R322 PolarHBondContact O-N 2.96Å
321	S	30.3	Very low	67.9	Low	136 Å²	136	76.5 Å²	76.5	95%	0.951	42%	0.421	S	S	*	.			trans	-69	67.6	170.4	-43	0	0	0	0	111.1
322	R	39.7	Very low	68	Low	212 Å²	212	75.7 Å²	75.7	80%	0.8	42%	0.416	S	S	*	.			trans	-93.4	117.4	153.4	-101.3	-178.6	168.6	175.9	-4.4	106	R320 F324	R320-R322 PolarHBondContact O-N 2.96Å; R322-F324 VanDerWaalsContact C-N 3.29Å; R322-F324 PolarHBondContact O-N 2.74Å
323	A	34.9	Very low	68.1	Low	99 Å²	99	75.7 Å²	75.7	82%	0.818	42%	0.416	S	S	*	.			trans	-60.6	95.5	170	0	0	0	0	0	108	T325	A323-T325 PolarHBondContact O-N 2.87Å
324	F	51.1	Low	68.3	Low	96 Å²	96	75.7 Å²	75.7	42%	0.421	42%	0.416	S	S	.	.			trans	-67	116.1	166.3	-86.5	-89.1	0	0	0	106.6	I315 R322 R326	I315-F324 HydrophobicContact CD1-CE1 4.49Å; I315-F324 HydrophobicContact CG2-CE1 4.25Å; I315-F324 HydrophobicContact CG2-CE2 4.31Å; I315-F324 HydrophobicContact CG2-CZ 4.1Å; R322-F324 VanDerWaalsContact C-N 3.29Å; R322-F324 PolarHBondContact O-N 2.74Å; F324-R326 PolarHBondContact O-N 3.24Å
325	T	56.3	Low	68.6	Low	144 Å²	144	76.8 Å²	76.8	88%	0.883	42%	0.421	S	S	*	.			trans	-70.7	-8	176.1	30.2	0	0	0	0	113.1	A323	A323-T325 PolarHBondContact O-N 2.87Å
326	R	73.3	Confident	69.3	Low	95 Å²	95	75.8 Å²	75.8	36%	0.358	42%	0.416	S	S	.	.	S	Bend	trans	-88.4	136.6	-175.9	-58.9	-170	-175.6	-158.4	5.3	111.3	I220 E235 F324	I220-R326 HydrophobicContact CD1-CB 3.48Å; I220-R326 VanDerWaalsContact CD1-CB 3.48Å; I220-R326 HydrophobicContact CD1-CG 4.41Å; I220-R326 HydrophobicContact CG1-CB 4.31Å; E235-R326 WeakPolarHBondContact OE2-CD 3.43Å; E235-R326 IonicContact OE2-CZ 3.77Å; E235-R326 IonicContact OE2-NE 2.77Å; E235-R326 IonicContact OE2-NH1 3.83Å; E235-R326 PolarHBondContact OE2-NH1 3.15Å; F324-R326 PolarHBondContact O-N 3.24Å
327	K	84.1	Confident	70.8	Confident	135 Å²	135	74.8 Å²	74.8	59%	0.587	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-81.2	143.6	-179.3	-64.1	-178.5	178.5	-179.6	0	110.8	G219 I220	G219-K327 WeakPolarHBondContact CA-O 3.16Å; I220-K327 PolarHBondContact N-O 3.15Å; I220-K327 VanDerWaalsContact N-O 3.07Å
328	S	91	Very high	72.6	Confident	31 Å²	31	72.5 Å²	72.5	22%	0.217	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-70.9	158	169	-62.9	0	0	0	0	110.9	G188 G313	G188-S328 VanDerWaalsContact O-CB 3.3Å; G188-S328 WeakPolarHBondContact O-CB 3.16Å; G313-S328 WeakPolarHBondContact O-CB 3.18Å
329	F	93.4	Very high	74.6	Confident	1 Å²	1	69.7 Å²	69.7	0%	0.004	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-75.1	132.2	-177.5	179.3	-110.2	0	0	0	111.9	F186 G188 F212 A214 I220 L221 G313 L333	F186-F329 HydrophobicContact CB-CD1 4.33Å; F186-F329 VanDerWaalsContact CB-O 3.29Å; F186-F329 WeakPolarHBondContact CB-O 2.96Å; F186-F329 HydrophobicContact CD2-CD1 4.13Å; F186-F329 HydrophobicContact CG-CD1 4.48Å; G188-F329 WeakPolarHBondContact CA-O 3.39Å; G188-F329 PolarHBondContact N-O 3.24Å; F212-F329 HydrophobicContact CB-CZ 4.15Å; F212-F329 HydrophobicContact CD2-CE2 4.22Å; F212-F329 HydrophobicContact CD2-CZ 4.1Å; A214-F329 HydrophobicContact CB-CE2 3.98Å; A214-F329 HydrophobicContact CB-CZ 4.4Å; I220-F329 WeakPolarHBondContact O-CB 3.36Å; L221-F329 HydrophobicContact CD1-CD2 3.55Å; L221-F329 HydrophobicContact CD1-CE2 3.77Å; L221-F329 HydrophobicContact CD1-CG 4.27Å; L221-F329 HydrophobicContact CG-CD2 4.02Å; L221-F329 HydrophobicContact CG-CE2 4.09Å; L221-F329 HydrophobicContact CG-CG 4.37Å; L221-F329 HydrophobicContact CG-CZ 4.49Å; G313-F329 PolarHBondContact O-N 2.67Å; F329-L333 HydrophobicContact CD1-CD2 4.37Å; F329-L333 HydrophobicContact CE1-CD2 3.74Å; F329-L333 HydrophobicContact CE1-CG 4.2Å; F329-L333 HydrophobicContact CZ-CD2 4.26Å
330	H	93.8	Very high	76.7	Confident	43 Å²	43	69 Å²	69	20%	0.199	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	107.5	172.2	-178.3	-174.7	0	0	0	108.7	Y185 F186 M215 Q216	Y185-H330 PolarHBondContact OH-NE2 2.89Å; Y185-H330 VanDerWaalsContact OH-NE2 3.13Å; F186-H330 WeakPolarHBondContact O-CA 3.38Å; F186-H330 PolarHBondContact O-CD2 2.8Å; M215-H330 PolarHBondContact N-O 3.3Å; Q216-H330 HydrophobicContact CG-CB 4.12Å; Q216-H330 PolarHBondContact NE2-ND1 2.54Å; Q216-H330 VanDerWaalsContact NE2-ND1 3.13Å
331	G	94.1	Very high	79	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-166.2	-172.1	0	0	0	0	0	113	Y185 F186 K213	Y185-G331 WeakPolarHBondContact CD2-O 3.37Å; F186-G331 PolarHBondContact N-O 2.91Å; F186-G331 PolarHBondContact O-N 2.98Å; K213-G331 CarbonylContact O-C 3.56Å; K213-G331 WeakPolarHBondContact O-CA 3.35Å
332	C	94.7	Very high	81.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.7	-179.8	-50.9	0	0	0	0	110.4	V183 V184 F212 K213 W272 C364	V183-C332 HydrophobicContact CG1-CB 3.9Å; V184-C332 CarbonylContact O-C 3.52Å; V184-C332 VanDerWaalsContact O-CA 3.28Å; V184-C332 WeakPolarHBondContact O-CA 3.37Å; F212-C332 CarbonylContact C-O 3.58Å; F212-C332 VanDerWaalsContact CA-O 3.28Å; F212-C332 WeakPolarHBondContact CA-O 3.21Å; K213-C332 HydrophobicContact CB-CB 4.39Å; K213-C332 PolarHBondContact N-O 2.94Å; K213-C332 PolarHBondContact O-N 2.93Å; W272-C332 HydrophobicContact CH2-CB 3.45Å; W272-C332 VanDerWaalsContact CH2-CB 3.45Å; W272-C332 HydrophobicContact CZ2-CB 4.19Å; W272-C332 HydrophobicContact CZ3-CB 4.06Å; C332-C364 HydrophobicContact CB-CB 3.87Å; C332-C364 WeakPolarHBondContact CB-SG 3.47Å; C332-C364 WeakPolarHBondContact SG-CA 3.23Å; C332-C364 WeakPolarHBondContact SG-CB 3.23Å; C332-C364 CovalentContact SG-SG 2.03Å; C332-C364 PolarHBondContact SG-SG 2.9Å
333	L	95.5	Very high	84.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.8	165.9	-56.4	-177.7	0	0	0	109.2	V183 V184 F186 L210 K211 F212 F312 F329	V183-L333 CarbonylContact C-O 3.56Å; V183-L333 WeakPolarHBondContact CA-O 3.39Å; V183-L333 WeakPolarHBondContact CG1-O 3.37Å; V184-L333 HydrophobicContact CG1-CB 3.86Å; V184-L333 PolarHBondContact N-O 3.27Å; V184-L333 PolarHBondContact O-N 3.03Å; F186-L333 HydrophobicContact CD2-CD1 4.33Å; F186-L333 HydrophobicContact CD2-CG 4.09Å; F186-L333 HydrophobicContact CE2-CB 4.06Å; F186-L333 HydrophobicContact CE2-CD1 3.48Å; F186-L333 VanDerWaalsContact CE2-CD1 3.48Å; F186-L333 HydrophobicContact CE2-CG 3.55Å; F186-L333 HydrophobicContact CZ-CD1 4.02Å; L210-L333 HydrophobicContact CD1-CD2 4.31Å; K211-L333 CarbonylContact O-C 3.14Å; K211-L333 VanDerWaalsContact O-CA 3.3Å; K211-L333 WeakPolarHBondContact O-CA 3.36Å; F212-L333 HydrophobicContact CB-CD2 3.46Å; F212-L333 VanDerWaalsContact CB-CD2 3.46Å; F312-L333 HydrophobicContact CB-CD1 4.31Å; F329-L333 HydrophobicContact CD1-CD2 4.37Å; F329-L333 HydrophobicContact CE1-CD2 3.74Å; F329-L333 HydrophobicContact CE1-CG 4.2Å; F329-L333 HydrophobicContact CZ-CD2 4.26Å
334	E	93.3	Very high	87.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.9	179.5	165.7	175	-109.6	0	0	110	R88 Y179 S181 E182 V183 K211 W272 L336	R88-E334 IonicContact CZ-OE1 3.63Å; R88-E334 IonicContact CZ-OE2 3.5Å; R88-E334 IonicContact NH1-OE1 3.31Å; R88-E334 PolarHBondContact NH1-OE1 2.93Å; R88-E334 IonicContact NH1-OE2 2.67Å; R88-E334 PolarHBondContact NH1-OE2 3.23Å; R88-E334 IonicContact NH2-OE2 3.97Å; Y179-E334 PolarHBondContact OH-OE2 2.81Å; S181-E334 WeakPolarHBondContact CB-OE1 3.24Å; S181-E334 PolarHBondContact OG-OE1 2.94Å; E182-E334 CarbonylContact O-C 3.53Å; E182-E334 WeakPolarHBondContact O-CA 3.35Å; V183-E334 HydrophobicContact CG2-CB 4.16Å; V183-E334 HydrophobicContact CG2-CG 4.39Å; K211-E334 HydrophobicContact CB-CB 3.98Å; K211-E334 HydrophobicContact CB-CG 4.34Å; K211-E334 VanDerWaalsContact CD-OE2 3.24Å; K211-E334 WeakPolarHBondContact CD-OE2 3.47Å; K211-E334 PolarHBondContact N-O 3.18Å; K211-E334 PolarHBondContact O-N 2.83Å; W272-E334 HydrophobicContact CE3-CB 3.96Å; W272-E334 HydrophobicContact CH2-CB 3.6Å; W272-E334 HydrophobicContact CZ2-CB 4.33Å; W272-E334 HydrophobicContact CZ3-CB 3.4Å; E334-L336 PolarHBondContact O-N 2.94Å
335	N	92.1	Very high	89.1	Confident	23 Å²	23	39.7 Å²	39.7	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.7	55	171	-68.4	-6	0	0	0	111.4	Y179 K180 E182 Y337	Y179-N335 PolarHBondContact OH-ND2 3.29Å; K180-N335 PolarHBondContact O-ND2 2.97Å; E182-N335 PolarHBondContact N-OD1 2.95Å; E182-N335 PolarHBondContact O-N 3.25Å; N335-Y337 HydrophobicContact CB-CD2 4.43Å; N335-Y337 HydrophobicContact CB-CE2 3.87Å; N335-Y337 WeakPolarHBondContact O-CD2 3.3Å; N335-Y337 PolarHBondContact O-N 2.95Å
336	L	94.3	Very high	90.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	108.2	-177.7	176.5	61.4	0	0	0	110.5	L210 F312 E334 V343 T344	L210-L336 HydrophobicContact CB-CD1 3.7Å; L210-L336 HydrophobicContact CD2-CD1 3.67Å; L210-L336 HydrophobicContact CG-CD1 4.34Å; F312-L336 HydrophobicContact CB-CD2 4.22Å; F312-L336 HydrophobicContact CD1-CD1 3.88Å; F312-L336 HydrophobicContact CD1-CD2 3.82Å; F312-L336 HydrophobicContact CD1-CG 4.47Å; F312-L336 HydrophobicContact CD2-CD2 3.74Å; F312-L336 HydrophobicContact CE1-CD1 3.58Å; F312-L336 HydrophobicContact CE1-CD2 4.05Å; F312-L336 HydrophobicContact CE1-CG 4.3Å; F312-L336 HydrophobicContact CE2-CD2 3.95Å; F312-L336 HydrophobicContact CG-CD2 3.65Å; F312-L336 HydrophobicContact CZ-CD1 3.99Å; F312-L336 HydrophobicContact CZ-CD2 4.1Å; F312-L336 HydrophobicContact CZ-CG 4.35Å; E334-L336 PolarHBondContact O-N 2.94Å; L336-V343 HydrophobicContact CB-CB 4.47Å; L336-V343 HydrophobicContact CD2-CB 3.85Å; L336-V343 HydrophobicContact CD2-CG1 3.9Å; L336-V343 HydrophobicContact CG-CB 3.91Å; L336-V343 HydrophobicContact CG-CG1 4.5Å; L336-V343 HydrophobicContact CG-CG2 4.33Å; L336-V343 PolarHBondContact O-N 3.39Å; L336-T344 WeakPolarHBondContact CB-OG1 3.4Å; L336-T344 PolarHBondContact N-OG1 2.82Å
337	Y	93.1	Very high	91.6	Very high	81 Å²	81	29.6 Å²	29.6	32%	0.318	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.4	178	-67.3	-77.9	0	0	0	111.9	S209 N335 V341 D342	S209-Y337 PolarHBondContact N-O 3.35Å; S209-Y337 PolarHBondContact O-N 3.44Å; N335-Y337 HydrophobicContact CB-CD2 4.43Å; N335-Y337 HydrophobicContact CB-CE2 3.87Å; N335-Y337 WeakPolarHBondContact O-CD2 3.3Å; N335-Y337 PolarHBondContact O-N 2.95Å; Y337-V341 WeakPolarHBondContact CA-O 3.46Å; Y337-D342 HydrophobicContact CD1-CB 4.05Å; Y337-D342 HydrophobicContact CE1-CB 3.49Å; Y337-D342 VanDerWaalsContact CE1-CB 3.49Å; Y337-D342 WeakPolarHBondContact CE1-OD2 3.28Å; Y337-D342 VanDerWaalsContact CZ-OD2 3.29Å; Y337-D342 PolarHBondContact OH-OD2 3.49Å
338	Y	90.3	Very high	92	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.02	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.4	168.2	-178.5	-84.8	0	0	0	109.1	Y194 L196 D206 I208 R224 I310 G340 V341	Y194-Y338 HydrophobicContact CE1-CD1 4.15Å; L196-Y338 HydrophobicContact CD2-CD1 3.76Å; L196-Y338 HydrophobicContact CD2-CE1 3.26Å; D206-Y338 VanDerWaalsContact CG-OH 3.3Å; D206-Y338 PolarHBondContact OD1-OH 3.16Å; D206-Y338 PolarHBondContact OD2-OH 3.01Å; I208-Y338 HydrophobicContact CD1-CD2 4.29Å; I208-Y338 HydrophobicContact CD1-CE2 4.21Å; I208-Y338 HydrophobicContact CG1-CD2 3.82Å; I208-Y338 HydrophobicContact CG1-CE2 4.02Å; R224-Y338 PolarHBondContact NH1-OH 3.21Å; R224-Y338 VanDerWaalsContact NH1-OH 3.1Å; I310-Y338 HydrophobicContact CD1-CD2 3.66Å; I310-Y338 HydrophobicContact CD1-CE2 3.67Å; Y338-G340 PolarHBondContact O-N 3.01Å; Y338-G340 VanDerWaalsContact O-N 3.1Å; Y338-V341 PolarHBondContact N-O 2.87Å; Y338-V341 WeakPolarHBondContact O-CB 3.42Å; Y338-V341 PolarHBondContact O-N 2.71Å
339	N	87.8	Confident	92	Very high	66 Å²	66	30.6 Å²	30.6	35%	0.353	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	39.1	-178.1	-70.8	-14.6	0	0	0	113.6	D206 V207 V341	D206-N339 WeakPolarHBondContact CA-OD1 3.32Å; D206-N339 PolarHBondContact OD1-ND2 2.96Å; V207-N339 PolarHBondContact N-OD1 3.41Å; V207-N339 PolarHBondContact O-N 3.02Å; N339-V341 VanDerWaalsContact C-N 3.3Å; N339-V341 PolarHBondContact O-N 2.83Å
340	G	86.4	Confident	91.8	Very high	69 Å²	69	36.9 Å²	36.9	71%	0.711	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.3	-2.4	-178.9	0	0	0	0	0	115.5	Y338	Y338-G340 PolarHBondContact O-N 3.01Å; Y338-G340 VanDerWaalsContact O-N 3.1Å
341	V	90	Very high	91.7	Very high	53 Å²	53	39.5 Å²	39.5	32%	0.321	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.8	174.1	-178	0	0	0	0	110	Y337 Y338 N339 V343 L346	Y337-V341 WeakPolarHBondContact CA-O 3.46Å; Y338-V341 PolarHBondContact N-O 2.87Å; Y338-V341 WeakPolarHBondContact O-CB 3.42Å; Y338-V341 PolarHBondContact O-N 2.71Å; N339-V341 VanDerWaalsContact C-N 3.3Å; N339-V341 PolarHBondContact O-N 2.83Å; V341-V343 PolarHBondContact O-N 2.78Å; V341-L346 HydrophobicContact CG1-CD1 3.6Å; V341-L346 HydrophobicContact CG1-CG 4.37Å
342	D	91.4	Very high	91.4	Very high	18 Å²	18	45.8 Å²	45.8	10%	0.096	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	95.4	174.8	-162.7	-41.8	0	0	0	110.8	Y337 T344 E345 L346	Y337-D342 HydrophobicContact CD1-CB 4.05Å; Y337-D342 HydrophobicContact CE1-CB 3.49Å; Y337-D342 VanDerWaalsContact CE1-CB 3.49Å; Y337-D342 WeakPolarHBondContact CE1-OD2 3.28Å; Y337-D342 VanDerWaalsContact CZ-OD2 3.29Å; Y337-D342 PolarHBondContact OH-OD2 3.49Å; D342-T344 VanDerWaalsContact C-N 3.28Å; D342-T344 PolarHBondContact O-N 2.91Å; D342-T344 WeakPolarHBondContact OD1-CB 3.38Å; D342-T344 PolarHBondContact OD1-N 2.78Å; D342-E345 HydrophobicContact CB-CB 3.83Å; D342-E345 PolarHBondContact O-N 3.03Å; D342-E345 PolarHBondContact OD1-N 2.92Å; D342-L346 WeakPolarHBondContact O-CG 3.4Å; D342-L346 PolarHBondContact O-N 3.47Å; D342-L346 VanDerWaalsContact O-N 3.16Å
343	V	92.7	Very high	91.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-32.3	-177.6	-177	0	0	0	0	110.8	Y194 F312 L336 V341 L346 A347 I354	Y194-V343 HydrophobicContact CD1-CG2 4.29Å; Y194-V343 HydrophobicContact CG-CG1 4.45Å; Y194-V343 HydrophobicContact CG-CG2 4.45Å; F312-V343 HydrophobicContact CD2-CG1 4.43Å; F312-V343 HydrophobicContact CE2-CG1 4.23Å; L336-V343 HydrophobicContact CB-CB 4.47Å; L336-V343 HydrophobicContact CD2-CB 3.85Å; L336-V343 HydrophobicContact CD2-CG1 3.9Å; L336-V343 HydrophobicContact CG-CB 3.91Å; L336-V343 HydrophobicContact CG-CG1 4.5Å; L336-V343 HydrophobicContact CG-CG2 4.33Å; L336-V343 PolarHBondContact O-N 3.39Å; V341-V343 PolarHBondContact O-N 2.78Å; V343-L346 PolarHBondContact O-N 2.76Å; V343-A347 PolarHBondContact O-N 3.03Å; V343-I354 HydrophobicContact CG1-CD1 3.64Å
344	T	91.6	Very high	90.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-42.8	177.4	-55.2	0	0	0	0	111.2	E182 V184 L336 D342 A347 K348	E182-T344 HydrophobicContact CB-CG2 3.89Å; V184-T344 HydrophobicContact CB-CG2 4.46Å; L336-T344 WeakPolarHBondContact CB-OG1 3.4Å; L336-T344 PolarHBondContact N-OG1 2.82Å; D342-T344 VanDerWaalsContact C-N 3.28Å; D342-T344 PolarHBondContact O-N 2.91Å; D342-T344 WeakPolarHBondContact OD1-CB 3.38Å; D342-T344 PolarHBondContact OD1-N 2.78Å; T344-A347 PolarHBondContact O-N 2.76Å; T344-K348 WeakPolarHBondContact O-CG 3.4Å; T344-K348 PolarHBondContact O-N 3.32Å
345	E	91.3	Very high	90.7	Very high	70 Å²	70	53.8 Å²	53.8	33%	0.327	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-41.3	175.6	-168.9	-173.9	158.3	0	0	111.7	D342 A347 K348 K349	D342-E345 HydrophobicContact CB-CB 3.83Å; D342-E345 PolarHBondContact O-N 3.03Å; D342-E345 PolarHBondContact OD1-N 2.92Å; E345-A347 VanDerWaalsContact C-N 3.31Å; E345-A347 PolarHBondContact O-N 3.1Å; E345-K348 PolarHBondContact O-N 3.41Å; E345-K349 HydrophobicContact CG-CD 4.11Å; E345-K349 WeakPolarHBondContact O-CB 3.29Å; E345-K349 WeakPolarHBondContact O-CG 3.49Å; E345-K349 PolarHBondContact O-N 3.01Å; E345-K349 VanDerWaalsContact OE1-CE 3.29Å; E345-K349 WeakPolarHBondContact OE1-CE 3.4Å; E345-K349 IonicContact OE1-NZ 3.38Å; E345-K349 PolarHBondContact OE1-NZ 2.93Å
346	L	91.9	Very high	90.6	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-43.4	174.9	-67.6	-179.7	0	0	0	111.5	Y194 V341 D342 V343 K349 H350 K351 I354	Y194-L346 HydrophobicContact CD2-CD1 4.25Å; Y194-L346 HydrophobicContact CE2-CD1 3.71Å; V341-L346 HydrophobicContact CG1-CD1 3.6Å; V341-L346 HydrophobicContact CG1-CG 4.37Å; D342-L346 WeakPolarHBondContact O-CG 3.4Å; D342-L346 PolarHBondContact O-N 3.47Å; D342-L346 VanDerWaalsContact O-N 3.16Å; V343-L346 PolarHBondContact O-N 2.76Å; L346-K349 CarbonylContact O-C 3.49Å; L346-K349 PolarHBondContact O-N 2.82Å; L346-H350 PolarHBondContact O-N 3.48Å; L346-H350 VanDerWaalsContact O-N 3.09Å; L346-K351 HydrophobicContact CB-CB 4.34Å; L346-K351 HydrophobicContact CB-CG 4.47Å; L346-K351 HydrophobicContact CD2-CB 3.99Å; L346-K351 HydrophobicContact CD2-CG 3.71Å; L346-K351 PolarHBondContact O-N 2.87Å; L346-K351 VanDerWaalsContact O-N 3.1Å; L346-I354 HydrophobicContact CB-CB 4.48Å; L346-I354 HydrophobicContact CB-CG2 4.21Å; L346-I354 WeakPolarHBondContact O-CG2 3.23Å
347	A	91.9	Very high	90.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-49.9	177.4	0	0	0	0	0	111.5	L192 V343 T344 E345 K349 H350 I354 M356 F362	L192-A347 HydrophobicContact CD1-CB 4.15Å; L192-A347 HydrophobicContact CD2-CB 4.23Å; V343-A347 PolarHBondContact O-N 3.03Å; T344-A347 PolarHBondContact O-N 2.76Å; E345-A347 VanDerWaalsContact C-N 3.31Å; E345-A347 PolarHBondContact O-N 3.1Å; A347-K349 VanDerWaalsContact C-N 3.26Å; A347-K349 PolarHBondContact O-N 3.22Å; A347-H350 PolarHBondContact O-N 2.95Å; A347-I354 HydrophobicContact CB-CG1 4.19Å; A347-M356 HydrophobicContact CB-SD 4.33Å; A347-F362 HydrophobicContact CB-CE1 3.97Å; A347-F362 HydrophobicContact CB-CZ 4.09Å
348	K	90.6	Very high	89.8	Confident	64 Å²	64	57.1 Å²	57.1	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-56.5	-40.8	177.1	-74.7	-175.7	-177.4	-161.2	0	112.3	E182 T344 E345 H350 F362	E182-K348 VanDerWaalsContact OE2-CD 3.27Å; E182-K348 WeakPolarHBondContact OE2-CD 3.27Å; E182-K348 WeakPolarHBondContact OE2-CE 3.36Å; E182-K348 IonicContact OE2-NZ 3.79Å; E182-K348 PolarHBondContact OE2-NZ 2.82Å; T344-K348 WeakPolarHBondContact O-CG 3.4Å; T344-K348 PolarHBondContact O-N 3.32Å; E345-K348 PolarHBondContact O-N 3.41Å; K348-H350 VanDerWaalsContact C-N 3.31Å; K348-H350 PolarHBondContact O-N 2.96Å; K348-H350 PolarHBondContact O-ND1 2.9Å; K348-F362 HydrophobicContact CB-CE1 4.27Å; K348-F362 HydrophobicContact CB-CZ 4.35Å; K348-F362 HydrophobicContact CD-CD1 4.04Å; K348-F362 HydrophobicContact CD-CG 4.32Å; K348-F362 HydrophobicContact CG-CB 4.43Å; K348-F362 HydrophobicContact CG-CD1 3.29Å; K348-F362 HydrophobicContact CG-CD2 4.13Å; K348-F362 HydrophobicContact CG-CE1 3.37Å; K348-F362 HydrophobicContact CG-CE2 4.21Å; K348-F362 HydrophobicContact CG-CG 3.68Å; K348-F362 HydrophobicContact CG-CZ 3.85Å
349	K	92.1	Very high	89.4	Confident	123 Å²	123	62.8 Å²	62.8	54%	0.535	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	3.7	180	-67.6	-177.8	177.3	177.3	0	114.3	E345 L346 A347 K351	E345-K349 HydrophobicContact CG-CD 4.11Å; E345-K349 WeakPolarHBondContact O-CB 3.29Å; E345-K349 WeakPolarHBondContact O-CG 3.49Å; E345-K349 PolarHBondContact O-N 3.01Å; E345-K349 VanDerWaalsContact OE1-CE 3.29Å; E345-K349 WeakPolarHBondContact OE1-CE 3.4Å; E345-K349 IonicContact OE1-NZ 3.38Å; E345-K349 PolarHBondContact OE1-NZ 2.93Å; L346-K349 CarbonylContact O-C 3.49Å; L346-K349 PolarHBondContact O-N 2.82Å; A347-K349 VanDerWaalsContact C-N 3.26Å; A347-K349 PolarHBondContact O-N 3.22Å; K349-K351 VanDerWaalsContact C-N 3.31Å; K349-K351 HydrophobicContact CB-CD 4.5Å; K349-K351 HydrophobicContact CB-CG 4.16Å; K349-K351 PolarHBondContact O-N 3.46Å
350	H	89.3	Confident	89.1	Confident	133 Å²	133	60.5 Å²	60.5	62%	0.616	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	45.9	178.1	-60.7	65	0	0	0	113	L346 A347 K348 M356	L346-H350 PolarHBondContact O-N 3.48Å; L346-H350 VanDerWaalsContact O-N 3.09Å; A347-H350 PolarHBondContact O-N 2.95Å; K348-H350 VanDerWaalsContact C-N 3.31Å; K348-H350 PolarHBondContact O-N 2.96Å; K348-H350 PolarHBondContact O-ND1 2.9Å; H350-M356 WeakPolarHBondContact CD2-CE 3.48Å; H350-M356 VanDerWaalsContact NE2-CE 3.34Å; H350-M356 WeakPolarHBondContact NE2-CE 3.2Å
351	K	92.4	Very high	89.3	Confident	99 Å²	99	58.9 Å²	58.9	43%	0.43	32%	0.317	S	S	.	.			trans	-71.6	152.3	-179.7	-66.2	-62.7	-170	179.7	0	111.4	L346 K349 Q353 I354	L346-K351 HydrophobicContact CB-CB 4.34Å; L346-K351 HydrophobicContact CB-CG 4.47Å; L346-K351 HydrophobicContact CD2-CB 3.99Å; L346-K351 HydrophobicContact CD2-CG 3.71Å; L346-K351 PolarHBondContact O-N 2.87Å; L346-K351 VanDerWaalsContact O-N 3.1Å; K349-K351 VanDerWaalsContact C-N 3.31Å; K349-K351 HydrophobicContact CB-CD 4.5Å; K349-K351 HydrophobicContact CB-CG 4.16Å; K349-K351 PolarHBondContact O-N 3.46Å; K351-Q353 PolarHBondContact O-N 2.85Å; K351-I354 HydrophobicContact CB-CG2 4.5Å; K351-I354 VanDerWaalsContact O-CG2 3.26Å; K351-I354 WeakPolarHBondContact O-CG2 3.33Å; K351-I354 PolarHBondContact O-N 3.5Å
352	P	87.4	Confident	89.4	Confident	132 Å²	132	59.5 Å²	59.5	86%	0.857	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-18	-176	27.4	-36	0	0	0	114.4	I354	P352-I354 VanDerWaalsContact C-N 3.26Å; P352-I354 PolarHBondContact O-N 2.82Å
353	Q	87.9	Confident	89.3	Confident	58 Å²	58	62.5 Å²	62.5	27%	0.271	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10	178.2	-68.8	167.5	-25.3	0	0	113.2	Y194 T195 D197 K351	Y194-Q353 HydrophobicContact CD2-CB 4.41Å; Y194-Q353 WeakPolarHBondContact CD2-O 3.2Å; Y194-Q353 HydrophobicContact CE2-CB 4.07Å; T195-Q353 PolarHBondContact N-O 2.86Å; D197-Q353 PolarHBondContact OD1-NE2 2.83Å; D197-Q353 PolarHBondContact OD2-NE2 3.42Å; K351-Q353 PolarHBondContact O-N 2.85Å
354	I	91	Very high	89.1	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.082	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130	-178.2	-166.8	77.2	0	0	0	109.7	L192 L193 Y194 V343 L346 A347 K351 P352	L192-I354 HydrophobicContact CB-CD1 4.28Å; L193-I354 WeakPolarHBondContact O-CA 3.07Å; Y194-I354 HydrophobicContact CD2-CD1 4.32Å; Y194-I354 HydrophobicContact CG-CD1 4.46Å; V343-I354 HydrophobicContact CG1-CD1 3.64Å; L346-I354 HydrophobicContact CB-CB 4.48Å; L346-I354 HydrophobicContact CB-CG2 4.21Å; L346-I354 WeakPolarHBondContact O-CG2 3.23Å; A347-I354 HydrophobicContact CB-CG1 4.19Å; K351-I354 HydrophobicContact CB-CG2 4.5Å; K351-I354 VanDerWaalsContact O-CG2 3.26Å; K351-I354 WeakPolarHBondContact O-CG2 3.33Å; K351-I354 PolarHBondContact O-N 3.5Å; P352-I354 VanDerWaalsContact C-N 3.26Å; P352-I354 PolarHBondContact O-N 2.82Å
355	L	90.3	Very high	88.9	Confident	94 Å²	94	66.9 Å²	66.9	49%	0.492	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.6	172.9	178.3	62	0	0	0	108.8	L193 M357	L193-L355 HydrophobicContact CB-CB 4.29Å; L193-L355 HydrophobicContact CD2-CD2 4.43Å; L193-L355 PolarHBondContact N-O 3.18Å; L193-L355 PolarHBondContact O-N 3.31Å; L355-M357 HydrophobicContact CD2-CE 3.42Å; L355-M357 VanDerWaalsContact CD2-CE 3.42Å; L355-M357 HydrophobicContact CG-CE 4.04Å; L355-M357 HydrophobicContact CG-CG 4.28Å
356	M	89.1	Confident	88.3	Confident	56 Å²	56	69 Å²	69	28%	0.276	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.7	173.6	-58.8	-169.8	-74.6	0	0	109.3	L192 A347 H350 V360 F362	L192-M356 HydrophobicContact CD2-CB 4.17Å; L192-M356 HydrophobicContact CD2-CG 3.59Å; L192-M356 HydrophobicContact CD2-SD 4.44Å; A347-M356 HydrophobicContact CB-SD 4.33Å; H350-M356 WeakPolarHBondContact CD2-CE 3.48Å; H350-M356 VanDerWaalsContact NE2-CE 3.34Å; H350-M356 WeakPolarHBondContact NE2-CE 3.2Å; M356-V360 HydrophobicContact CB-CG2 4.33Å; M356-V360 HydrophobicContact SD-CB 4.49Å; M356-F362 HydrophobicContact SD-CE2 4.44Å; M356-F362 HydrophobicContact SD-CZ 3.85Å
357	M	85.9	Confident	87.2	Confident	52 Å²	52	69.3 Å²	69.3	26%	0.256	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.2	178.1	-60.4	-175	-177.9	0	0	109.8	S190 A191 L193 L316 L355	S190-M357 CarbonylContact C-O 3.51Å; S190-M357 WeakPolarHBondContact CA-O 3.47Å; S190-M357 WeakPolarHBondContact CB-O 3.08Å; A191-M357 PolarHBondContact N-O 2.73Å; A191-M357 PolarHBondContact O-N 3.28Å; L193-M357 HydrophobicContact CB-CE 4.25Å; L193-M357 HydrophobicContact CD2-CE 3.91Å; L316-M357 HydrophobicContact CB-SD 4.5Å; L316-M357 HydrophobicContact CD1-CB 4.43Å; L316-M357 HydrophobicContact CD1-SD 3.78Å; L355-M357 HydrophobicContact CD2-CE 3.42Å; L355-M357 VanDerWaalsContact CD2-CE 3.42Å; L355-M357 HydrophobicContact CG-CE 4.04Å; L355-M357 HydrophobicContact CG-CG 4.28Å
358	G	83.8	Confident	86.3	Confident	65 Å²	65	77.7 Å²	77.7	67%	0.67	42%	0.419	S	S	*	.	S	Bend	trans	75.5	-163.3	-174.5	0	0	0	0	0	113.1	V360	G358-V360 PolarHBondContact O-N 3.44Å
359	N	81.9	Confident	85.9	Confident	125 Å²	125	76 Å²	76	67%	0.668	42%	0.415	S	S	*	.			trans	-94	82.4	-177.4	-170.7	17.7	0	0	0	111.3
360	V	83.3	Confident	85.8	Confident	18 Å²	18	70.6 Å²	70.6	11%	0.109	39%	0.392	C	S	.	.			trans	-79.5	125.2	176.6	-179.9	0	0	0	0	109.6	V184 L192 M356 G358	V184-V360 HydrophobicContact CG2-CG1 3.2Å; L192-V360 HydrophobicContact CD2-CG1 4.26Å; L192-V360 HydrophobicContact CD2-CG2 4.15Å; M356-V360 HydrophobicContact CB-CG2 4.33Å; M356-V360 HydrophobicContact SD-CB 4.49Å; G358-V360 PolarHBondContact O-N 3.44Å
361	S	90.4	Very high	86	Confident	35 Å²	35	64.5 Å²	64.5	25%	0.245	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-110.4	155.4	173.7	90.4	0	0	0	0	111.6	V184 Y185 S363	V184-S361 CarbonylContact C-O 3.58Å; V184-S361 WeakPolarHBondContact CA-O 3.35Å; Y185-S361 WeakPolarHBondContact CB-OG 3.04Å; Y185-S361 PolarHBondContact N-O 3.03Å; S361-S363 PolarHBondContact OG-O 3.47Å
362	F	91.5	Very high	86.1	Confident	66 Å²	66	59.8 Å²	59.8	29%	0.289	34%	0.344	S	S	.	.	S	Bend	trans	-105.9	21.7	-178.2	-64.2	-66.8	0	0	0	113.2	V183 V184 A347 K348 M356	V183-F362 CarbonylContact O-C 3.56Å; V183-F362 WeakPolarHBondContact O-CA 3.4Å; V184-F362 HydrophobicContact CB-CD1 4.39Å; V184-F362 HydrophobicContact CG2-CE1 4.43Å; A347-F362 HydrophobicContact CB-CE1 3.97Å; A347-F362 HydrophobicContact CB-CZ 4.09Å; K348-F362 HydrophobicContact CB-CE1 4.27Å; K348-F362 HydrophobicContact CB-CZ 4.35Å; K348-F362 HydrophobicContact CD-CD1 4.04Å; K348-F362 HydrophobicContact CD-CG 4.32Å; K348-F362 HydrophobicContact CG-CB 4.43Å; K348-F362 HydrophobicContact CG-CD1 3.29Å; K348-F362 HydrophobicContact CG-CD2 4.13Å; K348-F362 HydrophobicContact CG-CE1 3.37Å; K348-F362 HydrophobicContact CG-CE2 4.21Å; K348-F362 HydrophobicContact CG-CG 3.68Å; K348-F362 HydrophobicContact CG-CZ 3.85Å; M356-F362 HydrophobicContact SD-CE2 4.44Å; M356-F362 HydrophobicContact SD-CZ 3.85Å
363	S	89.5	Confident	86.5	Confident	81 Å²	81	53.5 Å²	53.5	57%	0.566	30%	0.303	S	S	*	.	S	Bend	trans	-131.7	136.2	175.4	57.7	0	0	0	0	109.4	Y185 S361	Y185-S363 WeakPolarHBondContact CB-O 3.4Å; S361-S363 PolarHBondContact OG-O 3.47Å
364	C	89.2	Confident	86.8	Confident	34 Å²	34	50.8 Å²	50.8	23%	0.23	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-89	123.2	178.4	-168.6	0	0	0	0	110.3	V183 W272 C332 Q366	V183-C364 HydrophobicContact CG1-CB 3.87Å; W272-C364 HydrophobicContact CZ2-CB 4.41Å; C332-C364 HydrophobicContact CB-CB 3.87Å; C332-C364 WeakPolarHBondContact CB-SG 3.47Å; C332-C364 WeakPolarHBondContact SG-CA 3.23Å; C332-C364 WeakPolarHBondContact SG-CB 3.23Å; C332-C364 CovalentContact SG-SG 2.03Å; C332-C364 PolarHBondContact SG-SG 2.9Å; C364-Q366 PolarHBondContact O-N 3.15Å
365	P	86.9	Confident	86.7	Confident	57 Å²	57	53.5 Å²	53.5	37%	0.37	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-60	137.3	174.6	-22.1	33.2	0	0	0	111.5	Y185	Y185-P365 HydrophobicContact CD1-CG 4.48Å; Y185-P365 HydrophobicContact CD2-CG 3.88Å; Y185-P365 HydrophobicContact CE1-CG 4.35Å; Y185-P365 HydrophobicContact CE2-CG 3.71Å; Y185-P365 HydrophobicContact CG-CG 4.25Å
366	Q	77.5	Confident	86.6	Confident	116 Å²	116	50.3 Å²	50.3	54%	0.542	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-85.9	122.1	172.9	-69.7	-171.2	-11.7	0	0	110	D115 C364	D115-Q366 PolarHBondContact O-NE2 2.91Å; C364-Q366 PolarHBondContact O-N 3.15Å
367	P	69.4	Low	86.5	Confident	31 Å²	31	50.5 Å²	50.5	20%	0.201	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-70.1	135.5	179.1	22.7	-25.7	0	0	0	111.2	Q270	Q270-P367 HydrophobicContact CB-CG 4.12Å
368	Q	73.3	Confident	86.5	Confident	176 Å²	176	55.7 Å²	55.7	82%	0.822	31%	0.313	S	S	*	.			trans	-91.4	2.3	178	-64.8	-164.8	-4.2	0	0	113.5	V370	Q368-V370 PolarHBondContact O-N 2.71Å
369	T	81.3	Confident	86.9	Confident	29 Å²	29	52.6 Å²	52.6	18%	0.178	28%	0.282	C	S	.	.			trans	-75.2	127.3	-177.7	52.4	0	0	0	0	111.4	Q270 P371 L516	Q270-T369 PolarHBondContact OE1-OG1 2.83Å; T369-P371 VanDerWaalsContact O-CD 3.31Å; T369-P371 WeakPolarHBondContact O-CD 3.36Å; T369-L516 HydrophobicContact CG2-CD2 3.88Å; T369-L516 HydrophobicContact CG2-CG 4.3Å
370	V	90.3	Very high	87.4	Confident	10 Å²	10	48.3 Å²	48.3	6%	0.061	26%	0.256	C	S	.	.			trans	-106	100.4	176.4	-179.8	0	0	0	0	108.4	R118 Q368 P526 I527 I542 D543	R118-V370 VanDerWaalsContact NH1-CG2 3.28Å; Q368-V370 PolarHBondContact O-N 2.71Å; V370-P526 HydrophobicContact CB-CG 4.22Å; V370-P526 HydrophobicContact CG1-CB 3.88Å; V370-P526 HydrophobicContact CG1-CG 4.07Å; V370-I527 HydrophobicContact CG1-CD1 3.72Å; V370-I527 HydrophobicContact CG1-CG1 4.07Å; V370-I527 HydrophobicContact CG2-CD1 4.25Å; V370-I527 HydrophobicContact CG2-CG1 3.98Å; V370-I542 HydrophobicContact CG1-CG2 4.22Å; V370-D543 HydrophobicContact CG1-CB 3.86Å
371	P	93.6	Very high	87.9	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.026	25%	0.252	C	S	.	.			trans	-77.6	155	176.8	29.7	-31.8	0	0	0	111.8	N119 T369 W453 L514 R515 D543 S544 C545	N119-P371 WeakPolarHBondContact OD1-CG 3.35Å; T369-P371 VanDerWaalsContact O-CD 3.31Å; T369-P371 WeakPolarHBondContact O-CD 3.36Å; P371-W453 HydrophobicContact CB-CH2 4.45Å; P371-L514 CarbonylContact C-O 3.53Å; P371-L514 WeakPolarHBondContact CA-O 3.39Å; P371-R515 HydrophobicContact CB-CB 4.4Å; P371-D543 VanDerWaalsContact O-CA 3.28Å; P371-D543 WeakPolarHBondContact O-CA 3.49Å; P371-D543 PolarHBondContact O-N 2.94Å; P371-S544 PolarHBondContact O-N 2.94Å; P371-S544 VanDerWaalsContact O-N 3.15Å; P371-C545 HydrophobicContact CB-CB 4.02Å; P371-C545 HydrophobicContact CG-CB 4.24Å
372	V	95.1	Very high	88.1	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.3	177.5	-177.6	0	0	0	0	109.1	F374 C513 L514 P526 L540 I542	V372-F374 HydrophobicContact CG1-CE2 4.15Å; V372-C513 CarbonylContact O-C 3.59Å; V372-C513 VanDerWaalsContact O-CA 3.25Å; V372-C513 WeakPolarHBondContact O-CA 3.28Å; V372-L514 PolarHBondContact N-O 2.95Å; V372-L514 PolarHBondContact O-N 2.9Å; V372-P526 HydrophobicContact CG2-CB 3.6Å; V372-P526 HydrophobicContact CG2-CG 3.82Å; V372-L540 HydrophobicContact CG1-CB 4.16Å; V372-L540 HydrophobicContact CG1-CD1 3.79Å; V372-L540 HydrophobicContact CG1-CD2 4.41Å; V372-L540 HydrophobicContact CG1-CG 4.35Å; V372-I542 HydrophobicContact CG1-CG1 4.26Å; V372-I542 HydrophobicContact CG2-CG1 4.48Å
373	T	95.1	Very high	88.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.5	176.9	-54.1	0	0	0	0	111.5	L375 G512 L540 Q541 S544 C545 G546 W566	T373-L375 HydrophobicContact CG2-CD2 3.91Å; T373-G512 WeakPolarHBondContact CA-O 3.15Å; T373-L540 WeakPolarHBondContact O-CA 3.42Å; T373-Q541 PolarHBondContact N-O 3.05Å; T373-Q541 PolarHBondContact O-N 2.98Å; T373-S544 PolarHBondContact OG1-O 2.87Å; T373-C545 VanDerWaalsContact OG1-CA 3.23Å; T373-C545 WeakPolarHBondContact OG1-CA 3.26Å; T373-G546 PolarHBondContact OG1-N 2.85Å; T373-W566 HydrophobicContact CG2-CH2 3.52Å; T373-W566 HydrophobicContact CG2-CZ2 3.87Å
374	F	94.6	Very high	88.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104	171.7	-67.6	-103.1	0	0	0	108.9	V372 L381 F491 F510 Q511 G512 L514 L540	V372-F374 HydrophobicContact CG1-CE2 4.15Å; F374-L381 HydrophobicContact CE1-CB 4.15Å; F374-L381 HydrophobicContact CZ-CB 3.94Å; F374-F491 HydrophobicContact CE1-CB 4.47Å; F374-F491 WeakPolarHBondContact CE1-O 3.23Å; F374-F491 HydrophobicContact CZ-CB 4.08Å; F374-F510 HydrophobicContact CB-CD1 4.16Å; F374-F510 VanDerWaalsContact CB-O 3.3Å; F374-F510 WeakPolarHBondContact CB-O 3.3Å; F374-F510 AromaticContact CD2-CD1 4Å; F374-F510 HydrophobicContact CD2-CD1 4Å; F374-F510 AromaticContact CD2-CE1 3.98Å; F374-F510 HydrophobicContact CD2-CE1 3.98Å; F374-F510 AromaticContact CG-CD1 3.98Å; F374-F510 HydrophobicContact CG-CD1 3.98Å; F374-F510 HydrophobicContact CG-CE1 4.38Å; F374-Q511 WeakPolarHBondContact O-CA 3.45Å; F374-G512 PolarHBondContact N-O 2.95Å; F374-G512 PolarHBondContact O-N 3.1Å; F374-L514 HydrophobicContact CD2-CD1 4.45Å; F374-L514 HydrophobicContact CD2-CG 4.26Å; F374-L514 HydrophobicContact CE2-CB 4.07Å; F374-L514 HydrophobicContact CE2-CD1 3.44Å; F374-L514 VanDerWaalsContact CE2-CD1 3.44Å; F374-L514 HydrophobicContact CE2-CG 3.57Å; F374-L514 HydrophobicContact CZ-CD1 3.68Å; F374-L514 HydrophobicContact CZ-CG 4.32Å; F374-L540 HydrophobicContact CB-CD2 4.32Å; F374-L540 HydrophobicContact CD1-CD2 3.37Å; F374-L540 HydrophobicContact CD2-CD2 4.25Å; F374-L540 HydrophobicContact CE1-CD2 3.55Å; F374-L540 HydrophobicContact CE2-CD2 4.38Å; F374-L540 HydrophobicContact CG-CD2 3.74Å; F374-L540 HydrophobicContact CZ-CD2 4.06Å
375	L	88.9	Confident	87.9	Confident	73 Å²	73	41.5 Å²	41.5	38%	0.382	22%	0.219	S	C	.	.			trans	-77.1	-26.9	-168.7	-62	171.1	0	0	0	113.5	T373 S379 Q511 D539 Q541 W566	T373-L375 HydrophobicContact CG2-CD2 3.91Å; L375-S379 PolarHBondContact N-OG 3.46Å; L375-Q511 PolarHBondContact O-NE2 2.79Å; L375-D539 PolarHBondContact N-O 3.04Å; L375-Q541 HydrophobicContact CD1-CB 4.38Å; L375-Q541 HydrophobicContact CD2-CB 4.33Å; L375-Q541 HydrophobicContact CG-CB 4.5Å; L375-W566 PolarHBondContact O-NE1 2.77Å
376	S	88.8	Confident	87.5	Confident	27 Å²	27	40 Å²	40	19%	0.189	21%	0.208	C	C	.	.	S	Bend	trans	-141.9	162.2	-174.8	77.6	0	0	0	0	111.8	R378 S379 Q511	S376-R378 PolarHBondContact O-N 2.99Å; S376-R378 PolarHBondContact OG-N 2.98Å; S376-S379 PolarHBondContact N-OG 2.75Å; S376-S379 WeakPolarHBondContact O-CB 3.5Å; S376-S379 PolarHBondContact O-N 2.8Å; S376-S379 PolarHBondContact O-OG 3.15Å; S376-S379 VanDerWaalsContact O-OG 3.11Å; S376-S379 PolarHBondContact OG-N 2.84Å; S376-S379 PolarHBondContact OG-OG 3.41Å; S376-S379 VanDerWaalsContact OG-OG 3.11Å; S376-Q511 VanDerWaalsContact C-CG 3.44Å
377	S	86.4	Confident	87	Confident	60 Å²	60	38.4 Å²	38.4	42%	0.42	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-4.7	172.7	59.3	0	0	0	0	114.6	G509	S377-G509 WeakPolarHBondContact O-CA 2.74Å; S377-G509 PolarHBondContact O-N 3.23Å; S377-G509 VanDerWaalsContact O-N 3.1Å
378	R	86.7	Confident	86.8	Confident	161 Å²	161	39.9 Å²	39.9	61%	0.608	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-3.5	173.3	-59	-175.1	-62	-164.9	-2.7	112.9	S376	S376-R378 PolarHBondContact O-N 2.99Å; S376-R378 PolarHBondContact OG-N 2.98Å
379	S	91.6	Very high	86.7	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.			trans	-68.2	137.4	-179.4	-63.8	0	0	0	0	109.9	L375 S376 G492 G493 R538 D539	L375-S379 PolarHBondContact N-OG 3.46Å; S376-S379 PolarHBondContact N-OG 2.75Å; S376-S379 WeakPolarHBondContact O-CB 3.5Å; S376-S379 PolarHBondContact O-N 2.8Å; S376-S379 PolarHBondContact O-OG 3.15Å; S376-S379 VanDerWaalsContact O-OG 3.11Å; S376-S379 PolarHBondContact OG-N 2.84Å; S376-S379 PolarHBondContact OG-OG 3.41Å; S376-S379 VanDerWaalsContact OG-OG 3.11Å; S379-G492 CarbonylContact O-C 3.56Å; S379-G492 VanDerWaalsContact O-C 3.25Å; S379-G493 PolarHBondContact O-N 3.48Å; S379-R538 VanDerWaalsContact CA-O 3.31Å; S379-R538 WeakPolarHBondContact CA-O 3.47Å; S379-D539 WeakPolarHBondContact CB-O 3.19Å; S379-D539 WeakPolarHBondContact OG-CB 3.23Å; S379-D539 PolarHBondContact OG-O 2.93Å
380	Y	92.3	Very high	86.5	Confident	36 Å²	36	38.7 Å²	38.7	14%	0.141	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.5	175.1	72.9	-96.1	0	0	0	111.5	A382 Y490 F491 L495 F537 R538	Y380-A382 HydrophobicContact CD2-CB 4.19Å; Y380-A382 HydrophobicContact CE2-CB 4.16Å; Y380-Y490 HydrophobicContact CD2-CD1 4.31Å; Y380-F491 CarbonylContact C-O 3.57Å; Y380-F491 VanDerWaalsContact CA-O 3.24Å; Y380-F491 WeakPolarHBondContact CA-O 3.38Å; Y380-L495 HydrophobicContact CE1-CD2 4.01Å; Y380-F537 VanDerWaalsContact O-CA 3.3Å; Y380-F537 WeakPolarHBondContact O-CA 3.44Å; Y380-R538 HydrophobicContact CD1-CB 3.63Å; Y380-R538 HydrophobicContact CE1-CB 3.29Å; Y380-R538 HydrophobicContact CE1-CG 4.21Å; Y380-R538 HydrophobicContact CG-CB 4.42Å; Y380-R538 PolarHBondContact N-O 3.34Å; Y380-R538 PolarHBondContact O-N 3.5Å
381	L	94.5	Very high	86.1	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115	169.6	173	60	0	0	0	108.2	F374 L383 Y490 F491 I517 V529 F537 L540	F374-L381 HydrophobicContact CE1-CB 4.15Å; F374-L381 HydrophobicContact CZ-CB 3.94Å; L381-L383 HydrophobicContact CD1-CD2 4.08Å; L381-L383 HydrophobicContact CD1-CG 4.2Å; L381-L383 HydrophobicContact CD2-CD1 3.97Å; L381-L383 HydrophobicContact CD2-CG 4.34Å; L381-L383 HydrophobicContact CG-CD1 4.1Å; L381-L383 HydrophobicContact CG-CD2 4.36Å; L381-L383 HydrophobicContact CG-CG 3.95Å; L381-Y490 CarbonylContact O-C 3.56Å; L381-Y490 WeakPolarHBondContact O-CA 3.48Å; L381-F491 HydrophobicContact CB-CB 4.18Å; L381-F491 PolarHBondContact N-O 3.39Å; L381-F491 PolarHBondContact O-N 3.46Å; L381-I517 HydrophobicContact CD2-CD1 3.92Å; L381-V529 HydrophobicContact CD1-CB 4.5Å; L381-V529 HydrophobicContact CD1-CG1 3.63Å; L381-V529 HydrophobicContact CD1-CG2 4.28Å; L381-F537 HydrophobicContact CD1-CB 4.29Å; L381-L540 HydrophobicContact CB-CD1 3.72Å; L381-L540 HydrophobicContact CD1-CD1 4.19Å; L381-L540 HydrophobicContact CG-CD1 4.42Å
382	A	93.2	Very high	85.7	Confident	4 Å²	4	41.2 Å²	41.2	3%	0.033	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.6	177.6	0	0	0	0	0	109.7	Y380 T488 Y489 Y490 G535 S536	Y380-A382 HydrophobicContact CD2-CB 4.19Å; Y380-A382 HydrophobicContact CE2-CB 4.16Å; A382-T488 HydrophobicContact CB-CG2 4.19Å; A382-Y489 WeakPolarHBondContact CA-O 3.33Å; A382-Y490 HydrophobicContact CB-CD1 3.79Å; A382-Y490 HydrophobicContact CB-CE1 3.69Å; A382-G535 CarbonylContact O-C 3.52Å; A382-G535 WeakPolarHBondContact O-CA 3.44Å; A382-S536 PolarHBondContact N-O 2.86Å; A382-S536 PolarHBondContact O-N 3.47Å
383	L	93.3	Very high	85.5	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.1	-178.1	-66.6	170.5	0	0	0	110.6	L381 T488 Y489 F491 I517 I519 V524 V529 L534	L381-L383 HydrophobicContact CD1-CD2 4.08Å; L381-L383 HydrophobicContact CD1-CG 4.2Å; L381-L383 HydrophobicContact CD2-CD1 3.97Å; L381-L383 HydrophobicContact CD2-CG 4.34Å; L381-L383 HydrophobicContact CG-CD1 4.1Å; L381-L383 HydrophobicContact CG-CD2 4.36Å; L381-L383 HydrophobicContact CG-CG 3.95Å; L383-T488 WeakPolarHBondContact O-CA 3.37Å; L383-Y489 PolarHBondContact N-O 2.83Å; L383-Y489 PolarHBondContact O-N 2.86Å; L383-F491 HydrophobicContact CD1-CD2 4.1Å; L383-F491 HydrophobicContact CD1-CE2 3.77Å; L383-I517 HydrophobicContact CD1-CG2 4.16Å; L383-I519 HydrophobicContact CB-CD1 3.79Å; L383-I519 HydrophobicContact CD1-CD1 4.01Å; L383-V524 HydrophobicContact CD1-CG1 3.9Å; L383-V524 HydrophobicContact CD1-CG2 4.14Å; L383-V524 HydrophobicContact CD2-CG1 3.93Å; L383-V529 HydrophobicContact CD2-CG2 3.82Å; L383-L534 HydrophobicContact CD2-CD2 4.42Å; L383-L534 HydrophobicContact CD2-CG 4.33Å
384	P	90.3	Very high	85.4	Confident	65 Å²	65	42.5 Å²	42.5	42%	0.422	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.8	177.1	28.6	-33.8	0	0	0	110.9	L534	P384-L534 HydrophobicContact CG-CD1 3.62Å
385	G	83.3	Confident	85.4	Confident	16 Å²	16	44.4 Å²	44.4	17%	0.165	26%	0.257	C	S	.	.			trans	-90.6	171	173.1	0	0	0	0	0	113.5	S387 D487	G385-S387 PolarHBondContact O-N 2.85Å; G385-D487 PolarHBondContact N-O 2.8Å
386	N	77.3	Confident	85.7	Confident	27 Å²	27	41.1 Å²	41.1	14%	0.144	24%	0.239	C	C	.	.			trans	-91.3	95.3	168.8	-71.5	-12	0	0	0	108	G388 E389 S485 K522	N386-G388 PolarHBondContact O-N 3.24Å; N386-E389 HydrophobicContact CB-CG 4.35Å; N386-E389 WeakPolarHBondContact CB-OE1 3.27Å; N386-E389 PolarHBondContact ND2-OE1 2.81Å; N386-S485 VanDerWaalsContact O-CB 3.24Å; N386-S485 WeakPolarHBondContact O-CB 3.48Å; N386-S485 PolarHBondContact O-OG 3.05Å; N386-K522 PolarHBondContact OD1-NZ 2.03Å
387	S	68.1	Low	86.1	Confident	81 Å²	81	41.7 Å²	41.7	57%	0.566	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	129.6	176.6	58.5	0	0	0	0	110.8	G385	G385-S387 PolarHBondContact O-N 2.85Å
388	G	64.8	Low	86.6	Confident	62 Å²	62	38.9 Å²	38.9	64%	0.639	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.3	10.8	173.9	0	0	0	0	0	116.5	N386	N386-G388 PolarHBondContact O-N 3.24Å
389	E	72.1	Confident	87	Confident	54 Å²	54	31.4 Å²	31.4	25%	0.252	19%	0.191	S	C	.	.			trans	-87.9	132.8	164.8	-73.5	-174.2	-147.7	0	0	111.2	N386 K391 S485	N386-E389 HydrophobicContact CB-CG 4.35Å; N386-E389 WeakPolarHBondContact CB-OE1 3.27Å; N386-E389 PolarHBondContact ND2-OE1 2.81Å; E389-K391 PolarHBondContact O-N 3.4Å; E389-K391 WeakPolarHBondContact OE2-CE 3.37Å; E389-S485 PolarHBondContact O-N 3.2Å
390	D	75.4	Confident	87.2	Confident	126 Å²	126	31.4 Å²	31.4	67%	0.674	19%	0.191	S	C	*	.	S	Bend	trans	-72.4	12.6	175.3	-56	-0.4	0	0	0	113.4	I483	D390-I483 CarbonylContact C-O 3.5Å
391	K	82.1	Confident	87.3	Confident	67 Å²	67	30.6 Å²	30.6	29%	0.291	19%	0.188	S	C	.	.			trans	-138.5	141.5	177.5	68.8	175.1	-176.8	173.2	0	109.5	E389 A460 K461 D521	E389-K391 PolarHBondContact O-N 3.4Å; E389-K391 WeakPolarHBondContact OE2-CE 3.37Å; K391-A460 WeakPolarHBondContact CA-O 3.42Å; K391-K461 HydrophobicContact CB-CG 4.17Å; K391-D521 IonicContact NZ-OD1 3.86Å; K391-D521 IonicContact NZ-OD2 4Å
392	V	86.1	Confident	87.3	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.4	162.3	177.5	0	0	0	0	107.1	V394 L412 F419 F458 S459 A460 I483 Y489	V392-V394 HydrophobicContact CG1-CG2 4.39Å; V392-L412 HydrophobicContact CG2-CD2 4.46Å; V392-F419 HydrophobicContact CG1-CE1 4.11Å; V392-F419 HydrophobicContact CG1-CZ 3.99Å; V392-F458 HydrophobicContact CB-CE1 4.34Å; V392-F458 HydrophobicContact CB-CZ 4.48Å; V392-F458 HydrophobicContact CG1-CD1 4.44Å; V392-F458 HydrophobicContact CG1-CE1 3.59Å; V392-F458 HydrophobicContact CG1-CZ 4.19Å; V392-S459 CarbonylContact O-C 3.46Å; V392-S459 WeakPolarHBondContact O-CA 3.1Å; V392-A460 HydrophobicContact CB-CB 4.46Å; V392-A460 PolarHBondContact N-O 2.8Å; V392-A460 PolarHBondContact O-N 3.34Å; V392-I483 HydrophobicContact CG2-CG2 3.97Å; V392-Y489 HydrophobicContact CG1-CE1 4.14Å
393	S	90.3	Very high	87.2	Confident	26 Å²	26	38.7 Å²	38.7	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	119.5	177.4	-175.3	0	0	0	0	109	F458 G520	S393-F458 WeakPolarHBondContact CA-O 3.44Å; S393-G520 PolarHBondContact O-N 3.05Å
394	V	92.9	Very high	87.2	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.3	179.2	-177.7	0	0	0	0	108.4	V392 F396 L408 F458 F491 T518	V392-V394 HydrophobicContact CG1-CG2 4.39Å; V394-F396 HydrophobicContact CG1-CD1 4.04Å; V394-F396 HydrophobicContact CG1-CE1 4.38Å; V394-L408 HydrophobicContact CB-CD2 4.12Å; V394-L408 HydrophobicContact CG1-CD2 3.95Å; V394-L408 HydrophobicContact CG2-CD2 4.22Å; V394-F458 PolarHBondContact N-O 3.17Å; V394-F458 PolarHBondContact O-N 2.89Å; V394-F491 HydrophobicContact CG1-CE1 4.03Å; V394-F491 HydrophobicContact CG1-CZ 3.78Å; V394-T518 WeakPolarHBondContact CA-O 3.42Å
395	T	95.3	Very high	87.2	Confident	41 Å²	41	37.3 Å²	37.3	25%	0.252	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.2	173.9	84.7	0	0	0	0	110.7	V456 S457 I517 T518	T395-V456 CarbonylContact C-O 3.58Å; T395-V456 VanDerWaalsContact CA-O 3.24Å; T395-V456 WeakPolarHBondContact CA-O 3.33Å; T395-S457 WeakPolarHBondContact CG2-OG 3.48Å; T395-I517 CarbonylContact O-C 3.3Å; T395-I517 WeakPolarHBondContact O-CA 3.33Å; T395-T518 PolarHBondContact N-O 3.35Å; T395-T518 PolarHBondContact O-N 3.19Å; T395-T518 PolarHBondContact OG1-OG1 2.82Å
396	F	96	Very high	87.6	Confident	3 Å²	3	36.8 Å²	36.8	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	164.2	176.1	57.5	-89.6	0	0	0	110	V394 F398 L407 L421 V456 F491 L514 I517	V394-F396 HydrophobicContact CG1-CD1 4.04Å; V394-F396 HydrophobicContact CG1-CE1 4.38Å; F396-F398 HydrophobicContact CD2-CB 4.24Å; F396-F398 HydrophobicContact CE2-CB 4.14Å; F396-F398 HydrophobicContact CE2-CD1 4.06Å; F396-F398 HydrophobicContact CE2-CG 4.41Å; F396-L407 HydrophobicContact CE2-CD2 4.35Å; F396-L421 HydrophobicContact CE1-CD2 4.26Å; F396-L421 HydrophobicContact CZ-CD2 3.87Å; F396-V456 HydrophobicContact CD2-CB 4.45Å; F396-V456 HydrophobicContact CE1-CB 4.45Å; F396-V456 HydrophobicContact CE1-CG1 4.36Å; F396-V456 HydrophobicContact CE2-CB 4.1Å; F396-V456 HydrophobicContact CE2-CG2 4.2Å; F396-V456 HydrophobicContact CZ-CB 4.1Å; F396-V456 HydrophobicContact CZ-CG1 4.11Å; F396-V456 PolarHBondContact N-O 2.79Å; F396-V456 PolarHBondContact O-N 3.25Å; F396-F491 AromaticContact CD1-CE1 3.9Å; F396-F491 HydrophobicContact CD1-CE1 3.9Å; F396-F491 HydrophobicContact CE1-CE1 4.16Å; F396-F491 HydrophobicContact CG-CE1 4.5Å; F396-L514 HydrophobicContact CD2-CD2 3.69Å; F396-L514 HydrophobicContact CE2-CD2 3.98Å; F396-I517 HydrophobicContact CB-CG1 4.13Å
397	Q	95.8	Very high	88.3	Confident	40 Å²	40	35.5 Å²	35.5	19%	0.187	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.2	165.6	-66.3	-173.3	-16.6	0	0	110.4	W453 H454 L514 R515 L516	Q397-W453 HydrophobicContact CB-CE3 3.89Å; Q397-W453 HydrophobicContact CB-CZ3 4.37Å; Q397-H454 CarbonylContact C-O 3.51Å; Q397-H454 WeakPolarHBondContact CA-O 3.49Å; Q397-L514 CarbonylContact O-C 3.52Å; Q397-L514 VanDerWaalsContact O-CA 3.28Å; Q397-L514 WeakPolarHBondContact O-CA 3.42Å; Q397-R515 HydrophobicContact CB-CG 3.91Å; Q397-R515 PolarHBondContact N-O 3.48Å; Q397-R515 PolarHBondContact O-N 3.15Å; Q397-L516 HydrophobicContact CG-CD1 4.29Å
398	F	96.4	Very high	89.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.4	174	80.9	-78	0	0	0	112.3	F396 T400 L407 L423 L428 L448 H454 V456 F510 C513 L514	F396-F398 HydrophobicContact CD2-CB 4.24Å; F396-F398 HydrophobicContact CE2-CB 4.14Å; F396-F398 HydrophobicContact CE2-CD1 4.06Å; F396-F398 HydrophobicContact CE2-CG 4.41Å; F398-T400 HydrophobicContact CD2-CG2 4.29Å; F398-T400 HydrophobicContact CE2-CG2 4.14Å; F398-L407 HydrophobicContact CB-CD2 4.34Å; F398-L407 HydrophobicContact CD2-CD2 4.24Å; F398-L407 HydrophobicContact CE2-CD1 4.45Å; F398-L407 HydrophobicContact CG-CD2 4.23Å; F398-L407 HydrophobicContact CZ-CD1 4.48Å; F398-L423 HydrophobicContact CE2-CD2 4.46Å; F398-L428 HydrophobicContact CE1-CD1 3.97Å; F398-L428 HydrophobicContact CE1-CD2 4.38Å; F398-L428 HydrophobicContact CE1-CG 4.5Å; F398-L428 HydrophobicContact CZ-CD1 4.33Å; F398-L428 HydrophobicContact CZ-CD2 4.1Å; F398-L428 HydrophobicContact CZ-CG 4.37Å; F398-L448 HydrophobicContact CZ-CB 3.98Å; F398-L448 HydrophobicContact CZ-CD1 4.33Å; F398-H454 HydrophobicContact CD1-CB 4.17Å; F398-H454 HydrophobicContact CE1-CB 3.78Å; F398-H454 HydrophobicContact CZ-CB 4.24Å; F398-H454 PolarHBondContact N-O 3Å; F398-H454 PolarHBondContact O-N 2.63Å; F398-V456 HydrophobicContact CD1-CG2 3.45Å; F398-V456 VanDerWaalsContact CD1-CG2 3.45Å; F398-V456 HydrophobicContact CE1-CG2 3.31Å; F398-F510 HydrophobicContact CB-CZ 4.2Å; F398-F510 AromaticContact CD2-CE2 3.91Å; F398-F510 HydrophobicContact CD2-CE2 3.91Å; F398-F510 HydrophobicContact CD2-CZ 4.17Å; F398-C513 VanDerWaalsContact CA-O 3.22Å; F398-C513 WeakPolarHBondContact CA-O 3.33Å; F398-L514 HydrophobicContact CB-CD2 3.34Å
399	R	95.9	Very high	90.6	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.7	165.3	66.4	177.5	-179	175.5	8.6	111.2	D268 G451 Q452 W453 G512 C513 C545 I547	D268-R399 IonicContact OD1-NH1 2.96Å; D268-R399 PolarHBondContact OD1-NH1 2.61Å; R399-G451 WeakPolarHBondContact CD-O 3.31Å; R399-Q452 WeakPolarHBondContact CA-O 3.32Å; R399-Q452 WeakPolarHBondContact CB-O 3.32Å; R399-W453 HydrophobicContact CB-CD2 4.26Å; R399-W453 HydrophobicContact CB-CE3 4.15Å; R399-W453 HydrophobicContact CG-CD2 3.99Å; R399-W453 HydrophobicContact CG-CE3 4Å; R399-W453 HydrophobicContact CG-CH2 4.16Å; R399-W453 HydrophobicContact CG-CZ2 4.12Å; R399-W453 HydrophobicContact CG-CZ3 4.08Å; R399-G512 WeakPolarHBondContact O-CA 3.46Å; R399-C513 HydrophobicContact CG-CB 4.08Å; R399-C513 PolarHBondContact N-O 2.74Å; R399-C513 PolarHBondContact O-N 3.34Å; R399-C545 PolarHBondContact NE-SG 2.88Å; R399-C545 PolarHBondContact NH2-SG 2.93Å; R399-I547 HydrophobicContact CG-CD1 4.22Å
400	T	95.6	Very high	91.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.			trans	-157.9	160.1	-179.2	-172.5	0	0	0	0	111.5	F398 N402 L423 N449 G451 F510 Q511	F398-T400 HydrophobicContact CD2-CG2 4.29Å; F398-T400 HydrophobicContact CE2-CG2 4.14Å; T400-N402 PolarHBondContact OG1-N 2.84Å; T400-L423 HydrophobicContact CG2-CD2 3.68Å; T400-N449 CarbonylContact O-C 3.59Å; T400-N449 VanDerWaalsContact O-CA 3.27Å; T400-N449 WeakPolarHBondContact O-CA 3.47Å; T400-G451 PolarHBondContact O-N 2.75Å; T400-F510 HydrophobicContact CG2-CE2 3.87Å; T400-Q511 WeakPolarHBondContact CB-O 3.37Å; T400-Q511 PolarHBondContact OG1-O 3.36Å
401	W	94.5	Very high	91.7	Very high	18 Å²	18	24.7 Å²	24.7	7%	0.068	12%	0.119	C	C	.	.	S	Bend	trans	-96.6	-15	166	-63.7	124.8	0	0	0	112.7	L266 R403 D450 I547 T548 D549 Q564	L266-W401 HydrophobicContact CD1-CZ2 4.42Å; L266-W401 HydrophobicContact CD2-CZ2 4.17Å; L266-W401 HydrophobicContact CG-CZ2 4.49Å; W401-R403 PolarHBondContact O-N 3.04Å; W401-D450 WeakPolarHBondContact CH2-O 3.44Å; W401-D450 WeakPolarHBondContact CZ3-O 3.38Å; W401-I547 HydrophobicContact CG-CD1 4.34Å; W401-T548 PolarHBondContact NE1-O 3.26Å; W401-D549 HydrophobicContact CZ2-CB 3.87Å; W401-Q564 HydrophobicContact CB-CG 4.24Å; W401-Q564 HydrophobicContact CD2-CG 3.95Å; W401-Q564 HydrophobicContact CE3-CG 3.99Å; W401-Q564 HydrophobicContact CG-CG 4.07Å
402	N	94.1	Very high	91.6	Very high	19 Å²	19	21.8 Å²	21.8	10%	0.102	11%	0.107	C	C	.	.			trans	-74.1	131.4	-176.4	-74.9	-0.8	0	0	0	110.7	T400 A404 L423 N449 Q511 S565 W566	T400-N402 PolarHBondContact OG1-N 2.84Å; N402-A404 PolarHBondContact O-N 3.48Å; N402-L423 WeakPolarHBondContact O-CD2 3.25Å; N402-N449 VanDerWaalsContact O-CB 3.27Å; N402-N449 WeakPolarHBondContact O-CB 3.45Å; N402-Q511 PolarHBondContact ND2-OE1 2.98Å; N402-S565 WeakPolarHBondContact OD1-CB 3.49Å; N402-W566 WeakPolarHBondContact OD1-CB 3.31Å; N402-W566 PolarHBondContact OD1-N 3.29Å
403	R	92.7	Very high	91	Very high	159 Å²	159	24 Å²	24	60%	0.6	12%	0.117	S	C	*	.	S	Bend	trans	-70.7	-17.7	176.2	-66.5	-178.2	-178	-172.4	1.2	113.5	W401 K424 D425 G426	W401-R403 PolarHBondContact O-N 3.04Å; R403-K424 CarbonylContact O-C 3.42Å; R403-D425 PolarHBondContact O-N 2.95Å; R403-G426 PolarHBondContact O-N 2.93Å
404	A	91.9	Very high	90	Very high	36 Å²	36	33.6 Å²	33.6	30%	0.298	15%	0.15	S	C	.	.			trans	-144.4	151.4	177.7	0	0	0	0	0	112.2	N402 L423 L507	N402-A404 PolarHBondContact O-N 3.48Å; A404-L423 CarbonylContact C-O 3.52Å; A404-L423 WeakPolarHBondContact CA-O 3.15Å; A404-L423 WeakPolarHBondContact CB-O 3.3Å; A404-L507 HydrophobicContact CB-CD2 4.01Å
405	G	91	Very high	88.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	148.8	177.7	0	0	0	0	0	113	L407 F422 L423	G405-L407 PolarHBondContact O-N 2.96Å; G405-F422 CarbonylContact O-C 3.47Å; G405-F422 WeakPolarHBondContact O-CA 3.33Å; G405-L423 PolarHBondContact N-O 2.97Å; G405-L423 PolarHBondContact O-N 2.84Å
406	H	90.6	Very high	87.5	Confident	5 Å²	5	37.3 Å²	37.3	2%	0.023	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.6	-179.4	-177.3	-73	0	0	0	112	F409 V420 G492 G508 F510	H406-F409 WeakPolarHBondContact CE1-CB 3.47Å; H406-V420 VanDerWaalsContact NE2-CG1 3.35Å; H406-V420 WeakPolarHBondContact NE2-CG1 3.41Å; H406-G492 CarbonylContact O-C 3.51Å; H406-G492 VanDerWaalsContact O-C 3.25Å; H406-G492 WeakPolarHBondContact O-CA 3.4Å; H406-G508 PolarHBondContact N-O 2.81Å; H406-F510 WeakPolarHBondContact O-CB 3.32Å; H406-F510 PolarHBondContact O-N 2.74Å
407	L	92.6	Very high	86.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-47.8	-172.6	-82.4	160.3	0	0	0	113.6	F396 F398 G405 L421 L423 L428 F491 G492 F510 L514	F396-L407 HydrophobicContact CE2-CD2 4.35Å; F398-L407 HydrophobicContact CB-CD2 4.34Å; F398-L407 HydrophobicContact CD2-CD2 4.24Å; F398-L407 HydrophobicContact CE2-CD1 4.45Å; F398-L407 HydrophobicContact CG-CD2 4.23Å; F398-L407 HydrophobicContact CZ-CD1 4.48Å; G405-L407 PolarHBondContact O-N 2.96Å; L407-L421 HydrophobicContact CB-CG 4.45Å; L407-L421 WeakPolarHBondContact CB-O 3.39Å; L407-L421 PolarHBondContact N-O 3.13Å; L407-L423 HydrophobicContact CD1-CB 4.31Å; L407-L428 HydrophobicContact CD1-CD2 3.23Å; L407-F491 CarbonylContact O-C 3.56Å; L407-F491 WeakPolarHBondContact O-CA 3.34Å; L407-G492 PolarHBondContact O-N 3.29Å; L407-F510 HydrophobicContact CD2-CB 4.41Å; L407-F510 HydrophobicContact CD2-CD1 4.1Å; L407-F510 HydrophobicContact CD2-CD2 3.41Å; L407-F510 VanDerWaalsContact CD2-CD2 3.41Å; L407-F510 HydrophobicContact CD2-CE1 4.16Å; L407-F510 HydrophobicContact CD2-CE2 3.48Å; L407-F510 VanDerWaalsContact CD2-CE2 3.48Å; L407-F510 HydrophobicContact CD2-CG 3.73Å; L407-F510 HydrophobicContact CD2-CZ 3.87Å; L407-F510 HydrophobicContact CG-CD2 3.97Å; L407-F510 HydrophobicContact CG-CE2 4.39Å; L407-F510 HydrophobicContact CG-CG 4.35Å; L407-L514 HydrophobicContact CD2-CD2 4.38Å
408	L	92.3	Very high	86.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	136.8	-174.8	172.8	67.3	0	0	0	111.1	V394 F419 V420 L421 Y489 Y490 F491	V394-L408 HydrophobicContact CB-CD2 4.12Å; V394-L408 HydrophobicContact CG1-CD2 3.95Å; V394-L408 HydrophobicContact CG2-CD2 4.22Å; L408-F419 HydrophobicContact CD2-CE2 3.9Å; L408-F419 HydrophobicContact CG-CE2 4.01Å; L408-V420 CarbonylContact O-C 3.52Å; L408-V420 WeakPolarHBondContact O-CA 3.46Å; L408-L421 HydrophobicContact CB-CB 4.11Å; L408-L421 PolarHBondContact N-O 2.83Å; L408-L421 VanDerWaalsContact N-O 3.09Å; L408-L421 PolarHBondContact O-N 2.8Å; L408-Y489 HydrophobicContact CD1-CD1 4.48Å; L408-Y490 CarbonylContact C-O 3.57Å; L408-Y490 VanDerWaalsContact CA-O 3.31Å; L408-Y490 WeakPolarHBondContact CA-O 3.47Å; L408-F491 HydrophobicContact CB-CD1 4.5Å; L408-F491 HydrophobicContact CD1-CD1 4.01Å; L408-F491 HydrophobicContact CD1-CD2 4.06Å; L408-F491 HydrophobicContact CD1-CE1 3.83Å; L408-F491 HydrophobicContact CD1-CE2 3.85Å; L408-F491 HydrophobicContact CD1-CG 4.13Å; L408-F491 HydrophobicContact CD1-CZ 3.75Å
409	F	89.8	Confident	85.8	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.4	171	167.2	-103.8	0	0	0	110.3	H406 E411 F419 V420 Y490 C494 C503	H406-F409 WeakPolarHBondContact CE1-CB 3.47Å; F409-E411 HydrophobicContact CE1-CG 3.96Å; F409-E411 HydrophobicContact CZ-CG 3.67Å; F409-F419 WeakPolarHBondContact CA-O 3.12Å; F409-V420 HydrophobicContact CD2-CG2 3.93Å; F409-Y490 AromaticContact CD1-CD2 3.81Å; F409-Y490 HydrophobicContact CD1-CD2 3.81Å; F409-Y490 HydrophobicContact CD1-CG 4.43Å; F409-Y490 HydrophobicContact CE1-CD2 4.31Å; F409-Y490 PolarHBondContact N-O 3.32Å; F409-Y490 PolarHBondContact O-N 2.92Å; F409-C494 HydrophobicContact CD1-CB 4.21Å; F409-C503 HydrophobicContact CE1-CB 4.41Å; F409-C503 HydrophobicContact CE2-CB 4.12Å; F409-C503 HydrophobicContact CZ-CB 4.07Å
410	G	86.8	Confident	85.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	143.5	170.4	0	0	0	0	0	111	S418 F419	G410-S418 WeakPolarHBondContact O-CA 3.46Å; G410-F419 PolarHBondContact N-O 2.9Å; G410-F419 VanDerWaalsContact N-O 3.17Å; G410-F419 WeakPolarHBondContact O-CD1 3.3Å; G410-F419 PolarHBondContact O-N 3.44Å
411	E	83	Confident	85.2	Confident	92 Å²	92	36.6 Å²	36.6	43%	0.43	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	148.3	169.4	-65.2	-174.4	171.3	0	0	109.6	F409 G486	F409-E411 HydrophobicContact CE1-CG 3.96Å; F409-E411 HydrophobicContact CZ-CG 3.67Å; E411-G486 VanDerWaalsContact O-CA 3.24Å; E411-G486 WeakPolarHBondContact O-CA 3Å; E411-G486 PolarHBondContact O-N 2.87Å
412	L	80.6	Confident	85.1	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	151.8	171.3	-61.2	176.9	0	0	0	109.6	V392 G415 S416 G417 F419 L432 I483	V392-L412 HydrophobicContact CG2-CD2 4.46Å; L412-G415 PolarHBondContact O-N 3.41Å; L412-S416 WeakPolarHBondContact CB-OG 3.35Å; L412-G417 PolarHBondContact N-O 2.89Å; L412-F419 HydrophobicContact CD2-CD1 4.18Å; L412-L432 HydrophobicContact CD1-CD1 4.07Å; L412-I483 HydrophobicContact CD2-CG2 3.87Å
413	Q	74	Confident	85	Confident	49 Å²	49	36 Å²	36	23%	0.229	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-55.6	150.2	178.8	-69.7	-83.8	-22.5	0	0	111.8	G415 S416 D484 S485 D487	Q413-G415 PolarHBondContact O-N 2.6Å; Q413-S416 PolarHBondContact O-N 3.14Å; Q413-S416 PolarHBondContact O-OG 2.91Å; Q413-D484 HydrophobicContact CB-CB 3.63Å; Q413-D484 HydrophobicContact CG-CB 3.84Å; Q413-D484 PolarHBondContact N-O 3.01Å; Q413-S485 WeakPolarHBondContact CG-O 2.98Å; Q413-S485 PolarHBondContact NE2-O 2.55Å; Q413-S485 VanDerWaalsContact NE2-O 3.07Å; Q413-D487 PolarHBondContact NE2-OD1 2.97Å
414	R	67.6	Low	85	Confident	227 Å²	227	33 Å²	33	86%	0.857	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	61.7	18.7	177.9	-54.5	176.9	-179.9	171	2.1	115.3	S416	R414-S416 PolarHBondContact O-N 3.23Å
415	G	64.3	Low	85	Confident	68 Å²	68	37 Å²	37	70%	0.701	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	67.5	21	179.8	0	0	0	0	0	113.7	L412 Q413 G417	L412-G415 PolarHBondContact O-N 3.41Å; Q413-G415 PolarHBondContact O-N 2.6Å; G415-G417 PolarHBondContact O-N 2.88Å
416	S	72.5	Confident	85	Confident	51 Å²	51	37 Å²	37	36%	0.357	20%	0.195	S	C	.	.	S	Bend	trans	-68.2	-17.4	-178.3	55.3	0	0	0	0	113.6	L412 Q413 R414	L412-S416 WeakPolarHBondContact CB-OG 3.35Å; Q413-S416 PolarHBondContact O-N 3.14Å; Q413-S416 PolarHBondContact O-OG 2.91Å; R414-S416 PolarHBondContact O-N 3.23Å
417	G	81.2	Confident	85.1	Confident	14 Å²	14	41.6 Å²	41.6	14%	0.144	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-168.9	179.5	0	0	0	0	0	113	L412 G415 F433	L412-G417 PolarHBondContact N-O 2.89Å; G415-G417 PolarHBondContact O-N 2.88Å; G417-F433 CarbonylContact C-O 3.53Å; G417-F433 WeakPolarHBondContact CA-O 3.08Å
418	S	83.9	Confident	85.2	Confident	12 Å²	12	41.6 Å²	41.6	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	155.5	175.4	61.7	0	0	0	0	110.1	G410 F433	G410-S418 WeakPolarHBondContact O-CA 3.46Å; S418-F433 PolarHBondContact N-O 3.03Å; S418-F433 PolarHBondContact O-N 2.86Å
419	F	86.6	Confident	85.1	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.4	171.2	70.1	-88.3	0	0	0	110.9	V392 L408 F409 G410 L412 L430 S431 L432 F458 Y489	V392-F419 HydrophobicContact CG1-CE1 4.11Å; V392-F419 HydrophobicContact CG1-CZ 3.99Å; L408-F419 HydrophobicContact CD2-CE2 3.9Å; L408-F419 HydrophobicContact CG-CE2 4.01Å; F409-F419 WeakPolarHBondContact CA-O 3.12Å; G410-F419 PolarHBondContact N-O 2.9Å; G410-F419 VanDerWaalsContact N-O 3.17Å; G410-F419 WeakPolarHBondContact O-CD1 3.3Å; G410-F419 PolarHBondContact O-N 3.44Å; L412-F419 HydrophobicContact CD2-CD1 4.18Å; F419-L430 HydrophobicContact CD2-CD1 4.25Å; F419-S431 CarbonylContact C-O 3.53Å; F419-S431 WeakPolarHBondContact CA-O 3.19Å; F419-L432 HydrophobicContact CB-CD1 3.95Å; F419-F458 AromaticContact CD2-CE1 3.88Å; F419-F458 HydrophobicContact CD2-CE1 3.88Å; F419-F458 HydrophobicContact CD2-CZ 4.26Å; F419-F458 HydrophobicContact CE2-CD1 4.41Å; F419-F458 AromaticContact CE2-CE1 3.72Å; F419-F458 HydrophobicContact CE2-CE1 3.72Å; F419-F458 HydrophobicContact CG-CE1 4.49Å; F419-F458 HydrophobicContact CZ-CE1 4.21Å; F419-Y489 HydrophobicContact CE1-CD1 4.33Å; F419-Y489 AromaticContact CE1-CE1 3.83Å; F419-Y489 HydrophobicContact CE1-CE1 3.83Å; F419-Y489 AromaticContact CZ-CD1 3.7Å; F419-Y489 HydrophobicContact CZ-CD1 3.7Å; F419-Y489 AromaticContact CZ-CE1 3.48Å; F419-Y489 HydrophobicContact CZ-CE1 3.48Å; F419-Y489 VanDerWaalsContact CZ-CE1 3.48Å
420	V	88.3	Confident	85.1	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.6	-178.6	-173.4	0	0	0	0	109	H406 L408 F409 F422 L430 S431 F433 G502	H406-V420 VanDerWaalsContact NE2-CG1 3.35Å; H406-V420 WeakPolarHBondContact NE2-CG1 3.41Å; L408-V420 CarbonylContact O-C 3.52Å; L408-V420 WeakPolarHBondContact O-CA 3.46Å; F409-V420 HydrophobicContact CD2-CG2 3.93Å; V420-F422 HydrophobicContact CB-CD1 4.5Å; V420-F422 HydrophobicContact CG1-CD1 3.87Å; V420-L430 CarbonylContact O-C 3.25Å; V420-L430 WeakPolarHBondContact O-CA 3.41Å; V420-S431 PolarHBondContact N-O 2.88Å; V420-S431 PolarHBondContact O-N 3.25Å; V420-F433 HydrophobicContact CB-CE2 4.25Å; V420-F433 HydrophobicContact CG2-CD2 4.15Å; V420-F433 HydrophobicContact CG2-CE2 3.74Å; V420-G502 WeakPolarHBondContact CG2-O 3.38Å
421	L	91.6	Very high	85.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.3	167.7	-177.5	68.6	0	0	0	108.7	F396 L407 L408 L428 L430 V456	F396-L421 HydrophobicContact CE1-CD2 4.26Å; F396-L421 HydrophobicContact CZ-CD2 3.87Å; L407-L421 HydrophobicContact CB-CG 4.45Å; L407-L421 WeakPolarHBondContact CB-O 3.39Å; L407-L421 PolarHBondContact N-O 3.13Å; L408-L421 HydrophobicContact CB-CB 4.11Å; L408-L421 PolarHBondContact N-O 2.83Å; L408-L421 VanDerWaalsContact N-O 3.09Å; L408-L421 PolarHBondContact O-N 2.8Å; L421-L428 HydrophobicContact CD1-CB 4.31Å; L421-L430 HydrophobicContact CB-CD1 4.21Å; L421-L430 HydrophobicContact CD1-CB 3.95Å; L421-L430 HydrophobicContact CD1-CD1 4.43Å; L421-V456 HydrophobicContact CD2-CG1 4.16Å
422	F	91.1	Very high	85.3	Confident	23 Å²	23	40.2 Å²	40.2	10%	0.101	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.5	177.8	59.7	-87.2	0	0	0	111.4	G405 V420 K424 K429 L507	G405-F422 CarbonylContact O-C 3.47Å; G405-F422 WeakPolarHBondContact O-CA 3.33Å; V420-F422 HydrophobicContact CB-CD1 4.5Å; V420-F422 HydrophobicContact CG1-CD1 3.87Å; F422-K424 HydrophobicContact CD2-CB 3.93Å; F422-K424 HydrophobicContact CE2-CB 3.88Å; F422-K424 HydrophobicContact CE2-CD 4.2Å; F422-K429 WeakPolarHBondContact CD1-O 3.48Å; F422-K429 HydrophobicContact CD2-CB 4.27Å; F422-K429 HydrophobicContact CE1-CB 4.31Å; F422-K429 HydrophobicContact CE1-CD 4.41Å; F422-K429 HydrophobicContact CE1-CG 4.13Å; F422-K429 HydrophobicContact CE2-CB 3.82Å; F422-K429 HydrophobicContact CE2-CD 3.89Å; F422-K429 HydrophobicContact CE2-CG 4.11Å; F422-K429 HydrophobicContact CZ-CB 3.86Å; F422-K429 HydrophobicContact CZ-CD 3.52Å; F422-K429 HydrophobicContact CZ-CG 3.67Å; F422-K429 PolarHBondContact N-O 3.34Å; F422-K429 PolarHBondContact O-N 3.13Å; F422-L507 HydrophobicContact CD2-CD1 3.61Å; F422-L507 HydrophobicContact CE2-CD1 4.04Å; F422-L507 HydrophobicContact CG-CD1 4.37Å
423	L	93.1	Very high	85.4	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.3	168.8	-171.3	67.1	0	0	0	108.2	F398 T400 N402 A404 G405 L407 K427 L428 L448 N449	F398-L423 HydrophobicContact CE2-CD2 4.46Å; T400-L423 HydrophobicContact CG2-CD2 3.68Å; N402-L423 WeakPolarHBondContact O-CD2 3.25Å; A404-L423 CarbonylContact C-O 3.52Å; A404-L423 WeakPolarHBondContact CA-O 3.15Å; A404-L423 WeakPolarHBondContact CB-O 3.3Å; G405-L423 PolarHBondContact N-O 2.97Å; G405-L423 PolarHBondContact O-N 2.84Å; L407-L423 HydrophobicContact CD1-CB 4.31Å; L423-K427 WeakPolarHBondContact CA-O 3.36Å; L423-L428 HydrophobicContact CB-CD2 4.33Å; L423-L428 HydrophobicContact CD1-CD2 4Å; L423-L448 HydrophobicContact CD1-CB 4.08Å; L423-L448 HydrophobicContact CD1-CD1 4.4Å; L423-N449 HydrophobicContact CD2-CB 4.5Å
424	K	91.9	Very high	85.6	Confident	97 Å²	97	41.3 Å²	41.3	42%	0.422	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	126.3	173.9	-179.6	175.8	179.1	179.5	0	109.8	R403 F422 G426 K427	R403-K424 CarbonylContact O-C 3.42Å; F422-K424 HydrophobicContact CD2-CB 3.93Å; F422-K424 HydrophobicContact CE2-CB 3.88Å; F422-K424 HydrophobicContact CE2-CD 4.2Å; K424-G426 PolarHBondContact O-N 2.79Å; K424-K427 PolarHBondContact N-O 3.07Å; K424-K427 PolarHBondContact O-N 2.92Å
425	D	91.9	Very high	85.8	Confident	120 Å²	120	34.8 Å²	34.8	64%	0.642	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	36.8	-178.3	-52.2	-44.6	0	0	0	112.4	R403 K427	R403-D425 PolarHBondContact O-N 2.95Å; D425-K427 VanDerWaalsContact C-N 3.29Å; D425-K427 PolarHBondContact O-N 2.81Å
426	G	91.3	Very high	86	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	12.2	-177.8	0	0	0	0	0	115.3	R403 K424 A446 G447 L448 N449	R403-G426 PolarHBondContact O-N 2.93Å; K424-G426 PolarHBondContact O-N 2.79Å; G426-A446 CarbonylContact O-C 3.32Å; G426-G447 PolarHBondContact O-N 2.83Å; G426-L448 WeakPolarHBondContact O-CG 3.39Å; G426-L448 PolarHBondContact O-N 3.3Å; G426-N449 WeakPolarHBondContact CA-OD1 3.41Å
427	K	93.6	Very high	86.2	Confident	101 Å²	101	38.2 Å²	38.2	44%	0.439	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.2	176.8	-54	-171.9	178.1	178.5	0	110.9	L423 K424 D425 T443 G445	L423-K427 WeakPolarHBondContact CA-O 3.36Å; K424-K427 PolarHBondContact N-O 3.07Å; K424-K427 PolarHBondContact O-N 2.92Å; D425-K427 VanDerWaalsContact C-N 3.29Å; D425-K427 PolarHBondContact O-N 2.81Å; K427-T443 HydrophobicContact CB-CG2 3.89Å; K427-T443 HydrophobicContact CD-CG2 4.23Å; K427-G445 WeakPolarHBondContact CG-O 3.46Å
428	L	93.2	Very high	85.9	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.9	173.3	-74	-177.5	0	0	0	110.1	F398 L407 L421 L423 T443 A444 L448 V456 V469	F398-L428 HydrophobicContact CE1-CD1 3.97Å; F398-L428 HydrophobicContact CE1-CD2 4.38Å; F398-L428 HydrophobicContact CE1-CG 4.5Å; F398-L428 HydrophobicContact CZ-CD1 4.33Å; F398-L428 HydrophobicContact CZ-CD2 4.1Å; F398-L428 HydrophobicContact CZ-CG 4.37Å; L407-L428 HydrophobicContact CD1-CD2 3.23Å; L421-L428 HydrophobicContact CD1-CB 4.31Å; L423-L428 HydrophobicContact CB-CD2 4.33Å; L423-L428 HydrophobicContact CD1-CD2 4Å; L428-T443 CarbonylContact O-C 3.53Å; L428-T443 WeakPolarHBondContact O-CA 3.28Å; L428-T443 WeakPolarHBondContact O-CG2 3.4Å; L428-A444 PolarHBondContact N-O 2.75Å; L428-A444 PolarHBondContact O-N 2.83Å; L428-L448 HydrophobicContact CB-CD1 4.32Å; L428-L448 HydrophobicContact CD1-CD1 4.18Å; L428-L448 HydrophobicContact CG-CD1 3.64Å; L428-V456 HydrophobicContact CD1-CB 4.39Å; L428-V456 HydrophobicContact CD1-CG1 3.88Å; L428-V456 HydrophobicContact CD1-CG2 3.52Å; L428-V469 HydrophobicContact CD1-CG2 3.78Å
429	K	91.3	Very high	85.7	Confident	55 Å²	55	44.4 Å²	44.4	24%	0.239	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.1	174.6	-176.3	168.4	172.4	-177.8	0	109.7	F422 N441 V442	F422-K429 WeakPolarHBondContact CD1-O 3.48Å; F422-K429 HydrophobicContact CD2-CB 4.27Å; F422-K429 HydrophobicContact CE1-CB 4.31Å; F422-K429 HydrophobicContact CE1-CD 4.41Å; F422-K429 HydrophobicContact CE1-CG 4.13Å; F422-K429 HydrophobicContact CE2-CB 3.82Å; F422-K429 HydrophobicContact CE2-CD 3.89Å; F422-K429 HydrophobicContact CE2-CG 4.11Å; F422-K429 HydrophobicContact CZ-CB 3.86Å; F422-K429 HydrophobicContact CZ-CD 3.52Å; F422-K429 HydrophobicContact CZ-CG 3.67Å; F422-K429 PolarHBondContact N-O 3.34Å; F422-K429 PolarHBondContact O-N 3.13Å; K429-N441 WeakPolarHBondContact CE-ND2 3.25Å; K429-N441 WeakPolarHBondContact CE-OD1 3.38Å; K429-N441 PolarHBondContact NZ-ND2 2.83Å; K429-V442 CarbonylContact C-O 3.43Å; K429-V442 WeakPolarHBondContact CA-O 3.2Å
430	L	89.9	Confident	85.6	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.5	173.2	176.4	66.9	0	0	0	109	F419 V420 L421 N441 V442 F458 M465 V467	F419-L430 HydrophobicContact CD2-CD1 4.25Å; V420-L430 CarbonylContact O-C 3.25Å; V420-L430 WeakPolarHBondContact O-CA 3.41Å; L421-L430 HydrophobicContact CB-CD1 4.21Å; L421-L430 HydrophobicContact CD1-CB 3.95Å; L421-L430 HydrophobicContact CD1-CD1 4.43Å; L430-N441 CarbonylContact O-C 3.44Å; L430-N441 VanDerWaalsContact O-CA 3.24Å; L430-N441 WeakPolarHBondContact O-CA 3.24Å; L430-V442 HydrophobicContact CB-CB 4.39Å; L430-V442 PolarHBondContact N-O 3.41Å; L430-V442 PolarHBondContact O-N 3.48Å; L430-F458 HydrophobicContact CD1-CD2 4.37Å; L430-F458 HydrophobicContact CD1-CE2 4.24Å; L430-F458 HydrophobicContact CD1-CZ 4.37Å; L430-F458 HydrophobicContact CD2-CD2 3.23Å; L430-F458 HydrophobicContact CD2-CE2 3.25Å; L430-F458 HydrophobicContact CD2-CG 4.15Å; L430-F458 HydrophobicContact CD2-CZ 4.13Å; L430-F458 HydrophobicContact CG-CD2 4.44Å; L430-F458 HydrophobicContact CG-CE2 4.35Å; L430-M465 HydrophobicContact CB-CE 4.48Å; L430-M465 HydrophobicContact CD2-CE 3.79Å; L430-M465 HydrophobicContact CD2-CG 3.45Å; L430-M465 VanDerWaalsContact CD2-CG 3.45Å; L430-M465 HydrophobicContact CD2-SD 3.31Å; L430-M465 WeakPolarHBondContact CD2-SD 3.36Å; L430-M465 HydrophobicContact CG-CE 3.92Å; L430-M465 HydrophobicContact CG-SD 3.77Å; L430-V467 HydrophobicContact CB-CG2 3.86Å; L430-V467 HydrophobicContact CD2-CG2 3.46Å; L430-V467 VanDerWaalsContact CD2-CG2 3.46Å; L430-V467 HydrophobicContact CG-CG2 4.34Å
431	S	87.6	Confident	85.6	Confident	5 Å²	5	49.4 Å²	49.4	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.9	179.2	-68.9	0	0	0	0	110.3	F419 V420 R440 N441	F419-S431 CarbonylContact C-O 3.53Å; F419-S431 WeakPolarHBondContact CA-O 3.19Å; V420-S431 PolarHBondContact N-O 2.88Å; V420-S431 PolarHBondContact O-N 3.25Å; S431-R440 WeakPolarHBondContact CA-O 3.4Å; S431-N441 WeakPolarHBondContact CB-OD1 3.3Å; S431-N441 PolarHBondContact OG-OD1 3.15Å
432	L	86.2	Confident	85.5	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.7	172.7	-176.5	67.4	0	0	0	109.3	L412 F419 Q434 P439 R440 M465 L478 I483	L412-L432 HydrophobicContact CD1-CD1 4.07Å; F419-L432 HydrophobicContact CB-CD1 3.95Å; L432-Q434 HydrophobicContact CG-CG 4.49Å; L432-P439 WeakPolarHBondContact O-CA 3.42Å; L432-R440 PolarHBondContact N-O 2.87Å; L432-R440 PolarHBondContact O-N 3.42Å; L432-M465 HydrophobicContact CB-SD 4.19Å; L432-L478 HydrophobicContact CD2-CD2 4.26Å; L432-I483 HydrophobicContact CD2-CD1 4.43Å
433	F	82.1	Confident	85.5	Confident	52 Å²	52	52.1 Å²	52.1	23%	0.228	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.1	178	-61.5	-91.7	0	0	0	109.6	G417 S418 V420 P439	G417-F433 CarbonylContact C-O 3.53Å; G417-F433 WeakPolarHBondContact CA-O 3.08Å; S418-F433 PolarHBondContact N-O 3.03Å; S418-F433 PolarHBondContact O-N 2.86Å; V420-F433 HydrophobicContact CB-CE2 4.25Å; V420-F433 HydrophobicContact CG2-CD2 4.15Å; V420-F433 HydrophobicContact CG2-CE2 3.74Å; F433-P439 HydrophobicContact CD1-CB 3.82Å; F433-P439 HydrophobicContact CD1-CG 3.6Å; F433-P439 HydrophobicContact CE1-CB 3.66Å; F433-P439 HydrophobicContact CE1-CG 3.41Å; F433-P439 VanDerWaalsContact CE1-CG 3.41Å; F433-P439 HydrophobicContact CZ-CB 4.25Å; F433-P439 HydrophobicContact CZ-CG 4.37Å
434	Q	78.1	Confident	85.4	Confident	26 Å²	26	52.5 Å²	52.5	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.6	177.1	-71.8	176.9	-19.4	0	0	109.5	L432 G436 Q437	L432-Q434 HydrophobicContact CG-CG 4.49Å; Q434-G436 PolarHBondContact O-N 3.02Å; Q434-Q437 HydrophobicContact CB-CB 4.49Å; Q434-Q437 PolarHBondContact O-N 3.13Å
435	A	71.6	Confident	85.3	Confident	90 Å²	90	49 Å²	49	74%	0.744	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	122	-179.1	0	0	0	0	0	111	Q437	A435-Q437 PolarHBondContact O-N 2.01Å
436	G	70	Confident	85.3	Confident	92 Å²	92	46.6 Å²	46.6	95%	0.948	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	5.2	176.4	0	0	0	0	0	116.4	Q434	Q434-G436 PolarHBondContact O-N 3.02Å
437	Q	75.4	Confident	85.4	Confident	98 Å²	98	48.6 Å²	48.6	46%	0.458	32%	0.316	S	S	.	.	S	Bend	trans	-117	156.9	176.1	-64.1	-170.9	25	0	0	112.5	Q434 A435	Q434-Q437 HydrophobicContact CB-CB 4.49Å; Q434-Q437 PolarHBondContact O-N 3.13Å; A435-Q437 PolarHBondContact O-N 2.01Å
438	S	75.8	Confident	85.4	Confident	98 Å²	98	44 Å²	44	69%	0.685	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-69.2	147.1	170	58.5	0	0	0	0	110.9	R440	S438-R440 PolarHBondContact O-N 2.81Å
439	P	79.9	Confident	85.4	Confident	58 Å²	58	45.5 Å²	45.5	38%	0.377	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-63.8	129.1	-178.8	-18.6	30.4	0	0	0	111.4	L432 F433	L432-P439 WeakPolarHBondContact O-CA 3.42Å; F433-P439 HydrophobicContact CD1-CB 3.82Å; F433-P439 HydrophobicContact CD1-CG 3.6Å; F433-P439 HydrophobicContact CE1-CB 3.66Å; F433-P439 HydrophobicContact CE1-CG 3.41Å; F433-P439 VanDerWaalsContact CE1-CG 3.41Å; F433-P439 HydrophobicContact CZ-CB 4.25Å; F433-P439 HydrophobicContact CZ-CG 4.37Å
440	R	84.9	Confident	85.4	Confident	54 Å²	54	45.4 Å²	45.4	20%	0.204	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.4	175.4	-61	-175	-172.9	-174.7	6.2	109.5	S431 L432 S438	S431-R440 WeakPolarHBondContact CA-O 3.4Å; L432-R440 PolarHBondContact N-O 2.87Å; L432-R440 PolarHBondContact O-N 3.42Å; S438-R440 PolarHBondContact O-N 2.81Å
441	N	87.3	Confident	85.6	Confident	60 Å²	60	45.4 Å²	45.4	32%	0.321	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.1	-171.1	-62.8	-40.6	0	0	0	112.1	K429 L430 S431	K429-N441 WeakPolarHBondContact CE-ND2 3.25Å; K429-N441 WeakPolarHBondContact CE-OD1 3.38Å; K429-N441 PolarHBondContact NZ-ND2 2.83Å; L430-N441 CarbonylContact O-C 3.44Å; L430-N441 VanDerWaalsContact O-CA 3.24Å; L430-N441 WeakPolarHBondContact O-CA 3.24Å; S431-N441 WeakPolarHBondContact CB-OD1 3.3Å; S431-N441 PolarHBondContact OG-OD1 3.15Å
442	V	89.3	Confident	85.8	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.036	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.7	164.5	171.5	0	0	0	0	107.6	K429 L430 M465 V467 A474 Q476	K429-V442 CarbonylContact C-O 3.43Å; K429-V442 WeakPolarHBondContact CA-O 3.2Å; L430-V442 HydrophobicContact CB-CB 4.39Å; L430-V442 PolarHBondContact N-O 3.41Å; L430-V442 PolarHBondContact O-N 3.48Å; V442-M465 HydrophobicContact CB-CE 3.89Å; V442-M465 HydrophobicContact CG2-CB 4.37Å; V442-M465 HydrophobicContact CG2-CE 3.29Å; V442-M465 HydrophobicContact CG2-CG 4.28Å; V442-V467 HydrophobicContact CB-CG2 4.35Å; V442-V467 HydrophobicContact CG1-CB 4.08Å; V442-V467 HydrophobicContact CG1-CG2 3.85Å; V442-A474 HydrophobicContact CG1-CB 3.82Å; V442-Q476 HydrophobicContact CG2-CB 3.19Å; V442-Q476 HydrophobicContact CG2-CG 4.19Å
443	T	91.1	Very high	86.1	Confident	74 Å²	74	48 Å²	48	45%	0.454	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.4	174	-52.4	0	0	0	0	109.6	K427 L428	K427-T443 HydrophobicContact CB-CG2 3.89Å; K427-T443 HydrophobicContact CD-CG2 4.23Å; L428-T443 CarbonylContact O-C 3.53Å; L428-T443 WeakPolarHBondContact O-CA 3.28Å; L428-T443 WeakPolarHBondContact O-CG2 3.4Å
444	A	92.2	Very high	86.7	Confident	8 Å²	8	46 Å²	46	7%	0.066	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.3	-178.4	0	0	0	0	0	111.8	L428 V467 V469 A474	L428-A444 PolarHBondContact N-O 2.75Å; L428-A444 PolarHBondContact O-N 2.83Å; A444-V467 HydrophobicContact CB-CB 4.2Å; A444-V467 HydrophobicContact CB-CG1 3.91Å; A444-V469 HydrophobicContact CB-CG2 3.83Å; A444-A474 HydrophobicContact CB-CB 3.81Å
445	G	89.6	Confident	87.5	Confident	23 Å²	23	47.2 Å²	47.2	24%	0.237	32%	0.32	C	S	.	.			trans	70.3	174.7	179.2	0	0	0	0	0	115.1	K427	K427-G445 WeakPolarHBondContact CG-O 3.46Å
446	A	91.9	Very high	88.6	Confident	71 Å²	71	43 Å²	43	59%	0.587	29%	0.285	S	S	*	.	S	Bend	trans	-155.3	142.5	174.4	0	0	0	0	0	111.3	G426 L448	G426-A446 CarbonylContact O-C 3.32Å; A446-L448 VanDerWaalsContact C-N 3.32Å; A446-L448 PolarHBondContact O-N 3.17Å
447	G	91.6	Very high	89.7	Confident	41 Å²	41	40.5 Å²	40.5	42%	0.423	25%	0.253	S	S	.	.			trans	67.7	28	177.7	0	0	0	0	0	114.3	G426 N449	G426-G447 PolarHBondContact O-N 2.83Å; G447-N449 PolarHBondContact O-N 3.13Å
448	L	94.3	Very high	90.4	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	23%	0.231	C	C	.	.			trans	-74.1	13	-174	-54.6	171.5	0	0	0	114.6	F398 L423 G426 L428 A446 H454 V469	F398-L448 HydrophobicContact CZ-CB 3.98Å; F398-L448 HydrophobicContact CZ-CD1 4.33Å; L423-L448 HydrophobicContact CD1-CB 4.08Å; L423-L448 HydrophobicContact CD1-CD1 4.4Å; G426-L448 WeakPolarHBondContact O-CG 3.39Å; G426-L448 PolarHBondContact O-N 3.3Å; L428-L448 HydrophobicContact CB-CD1 4.32Å; L428-L448 HydrophobicContact CD1-CD1 4.18Å; L428-L448 HydrophobicContact CG-CD1 3.64Å; A446-L448 VanDerWaalsContact C-N 3.32Å; A446-L448 PolarHBondContact O-N 3.17Å; L448-H454 WeakPolarHBondContact CA-NE2 3.48Å; L448-H454 PolarHBondContact O-CD2 2.82Å; L448-V469 HydrophobicContact CD1-CG1 4Å; L448-V469 HydrophobicContact CD2-CG1 3.69Å
449	N	93.8	Very high	90.9	Very high	32 Å²	32	31.9 Å²	31.9	17%	0.171	20%	0.204	C	C	.	.			trans	-113	37.9	179.5	63.6	-85.1	0	0	0	110.6	T400 N402 L423 G426 G447	T400-N449 CarbonylContact O-C 3.59Å; T400-N449 VanDerWaalsContact O-CA 3.27Å; T400-N449 WeakPolarHBondContact O-CA 3.47Å; N402-N449 VanDerWaalsContact O-CB 3.27Å; N402-N449 WeakPolarHBondContact O-CB 3.45Å; L423-N449 HydrophobicContact CD2-CB 4.5Å; G426-N449 WeakPolarHBondContact CA-OD1 3.41Å; G447-N449 PolarHBondContact O-N 3.13Å
450	D	91.8	Very high	91.1	Very high	52 Å²	52	29.2 Å²	29.2	28%	0.278	19%	0.187	S	C	.	.	S	Bend	trans	-100.5	9.6	-174.4	69.5	-0.8	0	0	0	113.2	W401 Q452 H454	W401-D450 WeakPolarHBondContact CH2-O 3.44Å; W401-D450 WeakPolarHBondContact CZ3-O 3.38Å; D450-Q452 PolarHBondContact O-N 2.84Å; D450-Q452 VanDerWaalsContact OD1-CB 3.24Å; D450-Q452 WeakPolarHBondContact OD1-CB 3.4Å; D450-Q452 PolarHBondContact OD1-N 2.74Å; D450-Q452 PolarHBondContact OD2-NE2 3.27Å; D450-H454 IonicContact OD1-CE1 3.99Å; D450-H454 IonicContact OD1-NE2 2.85Å; D450-H454 PolarHBondContact OD1-NE2 2.88Å; D450-H454 IonicContact OD2-CE1 3.85Å; D450-H454 IonicContact OD2-NE2 3.34Å
451	G	92.2	Very high	90.8	Very high	2 Å²	2	31 Å²	31	2%	0.021	20%	0.196	C	C	.	.	S	Bend	trans	75.4	-2.6	-178.2	0	0	0	0	0	114.8	L266 R399 T400	L266-G451 WeakPolarHBondContact CD2-O 3.4Å; R399-G451 WeakPolarHBondContact CD-O 3.31Å; T400-G451 PolarHBondContact O-N 2.75Å
452	Q	92.4	Very high	90.1	Very high	30 Å²	30	36.4 Å²	36.4	14%	0.14	21%	0.212	C	C	.	.	S	Bend	trans	-84.8	158	177.5	-59.9	-173.1	78.7	0	0	112.1	K238 R399 D450 H454	K238-Q452 HydrophobicContact CB-CG 4.32Å; R399-Q452 WeakPolarHBondContact CA-O 3.32Å; R399-Q452 WeakPolarHBondContact CB-O 3.32Å; D450-Q452 PolarHBondContact O-N 2.84Å; D450-Q452 VanDerWaalsContact OD1-CB 3.24Å; D450-Q452 WeakPolarHBondContact OD1-CB 3.4Å; D450-Q452 PolarHBondContact OD1-N 2.74Å; D450-Q452 PolarHBondContact OD2-NE2 3.27Å; Q452-H454 PolarHBondContact O-CD2 3.41Å; Q452-H454 PolarHBondContact O-N 3.34Å
453	W	93	Very high	89.3	Confident	34 Å²	34	38.1 Å²	38.1	13%	0.129	22%	0.224	C	C	.	.			trans	-73.4	119	171.7	-73.5	106.9	0	0	0	111	P371 Q397 R399 C513 R515 C545	P371-W453 HydrophobicContact CB-CH2 4.45Å; Q397-W453 HydrophobicContact CB-CE3 3.89Å; Q397-W453 HydrophobicContact CB-CZ3 4.37Å; R399-W453 HydrophobicContact CB-CD2 4.26Å; R399-W453 HydrophobicContact CB-CE3 4.15Å; R399-W453 HydrophobicContact CG-CD2 3.99Å; R399-W453 HydrophobicContact CG-CE3 4Å; R399-W453 HydrophobicContact CG-CH2 4.16Å; R399-W453 HydrophobicContact CG-CZ2 4.12Å; R399-W453 HydrophobicContact CG-CZ3 4.08Å; W453-C513 HydrophobicContact CH2-CB 3.58Å; W453-C513 HydrophobicContact CZ2-CB 4.28Å; W453-C513 HydrophobicContact CZ3-CB 4.18Å; W453-R515 HydrophobicContact CE3-CG 4.07Å; W453-R515 HydrophobicContact CH2-CB 4.15Å; W453-R515 HydrophobicContact CH2-CG 3.78Å; W453-R515 HydrophobicContact CZ2-CG 4.35Å; W453-R515 HydrophobicContact CZ3-CB 4.29Å; W453-R515 HydrophobicContact CZ3-CG 3.64Å; W453-C545 HydrophobicContact CZ2-CB 4.47Å
454	H	94.4	Very high	88.8	Confident	10 Å²	10	37.2 Å²	37.2	5%	0.046	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.1	173.3	-60.5	-68.8	0	0	0	110.5	Q397 F398 L448 D450 Q452 D470	Q397-H454 CarbonylContact C-O 3.51Å; Q397-H454 WeakPolarHBondContact CA-O 3.49Å; F398-H454 HydrophobicContact CD1-CB 4.17Å; F398-H454 HydrophobicContact CE1-CB 3.78Å; F398-H454 HydrophobicContact CZ-CB 4.24Å; F398-H454 PolarHBondContact N-O 3Å; F398-H454 PolarHBondContact O-N 2.63Å; L448-H454 WeakPolarHBondContact CA-NE2 3.48Å; L448-H454 PolarHBondContact O-CD2 2.82Å; D450-H454 IonicContact OD1-CE1 3.99Å; D450-H454 IonicContact OD1-NE2 2.85Å; D450-H454 PolarHBondContact OD1-NE2 2.88Å; D450-H454 IonicContact OD2-CE1 3.85Å; D450-H454 IonicContact OD2-NE2 3.34Å; Q452-H454 PolarHBondContact O-CD2 3.41Å; Q452-H454 PolarHBondContact O-N 3.34Å; H454-D470 VanDerWaalsContact CA-OD1 3.26Å; H454-D470 WeakPolarHBondContact CA-OD1 3.49Å; H454-D470 IonicContact CE1-OD2 2.99Å; H454-D470 IonicContact CG-OD2 3.5Å; H454-D470 IonicContact ND1-OD2 3.58Å; H454-D470 PolarHBondContact ND1-OD2 3Å
455	S	94.8	Very high	88.4	Confident	53 Å²	53	36.9 Å²	36.9	37%	0.371	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.3	176	-170.1	0	0	0	0	110.6	V469 D470	S455-V469 VanDerWaalsContact O-CA 3.31Å; S455-V469 WeakPolarHBondContact O-CA 3.22Å; S455-D470 PolarHBondContact N-OD1 2.89Å; S455-D470 PolarHBondContact O-N 3.34Å; S455-D470 VanDerWaalsContact O-N 3.09Å
456	V	95.4	Very high	88.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.1	-179.2	-176	0	0	0	0	109.4	T395 F396 F398 L421 L428 V468	T395-V456 CarbonylContact C-O 3.58Å; T395-V456 VanDerWaalsContact CA-O 3.24Å; T395-V456 WeakPolarHBondContact CA-O 3.33Å; F396-V456 HydrophobicContact CD2-CB 4.45Å; F396-V456 HydrophobicContact CE1-CB 4.45Å; F396-V456 HydrophobicContact CE1-CG1 4.36Å; F396-V456 HydrophobicContact CE2-CB 4.1Å; F396-V456 HydrophobicContact CE2-CG2 4.2Å; F396-V456 HydrophobicContact CZ-CB 4.1Å; F396-V456 HydrophobicContact CZ-CG1 4.11Å; F396-V456 PolarHBondContact N-O 2.79Å; F396-V456 PolarHBondContact O-N 3.25Å; F398-V456 HydrophobicContact CD1-CG2 3.45Å; F398-V456 VanDerWaalsContact CD1-CG2 3.45Å; F398-V456 HydrophobicContact CE1-CG2 3.31Å; L421-V456 HydrophobicContact CD2-CG1 4.16Å; L428-V456 HydrophobicContact CD1-CB 4.39Å; L428-V456 HydrophobicContact CD1-CG1 3.88Å; L428-V456 HydrophobicContact CD1-CG2 3.52Å; V456-V468 WeakPolarHBondContact CA-O 3.31Å
457	S	93.3	Very high	88.2	Confident	40 Å²	40	34 Å²	34	28%	0.28	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.5	169.3	178.2	0	0	0	0	109	T395 V467 V468	T395-S457 WeakPolarHBondContact CG2-OG 3.48Å; S457-V467 WeakPolarHBondContact O-CA 3.24Å; S457-V468 PolarHBondContact N-O 2.78Å; S457-V468 PolarHBondContact O-N 2.86Å
458	F	88.6	Confident	88.2	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.9	175.1	152.8	-115.5	0	0	0	108.8	V392 S393 V394 F419 L430 A460 M465 N466 V467	V392-F458 HydrophobicContact CB-CE1 4.34Å; V392-F458 HydrophobicContact CB-CZ 4.48Å; V392-F458 HydrophobicContact CG1-CD1 4.44Å; V392-F458 HydrophobicContact CG1-CE1 3.59Å; V392-F458 HydrophobicContact CG1-CZ 4.19Å; S393-F458 WeakPolarHBondContact CA-O 3.44Å; V394-F458 PolarHBondContact N-O 3.17Å; V394-F458 PolarHBondContact O-N 2.89Å; F419-F458 AromaticContact CD2-CE1 3.88Å; F419-F458 HydrophobicContact CD2-CE1 3.88Å; F419-F458 HydrophobicContact CD2-CZ 4.26Å; F419-F458 HydrophobicContact CE2-CD1 4.41Å; F419-F458 AromaticContact CE2-CE1 3.72Å; F419-F458 HydrophobicContact CE2-CE1 3.72Å; F419-F458 HydrophobicContact CG-CE1 4.49Å; F419-F458 HydrophobicContact CZ-CE1 4.21Å; L430-F458 HydrophobicContact CD1-CD2 4.37Å; L430-F458 HydrophobicContact CD1-CE2 4.24Å; L430-F458 HydrophobicContact CD1-CZ 4.37Å; L430-F458 HydrophobicContact CD2-CD2 3.23Å; L430-F458 HydrophobicContact CD2-CE2 3.25Å; L430-F458 HydrophobicContact CD2-CG 4.15Å; L430-F458 HydrophobicContact CD2-CZ 4.13Å; L430-F458 HydrophobicContact CG-CD2 4.44Å; L430-F458 HydrophobicContact CG-CE2 4.35Å; F458-A460 HydrophobicContact CE2-CB 3.67Å; F458-A460 HydrophobicContact CZ-CB 3.59Å; F458-M465 HydrophobicContact CE2-CG 3.95Å; F458-M465 HydrophobicContact CE2-SD 4.41Å; F458-N466 WeakPolarHBondContact CD2-O 3.1Å; F458-V467 HydrophobicContact CD2-CG2 4.37Å
459	S	87.5	Confident	88.1	Confident	15 Å²	15	33.6 Å²	33.6	11%	0.105	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.2	164.5	80.1	0	0	0	0	113	V392 N466	V392-S459 CarbonylContact O-C 3.46Å; V392-S459 WeakPolarHBondContact O-CA 3.1Å; S459-N466 VanDerWaalsContact CA-OD1 3.32Å; S459-N466 WeakPolarHBondContact CA-OD1 3.44Å; S459-N466 VanDerWaalsContact CB-OD1 3.32Å; S459-N466 WeakPolarHBondContact CB-OD1 3.38Å; S459-N466 PolarHBondContact N-O 2.88Å; S459-N466 VanDerWaalsContact N-O 3.14Å; S459-N466 PolarHBondContact N-OD1 2.67Å; S459-N466 PolarHBondContact O-N 3.17Å; S459-N466 PolarHBondContact O-OD1 2.86Å; S459-N466 PolarHBondContact OG-ND2 3Å; S459-N466 PolarHBondContact OG-OD1 2.84Å
460	A	83.6	Confident	87.7	Confident	2 Å²	2	35.4 Å²	35.4	2%	0.017	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.7	172.3	0	0	0	0	0	109.6	K391 V392 F458 I483	K391-A460 WeakPolarHBondContact CA-O 3.42Å; V392-A460 HydrophobicContact CB-CB 4.46Å; V392-A460 PolarHBondContact N-O 2.8Å; V392-A460 PolarHBondContact O-N 3.34Å; F458-A460 HydrophobicContact CE2-CB 3.67Å; F458-A460 HydrophobicContact CZ-CB 3.59Å; A460-I483 HydrophobicContact CB-CD1 3.92Å; A460-I483 HydrophobicContact CB-CG2 4.14Å
461	K	79.3	Confident	87.1	Confident	90 Å²	90	40.3 Å²	40.3	39%	0.391	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	169.2	175.4	-66.2	-178.2	-179.3	177.5	0	109.5	K391 S463 H464	K391-K461 HydrophobicContact CB-CG 4.17Å; K461-S463 PolarHBondContact O-N 3.5Å; K461-H464 PolarHBondContact N-O 3.22Å; K461-H464 PolarHBondContact O-N 2.84Å; K461-H464 VanDerWaalsContact O-O 3.12Å
462	W	71.9	Confident	86.5	Confident	174 Å²	174	45.7 Å²	45.7	66%	0.659	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-25.4	-177.8	70.9	-82.7	0	0	0	116.1	V481	W462-V481 WeakPolarHBondContact CA-O 3.46Å; W462-V481 PolarHBondContact O-N 2.93Å
463	S	71.8	Confident	86	Confident	42 Å²	42	48.6 Å²	48.6	29%	0.294	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-19.4	-174.9	62.1	0	0	0	0	115.5	K461 L478	K461-S463 PolarHBondContact O-N 3.5Å; S463-L478 PolarHBondContact O-N 2.84Å
464	H	81.3	Confident	85.4	Confident	55 Å²	55	48 Å²	48	26%	0.255	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	157.1	-176.8	61	-77.1	0	0	0	112.4	K461 V475 Q476	K461-H464 PolarHBondContact N-O 3.22Å; K461-H464 PolarHBondContact O-N 2.84Å; K461-H464 VanDerWaalsContact O-O 3.12Å; H464-V475 HydrophobicContact CB-CG1 4.19Å; H464-Q476 WeakPolarHBondContact CA-O 3.46Å
465	M	84.6	Confident	84.5	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.8	172.3	-171.2	164	75.6	0	0	108.4	L430 L432 V442 F458 V475 Q476 L478	L430-M465 HydrophobicContact CB-CE 4.48Å; L430-M465 HydrophobicContact CD2-CE 3.79Å; L430-M465 HydrophobicContact CD2-CG 3.45Å; L430-M465 VanDerWaalsContact CD2-CG 3.45Å; L430-M465 HydrophobicContact CD2-SD 3.31Å; L430-M465 WeakPolarHBondContact CD2-SD 3.36Å; L430-M465 HydrophobicContact CG-CE 3.92Å; L430-M465 HydrophobicContact CG-SD 3.77Å; L432-M465 HydrophobicContact CB-SD 4.19Å; V442-M465 HydrophobicContact CB-CE 3.89Å; V442-M465 HydrophobicContact CG2-CB 4.37Å; V442-M465 HydrophobicContact CG2-CE 3.29Å; V442-M465 HydrophobicContact CG2-CG 4.28Å; F458-M465 HydrophobicContact CE2-CG 3.95Å; F458-M465 HydrophobicContact CE2-SD 4.41Å; M465-V475 WeakPolarHBondContact O-CA 3.28Å; M465-Q476 PolarHBondContact N-O 3.19Å; M465-Q476 PolarHBondContact O-N 2.8Å; M465-L478 HydrophobicContact CB-CD1 4.21Å; M465-L478 HydrophobicContact CB-CG 4.4Å
466	N	86.4	Confident	83.5	Confident	32 Å²	32	53 Å²	53	17%	0.171	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146	176.4	72.2	4.1	0	0	0	111.7	F458 S459 A474 V475	F458-N466 WeakPolarHBondContact CD2-O 3.1Å; S459-N466 VanDerWaalsContact CA-OD1 3.32Å; S459-N466 WeakPolarHBondContact CA-OD1 3.44Å; S459-N466 VanDerWaalsContact CB-OD1 3.32Å; S459-N466 WeakPolarHBondContact CB-OD1 3.38Å; S459-N466 PolarHBondContact N-O 2.88Å; S459-N466 VanDerWaalsContact N-O 3.14Å; S459-N466 PolarHBondContact N-OD1 2.67Å; S459-N466 PolarHBondContact O-N 3.17Å; S459-N466 PolarHBondContact O-OD1 2.86Å; S459-N466 PolarHBondContact OG-ND2 3Å; S459-N466 PolarHBondContact OG-OD1 2.84Å; N466-A474 WeakPolarHBondContact CA-O 3.46Å; N466-V475 HydrophobicContact CB-CG2 4.16Å
467	V	90.1	Very high	82.4	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.1	170.2	-179.1	0	0	0	0	106.9	L430 V442 A444 S457 F458 V469 A474	L430-V467 HydrophobicContact CB-CG2 3.86Å; L430-V467 HydrophobicContact CD2-CG2 3.46Å; L430-V467 VanDerWaalsContact CD2-CG2 3.46Å; L430-V467 HydrophobicContact CG-CG2 4.34Å; V442-V467 HydrophobicContact CB-CG2 4.35Å; V442-V467 HydrophobicContact CG1-CB 4.08Å; V442-V467 HydrophobicContact CG1-CG2 3.85Å; A444-V467 HydrophobicContact CB-CB 4.2Å; A444-V467 HydrophobicContact CB-CG1 3.91Å; S457-V467 WeakPolarHBondContact O-CA 3.24Å; F458-V467 HydrophobicContact CD2-CG2 4.37Å; V467-V469 HydrophobicContact CG1-CG2 4.14Å; V467-A474 PolarHBondContact N-O 2.95Å; V467-A474 PolarHBondContact O-N 3.35Å
468	V	91.8	Very high	80.9	Confident	36 Å²	36	56 Å²	56	22%	0.218	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.4	177.2	-174.1	0	0	0	0	108.6	V456 S457 D472 T473	V456-V468 WeakPolarHBondContact CA-O 3.31Å; S457-V468 PolarHBondContact N-O 2.78Å; S457-V468 PolarHBondContact O-N 2.86Å; V468-D472 CarbonylContact C-O 3.26Å; V468-D472 VanDerWaalsContact CA-O 3.27Å; V468-D472 WeakPolarHBondContact CA-O 3.45Å; V468-T473 HydrophobicContact CG2-CG2 4.05Å
469	V	92.3	Very high	79.5	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.2	178.8	-172.6	0	0	0	0	109.1	L428 A444 L448 S455 V467 D471 D472	L428-V469 HydrophobicContact CD1-CG2 3.78Å; A444-V469 HydrophobicContact CB-CG2 3.83Å; L448-V469 HydrophobicContact CD1-CG1 4Å; L448-V469 HydrophobicContact CD2-CG1 3.69Å; S455-V469 VanDerWaalsContact O-CA 3.31Å; S455-V469 WeakPolarHBondContact O-CA 3.22Å; V467-V469 HydrophobicContact CG1-CG2 4.14Å; V469-D471 PolarHBondContact O-N 3.34Å; V469-D471 VanDerWaalsContact O-N 3.07Å; V469-D472 PolarHBondContact N-O 2.96Å; V469-D472 WeakPolarHBondContact O-CB 3.46Å; V469-D472 PolarHBondContact O-N 3.28Å
470	D	86.1	Confident	78	Confident	69 Å²	69	64.6 Å²	64.6	37%	0.369	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.9	43.1	177.1	-56.8	-27.6	0	0	0	115.1	H454 S455	H454-D470 VanDerWaalsContact CA-OD1 3.26Å; H454-D470 WeakPolarHBondContact CA-OD1 3.49Å; H454-D470 IonicContact CE1-OD2 2.99Å; H454-D470 IonicContact CG-OD2 3.5Å; H454-D470 IonicContact ND1-OD2 3.58Å; H454-D470 PolarHBondContact ND1-OD2 3Å; S455-D470 PolarHBondContact N-OD1 2.89Å; S455-D470 PolarHBondContact O-N 3.34Å; S455-D470 VanDerWaalsContact O-N 3.09Å
471	D	78.8	Confident	76.9	Confident	156 Å²	156	66 Å²	66	83%	0.834	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-12.1	-176.5	-48.4	-42.5	0	0	0	116.5	V469	V469-D471 PolarHBondContact O-N 3.34Å; V469-D471 VanDerWaalsContact O-N 3.07Å
472	D	80.3	Confident	76.1	Confident	114 Å²	114	68 Å²	68	61%	0.61	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.6	172	-81	-20.4	0	0	0	111.6	V468 V469	V468-D472 CarbonylContact C-O 3.26Å; V468-D472 VanDerWaalsContact CA-O 3.27Å; V468-D472 WeakPolarHBondContact CA-O 3.45Å; V469-D472 PolarHBondContact N-O 2.96Å; V469-D472 WeakPolarHBondContact O-CB 3.46Å; V469-D472 PolarHBondContact O-N 3.28Å
473	T	81.1	Confident	76	Confident	92 Å²	92	59.9 Å²	59.9	56%	0.564	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.7	-177.7	-58.8	0	0	0	0	112.1	V468 V475	V468-T473 HydrophobicContact CG2-CG2 4.05Å; T473-V475 HydrophobicContact CG2-CG2 3.82Å
474	A	79.8	Confident	76	Confident	22 Å²	22	59.3 Å²	59.3	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.9	169.6	0	0	0	0	0	110.6	V442 A444 N466 V467	V442-A474 HydrophobicContact CG1-CB 3.82Å; A444-A474 HydrophobicContact CB-CB 3.81Å; N466-A474 WeakPolarHBondContact CA-O 3.46Å; V467-A474 PolarHBondContact N-O 2.95Å; V467-A474 PolarHBondContact O-N 3.35Å
475	V	76.1	Confident	75.8	Confident	84 Å²	84	56.8 Å²	56.8	51%	0.509	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.3	-178.1	-173.5	0	0	0	0	110.3	H464 M465 N466 T473	H464-V475 HydrophobicContact CB-CG1 4.19Å; M465-V475 WeakPolarHBondContact O-CA 3.28Å; N466-V475 HydrophobicContact CB-CG2 4.16Å; T473-V475 HydrophobicContact CG2-CG2 3.82Å
476	Q	74.4	Confident	75.4	Confident	83 Å²	83	56.9 Å²	56.9	39%	0.388	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.6	169.8	-178.3	69.6	37.1	0	0	109.9	V442 H464 M465	V442-Q476 HydrophobicContact CG2-CB 3.19Å; V442-Q476 HydrophobicContact CG2-CG 4.19Å; H464-Q476 WeakPolarHBondContact CA-O 3.46Å; M465-Q476 PolarHBondContact N-O 3.19Å; M465-Q476 PolarHBondContact O-N 2.8Å
477	P	70.9	Confident	75.1	Confident	92 Å²	92	60.3 Å²	60.3	60%	0.597	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	143.3	173.8	26	-31.8	0	0	0	111.2
478	L	62.6	Low	75	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.063	37%	0.367	C	S	.	.			trans	-111.7	131.6	176.7	-63.9	174.1	0	0	0	109.7	L432 S463 M465 A480 I483	L432-L478 HydrophobicContact CD2-CD2 4.26Å; S463-L478 PolarHBondContact O-N 2.84Å; M465-L478 HydrophobicContact CB-CD1 4.21Å; M465-L478 HydrophobicContact CB-CG 4.4Å; L478-A480 PolarHBondContact O-N 2.99Å; L478-I483 HydrophobicContact CD1-CD1 3.65Å
479	V	59.3	Low	74.9	Confident	113 Å²	113	61.1 Å²	61.1	69%	0.685	36%	0.357	S	S	*	.	S	Bend	trans	-63.8	120.1	162.9	-177.7	0	0	0	0	107.6	V481	V479-V481 WeakPolarHBondContact O-CG2 2.93Å; V479-V481 PolarHBondContact O-N 3.08Å; V479-V481 VanDerWaalsContact O-N 3.1Å
480	A	55	Low	74.9	Confident	82 Å²	82	63.2 Å²	63.2	68%	0.678	37%	0.365	S	S	*	.	S	Bend	trans	-23.8	101.2	-171.9	0	0	0	0	0	115.1	L478	L478-A480 PolarHBondContact O-N 2.99Å
481	V	61.3	Low	75.3	Confident	32 Å²	32	59.9 Å²	59.9	19%	0.194	35%	0.347	C	S	.	.			trans	-126.4	136.6	173.3	-164.2	0	0	0	0	110	W462 V479 I483	W462-V481 WeakPolarHBondContact CA-O 3.46Å; W462-V481 PolarHBondContact O-N 2.93Å; V479-V481 WeakPolarHBondContact O-CG2 2.93Å; V479-V481 PolarHBondContact O-N 3.08Å; V479-V481 VanDerWaalsContact O-N 3.1Å; V481-I483 PolarHBondContact O-N 3.27Å
482	L	63.2	Low	75.8	Confident	131 Å²	131	52.5 Å²	52.5	69%	0.686	31%	0.307	S	S	*	.			trans	-66.4	124.8	167.3	-87	112.3	0	0	0	109.6
483	I	68.3	Low	75.9	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	28%	0.281	C	S	.	.			trans	-120.5	96.5	176.3	-62.7	178.6	0	0	0	106.5	D390 V392 L412 L432 A460 L478 V481	D390-I483 CarbonylContact C-O 3.5Å; V392-I483 HydrophobicContact CG2-CG2 3.97Å; L412-I483 HydrophobicContact CD2-CG2 3.87Å; L432-I483 HydrophobicContact CD2-CD1 4.43Å; A460-I483 HydrophobicContact CB-CD1 3.92Å; A460-I483 HydrophobicContact CB-CG2 4.14Å; L478-I483 HydrophobicContact CD1-CD1 3.65Å; V481-I483 PolarHBondContact O-N 3.27Å
484	D	73.2	Confident	75.5	Confident	30 Å²	30	44.8 Å²	44.8	16%	0.16	27%	0.267	C	S	.	.			trans	-101.6	123.7	179	-69.1	-6.7	0	0	0	108.8	Q413 G486	Q413-D484 HydrophobicContact CB-CB 3.63Å; Q413-D484 HydrophobicContact CG-CB 3.84Å; Q413-D484 PolarHBondContact N-O 3.01Å; D484-G486 PolarHBondContact O-N 3.39Å
485	S	76.2	Confident	75	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.014	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	122.5	179.7	166.8	0	0	0	0	112.3	N386 E389 Q413 Y489	N386-S485 VanDerWaalsContact O-CB 3.24Å; N386-S485 WeakPolarHBondContact O-CB 3.48Å; N386-S485 PolarHBondContact O-OG 3.05Å; E389-S485 PolarHBondContact O-N 3.2Å; Q413-S485 WeakPolarHBondContact CG-O 2.98Å; Q413-S485 PolarHBondContact NE2-O 2.55Å; Q413-S485 VanDerWaalsContact NE2-O 3.07Å; S485-Y489 PolarHBondContact OG-OH 2.94Å
486	G	76.6	Confident	74.1	Confident	4 Å²	4	46.6 Å²	46.6	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	179.3	177.7	0	0	0	0	0	114.8	E411 D484	E411-G486 VanDerWaalsContact O-CA 3.24Å; E411-G486 WeakPolarHBondContact O-CA 3Å; E411-G486 PolarHBondContact O-N 2.87Å; D484-G486 PolarHBondContact O-N 3.39Å
487	D	80.3	Confident	72.9	Confident	103 Å²	103	50.3 Å²	50.3	55%	0.551	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	-22.4	-169	-60.2	-22.8	0	0	0	113.7	G385 Q413	G385-D487 PolarHBondContact N-O 2.8Å; Q413-D487 PolarHBondContact NE2-OD1 2.97Å
488	T	87.3	Confident	72	Confident	52 Å²	52	47.2 Å²	47.2	32%	0.319	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.5	-174.7	-55.9	0	0	0	0	112.2	A382 L383 Y490	A382-T488 HydrophobicContact CB-CG2 4.19Å; L383-T488 WeakPolarHBondContact O-CA 3.37Å; T488-Y490 HydrophobicContact CG2-CD2 4.21Å; T488-Y490 HydrophobicContact CG2-CE1 4.38Å; T488-Y490 HydrophobicContact CG2-CE2 3.68Å
489	Y	90.6	Very high	71.1	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.6	173.4	-62.8	-71.9	0	0	0	110.5	A382 L383 V392 L408 F419 S485 I519	A382-Y489 WeakPolarHBondContact CA-O 3.33Å; L383-Y489 PolarHBondContact N-O 2.83Å; L383-Y489 PolarHBondContact O-N 2.86Å; V392-Y489 HydrophobicContact CG1-CE1 4.14Å; L408-Y489 HydrophobicContact CD1-CD1 4.48Å; F419-Y489 HydrophobicContact CE1-CD1 4.33Å; F419-Y489 AromaticContact CE1-CE1 3.83Å; F419-Y489 HydrophobicContact CE1-CE1 3.83Å; F419-Y489 AromaticContact CZ-CD1 3.7Å; F419-Y489 HydrophobicContact CZ-CD1 3.7Å; F419-Y489 AromaticContact CZ-CE1 3.48Å; F419-Y489 HydrophobicContact CZ-CE1 3.48Å; F419-Y489 VanDerWaalsContact CZ-CE1 3.48Å; S485-Y489 PolarHBondContact OG-OH 2.94Å; Y489-I519 HydrophobicContact CD2-CD1 4.04Å; Y489-I519 HydrophobicContact CD2-CG2 3.81Å; Y489-I519 HydrophobicContact CE2-CG2 3.46Å; Y489-I519 VanDerWaalsContact CE2-CG2 3.46Å
490	Y	91.5	Very high	70.8	Confident	47 Å²	47	48.9 Å²	48.9	18%	0.184	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.9	178.6	-64.9	-92.3	0	0	0	110.4	Y380 L381 A382 L408 F409 T488 G493 L495	Y380-Y490 HydrophobicContact CD2-CD1 4.31Å; L381-Y490 CarbonylContact O-C 3.56Å; L381-Y490 WeakPolarHBondContact O-CA 3.48Å; A382-Y490 HydrophobicContact CB-CD1 3.79Å; A382-Y490 HydrophobicContact CB-CE1 3.69Å; L408-Y490 CarbonylContact C-O 3.57Å; L408-Y490 VanDerWaalsContact CA-O 3.31Å; L408-Y490 WeakPolarHBondContact CA-O 3.47Å; F409-Y490 AromaticContact CD1-CD2 3.81Å; F409-Y490 HydrophobicContact CD1-CD2 3.81Å; F409-Y490 HydrophobicContact CD1-CG 4.43Å; F409-Y490 HydrophobicContact CE1-CD2 4.31Å; F409-Y490 PolarHBondContact N-O 3.32Å; F409-Y490 PolarHBondContact O-N 2.92Å; T488-Y490 HydrophobicContact CG2-CD2 4.21Å; T488-Y490 HydrophobicContact CG2-CE1 4.38Å; T488-Y490 HydrophobicContact CG2-CE2 3.68Å; Y490-G493 VanDerWaalsContact CB-O 3.31Å; Y490-G493 WeakPolarHBondContact CB-O 3.44Å; Y490-L495 HydrophobicContact CE1-CD1 3.62Å; Y490-L495 HydrophobicContact CE1-CG 4.01Å
491	F	94.1	Very high	70.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	145.3	172.1	-61.6	-105	0	0	0	109.9	F374 Y380 L381 L383 V394 F396 L407 L408 G493 L514 I517 I519	F374-F491 HydrophobicContact CE1-CB 4.47Å; F374-F491 WeakPolarHBondContact CE1-O 3.23Å; F374-F491 HydrophobicContact CZ-CB 4.08Å; Y380-F491 CarbonylContact C-O 3.57Å; Y380-F491 VanDerWaalsContact CA-O 3.24Å; Y380-F491 WeakPolarHBondContact CA-O 3.38Å; L381-F491 HydrophobicContact CB-CB 4.18Å; L381-F491 PolarHBondContact N-O 3.39Å; L381-F491 PolarHBondContact O-N 3.46Å; L383-F491 HydrophobicContact CD1-CD2 4.1Å; L383-F491 HydrophobicContact CD1-CE2 3.77Å; V394-F491 HydrophobicContact CG1-CE1 4.03Å; V394-F491 HydrophobicContact CG1-CZ 3.78Å; F396-F491 AromaticContact CD1-CE1 3.9Å; F396-F491 HydrophobicContact CD1-CE1 3.9Å; F396-F491 HydrophobicContact CE1-CE1 4.16Å; F396-F491 HydrophobicContact CG-CE1 4.5Å; L407-F491 CarbonylContact O-C 3.56Å; L407-F491 WeakPolarHBondContact O-CA 3.34Å; L408-F491 HydrophobicContact CB-CD1 4.5Å; L408-F491 HydrophobicContact CD1-CD1 4.01Å; L408-F491 HydrophobicContact CD1-CD2 4.06Å; L408-F491 HydrophobicContact CD1-CE1 3.83Å; L408-F491 HydrophobicContact CD1-CE2 3.85Å; L408-F491 HydrophobicContact CD1-CG 4.13Å; L408-F491 HydrophobicContact CD1-CZ 3.75Å; F491-G493 PolarHBondContact O-N 2.77Å; F491-G493 VanDerWaalsContact O-N 3.1Å; F491-L514 HydrophobicContact CB-CD1 3.98Å; F491-L514 HydrophobicContact CD1-CD1 3.85Å; F491-L514 HydrophobicContact CG-CD1 4.28Å; F491-I517 HydrophobicContact CE1-CG2 4.22Å; F491-I517 HydrophobicContact CE2-CG2 4.43Å; F491-I517 HydrophobicContact CZ-CG2 3.84Å; F491-I519 HydrophobicContact CE2-CD1 4.29Å
492	G	89.6	Confident	70.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	82.4	-29.9	172.8	0	0	0	0	0	116.7	S379 H406 L407 G509 F510	S379-G492 CarbonylContact O-C 3.56Å; S379-G492 VanDerWaalsContact O-C 3.25Å; H406-G492 CarbonylContact O-C 3.51Å; H406-G492 VanDerWaalsContact O-C 3.25Å; H406-G492 WeakPolarHBondContact O-CA 3.4Å; L407-G492 PolarHBondContact O-N 3.29Å; G492-G509 CarbonylContact O-C 3.56Å; G492-G509 WeakPolarHBondContact O-CA 3.13Å; G492-F510 PolarHBondContact O-N 3.06Å
493	G	82.9	Confident	70.4	Confident	6 Å²	6	42.9 Å²	42.9	6%	0.062	28%	0.279	C	S	.	.			trans	-172.3	-174.4	-177.8	0	0	0	0	0	110.8	S379 Y490 F491	S379-G493 PolarHBondContact O-N 3.48Å; Y490-G493 VanDerWaalsContact CB-O 3.31Å; Y490-G493 WeakPolarHBondContact CB-O 3.44Å; F491-G493 PolarHBondContact O-N 2.77Å; F491-G493 VanDerWaalsContact O-N 3.1Å
494	C	72.8	Confident	70	Confident	38 Å²	38	50.8 Å²	50.8	26%	0.257	31%	0.314	S	S	.	.			trans	-142.7	156.5	178.3	65.3	0	0	0	0	111.7	F409 C503	F409-C494 HydrophobicContact CD1-CB 4.21Å; C494-C503 HydrophobicContact CB-CB 3.91Å; C494-C503 WeakPolarHBondContact CB-SG 3.4Å; C494-C503 WeakPolarHBondContact SG-CB 3.49Å; C494-C503 PolarHBondContact SG-O 2.99Å; C494-C503 CovalentContact SG-SG 2.03Å; C494-C503 PolarHBondContact SG-SG 3.16Å
495	L	69.5	Low	69.3	Low	73 Å²	73	51.3 Å²	51.3	38%	0.382	32%	0.319	S	S	.	.			trans	-80.6	118.8	179.6	-72.9	166.7	0	0	0	110	Y380 Y490 N497 S498	Y380-L495 HydrophobicContact CE1-CD2 4.01Å; Y490-L495 HydrophobicContact CE1-CD1 3.62Å; Y490-L495 HydrophobicContact CE1-CG 4.01Å; L495-N497 PolarHBondContact O-N 2.82Å; L495-S498 PolarHBondContact O-N 3.36Å; L495-S498 PolarHBondContact O-OG 2.78Å
496	G	55.7	Low	68.6	Low	71 Å²	71	57.5 Å²	57.5	73%	0.732	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-0.5	-173.8	0	0	0	0	0	117.3
497	N	51.1	Low	68.1	Low	161 Å²	161	59.7 Å²	59.7	86%	0.861	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.1	176.7	-82.6	1.7	0	0	0	114	L495 S499	L495-N497 PolarHBondContact O-N 2.82Å; N497-S499 PolarHBondContact O-N 2.68Å
498	S	51	Low	67.9	Low	27 Å²	27	57 Å²	57	19%	0.189	37%	0.366	C	S	.	.			trans	-79.2	106.6	171.7	51.4	0	0	0	0	109.9	L495 G500	L495-S498 PolarHBondContact O-N 3.36Å; L495-S498 PolarHBondContact O-OG 2.78Å; S498-G500 PolarHBondContact O-N 3.41Å
499	S	44.4	Very low	67.9	Low	127 Å²	127	55 Å²	55	89%	0.888	36%	0.357	S	S	*	.			trans	-63.3	4.4	-179.2	-15.1	0	0	0	0	114.8	N497	N497-S499 PolarHBondContact O-N 2.68Å
500	G	52.2	Low	68	Low	33 Å²	33	55 Å²	55	34%	0.34	36%	0.357	S	S	.	.	S	Bend	trans	-79.3	130.6	176.8	0	0	0	0	0	111.8	S498 G502 C503	S498-G500 PolarHBondContact O-N 3.41Å; G500-G502 PolarHBondContact O-N 3.46Å; G500-C503 PolarHBondContact O-N 2.8Å
501	S	53.1	Low	68.2	Low	101 Å²	101	53.9 Å²	53.9	71%	0.706	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-9.2	-176.3	49.5	0	0	0	0	116
502	G	54.9	Low	68.2	Low	6 Å²	6	53.9 Å²	53.9	6%	0.062	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-29.3	-177.3	0	0	0	0	0	116	V420 G500	V420-G502 WeakPolarHBondContact CG2-O 3.38Å; G500-G502 PolarHBondContact O-N 3.46Å
503	C	62.9	Low	68.5	Low	13 Å²	13	53.9 Å²	53.9	9%	0.088	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.9	-178.4	158.5	0	0	0	0	112.9	F409 C494 G500 S505	F409-C503 HydrophobicContact CE1-CB 4.41Å; F409-C503 HydrophobicContact CE2-CB 4.12Å; F409-C503 HydrophobicContact CZ-CB 4.07Å; C494-C503 HydrophobicContact CB-CB 3.91Å; C494-C503 WeakPolarHBondContact CB-SG 3.4Å; C494-C503 WeakPolarHBondContact SG-CB 3.49Å; C494-C503 PolarHBondContact SG-O 2.99Å; C494-C503 CovalentContact SG-SG 2.03Å; C494-C503 PolarHBondContact SG-SG 3.16Å; G500-C503 PolarHBondContact O-N 2.8Å; C503-S505 VanDerWaalsContact C-N 3.25Å; C503-S505 PolarHBondContact O-N 3.34Å
504	K	59.3	Low	69.2	Low	170 Å²	170	53.6 Å²	53.6	74%	0.739	35%	0.35	S	S	*	.			trans	-80.3	69.6	172.9	-68.8	-176.7	179.4	178.8	0	110.9
505	S	59.5	Low	70.2	Confident	40 Å²	40	53.4 Å²	53.4	28%	0.28	34%	0.344	S	S	.	.			trans	-80.5	139.8	169.2	-173.8	0	0	0	0	110.3	C503 L507	C503-S505 VanDerWaalsContact C-N 3.25Å; C503-S505 PolarHBondContact O-N 3.34Å; S505-L507 PolarHBondContact O-N 3.21Å; S505-L507 WeakPolarHBondContact OG-CB 3.46Å; S505-L507 PolarHBondContact OG-N 2.91Å
506	P	60.5	Low	71.3	Confident	133 Å²	133	54.2 Å²	54.2	86%	0.864	35%	0.349	S	S	*	.	S	Bend	trans	-67.7	-13.2	167.8	28.4	-33.6	0	0	0	112.5
507	L	65.9	Low	73.2	Confident	49 Å²	49	51 Å²	51	26%	0.257	32%	0.315	S	S	.	.	S	Bend	trans	-85.4	133.9	176.9	-55.8	171.5	0	0	0	109.3	A404 F422 S505	A404-L507 HydrophobicContact CB-CD2 4.01Å; F422-L507 HydrophobicContact CD2-CD1 3.61Å; F422-L507 HydrophobicContact CE2-CD1 4.04Å; F422-L507 HydrophobicContact CG-CD1 4.37Å; S505-L507 PolarHBondContact O-N 3.21Å; S505-L507 WeakPolarHBondContact OG-CB 3.46Å; S505-L507 PolarHBondContact OG-N 2.91Å
508	G	77.2	Confident	75.2	Confident	46 Å²	46	45 Å²	45	47%	0.474	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-61.4	167.5	174.8	0	0	0	0	0	113.4	H406	H406-G508 PolarHBondContact N-O 2.81Å
509	G	87.6	Confident	77.2	Confident	12 Å²	12	44.1 Å²	44.1	12%	0.124	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-61	157.4	172.8	0	0	0	0	0	112.9	S377 G492	S377-G509 WeakPolarHBondContact O-CA 2.74Å; S377-G509 PolarHBondContact O-N 3.23Å; S377-G509 VanDerWaalsContact O-N 3.1Å; G492-G509 CarbonylContact O-C 3.56Å; G492-G509 WeakPolarHBondContact O-CA 3.13Å
510	F	93	Very high	79.2	Confident	1 Å²	1	38.5 Å²	38.5	0%	0.004	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-69.5	136.7	178.4	167.9	-95.3	0	0	0	111.6	F374 F398 T400 H406 L407 G492 L514	F374-F510 HydrophobicContact CB-CD1 4.16Å; F374-F510 VanDerWaalsContact CB-O 3.3Å; F374-F510 WeakPolarHBondContact CB-O 3.3Å; F374-F510 AromaticContact CD2-CD1 4Å; F374-F510 HydrophobicContact CD2-CD1 4Å; F374-F510 AromaticContact CD2-CE1 3.98Å; F374-F510 HydrophobicContact CD2-CE1 3.98Å; F374-F510 AromaticContact CG-CD1 3.98Å; F374-F510 HydrophobicContact CG-CD1 3.98Å; F374-F510 HydrophobicContact CG-CE1 4.38Å; F398-F510 HydrophobicContact CB-CZ 4.2Å; F398-F510 AromaticContact CD2-CE2 3.91Å; F398-F510 HydrophobicContact CD2-CE2 3.91Å; F398-F510 HydrophobicContact CD2-CZ 4.17Å; T400-F510 HydrophobicContact CG2-CE2 3.87Å; H406-F510 WeakPolarHBondContact O-CB 3.32Å; H406-F510 PolarHBondContact O-N 2.74Å; L407-F510 HydrophobicContact CD2-CB 4.41Å; L407-F510 HydrophobicContact CD2-CD1 4.1Å; L407-F510 HydrophobicContact CD2-CD2 3.41Å; L407-F510 VanDerWaalsContact CD2-CD2 3.41Å; L407-F510 HydrophobicContact CD2-CE1 4.16Å; L407-F510 HydrophobicContact CD2-CE2 3.48Å; L407-F510 VanDerWaalsContact CD2-CE2 3.48Å; L407-F510 HydrophobicContact CD2-CG 3.73Å; L407-F510 HydrophobicContact CD2-CZ 3.87Å; L407-F510 HydrophobicContact CG-CD2 3.97Å; L407-F510 HydrophobicContact CG-CE2 4.39Å; L407-F510 HydrophobicContact CG-CG 4.35Å; G492-F510 PolarHBondContact O-N 3.06Å; F510-L514 HydrophobicContact CE1-CD2 4.15Å; F510-L514 HydrophobicContact CE1-CG 4.21Å; F510-L514 HydrophobicContact CZ-CD2 4.38Å
511	Q	94.6	Very high	80.8	Confident	24 Å²	24	43.4 Å²	43.4	11%	0.112	26%	0.258	C	S	.	.			trans	-120.8	132.2	168.5	-66.1	166.4	-74.3	0	0	107.6	F374 L375 S376 T400 N402 W566	F374-Q511 WeakPolarHBondContact O-CA 3.45Å; L375-Q511 PolarHBondContact O-NE2 2.79Å; S376-Q511 VanDerWaalsContact C-CG 3.44Å; T400-Q511 WeakPolarHBondContact CB-O 3.37Å; T400-Q511 PolarHBondContact OG1-O 3.36Å; N402-Q511 PolarHBondContact ND2-OE1 2.98Å; Q511-W566 HydrophobicContact CB-CB 4.01Å; Q511-W566 HydrophobicContact CB-CD2 3.77Å; Q511-W566 HydrophobicContact CB-CE3 4.3Å; Q511-W566 HydrophobicContact CB-CG 3.6Å; Q511-W566 HydrophobicContact CG-CG 4.33Å
512	G	95.4	Very high	82.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-167.4	-168.6	0	0	0	0	0	111.5	T373 F374 R399	T373-G512 WeakPolarHBondContact CA-O 3.15Å; F374-G512 PolarHBondContact N-O 2.95Å; F374-G512 PolarHBondContact O-N 3.1Å; R399-G512 WeakPolarHBondContact O-CA 3.46Å
513	C	96.1	Very high	84.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.2	179.3	-56.5	0	0	0	0	111.7	V372 F398 R399 W453 C545	V372-C513 CarbonylContact O-C 3.59Å; V372-C513 VanDerWaalsContact O-CA 3.25Å; V372-C513 WeakPolarHBondContact O-CA 3.28Å; F398-C513 VanDerWaalsContact CA-O 3.22Å; F398-C513 WeakPolarHBondContact CA-O 3.33Å; R399-C513 HydrophobicContact CG-CB 4.08Å; R399-C513 PolarHBondContact N-O 2.74Å; R399-C513 PolarHBondContact O-N 3.34Å; W453-C513 HydrophobicContact CH2-CB 3.58Å; W453-C513 HydrophobicContact CZ2-CB 4.28Å; W453-C513 HydrophobicContact CZ3-CB 4.18Å; C513-C545 HydrophobicContact CB-CB 3.89Å; C513-C545 WeakPolarHBondContact CB-SG 3.5Å; C513-C545 WeakPolarHBondContact SG-CA 3.31Å; C513-C545 WeakPolarHBondContact SG-CB 3.37Å; C513-C545 CovalentContact SG-SG 2.03Å; C513-C545 PolarHBondContact SG-SG 2.86Å
514	L	96.3	Very high	85.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.2	168.3	-63.7	-175.5	0	0	0	111	P371 V372 F374 F396 Q397 F398 L407 F491 F510 I517	P371-L514 CarbonylContact C-O 3.53Å; P371-L514 WeakPolarHBondContact CA-O 3.39Å; V372-L514 PolarHBondContact N-O 2.95Å; V372-L514 PolarHBondContact O-N 2.9Å; F374-L514 HydrophobicContact CD2-CD1 4.45Å; F374-L514 HydrophobicContact CD2-CG 4.26Å; F374-L514 HydrophobicContact CE2-CB 4.07Å; F374-L514 HydrophobicContact CE2-CD1 3.44Å; F374-L514 VanDerWaalsContact CE2-CD1 3.44Å; F374-L514 HydrophobicContact CE2-CG 3.57Å; F374-L514 HydrophobicContact CZ-CD1 3.68Å; F374-L514 HydrophobicContact CZ-CG 4.32Å; F396-L514 HydrophobicContact CD2-CD2 3.69Å; F396-L514 HydrophobicContact CE2-CD2 3.98Å; Q397-L514 CarbonylContact O-C 3.52Å; Q397-L514 VanDerWaalsContact O-CA 3.28Å; Q397-L514 WeakPolarHBondContact O-CA 3.42Å; F398-L514 HydrophobicContact CB-CD2 3.34Å; L407-L514 HydrophobicContact CD2-CD2 4.38Å; F491-L514 HydrophobicContact CB-CD1 3.98Å; F491-L514 HydrophobicContact CD1-CD1 3.85Å; F491-L514 HydrophobicContact CG-CD1 4.28Å; F510-L514 HydrophobicContact CE1-CD2 4.15Å; F510-L514 HydrophobicContact CE1-CG 4.21Å; F510-L514 HydrophobicContact CZ-CD2 4.38Å; L514-I517 HydrophobicContact CB-CD1 4.36Å
515	R	94	Very high	87.3	Confident	34 Å²	34	43.8 Å²	43.8	13%	0.128	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	171.8	167.7	70.5	-179.2	-175.5	-170.4	-4	111.3	P371 Q397 W453 I517	P371-R515 HydrophobicContact CB-CB 4.4Å; Q397-R515 HydrophobicContact CB-CG 3.91Å; Q397-R515 PolarHBondContact N-O 3.48Å; Q397-R515 PolarHBondContact O-N 3.15Å; W453-R515 HydrophobicContact CE3-CG 4.07Å; W453-R515 HydrophobicContact CH2-CB 4.15Å; W453-R515 HydrophobicContact CH2-CG 3.78Å; W453-R515 HydrophobicContact CZ2-CG 4.35Å; W453-R515 HydrophobicContact CZ3-CB 4.29Å; W453-R515 HydrophobicContact CZ3-CG 3.64Å; R515-I517 VanDerWaalsContact C-N 3.3Å; R515-I517 PolarHBondContact O-N 2.9Å
516	L	92.9	Very high	88.8	Confident	90 Å²	90	42.5 Å²	42.5	47%	0.471	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.1	43.7	177.2	-63.5	175.3	0	0	0	113	T369 Q397 T518	T369-L516 HydrophobicContact CG2-CD2 3.88Å; T369-L516 HydrophobicContact CG2-CG 4.3Å; Q397-L516 HydrophobicContact CG-CD1 4.29Å; L516-T518 PolarHBondContact O-N 2.91Å
517	I	94.8	Very high	90.2	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.5	-178	-55.4	168.8	0	0	0	109.2	L381 L383 T395 F396 F491 L514 R515 V524	L381-I517 HydrophobicContact CD2-CD1 3.92Å; L383-I517 HydrophobicContact CD1-CG2 4.16Å; T395-I517 CarbonylContact O-C 3.3Å; T395-I517 WeakPolarHBondContact O-CA 3.33Å; F396-I517 HydrophobicContact CB-CG1 4.13Å; F491-I517 HydrophobicContact CE1-CG2 4.22Å; F491-I517 HydrophobicContact CE2-CG2 4.43Å; F491-I517 HydrophobicContact CZ-CG2 3.84Å; L514-I517 HydrophobicContact CB-CD1 4.36Å; R515-I517 VanDerWaalsContact C-N 3.3Å; R515-I517 PolarHBondContact O-N 2.9Å; I517-V524 HydrophobicContact CB-CB 4.17Å; I517-V524 HydrophobicContact CG2-CB 4.23Å; I517-V524 HydrophobicContact CG2-CG2 4.07Å; I517-V524 PolarHBondContact O-N 3.23Å
518	T	94.2	Very high	91.4	Very high	35 Å²	35	38.4 Å²	38.4	22%	0.215	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.3	170.1	74.5	0	0	0	0	110.6	V394 T395 L516 K522 A523	V394-T518 WeakPolarHBondContact CA-O 3.42Å; T395-T518 PolarHBondContact N-O 3.35Å; T395-T518 PolarHBondContact O-N 3.19Å; T395-T518 PolarHBondContact OG1-OG1 2.82Å; L516-T518 PolarHBondContact O-N 2.91Å; T518-K522 WeakPolarHBondContact CA-O 3.31Å; T518-A523 HydrophobicContact CG2-CB 4.36Å
519	I	91.6	Very high	92	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.041	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.6	177.8	-60.2	173.4	0	0	0	107.2	L383 Y489 F491 D521 K522 V524	L383-I519 HydrophobicContact CB-CD1 3.79Å; L383-I519 HydrophobicContact CD1-CD1 4.01Å; Y489-I519 HydrophobicContact CD2-CD1 4.04Å; Y489-I519 HydrophobicContact CD2-CG2 3.81Å; Y489-I519 HydrophobicContact CE2-CG2 3.46Å; Y489-I519 VanDerWaalsContact CE2-CG2 3.46Å; F491-I519 HydrophobicContact CE2-CD1 4.29Å; I519-D521 PolarHBondContact O-N 2.88Å; I519-K522 PolarHBondContact N-O 2.82Å; I519-K522 PolarHBondContact O-N 2.86Å; I519-K522 VanDerWaalsContact O-N 3.1Å; I519-V524 HydrophobicContact CD1-CG2 4.15Å; I519-V524 HydrophobicContact CG1-CG2 4.3Å
520	G	87.7	Confident	91.9	Very high	9 Å²	9	38.5 Å²	38.5	9%	0.093	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-124.9	-164.4	0	0	0	0	0	109.9	S393	S393-G520 PolarHBondContact O-N 3.05Å
521	D	85.4	Confident	91.5	Very high	136 Å²	136	44.9 Å²	44.9	73%	0.727	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	9.1	177.9	-56.8	-44.7	0	0	0	112.7	K391 I519	K391-D521 IonicContact NZ-OD1 3.86Å; K391-D521 IonicContact NZ-OD2 4Å; I519-D521 PolarHBondContact O-N 2.88Å
522	K	90	Very high	91.1	Very high	131 Å²	131	46.7 Å²	46.7	57%	0.57	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.2	-178.3	-64.8	175.4	-173.8	159.9	0	111.3	N386 T518 I519	N386-K522 PolarHBondContact OD1-NZ 2.03Å; T518-K522 WeakPolarHBondContact CA-O 3.31Å; I519-K522 PolarHBondContact N-O 2.82Å; I519-K522 PolarHBondContact O-N 2.86Å; I519-K522 VanDerWaalsContact O-N 3.1Å
523	A	91.9	Very high	90.8	Very high	86 Å²	86	50.4 Å²	50.4	71%	0.711	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	136.2	168.7	0	0	0	0	0	110.6	T518	T518-A523 HydrophobicContact CG2-CB 4.36Å
524	V	92.6	Very high	90.5	Very high	26 Å²	26	52.5 Å²	52.5	16%	0.158	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-92.9	128.5	178	176.1	0	0	0	0	108.7	L383 I517 I519 P526 L534	L383-V524 HydrophobicContact CD1-CG1 3.9Å; L383-V524 HydrophobicContact CD1-CG2 4.14Å; L383-V524 HydrophobicContact CD2-CG1 3.93Å; I517-V524 HydrophobicContact CB-CB 4.17Å; I517-V524 HydrophobicContact CG2-CB 4.23Å; I517-V524 HydrophobicContact CG2-CG2 4.07Å; I517-V524 PolarHBondContact O-N 3.23Å; I519-V524 HydrophobicContact CD1-CG2 4.15Å; I519-V524 HydrophobicContact CG1-CG2 4.3Å; V524-P526 WeakPolarHBondContact O-CD 3.35Å; V524-L534 HydrophobicContact CG1-CD2 4Å
525	D	91.5	Very high	90.3	Very high	55 Å²	55	54.4 Å²	54.4	29%	0.294	33%	0.327	S	S	.	.			trans	-95.5	108.6	167.7	-174.1	-6.3	0	0	0	109.8	I527 L528	D525-I527 PolarHBondContact O-N 3.16Å; D525-I527 VanDerWaalsContact O-N 3.15Å; D525-I527 WeakPolarHBondContact OD1-CB 3.3Å; D525-I527 WeakPolarHBondContact OD1-CG1 3.48Å; D525-I527 PolarHBondContact OD1-N 3.07Å; D525-L528 HydrophobicContact CB-CD1 4.24Å; D525-L528 HydrophobicContact CB-CG 4.2Å; D525-L528 PolarHBondContact O-N 3.43Å; D525-L528 VanDerWaalsContact O-N 3.14Å
526	P	92.3	Very high	90.1	Very high	12 Å²	12	55.5 Å²	55.5	8%	0.078	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-18.5	178.4	-22.2	34.8	0	0	0	114.2	V370 V372 V524 L528 V529 Q530 I542	V370-P526 HydrophobicContact CB-CG 4.22Å; V370-P526 HydrophobicContact CG1-CB 3.88Å; V370-P526 HydrophobicContact CG1-CG 4.07Å; V372-P526 HydrophobicContact CG2-CB 3.6Å; V372-P526 HydrophobicContact CG2-CG 3.82Å; V524-P526 WeakPolarHBondContact O-CD 3.35Å; P526-L528 VanDerWaalsContact C-N 3.31Å; P526-L528 PolarHBondContact O-N 3.45Å; P526-V529 VanDerWaalsContact O-CB 3.31Å; P526-V529 WeakPolarHBondContact O-CB 3.01Å; P526-V529 PolarHBondContact O-N 3.3Å; P526-V529 VanDerWaalsContact O-N 3.16Å; P526-Q530 PolarHBondContact O-N 2.71Å; P526-I542 HydrophobicContact CB-CG2 3.94Å
527	I	89.3	Confident	90.1	Very high	26 Å²	26	53.6 Å²	53.6	13%	0.133	33%	0.327	C	S	.	.	H	α-helix	trans	-65.8	-36.6	175.8	-59.4	-58	0	0	0	111	V370 D525 V529 Q530 Q531 I542 D543	V370-I527 HydrophobicContact CG1-CD1 3.72Å; V370-I527 HydrophobicContact CG1-CG1 4.07Å; V370-I527 HydrophobicContact CG2-CD1 4.25Å; V370-I527 HydrophobicContact CG2-CG1 3.98Å; D525-I527 PolarHBondContact O-N 3.16Å; D525-I527 VanDerWaalsContact O-N 3.15Å; D525-I527 WeakPolarHBondContact OD1-CB 3.3Å; D525-I527 WeakPolarHBondContact OD1-CG1 3.48Å; D525-I527 PolarHBondContact OD1-N 3.07Å; I527-V529 PolarHBondContact O-N 2.94Å; I527-Q530 WeakPolarHBondContact O-CB 3.4Å; I527-Q530 PolarHBondContact O-N 3.36Å; I527-Q531 WeakPolarHBondContact O-CG 3.47Å; I527-Q531 PolarHBondContact O-N 2.8Å; I527-I542 HydrophobicContact CD1-CG2 4.44Å; I527-D543 HydrophobicContact CD1-CB 3.97Å
528	L	90.9	Very high	89.8	Confident	71 Å²	71	58.5 Å²	58.5	37%	0.372	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-30.5	174.7	-62.8	179.2	0	0	0	111.7	D525 P526 Q531 G532 A533 L534	D525-L528 HydrophobicContact CB-CD1 4.24Å; D525-L528 HydrophobicContact CB-CG 4.2Å; D525-L528 PolarHBondContact O-N 3.43Å; D525-L528 VanDerWaalsContact O-N 3.14Å; P526-L528 VanDerWaalsContact C-N 3.31Å; P526-L528 PolarHBondContact O-N 3.45Å; L528-Q531 PolarHBondContact O-N 2.66Å; L528-G532 PolarHBondContact O-N 3.07Å; L528-A533 HydrophobicContact CB-CB 4.47Å; L528-A533 PolarHBondContact O-N 2.98Å; L528-L534 HydrophobicContact CB-CB 3.84Å; L528-L534 HydrophobicContact CB-CD2 4.42Å; L528-L534 PolarHBondContact O-N 3.11Å
529	V	90.1	Very high	89.5	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-45.4	173.4	-175.4	0	0	0	0	110.8	L381 L383 P526 I527 Q531 G532 L534 F537 I542	L381-V529 HydrophobicContact CD1-CB 4.5Å; L381-V529 HydrophobicContact CD1-CG1 3.63Å; L381-V529 HydrophobicContact CD1-CG2 4.28Å; L383-V529 HydrophobicContact CD2-CG2 3.82Å; P526-V529 VanDerWaalsContact O-CB 3.31Å; P526-V529 WeakPolarHBondContact O-CB 3.01Å; P526-V529 PolarHBondContact O-N 3.3Å; P526-V529 VanDerWaalsContact O-N 3.16Å; I527-V529 PolarHBondContact O-N 2.94Å; V529-Q531 PolarHBondContact O-N 3.15Å; V529-G532 PolarHBondContact O-N 3.4Å; V529-L534 VanDerWaalsContact CA-O 3.23Å; V529-L534 WeakPolarHBondContact CA-O 3.26Å; V529-L534 HydrophobicContact CG2-CB 4.3Å; V529-L534 HydrophobicContact CG2-CD2 4.29Å; V529-L534 HydrophobicContact CG2-CG 4.35Å; V529-L534 WeakPolarHBondContact CG2-O 3.24Å; V529-F537 HydrophobicContact CG1-CB 4.44Å; V529-F537 HydrophobicContact CG1-CD1 3.74Å; V529-F537 HydrophobicContact CG1-CE1 4.47Å; V529-F537 HydrophobicContact CG1-CG 4.44Å; V529-I542 HydrophobicContact CB-CD1 4.41Å; V529-I542 HydrophobicContact CG1-CD1 4.32Å
530	Q	86.1	Confident	89.5	Confident	56 Å²	56	57.9 Å²	57.9	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-34	177	-169.4	177.7	-2.8	0	0	112.3	W80 P526 I527 G532 I542	W80-Q530 VanDerWaalsContact NE1-NE2 3.16Å; P526-Q530 PolarHBondContact O-N 2.71Å; I527-Q530 WeakPolarHBondContact O-CB 3.4Å; I527-Q530 PolarHBondContact O-N 3.36Å; Q530-G532 VanDerWaalsContact C-N 3.26Å; Q530-G532 PolarHBondContact O-N 3.31Å; Q530-I542 HydrophobicContact CB-CB 4.39Å; Q530-I542 HydrophobicContact CB-CD1 3.73Å; Q530-I542 HydrophobicContact CB-CG2 4.17Å; Q530-I542 HydrophobicContact CG-CD1 4.31Å
531	Q	84.8	Confident	89.7	Confident	136 Å²	136	59.2 Å²	59.2	64%	0.636	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.6	176.9	-68.1	172.4	-3.3	0	0	113.7	I527 L528 V529 A533	I527-Q531 WeakPolarHBondContact O-CG 3.47Å; I527-Q531 PolarHBondContact O-N 2.8Å; L528-Q531 PolarHBondContact O-N 2.66Å; V529-Q531 PolarHBondContact O-N 3.15Å; Q531-A533 PolarHBondContact O-N 2.97Å
532	G	84.5	Confident	89.9	Confident	62 Å²	62	53.5 Å²	53.5	64%	0.639	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	12	-176.4	0	0	0	0	0	114.4	L528 V529 Q530	L528-G532 PolarHBondContact O-N 3.07Å; V529-G532 PolarHBondContact O-N 3.4Å; Q530-G532 VanDerWaalsContact C-N 3.26Å; Q530-G532 PolarHBondContact O-N 3.31Å
533	A	88.9	Confident	90	Very high	77 Å²	77	47.3 Å²	47.3	64%	0.636	29%	0.287	S	S	*	.	S	Bend	trans	-84.4	-20	178	0	0	0	0	0	112.8	L528 Q531	L528-A533 HydrophobicContact CB-CB 4.47Å; L528-A533 PolarHBondContact O-N 2.98Å; Q531-A533 PolarHBondContact O-N 2.97Å
534	L	91.3	Very high	90	Very high	44 Å²	44	43.4 Å²	43.4	23%	0.23	26%	0.255	C	S	.	.	S	Bend	trans	-138.2	120.2	-177.9	-177.6	66	0	0	0	111.4	L383 P384 V524 L528 V529	L383-L534 HydrophobicContact CD2-CD2 4.42Å; L383-L534 HydrophobicContact CD2-CG 4.33Å; P384-L534 HydrophobicContact CG-CD1 3.62Å; V524-L534 HydrophobicContact CG1-CD2 4Å; L528-L534 HydrophobicContact CB-CB 3.84Å; L528-L534 HydrophobicContact CB-CD2 4.42Å; L528-L534 PolarHBondContact O-N 3.11Å; V529-L534 VanDerWaalsContact CA-O 3.23Å; V529-L534 WeakPolarHBondContact CA-O 3.26Å; V529-L534 HydrophobicContact CG2-CB 4.3Å; V529-L534 HydrophobicContact CG2-CD2 4.29Å; V529-L534 HydrophobicContact CG2-CG 4.35Å; V529-L534 WeakPolarHBondContact CG2-O 3.24Å
535	G	90.8	Very high	89.9	Confident	41 Å²	41	43.4 Å²	43.4	42%	0.423	26%	0.256	S	S	.	.			trans	64.9	-161.7	173.2	0	0	0	0	0	114.6	A382	A382-G535 CarbonylContact O-C 3.52Å; A382-G535 WeakPolarHBondContact O-CA 3.44Å
536	S	91.2	Very high	89.7	Confident	57 Å²	57	41.8 Å²	41.8	40%	0.399	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	160.4	176.3	67.2	0	0	0	0	111.3	A382	A382-S536 PolarHBondContact N-O 2.86Å; A382-S536 PolarHBondContact O-N 3.47Å
537	F	92.1	Very high	89.6	Confident	49 Å²	49	41.7 Å²	41.7	22%	0.215	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	162.7	-178.1	69.9	-83.6	0	0	0	113.2	Y78 Y380 L381 V529 L540 I542	Y78-F537 AromaticContact CD1-CE2 3.99Å; Y78-F537 HydrophobicContact CD1-CE2 3.99Å; Y78-F537 HydrophobicContact CD1-CZ 4.34Å; Y78-F537 AromaticContact CE1-CE2 3.69Å; Y78-F537 HydrophobicContact CE1-CE2 3.69Å; Y78-F537 HydrophobicContact CE1-CZ 4.44Å; Y380-F537 VanDerWaalsContact O-CA 3.3Å; Y380-F537 WeakPolarHBondContact O-CA 3.44Å; L381-F537 HydrophobicContact CD1-CB 4.29Å; V529-F537 HydrophobicContact CG1-CB 4.44Å; V529-F537 HydrophobicContact CG1-CD1 3.74Å; V529-F537 HydrophobicContact CG1-CE1 4.47Å; V529-F537 HydrophobicContact CG1-CG 4.44Å; F537-L540 HydrophobicContact CB-CD1 3.5Å; F537-L540 VanDerWaalsContact CB-CD1 3.5Å; F537-L540 HydrophobicContact CB-CG 4.06Å; F537-L540 HydrophobicContact CD2-CB 3.91Å; F537-L540 HydrophobicContact CD2-CD1 4.23Å; F537-L540 HydrophobicContact CD2-CG 4.1Å; F537-L540 HydrophobicContact CG-CD1 4.17Å; F537-I542 HydrophobicContact CD1-CD1 4.36Å; F537-I542 HydrophobicContact CE1-CD1 4.23Å; F537-I542 HydrophobicContact CE2-CD1 4.48Å; F537-I542 HydrophobicContact CZ-CD1 4.3Å
538	R	89.4	Confident	89.5	Confident	109 Å²	109	42 Å²	42	41%	0.411	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.6	171.7	-179.9	-179.5	176.7	166.2	7.1	110.5	S379 Y380 L540	S379-R538 VanDerWaalsContact CA-O 3.31Å; S379-R538 WeakPolarHBondContact CA-O 3.47Å; Y380-R538 HydrophobicContact CD1-CB 3.63Å; Y380-R538 HydrophobicContact CE1-CB 3.29Å; Y380-R538 HydrophobicContact CE1-CG 4.21Å; Y380-R538 HydrophobicContact CG-CB 4.42Å; Y380-R538 PolarHBondContact N-O 3.34Å; Y380-R538 PolarHBondContact O-N 3.5Å; R538-L540 VanDerWaalsContact C-N 3.27Å; R538-L540 PolarHBondContact O-N 2.83Å
539	D	88	Confident	89.5	Confident	22 Å²	22	39.4 Å²	39.4	12%	0.118	24%	0.24	C	C	.	.	S	Bend	trans	51	43.3	172.3	-61.6	-35.4	0	0	0	113.6	K77 Y78 L375 S379	K77-D539 IonicContact NZ-OD1 3.27Å; K77-D539 PolarHBondContact NZ-OD1 3.37Å; Y78-D539 PolarHBondContact OH-N 2.94Å; L375-D539 PolarHBondContact N-O 3.04Å; S379-D539 WeakPolarHBondContact CB-O 3.19Å; S379-D539 WeakPolarHBondContact OG-CB 3.23Å; S379-D539 PolarHBondContact OG-O 2.93Å
540	L	91.4	Very high	89.4	Confident	7 Å²	7	40.5 Å²	40.5	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.8	174.1	-55.7	-176.5	0	0	0	111.6	V372 T373 F374 L381 F537 R538 I542	V372-L540 HydrophobicContact CG1-CB 4.16Å; V372-L540 HydrophobicContact CG1-CD1 3.79Å; V372-L540 HydrophobicContact CG1-CD2 4.41Å; V372-L540 HydrophobicContact CG1-CG 4.35Å; T373-L540 WeakPolarHBondContact O-CA 3.42Å; F374-L540 HydrophobicContact CB-CD2 4.32Å; F374-L540 HydrophobicContact CD1-CD2 3.37Å; F374-L540 HydrophobicContact CD2-CD2 4.25Å; F374-L540 HydrophobicContact CE1-CD2 3.55Å; F374-L540 HydrophobicContact CE2-CD2 4.38Å; F374-L540 HydrophobicContact CG-CD2 3.74Å; F374-L540 HydrophobicContact CZ-CD2 4.06Å; L381-L540 HydrophobicContact CB-CD1 3.72Å; L381-L540 HydrophobicContact CD1-CD1 4.19Å; L381-L540 HydrophobicContact CG-CD1 4.42Å; F537-L540 HydrophobicContact CB-CD1 3.5Å; F537-L540 VanDerWaalsContact CB-CD1 3.5Å; F537-L540 HydrophobicContact CB-CG 4.06Å; F537-L540 HydrophobicContact CD2-CB 3.91Å; F537-L540 HydrophobicContact CD2-CD1 4.23Å; F537-L540 HydrophobicContact CD2-CG 4.1Å; F537-L540 HydrophobicContact CG-CD1 4.17Å; R538-L540 VanDerWaalsContact C-N 3.27Å; R538-L540 PolarHBondContact O-N 2.83Å; L540-I542 HydrophobicContact CB-CG1 4.43Å
541	Q	90.8	Very high	89.5	Confident	38 Å²	38	38.6 Å²	38.6	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106	163.8	-160.5	-176.7	-24.1	0	0	108.3	T373 L375 S544	T373-Q541 PolarHBondContact N-O 3.05Å; T373-Q541 PolarHBondContact O-N 2.98Å; L375-Q541 HydrophobicContact CD1-CB 4.38Å; L375-Q541 HydrophobicContact CD2-CB 4.33Å; L375-Q541 HydrophobicContact CG-CB 4.5Å; Q541-S544 WeakPolarHBondContact CG-OG 3.45Å; Q541-S544 PolarHBondContact NE2-OG 2.89Å
542	I	90.8	Very high	89.6	Confident	15 Å²	15	35 Å²	35	8%	0.077	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	147.2	-178.9	-63.1	170.8	0	0	0	109.4	V370 V372 P526 I527 V529 Q530 F537 L540 S544	V370-I542 HydrophobicContact CG1-CG2 4.22Å; V372-I542 HydrophobicContact CG1-CG1 4.26Å; V372-I542 HydrophobicContact CG2-CG1 4.48Å; P526-I542 HydrophobicContact CB-CG2 3.94Å; I527-I542 HydrophobicContact CD1-CG2 4.44Å; V529-I542 HydrophobicContact CB-CD1 4.41Å; V529-I542 HydrophobicContact CG1-CD1 4.32Å; Q530-I542 HydrophobicContact CB-CB 4.39Å; Q530-I542 HydrophobicContact CB-CD1 3.73Å; Q530-I542 HydrophobicContact CB-CG2 4.17Å; Q530-I542 HydrophobicContact CG-CD1 4.31Å; F537-I542 HydrophobicContact CD1-CD1 4.36Å; F537-I542 HydrophobicContact CE1-CD1 4.23Å; F537-I542 HydrophobicContact CE2-CD1 4.48Å; F537-I542 HydrophobicContact CZ-CD1 4.3Å; L540-I542 HydrophobicContact CB-CG1 4.43Å; I542-S544 VanDerWaalsContact C-N 3.31Å; I542-S544 PolarHBondContact O-N 3.02Å
543	D	90.9	Very high	89.4	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.011	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	31.1	178.4	-157.7	21.5	0	0	0	113.1	R118 N119 W120 V370 P371 I527	R118-D543 WeakPolarHBondContact CA-OD2 3.39Å; N119-D543 CarbonylContact C-O 3.58Å; N119-D543 PolarHBondContact N-OD1 3.06Å; W120-D543 VanDerWaalsContact CD1-CG 3.49Å; W120-D543 PolarHBondContact N-O 2.91Å; W120-D543 PolarHBondContact NE1-OD2 2.8Å; V370-D543 HydrophobicContact CG1-CB 3.86Å; P371-D543 VanDerWaalsContact O-CA 3.28Å; P371-D543 WeakPolarHBondContact O-CA 3.49Å; P371-D543 PolarHBondContact O-N 2.94Å; I527-D543 HydrophobicContact CD1-CB 3.97Å
544	S	91.4	Very high	89.3	Confident	4 Å²	4	34.3 Å²	34.3	3%	0.028	20%	0.2	C	C	.	.			trans	-161.2	151.8	173.5	60.1	0	0	0	0	110.4	W120 P371 T373 Q541 I542	W120-S544 WeakPolarHBondContact O-CB 3.47Å; P371-S544 PolarHBondContact O-N 2.94Å; P371-S544 VanDerWaalsContact O-N 3.15Å; T373-S544 PolarHBondContact OG1-O 2.87Å; Q541-S544 WeakPolarHBondContact CG-OG 3.45Å; Q541-S544 PolarHBondContact NE2-OG 2.89Å; I542-S544 VanDerWaalsContact C-N 3.31Å; I542-S544 PolarHBondContact O-N 3.02Å
545	C	91.9	Very high	89.2	Confident	26 Å²	26	34.1 Å²	34.1	18%	0.176	20%	0.197	C	C	.	.			trans	-117.6	101.4	170.9	178.1	0	0	0	0	110.4	P371 T373 R399 W453 C513 I547	P371-C545 HydrophobicContact CB-CB 4.02Å; P371-C545 HydrophobicContact CG-CB 4.24Å; T373-C545 VanDerWaalsContact OG1-CA 3.23Å; T373-C545 WeakPolarHBondContact OG1-CA 3.26Å; R399-C545 PolarHBondContact NE-SG 2.88Å; R399-C545 PolarHBondContact NH2-SG 2.93Å; W453-C545 HydrophobicContact CZ2-CB 4.47Å; C513-C545 HydrophobicContact CB-CB 3.89Å; C513-C545 WeakPolarHBondContact CB-SG 3.5Å; C513-C545 WeakPolarHBondContact SG-CA 3.31Å; C513-C545 WeakPolarHBondContact SG-CB 3.37Å; C513-C545 CovalentContact SG-SG 2.03Å; C513-C545 PolarHBondContact SG-SG 2.86Å; C545-I547 VanDerWaalsContact C-N 3.31Å; C545-I547 PolarHBondContact O-N 2.95Å; C545-I547 VanDerWaalsContact SG-CG2 3.57Å
546	G	87	Confident	89.2	Confident	20 Å²	20	32.8 Å²	32.8	21%	0.206	18%	0.181	C	C	.	.			trans	-85	15.7	-173.9	0	0	0	0	0	116.1	T373 T548	T373-G546 PolarHBondContact OG1-N 2.85Å; G546-T548 PolarHBondContact O-OG1 3.42Å
547	I	89.8	Confident	89.2	Confident	11 Å²	11	32.2 Å²	32.2	6%	0.056	17%	0.172	C	C	.	.			trans	-63.3	139.9	178.7	-166	170.9	0	0	0	110.7	L266 R399 W401 C545 W566	L266-I547 HydrophobicContact CD1-CG2 3.95Å; L266-I547 HydrophobicContact CD2-CG2 4.29Å; R399-I547 HydrophobicContact CG-CD1 4.22Å; W401-I547 HydrophobicContact CG-CD1 4.34Å; C545-I547 VanDerWaalsContact C-N 3.31Å; C545-I547 PolarHBondContact O-N 2.95Å; C545-I547 VanDerWaalsContact SG-CG2 3.57Å; I547-W566 HydrophobicContact CB-CH2 4.49Å; I547-W566 HydrophobicContact CB-CZ3 3.93Å; I547-W566 HydrophobicContact CG1-CE3 4.48Å; I547-W566 HydrophobicContact CG1-CZ3 3.96Å
548	T	88.3	Confident	89.1	Confident	32 Å²	32	32.2 Å²	32.2	20%	0.196	17%	0.172	C	C	.	.			trans	-131.3	136.8	-177.1	-55.5	0	0	0	0	109	R124 W401 G546	R124-T548 PolarHBondContact NH1-OG1 3.06Å; R124-T548 PolarHBondContact NH2-OG1 2.85Å; W401-T548 PolarHBondContact NE1-O 3.26Å; G546-T548 PolarHBondContact O-OG1 3.42Å
549	D	88.9	Confident	89.1	Confident	16 Å²	16	30.7 Å²	30.7	9%	0.086	19%	0.19	C	C	.	.			trans	-88.7	114.6	173.3	-169.2	-22.7	0	0	0	108.8	S265 L266 W401 C551 L552 Q564	S265-D549 WeakPolarHBondContact CB-OD2 3.44Å; S265-D549 PolarHBondContact OG-OD2 2.69Å; L266-D549 HydrophobicContact CD1-CB 4.08Å; L266-D549 HydrophobicContact CG-CB 4.47Å; W401-D549 HydrophobicContact CZ2-CB 3.87Å; D549-C551 PolarHBondContact OD1-N 2.81Å; D549-L552 PolarHBondContact OD1-N 2.84Å; D549-Q564 PolarHBondContact OD1-NE2 2.96Å
550	R	88.1	Confident	89.3	Confident	27 Å²	27	30 Å²	30	10%	0.102	19%	0.189	C	C	.	.	S	Bend	trans	-93.8	-3.8	-178.9	-66.2	-179.7	176.2	73.3	-2	113.4	W566 F569 D904	R550-W566 PolarHBondContact NH1-O 3.48Å; R550-W566 PolarHBondContact NH2-O 3.37Å; R550-F569 HydrophobicContact CB-CB 4.01Å; R550-F569 HydrophobicContact CB-CD1 4.29Å; R550-D904 IonicContact CZ-OD1 3.02Å; R550-D904 IonicContact NH2-OD1 3.29Å; R550-D904 PolarHBondContact NH2-OD1 2.88Å
551	C	89.9	Confident	89.4	Confident	16 Å²	16	36.8 Å²	36.8	11%	0.108	22%	0.22	C	C	.	.	S	Bend	trans	-102.9	-0.7	176.8	-73.3	0	0	0	0	113.1	D549 P553 S554 C562	D549-C551 PolarHBondContact OD1-N 2.81Å; C551-P553 CarbonylContact C-O 3.52Å; C551-P553 CarbonylContact O-C 3.59Å; C551-S554 VanDerWaalsContact O-CA 3.25Å; C551-S554 WeakPolarHBondContact O-CA 3.22Å; C551-S554 WeakPolarHBondContact O-CB 3.46Å; C551-S554 PolarHBondContact O-N 3.06Å; C551-S554 VanDerWaalsContact O-N 3.12Å; C551-C562 WeakPolarHBondContact CA-SG 3.45Å; C551-C562 HydrophobicContact CB-CB 3.7Å; C551-C562 WeakPolarHBondContact CB-SG 3.49Å; C551-C562 WeakPolarHBondContact SG-CB 3.37Å; C551-C562 CovalentContact SG-SG 2.04Å; C551-C562 PolarHBondContact SG-SG 3.4Å
552	L	85.1	Confident	89.6	Confident	61 Å²	61	36.4 Å²	36.4	32%	0.319	22%	0.221	S	C	.	.	S	Bend	trans	-135.8	106.7	178.3	-72.8	176.7	0	0	0	111.2	K240 D549	K240-L552 HydrophobicContact CD-CD1 3.62Å; K240-L552 VanDerWaalsContact CE-CD1 3.45Å; K240-L552 HydrophobicContact CG-CD1 4.37Å; K240-L552 VanDerWaalsContact NZ-CD1 3.3Å; D549-L552 PolarHBondContact OD1-N 2.84Å
553	P	81.9	Confident	89.7	Confident	66 Å²	66	38 Å²	38	43%	0.429	23%	0.234	S	C	.	.	S	Bend	cis	-65.5	150.2	-3.1	29.6	-34.8	0	0	0	112.1	C551	C551-P553 CarbonylContact C-O 3.52Å; C551-P553 CarbonylContact O-C 3.59Å
554	S	86.1	Confident	89.8	Confident	58 Å²	58	39.5 Å²	39.5	41%	0.406	24%	0.241	S	C	.	.			trans	-73.8	129.8	178.8	-178.3	0	0	0	0	110	C551 C556	C551-S554 VanDerWaalsContact O-CA 3.25Å; C551-S554 WeakPolarHBondContact O-CA 3.22Å; C551-S554 WeakPolarHBondContact O-CB 3.46Å; C551-S554 PolarHBondContact O-N 3.06Å; C551-S554 VanDerWaalsContact O-N 3.12Å; S554-C556 VanDerWaalsContact C-N 3.31Å; S554-C556 WeakPolarHBondContact OG-CB 3.23Å; S554-C556 PolarHBondContact OG-N 3.16Å; S554-C556 VanDerWaalsContact OG-N 3.16Å
555	Y	88.7	Confident	89.8	Confident	40 Å²	40	40.7 Å²	40.7	16%	0.157	25%	0.249	C	C	.	.			trans	-86.6	-2.6	169.9	-65.9	-68.7	0	0	0	113	E127 E557 F569 L812 V884	E127-Y555 PolarHBondContact OE2-OH 3.05Å; Y555-E557 PolarHBondContact O-N 2.8Å; Y555-F569 HydrophobicContact CD2-CD1 4.48Å; Y555-F569 AromaticContact CD2-CE1 3.97Å; Y555-F569 HydrophobicContact CD2-CE1 3.97Å; Y555-F569 HydrophobicContact CD2-CZ 4.14Å; Y555-F569 HydrophobicContact CG-CE1 4.39Å; Y555-F569 HydrophobicContact CG-CZ 4.14Å; Y555-L812 HydrophobicContact CD1-CD1 4.32Å; Y555-L812 HydrophobicContact CE1-CD1 4.19Å; Y555-L812 HydrophobicContact CE1-CD2 4.23Å; Y555-V884 HydrophobicContact CD1-CG1 4.04Å; Y555-V884 HydrophobicContact CD1-CG2 4.23Å; Y555-V884 HydrophobicContact CE1-CG1 4.28Å; Y555-V884 HydrophobicContact CG-CG2 4.04Å
556	C	92.2	Very high	89.7	Confident	12 Å²	12	40.6 Å²	40.6	8%	0.081	25%	0.245	C	C	.	.			trans	-79.1	115.7	173.9	-53.1	0	0	0	0	109.6	S554 G560 C562 C571	S554-C556 VanDerWaalsContact C-N 3.31Å; S554-C556 WeakPolarHBondContact OG-CB 3.23Å; S554-C556 PolarHBondContact OG-N 3.16Å; S554-C556 VanDerWaalsContact OG-N 3.16Å; C556-G560 WeakPolarHBondContact CB-O 3.31Å; C556-C562 VanDerWaalsContact SG-CB 3.55Å; C556-C571 WeakPolarHBondContact CA-SG 3.14Å; C556-C571 HydrophobicContact CB-CB 3.71Å; C556-C571 WeakPolarHBondContact CB-SG 3.22Å; C556-C571 WeakPolarHBondContact SG-CA 3.45Å; C556-C571 WeakPolarHBondContact SG-CB 3.31Å; C556-C571 CovalentContact SG-SG 2.02Å; C556-C571 PolarHBondContact SG-SG 3.06Å
557	E	91.1	Very high	89.6	Confident	46 Å²	46	43.3 Å²	43.3	22%	0.215	26%	0.255	C	S	.	.			trans	-80.4	168.9	-179.7	-60.5	-178.2	-155.6	0	0	111.3	Y555 G559 G560 T582 H584 T813	Y555-E557 PolarHBondContact O-N 2.8Å; E557-G559 PolarHBondContact O-N 2.9Å; E557-G560 PolarHBondContact O-N 3.19Å; E557-T582 PolarHBondContact N-O 2.73Å; E557-H584 VanDerWaalsContact CD-ND1 3.33Å; E557-H584 IonicContact OE1-CG 3.75Å; E557-H584 IonicContact OE1-ND1 3.78Å; E557-H584 PolarHBondContact OE1-ND1 2.85Å; E557-H584 IonicContact OE2-CE1 3.8Å; E557-H584 IonicContact OE2-CG 2.74Å; E557-H584 IonicContact OE2-ND1 3.82Å; E557-H584 PolarHBondContact OE2-ND1 3.03Å; E557-T813 WeakPolarHBondContact OE1-CG2 3.44Å; E557-T813 PolarHBondContact OE1-OG1 2.82Å; E557-T813 VanDerWaalsContact OE1-OG1 3.14Å
558	H	89.9	Confident	89.6	Confident	49 Å²	49	45.5 Å²	45.5	23%	0.227	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	28.5	173.9	-50.4	105.1	0	0	0	115.8	Y578 C583 G613	H558-Y578 HydrophobicContact CB-CD2 3.39Å; H558-Y578 HydrophobicContact CB-CE2 3.62Å; H558-Y578 HydrophobicContact CB-CG 3.96Å; H558-Y578 AromaticContact CD2-CE1 3.94Å; H558-Y578 AromaticContact CD2-CE2 3.69Å; H558-Y578 AromaticContact CD2-CZ 3.56Å; H558-Y578 AromaticContact CE1-CD1 3.72Å; H558-Y578 AromaticContact CE1-CE1 3.6Å; H558-Y578 AromaticContact CG-CD1 3.89Å; H558-Y578 AromaticContact CG-CD2 3.46Å; H558-Y578 VanDerWaalsContact CG-CD2 3.46Å; H558-Y578 AromaticContact CG-CE1 3.87Å; H558-Y578 AromaticContact CG-CE2 3.44Å; H558-Y578 VanDerWaalsContact CG-CE2 3.44Å; H558-Y578 AromaticContact CG-CG 3.72Å; H558-Y578 AromaticContact CG-CZ 3.66Å; H558-Y578 AromaticContact ND1-CD1 3.41Å; H558-Y578 WeakPolarHBondContact ND1-CD1 3.24Å; H558-Y578 AromaticContact ND1-CD2 3.8Å; H558-Y578 AromaticContact ND1-CE1 3.65Å; H558-Y578 AromaticContact ND1-CG 3.51Å; H558-Y578 AromaticContact ND1-CZ 3.95Å; H558-Y578 AromaticContact NE2-CE1 3.83Å; H558-Y578 AromaticContact NE2-CZ 3.87Å; H558-C583 PolarHBondContact ND1-O 2.9Å; H558-G613 PolarHBondContact NE2-O 2.76Å
559	G	88.4	Confident	89.8	Confident	76 Å²	76	44.6 Å²	44.6	78%	0.784	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	15.7	177.8	0	0	0	0	0	114.9	E557	E557-G559 PolarHBondContact O-N 2.9Å
560	G	92.1	Very high	90	Very high	9 Å²	9	46.5 Å²	46.5	9%	0.093	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-59.7	143	174.3	0	0	0	0	0	113.1	C556 E557 C562 D572	C556-G560 WeakPolarHBondContact CB-O 3.31Å; E557-G560 PolarHBondContact O-N 3.19Å; G560-C562 PolarHBondContact O-N 3Å; G560-D572 VanDerWaalsContact CA-O 3.29Å; G560-D572 WeakPolarHBondContact CA-O 2.99Å
561	E	94.3	Very high	90.3	Very high	149 Å²	149	46.3 Å²	46.3	70%	0.696	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.2	-179	-171.3	177.7	170.1	0	0	110.6	C571 D572	E561-C571 WeakPolarHBondContact O-CA 3.47Å; E561-D572 HydrophobicContact CB-CB 4.28Å; E561-D572 PolarHBondContact N-O 3.09Å; E561-D572 VanDerWaalsContact N-O 3.11Å; E561-D572 PolarHBondContact O-N 2.98Å
562	C	94.1	Very high	90.6	Very high	29 Å²	29	49.2 Å²	49.2	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130	179.8	-171.3	0	0	0	0	112	C551 C556 G560	C551-C562 WeakPolarHBondContact CA-SG 3.45Å; C551-C562 HydrophobicContact CB-CB 3.7Å; C551-C562 WeakPolarHBondContact CB-SG 3.49Å; C551-C562 WeakPolarHBondContact SG-CB 3.37Å; C551-C562 CovalentContact SG-SG 2.04Å; C551-C562 PolarHBondContact SG-SG 3.4Å; C556-C562 VanDerWaalsContact SG-CB 3.55Å; G560-C562 PolarHBondContact O-N 3Å
563	S	93.2	Very high	91.1	Very high	50 Å²	50	47.3 Å²	47.3	35%	0.35	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.4	167.9	65	0	0	0	0	110.2	F569 S570	S563-F569 CarbonylContact O-C 3.52Å; S563-F569 VanDerWaalsContact O-CA 3.22Å; S563-F569 WeakPolarHBondContact O-CA 3.33Å; S563-F569 WeakPolarHBondContact O-CB 3.17Å; S563-S570 PolarHBondContact N-O 3.17Å; S563-S570 PolarHBondContact O-N 2.87Å; S563-S570 PolarHBondContact OG-O 3.39Å
564	Q	92.8	Very high	91.7	Very high	33 Å²	33	51.3 Å²	51.3	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.3	-175.5	66.5	-176.2	-52.9	0	0	114.5	W401 D549 T568 F569	W401-Q564 HydrophobicContact CB-CG 4.24Å; W401-Q564 HydrophobicContact CD2-CG 3.95Å; W401-Q564 HydrophobicContact CE3-CG 3.99Å; W401-Q564 HydrophobicContact CG-CG 4.07Å; D549-Q564 PolarHBondContact OD1-NE2 2.96Å; Q564-T568 WeakPolarHBondContact CA-O 3.37Å; Q564-F569 HydrophobicContact CB-CB 4.13Å
565	S	91.6	Very high	91.8	Very high	28 Å²	28	52.9 Å²	52.9	20%	0.196	33%	0.328	C	S	.	.			trans	-123.6	-175.1	166.7	75	0	0	0	0	109.9	N402 D567 T568	N402-S565 WeakPolarHBondContact OD1-CB 3.49Å; S565-D567 PolarHBondContact O-N 2.9Å; S565-D567 PolarHBondContact OG-N 3.08Å; S565-D567 PolarHBondContact OG-OD1 3.35Å; S565-T568 PolarHBondContact N-O 3.47Å; S565-T568 PolarHBondContact OG-N 3.36Å; S565-T568 VanDerWaalsContact OG-N 3.15Å; S565-T568 PolarHBondContact OG-O 2.94Å
566	W	89.6	Confident	92	Very high	24 Å²	24	52.4 Å²	52.4	9%	0.091	33%	0.329	C	S	.	.	S	Bend	trans	-57.6	-34.3	174.8	-179.2	-95.7	0	0	0	113.4	T373 L375 N402 Q511 I547 R550	T373-W566 HydrophobicContact CG2-CH2 3.52Å; T373-W566 HydrophobicContact CG2-CZ2 3.87Å; L375-W566 PolarHBondContact O-NE1 2.77Å; N402-W566 WeakPolarHBondContact OD1-CB 3.31Å; N402-W566 PolarHBondContact OD1-N 3.29Å; Q511-W566 HydrophobicContact CB-CB 4.01Å; Q511-W566 HydrophobicContact CB-CD2 3.77Å; Q511-W566 HydrophobicContact CB-CE3 4.3Å; Q511-W566 HydrophobicContact CB-CG 3.6Å; Q511-W566 HydrophobicContact CG-CG 4.33Å; I547-W566 HydrophobicContact CB-CH2 4.49Å; I547-W566 HydrophobicContact CB-CZ3 3.93Å; I547-W566 HydrophobicContact CG1-CE3 4.48Å; I547-W566 HydrophobicContact CG1-CZ3 3.96Å; R550-W566 PolarHBondContact NH1-O 3.48Å; R550-W566 PolarHBondContact NH2-O 3.37Å
567	D	86.4	Confident	91.9	Very high	78 Å²	78	52.3 Å²	52.3	42%	0.417	33%	0.33	S	S	.	.	S	Bend	trans	-117.2	-16.9	-163	39.5	-21.3	0	0	0	113.7	S565 A903	S565-D567 PolarHBondContact O-N 2.9Å; S565-D567 PolarHBondContact OG-N 3.08Å; S565-D567 PolarHBondContact OG-OD1 3.35Å; D567-A903 VanDerWaalsContact O-CB 3.22Å; D567-A903 WeakPolarHBondContact O-CB 3.27Å
568	T	89.5	Confident	92	Very high	56 Å²	56	50.3 Å²	50.3	34%	0.344	32%	0.321	S	S	.	.			trans	-154.8	172.2	176.7	-157.5	0	0	0	0	112.7	Q564 S565 K885	Q564-T568 WeakPolarHBondContact CA-O 3.37Å; S565-T568 PolarHBondContact N-O 3.47Å; S565-T568 PolarHBondContact OG-N 3.36Å; S565-T568 VanDerWaalsContact OG-N 3.15Å; S565-T568 PolarHBondContact OG-O 2.94Å; T568-K885 PolarHBondContact OG1-NZ 3.16Å
569	F	92.3	Very high	92.1	Very high	13 Å²	13	51.3 Å²	51.3	6%	0.057	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	159.7	167.3	74.3	-87.6	0	0	0	109.7	R550 Y555 S563 Q564 T582 V884 K885	R550-F569 HydrophobicContact CB-CB 4.01Å; R550-F569 HydrophobicContact CB-CD1 4.29Å; Y555-F569 HydrophobicContact CD2-CD1 4.48Å; Y555-F569 AromaticContact CD2-CE1 3.97Å; Y555-F569 HydrophobicContact CD2-CE1 3.97Å; Y555-F569 HydrophobicContact CD2-CZ 4.14Å; Y555-F569 HydrophobicContact CG-CE1 4.39Å; Y555-F569 HydrophobicContact CG-CZ 4.14Å; S563-F569 CarbonylContact O-C 3.52Å; S563-F569 VanDerWaalsContact O-CA 3.22Å; S563-F569 WeakPolarHBondContact O-CA 3.33Å; S563-F569 WeakPolarHBondContact O-CB 3.17Å; Q564-F569 HydrophobicContact CB-CB 4.13Å; F569-T582 HydrophobicContact CZ-CG2 4.31Å; F569-V884 HydrophobicContact CE1-CG2 3.9Å; F569-V884 HydrophobicContact CZ-CG2 3.53Å; F569-K885 HydrophobicContact CD1-CD 4.23Å; F569-K885 HydrophobicContact CE1-CD 3.76Å; F569-K885 HydrophobicContact CE1-CG 3.99Å; F569-K885 HydrophobicContact CE2-CD 4.35Å; F569-K885 HydrophobicContact CE2-CG 4.35Å; F569-K885 HydrophobicContact CZ-CD 3.82Å; F569-K885 HydrophobicContact CZ-CG 3.67Å; F569-K885 WeakPolarHBondContact O-CE 3.43Å; F569-K885 PolarHBondContact O-NZ 2.95Å
570	S	93.3	Very high	92.1	Very high	56 Å²	56	49.1 Å²	49.1	39%	0.392	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.1	178.7	-59.8	0	0	0	0	109.8	S563	S563-S570 PolarHBondContact N-O 3.17Å; S563-S570 PolarHBondContact O-N 2.87Å; S563-S570 PolarHBondContact OG-O 3.39Å
571	C	95	Very high	92	Very high	23 Å²	23	53.1 Å²	53.1	16%	0.155	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.8	177.3	-57.7	0	0	0	0	110.6	C556 E561 E581 C583	C556-C571 WeakPolarHBondContact CA-SG 3.14Å; C556-C571 HydrophobicContact CB-CB 3.71Å; C556-C571 WeakPolarHBondContact CB-SG 3.22Å; C556-C571 WeakPolarHBondContact SG-CA 3.45Å; C556-C571 WeakPolarHBondContact SG-CB 3.31Å; C556-C571 CovalentContact SG-SG 2.02Å; C556-C571 PolarHBondContact SG-SG 3.06Å; E561-C571 WeakPolarHBondContact O-CA 3.47Å; C571-E581 PolarHBondContact SG-O 3.47Å; C571-C583 VanDerWaalsContact CB-SG 3.53Å
572	D	95.8	Very high	91.9	Very high	78 Å²	78	46.1 Å²	46.1	42%	0.417	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	110.2	164.2	-170	-7.5	0	0	0	109.2	G560 E561 L574	G560-D572 VanDerWaalsContact CA-O 3.29Å; G560-D572 WeakPolarHBondContact CA-O 2.99Å; E561-D572 HydrophobicContact CB-CB 4.28Å; E561-D572 PolarHBondContact N-O 3.09Å; E561-D572 VanDerWaalsContact N-O 3.11Å; E561-D572 PolarHBondContact O-N 2.98Å; D572-L574 VanDerWaalsContact OD1-CB 3.26Å; D572-L574 WeakPolarHBondContact OD1-CB 3.23Å; D572-L574 VanDerWaalsContact OD1-CG 3.22Å; D572-L574 WeakPolarHBondContact OD1-CG 3.36Å; D572-L574 PolarHBondContact OD1-N 2.91Å
573	C	94.9	Very high	91.8	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.135	28%	0.282	C	S	.	.			trans	-93.8	1.4	-179.4	-47	0	0	0	0	113	G575 T576 Y578 G580 C583	C573-G575 PolarHBondContact O-N 2.81Å; C573-T576 WeakPolarHBondContact O-CB 3.11Å; C573-T576 WeakPolarHBondContact O-CG2 3.38Å; C573-T576 PolarHBondContact O-N 3.35Å; C573-T576 VanDerWaalsContact O-N 3.17Å; C573-T576 PolarHBondContact O-OG1 2.84Å; C573-Y578 WeakPolarHBondContact CB-O 3.42Å; C573-G580 PolarHBondContact SG-O 3.24Å; C573-C583 WeakPolarHBondContact CA-SG 3.1Å; C573-C583 HydrophobicContact CB-CB 3.82Å; C573-C583 WeakPolarHBondContact CB-SG 3.18Å; C573-C583 WeakPolarHBondContact SG-CA 3.28Å; C573-C583 WeakPolarHBondContact SG-CB 3.46Å; C573-C583 CovalentContact SG-SG 2.04Å; C573-C583 PolarHBondContact SG-SG 2.89Å
574	L	94.2	Very high	91.7	Very high	151 Å²	151	43 Å²	43	79%	0.791	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	132	-178	-68.3	173.5	0	0	0	111.3	D572 T576	D572-L574 VanDerWaalsContact OD1-CB 3.26Å; D572-L574 WeakPolarHBondContact OD1-CB 3.23Å; D572-L574 VanDerWaalsContact OD1-CG 3.22Å; D572-L574 WeakPolarHBondContact OD1-CG 3.36Å; D572-L574 PolarHBondContact OD1-N 2.91Å; L574-T576 PolarHBondContact O-N 3.21Å
575	G	89.4	Confident	91.4	Very high	91 Å²	91	42.9 Å²	42.9	94%	0.938	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	0.3	-180	0	0	0	0	0	115.4	C573	C573-G575 PolarHBondContact O-N 2.81Å
576	T	91.6	Very high	91.4	Very high	29 Å²	29	42.9 Å²	42.9	18%	0.178	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-25.6	176.9	66.6	0	0	0	0	113.2	C573 L574 Y578	C573-T576 WeakPolarHBondContact O-CB 3.11Å; C573-T576 WeakPolarHBondContact O-CG2 3.38Å; C573-T576 PolarHBondContact O-N 3.35Å; C573-T576 VanDerWaalsContact O-N 3.17Å; C573-T576 PolarHBondContact O-OG1 2.84Å; L574-T576 PolarHBondContact O-N 3.21Å; T576-Y578 VanDerWaalsContact O-CD2 3.31Å; T576-Y578 WeakPolarHBondContact O-CD2 3.33Å; T576-Y578 PolarHBondContact OG1-N 2.92Å; T576-Y578 VanDerWaalsContact OG1-N 3.11Å
577	G	91.4	Very high	91.4	Very high	10 Å²	10	46.4 Å²	46.4	10%	0.103	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	3.3	-168.9	0	0	0	0	0	114.1	L587	G577-L587 VanDerWaalsContact O-CB 3.3Å; G577-L587 WeakPolarHBondContact O-CB 3.41Å; G577-L587 WeakPolarHBondContact O-CG 3.49Å; G577-L587 PolarHBondContact O-N 3.03Å
578	Y	93.3	Very high	91.6	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.02	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	167.1	-178.2	-62.2	-96	0	0	0	112.2	H558 C573 T576 C583 S585 D608 L615 G616	H558-Y578 HydrophobicContact CB-CD2 3.39Å; H558-Y578 HydrophobicContact CB-CE2 3.62Å; H558-Y578 HydrophobicContact CB-CG 3.96Å; H558-Y578 AromaticContact CD2-CE1 3.94Å; H558-Y578 AromaticContact CD2-CE2 3.69Å; H558-Y578 AromaticContact CD2-CZ 3.56Å; H558-Y578 AromaticContact CE1-CD1 3.72Å; H558-Y578 AromaticContact CE1-CE1 3.6Å; H558-Y578 AromaticContact CG-CD1 3.89Å; H558-Y578 AromaticContact CG-CD2 3.46Å; H558-Y578 VanDerWaalsContact CG-CD2 3.46Å; H558-Y578 AromaticContact CG-CE1 3.87Å; H558-Y578 AromaticContact CG-CE2 3.44Å; H558-Y578 VanDerWaalsContact CG-CE2 3.44Å; H558-Y578 AromaticContact CG-CG 3.72Å; H558-Y578 AromaticContact CG-CZ 3.66Å; H558-Y578 AromaticContact ND1-CD1 3.41Å; H558-Y578 WeakPolarHBondContact ND1-CD1 3.24Å; H558-Y578 AromaticContact ND1-CD2 3.8Å; H558-Y578 AromaticContact ND1-CE1 3.65Å; H558-Y578 AromaticContact ND1-CG 3.51Å; H558-Y578 AromaticContact ND1-CZ 3.95Å; H558-Y578 AromaticContact NE2-CE1 3.83Å; H558-Y578 AromaticContact NE2-CZ 3.87Å; C573-Y578 WeakPolarHBondContact CB-O 3.42Å; T576-Y578 VanDerWaalsContact O-CD2 3.31Å; T576-Y578 WeakPolarHBondContact O-CD2 3.33Å; T576-Y578 PolarHBondContact OG1-N 2.92Å; T576-Y578 VanDerWaalsContact OG1-N 3.11Å; Y578-C583 VanDerWaalsContact CB-O 3.24Å; Y578-C583 WeakPolarHBondContact CB-O 3.27Å; Y578-S585 CarbonylContact C-O 3.45Å; Y578-S585 VanDerWaalsContact CA-O 3.28Å; Y578-S585 WeakPolarHBondContact CA-O 3.46Å; Y578-S585 WeakPolarHBondContact CB-O 3.13Å; Y578-D608 VanDerWaalsContact CE1-OD2 3.27Å; Y578-D608 WeakPolarHBondContact CE1-OD2 3.3Å; Y578-D608 VanDerWaalsContact CZ-OD2 3.27Å; Y578-D608 PolarHBondContact OH-OD2 3.28Å; Y578-L615 PolarHBondContact OH-O 3.4Å; Y578-G616 WeakPolarHBondContact OH-CA 3.38Å
579	T	91.2	Very high	91.6	Very high	69 Å²	69	45.4 Å²	45.4	42%	0.423	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	-177.1	-178.7	-162.5	0	0	0	0	111.6	C583 H584 S585 L587	T579-C583 CarbonylContact O-C 3.57Å; T579-C583 WeakPolarHBondContact O-CA 3.44Å; T579-H584 PolarHBondContact O-N 3.29Å; T579-S585 PolarHBondContact N-O 2.72Å; T579-S585 PolarHBondContact O-N 3.48Å; T579-S585 VanDerWaalsContact O-N 3.08Å; T579-L587 HydrophobicContact CG2-CD2 3.8Å; T579-L587 HydrophobicContact CG2-CG 4.48Å
580	G	87.8	Confident	91.4	Very high	31 Å²	31	48.6 Å²	48.6	32%	0.32	29%	0.293	S	S	.	.	S	Bend	trans	89.5	172.9	-172.7	0	0	0	0	0	113	C573 T582 C583	C573-G580 PolarHBondContact SG-O 3.24Å; G580-T582 PolarHBondContact O-N 3.36Å; G580-C583 PolarHBondContact O-N 2.9Å
581	E	89.9	Confident	91.3	Very high	93 Å²	93	46.2 Å²	46.2	44%	0.435	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.5	-174.6	-71.5	-70.7	138.4	0	0	113.8	C571 K885	C571-E581 PolarHBondContact SG-O 3.47Å; E581-K885 HydrophobicContact CB-CB 3.97Å; E581-K885 HydrophobicContact CB-CG 4.21Å; E581-K885 HydrophobicContact CG-CB 4.42Å; E581-K885 WeakPolarHBondContact OE2-CE 3.22Å; E581-K885 IonicContact OE2-NZ 3.29Å
582	T	92.3	Very high	91.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	11.5	-179.4	55.7	0	0	0	0	113.2	E557 F569 G580 H584 N883 V884 K885	E557-T582 PolarHBondContact N-O 2.73Å; F569-T582 HydrophobicContact CZ-CG2 4.31Å; G580-T582 PolarHBondContact O-N 3.36Å; T582-H584 PolarHBondContact O-N 2.71Å; T582-N883 HydrophobicContact CG2-CB 4.34Å; T582-V884 HydrophobicContact CG2-CG2 3.92Å; T582-K885 HydrophobicContact CG2-CG 4.23Å
583	C	92.9	Very high	90.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	57.2	32.5	-173.2	-43.5	0	0	0	0	113.5	H558 C571 C573 Y578 T579 G580	H558-C583 PolarHBondContact ND1-O 2.9Å; C571-C583 VanDerWaalsContact CB-SG 3.53Å; C573-C583 WeakPolarHBondContact CA-SG 3.1Å; C573-C583 HydrophobicContact CB-CB 3.82Å; C573-C583 WeakPolarHBondContact CB-SG 3.18Å; C573-C583 WeakPolarHBondContact SG-CA 3.28Å; C573-C583 WeakPolarHBondContact SG-CB 3.46Å; C573-C583 CovalentContact SG-SG 2.04Å; C573-C583 PolarHBondContact SG-SG 2.89Å; Y578-C583 VanDerWaalsContact CB-O 3.24Å; Y578-C583 WeakPolarHBondContact CB-O 3.27Å; T579-C583 CarbonylContact O-C 3.57Å; T579-C583 WeakPolarHBondContact O-CA 3.44Å; G580-C583 PolarHBondContact O-N 2.9Å
584	H	90.6	Very high	90.4	Very high	13 Å²	13	41.9 Å²	41.9	6%	0.06	25%	0.25	C	C	.	.			trans	-82.4	-40.3	-178.2	-175.7	62.9	0	0	0	112.8	E557 T579 T582 S612 T813 D815	E557-H584 VanDerWaalsContact CD-ND1 3.33Å; E557-H584 IonicContact OE1-CG 3.75Å; E557-H584 IonicContact OE1-ND1 3.78Å; E557-H584 PolarHBondContact OE1-ND1 2.85Å; E557-H584 IonicContact OE2-CE1 3.8Å; E557-H584 IonicContact OE2-CG 2.74Å; E557-H584 IonicContact OE2-ND1 3.82Å; E557-H584 PolarHBondContact OE2-ND1 3.03Å; T579-H584 PolarHBondContact O-N 3.29Å; T582-H584 PolarHBondContact O-N 2.71Å; H584-S612 WeakPolarHBondContact CE1-CB 3.29Å; H584-S612 WeakPolarHBondContact O-CB 3.24Å; H584-S612 PolarHBondContact O-OG 3.3Å; H584-T813 HydrophobicContact CB-CG2 4.49Å; H584-T813 PolarHBondContact CE1-OG1 2.82Å; H584-D815 IonicContact CD2-OD1 2.68Å; H584-D815 PolarHBondContact CD2-OD1 3.23Å; H584-D815 IonicContact CD2-OD2 3.99Å; H584-D815 PolarHBondContact CD2-OD2 3.31Å; H584-D815 VanDerWaalsContact CD2-OD2 3.29Å; H584-D815 IonicContact NE2-OD1 3.75Å; H584-D815 PolarHBondContact NE2-OD1 3.47Å; H584-D815 IonicContact NE2-OD2 2.74Å; H584-D815 PolarHBondContact NE2-OD2 2.98Å
585	S	87.2	Confident	90	Very high	31 Å²	31	35.4 Å²	35.4	22%	0.217	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.8	-172.6	-76.2	0	0	0	0	111.4	Y578 T579	Y578-S585 CarbonylContact C-O 3.45Å; Y578-S585 VanDerWaalsContact CA-O 3.28Å; Y578-S585 WeakPolarHBondContact CA-O 3.46Å; Y578-S585 WeakPolarHBondContact CB-O 3.13Å; T579-S585 PolarHBondContact N-O 2.72Å; T579-S585 PolarHBondContact O-N 3.48Å; T579-S585 VanDerWaalsContact O-N 3.08Å
586	S	89.9	Confident	89.8	Confident	28 Å²	28	33.9 Å²	33.9	20%	0.196	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	142.1	175.1	-167.5	0	0	0	0	112	Y588 D608	S586-Y588 VanDerWaalsContact C-N 3.27Å; S586-Y588 PolarHBondContact OG-N 3.27Å; S586-Y588 PolarHBondContact OG-O 3.05Å; S586-D608 WeakPolarHBondContact CB-OD2 3.48Å; S586-D608 VanDerWaalsContact OG-CB 3.25Å; S586-D608 WeakPolarHBondContact OG-CB 3.47Å; S586-D608 PolarHBondContact OG-OD2 3.37Å
587	L	90.2	Very high	89.2	Confident	98 Å²	98	36.7 Å²	36.7	51%	0.513	19%	0.194	S	C	.	.	S	Bend	trans	-77.6	-15.8	170.4	-71	172.8	0	0	0	112.7	G577 T579	G577-L587 VanDerWaalsContact O-CB 3.3Å; G577-L587 WeakPolarHBondContact O-CB 3.41Å; G577-L587 WeakPolarHBondContact O-CG 3.49Å; G577-L587 PolarHBondContact O-N 3.03Å; T579-L587 HydrophobicContact CG2-CD2 3.8Å; T579-L587 HydrophobicContact CG2-CG 4.48Å
588	Y	90.9	Very high	88.7	Confident	76 Å²	76	43 Å²	43	30%	0.298	22%	0.215	S	C	.	.	S	Bend	trans	-112.5	154.7	-171.5	-54.2	-66.6	0	0	0	111	S586 Y606 P617	S586-Y588 VanDerWaalsContact C-N 3.27Å; S586-Y588 PolarHBondContact OG-N 3.27Å; S586-Y588 PolarHBondContact OG-O 3.05Å; Y588-Y606 VanDerWaalsContact CD1-CB 3.43Å; Y588-Y606 HydrophobicContact CD1-CG 4.39Å; Y588-Y606 HydrophobicContact CE1-CD2 4.13Å; Y588-Y606 HydrophobicContact CE1-CG 4.05Å; Y588-Y606 HydrophobicContact CE2-CG 4.35Å; Y588-P617 HydrophobicContact CD2-CB 3.45Å; Y588-P617 VanDerWaalsContact CD2-CB 3.45Å; Y588-P617 HydrophobicContact CD2-CG 3.68Å; Y588-P617 HydrophobicContact CE2-CB 3.91Å; Y588-P617 HydrophobicContact CE2-CG 3.7Å; Y588-P617 HydrophobicContact CG-CB 4.36Å
589	E	89.4	Confident	88.3	Confident	37 Å²	37	45.9 Å²	45.9	17%	0.173	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-78.1	158.1	177.7	-52.9	-58.5	122.8	0	0	111.1	S591 A594 H595 R598 I607 D608	E589-S591 VanDerWaalsContact C-N 3.28Å; E589-S591 PolarHBondContact O-N 2.78Å; E589-A594 HydrophobicContact CB-CB 3.7Å; E589-A594 HydrophobicContact CG-CB 4.27Å; E589-H595 VanDerWaalsContact CG-CE1 3.43Å; E589-H595 WeakPolarHBondContact CG-CE1 3.36Å; E589-R598 IonicContact OE1-CZ 2.8Å; E589-R598 IonicContact OE1-NE 3.91Å; E589-R598 PolarHBondContact OE1-NE 3.5Å; E589-R598 VanDerWaalsContact OE1-NE 3.12Å; E589-R598 IonicContact OE1-NH1 3.47Å; E589-R598 PolarHBondContact OE1-NH1 3.39Å; E589-R598 IonicContact OE1-NH2 3.06Å; E589-R598 PolarHBondContact OE1-NH2 2.83Å; E589-R598 IonicContact OE2-CZ 3.88Å; E589-R598 VanDerWaalsContact OE2-CZ 3.29Å; E589-R598 IonicContact OE2-NE 3.94Å; E589-R598 PolarHBondContact OE2-NE 2.91Å; E589-R598 IonicContact OE2-NH2 3.38Å; E589-R598 PolarHBondContact OE2-NH2 2.88Å; E589-I607 VanDerWaalsContact O-CA 3.27Å; E589-I607 WeakPolarHBondContact O-CA 3.46Å; E589-D608 PolarHBondContact O-N 3.25Å
590	Q	88.6	Confident	88.2	Confident	81 Å²	81	45.1 Å²	45.1	38%	0.379	24%	0.239	S	C	.	.	S	Bend	trans	-71	-22.3	-177.1	-61.6	-176	-40.2	0	0	114.2	D608 A609 L671	Q590-D608 WeakPolarHBondContact CA-O 3.47Å; Q590-D608 WeakPolarHBondContact CG-O 3.42Å; Q590-A609 WeakPolarHBondContact O-CA 3.42Å; Q590-L671 HydrophobicContact CB-CD2 4.01Å; Q590-L671 WeakPolarHBondContact O-CD2 3.44Å
591	S	91.3	Very high	88.4	Confident	6 Å²	6	48 Å²	48	4%	0.042	25%	0.252	C	S	.	.	S	Bend	trans	-152.9	164.5	-176.4	73.7	0	0	0	0	112.8	E589 E593 A594 H595 D787	E589-S591 VanDerWaalsContact C-N 3.28Å; E589-S591 PolarHBondContact O-N 2.78Å; S591-E593 PolarHBondContact O-N 2.95Å; S591-E593 PolarHBondContact OG-N 2.94Å; S591-A594 WeakPolarHBondContact O-CB 3.43Å; S591-A594 PolarHBondContact O-N 2.85Å; S591-A594 PolarHBondContact OG-N 2.83Å; S591-A594 VanDerWaalsContact OG-N 3.07Å; S591-H595 PolarHBondContact O-N 3.13Å; S591-D787 VanDerWaalsContact CB-OD2 3.26Å; S591-D787 WeakPolarHBondContact CB-OD2 3.49Å; S591-D787 PolarHBondContact OG-OD2 2.93Å
592	C	91.7	Very high	88.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-32.5	169.3	-67.8	0	0	0	0	111.9	A594 H595 K596 C622 M624 A628 T630	C592-A594 VanDerWaalsContact C-N 3.34Å; C592-A594 PolarHBondContact O-N 3.07Å; C592-H595 PolarHBondContact O-N 3.34Å; C592-K596 PolarHBondContact O-N 2.96Å; C592-C622 VanDerWaalsContact CA-SG 3.55Å; C592-C622 HydrophobicContact CB-CB 3.6Å; C592-C622 WeakPolarHBondContact CB-SG 3.48Å; C592-C622 WeakPolarHBondContact SG-CA 3.49Å; C592-C622 WeakPolarHBondContact SG-CB 3.28Å; C592-C622 CovalentContact SG-SG 2.03Å; C592-C622 PolarHBondContact SG-SG 2.85Å; C592-M624 HydrophobicContact CB-CE 3.98Å; C592-M624 HydrophobicContact CB-SD 4.21Å; C592-M624 WeakPolarHBondContact O-CE 3.21Å; C592-M624 VanDerWaalsContact O-SD 3.41Å; C592-A628 HydrophobicContact CB-CB 4.05Å; C592-T630 PolarHBondContact SG-OG1 2.97Å
593	E	88.5	Confident	88.8	Confident	26 Å²	26	46.6 Å²	46.6	12%	0.121	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-40.4	176.9	-163.5	67.9	-134.7	0	0	110.8	S591 H595 K596 H597 A628 D787	S591-E593 PolarHBondContact O-N 2.95Å; S591-E593 PolarHBondContact OG-N 2.94Å; E593-H595 PolarHBondContact O-N 2.72Å; E593-K596 WeakPolarHBondContact O-CB 3.35Å; E593-K596 PolarHBondContact O-N 3.05Å; E593-K596 VanDerWaalsContact O-N 3.16Å; E593-H597 PolarHBondContact O-CD2 2.98Å; E593-H597 VanDerWaalsContact O-CD2 3.23Å; E593-H597 PolarHBondContact O-N 3.45Å; E593-H597 IonicContact OE1-NE2 3.48Å; E593-A628 VanDerWaalsContact CA-CB 3.49Å; E593-A628 HydrophobicContact CB-CB 4.05Å; E593-A628 WeakPolarHBondContact OE2-CB 2.95Å; E593-A628 PolarHBondContact OE2-N 2.82Å; E593-D787 HydrophobicContact CB-CB 3.68Å; E593-D787 HydrophobicContact CG-CB 4.14Å
594	A	85.2	Confident	88.9	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.033	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-43.7	173.6	0	0	0	0	0	112.4	E589 S591 C592 K596 H597 R598 F790	E589-A594 HydrophobicContact CB-CB 3.7Å; E589-A594 HydrophobicContact CG-CB 4.27Å; S591-A594 WeakPolarHBondContact O-CB 3.43Å; S591-A594 PolarHBondContact O-N 2.85Å; S591-A594 PolarHBondContact OG-N 2.83Å; S591-A594 VanDerWaalsContact OG-N 3.07Å; C592-A594 VanDerWaalsContact C-N 3.34Å; C592-A594 PolarHBondContact O-N 3.07Å; A594-K596 PolarHBondContact O-N 3.48Å; A594-H597 PolarHBondContact O-N 3.26Å; A594-R598 PolarHBondContact O-N 3.22Å; A594-F790 HydrophobicContact CB-CE2 3.69Å; A594-F790 HydrophobicContact CB-CZ 3.66Å
595	H	86.6	Confident	89	Confident	15 Å²	15	53.8 Å²	53.8	7%	0.069	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-40.4	174	-82.8	-61.5	0	0	0	112.7	E589 S591 C592 E593 H597 R598 N600 Y606 M624	E589-H595 VanDerWaalsContact CG-CE1 3.43Å; E589-H595 WeakPolarHBondContact CG-CE1 3.36Å; S591-H595 PolarHBondContact O-N 3.13Å; C592-H595 PolarHBondContact O-N 3.34Å; E593-H595 PolarHBondContact O-N 2.72Å; H595-H597 VanDerWaalsContact C-N 3.33Å; H595-H597 PolarHBondContact O-N 3.48Å; H595-R598 PolarHBondContact O-N 3.38Å; H595-N600 HydrophobicContact CB-CB 4.33Å; H595-N600 PolarHBondContact ND1-ND2 3.13Å; H595-N600 VanDerWaalsContact ND1-ND2 3.18Å; H595-N600 WeakPolarHBondContact O-CB 3.37Å; H595-N600 PolarHBondContact O-N 2.82Å; H595-Y606 PolarHBondContact NE2-O 3.18Å; H595-M624 HydrophobicContact CB-CE 3.56Å
596	K	85.9	Confident	89.4	Confident	58 Å²	58	57.6 Å²	57.6	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-42.3	176.1	-174.1	-178.7	171.1	-173.2	0	111.3	C592 E593 A594 R598 G599 M624 T625 D626 A628	C592-K596 PolarHBondContact O-N 2.96Å; E593-K596 WeakPolarHBondContact O-CB 3.35Å; E593-K596 PolarHBondContact O-N 3.05Å; E593-K596 VanDerWaalsContact O-N 3.16Å; A594-K596 PolarHBondContact O-N 3.48Å; K596-R598 PolarHBondContact O-N 2.78Å; K596-G599 WeakPolarHBondContact O-CA 3.44Å; K596-G599 PolarHBondContact O-N 3.01Å; K596-M624 HydrophobicContact CB-CE 4.27Å; K596-M624 HydrophobicContact CB-SD 3.79Å; K596-M624 HydrophobicContact CG-CB 4.44Å; K596-M624 HydrophobicContact CG-SD 4.43Å; K596-T625 PolarHBondContact NZ-O 3.19Å; K596-D626 PolarHBondContact NZ-O 3.28Å; K596-A628 HydrophobicContact CB-CB 4.19Å; K596-A628 HydrophobicContact CD-CB 4.03Å
597	H	79.4	Confident	89.5	Confident	89 Å²	89	56.3 Å²	56.3	41%	0.412	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-22.2	177.3	-81.2	-65.4	0	0	0	114	E593 A594 H595 G599 F790 W791	E593-H597 PolarHBondContact O-CD2 2.98Å; E593-H597 VanDerWaalsContact O-CD2 3.23Å; E593-H597 PolarHBondContact O-N 3.45Å; E593-H597 IonicContact OE1-NE2 3.48Å; A594-H597 PolarHBondContact O-N 3.26Å; H595-H597 VanDerWaalsContact C-N 3.33Å; H595-H597 PolarHBondContact O-N 3.48Å; H597-G599 VanDerWaalsContact C-N 3.29Å; H597-F790 HydrophobicContact CB-CE1 4.49Å; H597-F790 AromaticContact CD2-CD1 3.94Å; H597-W791 AromaticContact NE2-NE1 3.83Å
598	R	80.3	Confident	89.7	Confident	143 Å²	143	51.7 Å²	51.7	54%	0.54	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.5	169.7	-67.5	-167.3	179.9	-154	5.4	114.1	E589 A594 H595 K596	E589-R598 IonicContact OE1-CZ 2.8Å; E589-R598 IonicContact OE1-NE 3.91Å; E589-R598 PolarHBondContact OE1-NE 3.5Å; E589-R598 VanDerWaalsContact OE1-NE 3.12Å; E589-R598 IonicContact OE1-NH1 3.47Å; E589-R598 PolarHBondContact OE1-NH1 3.39Å; E589-R598 IonicContact OE1-NH2 3.06Å; E589-R598 PolarHBondContact OE1-NH2 2.83Å; E589-R598 IonicContact OE2-CZ 3.88Å; E589-R598 VanDerWaalsContact OE2-CZ 3.29Å; E589-R598 IonicContact OE2-NE 3.94Å; E589-R598 PolarHBondContact OE2-NE 2.91Å; E589-R598 IonicContact OE2-NH2 3.38Å; E589-R598 PolarHBondContact OE2-NH2 2.88Å; A594-R598 PolarHBondContact O-N 3.22Å; H595-R598 PolarHBondContact O-N 3.38Å; K596-R598 PolarHBondContact O-N 2.78Å
599	G	84.7	Confident	89.7	Confident	65 Å²	65	48.5 Å²	48.5	67%	0.67	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	17.6	-178.2	0	0	0	0	0	114.5	K596 H597	K596-G599 WeakPolarHBondContact O-CA 3.44Å; K596-G599 PolarHBondContact O-N 3.01Å; H597-G599 VanDerWaalsContact C-N 3.29Å
600	N	88.2	Confident	89.6	Confident	52 Å²	52	48.7 Å²	48.7	28%	0.278	26%	0.259	S	S	.	.			trans	-75.8	140.6	179.3	-67.5	2.4	0	0	0	111.9	H595 Y605	H595-N600 HydrophobicContact CB-CB 4.33Å; H595-N600 PolarHBondContact ND1-ND2 3.13Å; H595-N600 VanDerWaalsContact ND1-ND2 3.18Å; H595-N600 WeakPolarHBondContact O-CB 3.37Å; H595-N600 PolarHBondContact O-N 2.82Å; N600-Y605 HydrophobicContact CB-CE1 4.29Å
601	P	92.8	Very high	89.5	Confident	92 Å²	92	45.1 Å²	45.1	60%	0.597	24%	0.243	S	C	*	.			trans	-76.9	175.3	176.6	32.9	-36.4	0	0	0	113	Y605	P601-Y605 VanDerWaalsContact O-CE2 3.27Å; P601-Y605 WeakPolarHBondContact O-CE2 3.05Å; P601-Y605 PolarHBondContact O-OH 2.76Å
602	S	94.9	Very high	89.2	Confident	49 Å²	49	46.3 Å²	46.3	34%	0.343	25%	0.252	S	S	.	.	S	Bend	trans	-62.8	139	171.9	-57.2	0	0	0	0	112.1	C622 M624	S602-C622 CarbonylContact C-O 3.6Å; S602-C622 VanDerWaalsContact CA-O 3.23Å; S602-C622 WeakPolarHBondContact CA-O 3.5Å; S602-C622 WeakPolarHBondContact CB-O 3.42Å; S602-M624 PolarHBondContact OG-N 2.81Å
603	G	95.3	Very high	89	Confident	16 Å²	16	47.1 Å²	47.1	17%	0.165	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171	-174	-175.8	0	0	0	0	0	113.9	Y605 C622	G603-Y605 WeakPolarHBondContact O-CD2 3.41Å; G603-C622 PolarHBondContact N-O 2.82Å; G603-C622 PolarHBondContact O-N 2.92Å
604	L	95	Very high	88.8	Confident	115 Å²	115	51.7 Å²	51.7	60%	0.602	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	126.4	171.4	-73.7	168.6	0	0	0	109.8	L619 V620 Y621	L604-L619 HydrophobicContact CB-CD1 4.24Å; L604-L619 HydrophobicContact CD2-CD2 4.46Å; L604-L619 HydrophobicContact CD2-CG 4.39Å; L604-V620 WeakPolarHBondContact CA-O 3.36Å; L604-Y621 HydrophobicContact CD2-CD2 4.15Å; L604-Y621 HydrophobicContact CG-CD2 4.23Å
605	Y	94.1	Very high	89	Confident	49 Å²	49	54 Å²	54	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.2	179.4	-66.8	-85.7	0	0	0	110	N600 P601 G603 V620 C622	N600-Y605 HydrophobicContact CB-CE1 4.29Å; P601-Y605 VanDerWaalsContact O-CE2 3.27Å; P601-Y605 WeakPolarHBondContact O-CE2 3.05Å; P601-Y605 PolarHBondContact O-OH 2.76Å; G603-Y605 WeakPolarHBondContact O-CD2 3.41Å; Y605-V620 PolarHBondContact N-O 2.86Å; Y605-V620 WeakPolarHBondContact O-CG2 3.38Å; Y605-V620 PolarHBondContact O-N 2.83Å; Y605-V620 VanDerWaalsContact O-O 3.14Å; Y605-C622 HydrophobicContact CD2-CB 3.79Å; Y605-C622 HydrophobicContact CE2-CB 4.36Å
606	Y	94.3	Very high	89.2	Confident	111 Å²	111	54.7 Å²	54.7	44%	0.435	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134	161.9	-76.6	-88.1	0	0	0	108.1	Y588 H595 F618 L619	Y588-Y606 VanDerWaalsContact CD1-CB 3.43Å; Y588-Y606 HydrophobicContact CD1-CG 4.39Å; Y588-Y606 HydrophobicContact CE1-CD2 4.13Å; Y588-Y606 HydrophobicContact CE1-CG 4.05Å; Y588-Y606 HydrophobicContact CE2-CG 4.35Å; H595-Y606 PolarHBondContact NE2-O 3.18Å; Y606-F618 WeakPolarHBondContact CA-O 3.29Å; Y606-L619 HydrophobicContact CD1-CB 4.32Å; Y606-L619 HydrophobicContact CD2-CD1 3.84Å; Y606-L619 HydrophobicContact CE1-CB 4.08Å; Y606-L619 HydrophobicContact CE1-CD1 4.46Å; Y606-L619 HydrophobicContact CE2-CD1 3.77Å; Y606-L619 HydrophobicContact CG-CD1 4.21Å
607	I	93.1	Very high	89.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.1	170.2	63.2	166.7	0	0	0	109.7	E589 P617 F618 V620 T630	E589-I607 VanDerWaalsContact O-CA 3.27Å; E589-I607 WeakPolarHBondContact O-CA 3.46Å; I607-P617 WeakPolarHBondContact O-CA 3.26Å; I607-F618 HydrophobicContact CD1-CE1 4.15Å; I607-F618 HydrophobicContact CD1-CE2 4.14Å; I607-F618 HydrophobicContact CD1-CZ 3.65Å; I607-F618 HydrophobicContact CG1-CD1 4.38Å; I607-F618 HydrophobicContact CG1-CE1 3.91Å; I607-F618 HydrophobicContact CG1-CE2 4.18Å; I607-F618 HydrophobicContact CG1-CZ 3.8Å; I607-F618 PolarHBondContact N-O 2.82Å; I607-F618 PolarHBondContact O-N 3.48Å; I607-V620 HydrophobicContact CB-CG2 4.35Å; I607-V620 HydrophobicContact CD1-CB 4.48Å; I607-V620 HydrophobicContact CD1-CG1 3.87Å; I607-V620 HydrophobicContact CD1-CG2 3.83Å; I607-V620 HydrophobicContact CG1-CG1 3.96Å; I607-V620 HydrophobicContact CG1-CG2 3.75Å; I607-V620 HydrophobicContact CG2-CG2 3.74Å; I607-T630 HydrophobicContact CD1-CG2 3.94Å
608	D	93.3	Very high	90.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.294	C	S	.	.			trans	-124.9	85.2	179	-167.7	-15.8	0	0	0	110.3	Y578 S586 E589 Q590 D610 G611 P617	Y578-D608 VanDerWaalsContact CE1-OD2 3.27Å; Y578-D608 WeakPolarHBondContact CE1-OD2 3.3Å; Y578-D608 VanDerWaalsContact CZ-OD2 3.27Å; Y578-D608 PolarHBondContact OH-OD2 3.28Å; S586-D608 WeakPolarHBondContact CB-OD2 3.48Å; S586-D608 VanDerWaalsContact OG-CB 3.25Å; S586-D608 WeakPolarHBondContact OG-CB 3.47Å; S586-D608 PolarHBondContact OG-OD2 3.37Å; E589-D608 PolarHBondContact O-N 3.25Å; Q590-D608 WeakPolarHBondContact CA-O 3.47Å; Q590-D608 WeakPolarHBondContact CG-O 3.42Å; D608-D610 PolarHBondContact O-N 3.45Å; D608-D610 VanDerWaalsContact O-N 3.14Å; D608-G611 PolarHBondContact O-N 2.93Å; D608-G611 PolarHBondContact OD1-N 3.38Å; D608-G611 VanDerWaalsContact OD2-O 3.1Å; D608-P617 HydrophobicContact CB-CB 4.23Å
609	A	90.4	Very high	90.9	Very high	9 Å²	9	46.6 Å²	46.6	7%	0.074	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.1	-162.6	0	0	0	0	0	115.4	Q590 F618 A667 A668	Q590-A609 WeakPolarHBondContact O-CA 3.42Å; A609-F618 HydrophobicContact CB-CE1 4.24Å; A609-A667 HydrophobicContact CB-CB 3.77Å; A609-A668 HydrophobicContact CB-CB 3.83Å
610	D	88.1	Confident	91.4	Very high	42 Å²	42	43.7 Å²	43.7	23%	0.225	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-1.2	172.1	58.4	-40	0	0	0	113.2	D608 S612 G613 L615	D608-D610 PolarHBondContact O-N 3.45Å; D608-D610 VanDerWaalsContact O-N 3.14Å; D610-S612 PolarHBondContact O-N 2.84Å; D610-G613 PolarHBondContact O-N 2.92Å; D610-G613 VanDerWaalsContact OD2-CA 3.26Å; D610-G613 WeakPolarHBondContact OD2-CA 3.47Å; D610-L615 WeakPolarHBondContact OD1-CB 2.95Å; D610-L615 WeakPolarHBondContact OD2-CB 3.01Å; D610-L615 VanDerWaalsContact OD2-CG 3.31Å; D610-L615 WeakPolarHBondContact OD2-CG 3.3Å; D610-L615 PolarHBondContact OD2-N 3.45Å
611	G	86.9	Confident	91.7	Very high	5 Å²	5	46 Å²	46	5%	0.052	26%	0.263	C	S	.	.	S	Bend	trans	64.3	-115.4	178.9	0	0	0	0	0	111.4	D608 G613	D608-G611 PolarHBondContact O-N 2.93Å; D608-G611 PolarHBondContact OD1-N 3.38Å; D608-G611 VanDerWaalsContact OD2-O 3.1Å; G611-G613 PolarHBondContact O-N 2.77Å
612	S	85.6	Confident	91.8	Very high	31 Å²	31	41.6 Å²	41.6	22%	0.217	24%	0.235	C	C	.	.	S	Bend	trans	-82	18.9	178.6	-61.4	0	0	0	0	113.8	H584 D610 D815	H584-S612 WeakPolarHBondContact CE1-CB 3.29Å; H584-S612 WeakPolarHBondContact O-CB 3.24Å; H584-S612 PolarHBondContact O-OG 3.3Å; D610-S612 PolarHBondContact O-N 2.84Å; S612-D815 PolarHBondContact OG-OD2 3.44Å
613	G	85.9	Confident	91.7	Very high	17 Å²	17	41.9 Å²	41.9	18%	0.175	23%	0.232	C	C	.	.	S	Bend	trans	-78.3	174.5	172.3	0	0	0	0	0	112.5	H558 D610 G611 L615	H558-G613 PolarHBondContact NE2-O 2.76Å; D610-G613 PolarHBondContact O-N 2.92Å; D610-G613 VanDerWaalsContact OD2-CA 3.26Å; D610-G613 WeakPolarHBondContact OD2-CA 3.47Å; G611-G613 PolarHBondContact O-N 2.77Å; G613-L615 PolarHBondContact O-N 2.8Å
614	P	85.6	Confident	91.4	Very high	123 Å²	123	42.2 Å²	42.2	80%	0.799	23%	0.23	S	C	*	.	S	Bend	trans	-73.5	-6.1	-170.9	31.4	-37.3	0	0	0	115
615	L	89.6	Confident	90.8	Very high	52 Å²	52	40.7 Å²	40.7	27%	0.272	23%	0.225	S	C	.	.	S	Bend	trans	-91.3	133.6	-178.5	-48.3	167.7	0	0	0	109.9	Y578 D610 G613 G663 Q664 A667	Y578-L615 PolarHBondContact OH-O 3.4Å; D610-L615 WeakPolarHBondContact OD1-CB 2.95Å; D610-L615 WeakPolarHBondContact OD2-CB 3.01Å; D610-L615 VanDerWaalsContact OD2-CG 3.31Å; D610-L615 WeakPolarHBondContact OD2-CG 3.3Å; D610-L615 PolarHBondContact OD2-N 3.45Å; G613-L615 PolarHBondContact O-N 2.8Å; L615-G663 VanDerWaalsContact CD1-C 3.46Å; L615-G663 WeakPolarHBondContact CD1-O 3.37Å; L615-Q664 HydrophobicContact CB-CG 4.19Å; L615-A667 HydrophobicContact CD1-CB 4.03Å
616	G	89.6	Confident	89.8	Confident	29 Å²	29	45.5 Å²	45.5	30%	0.299	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-69.4	167.1	177.3	0	0	0	0	0	113.6	Y578 Q664	Y578-G616 WeakPolarHBondContact OH-CA 3.38Å; G616-Q664 PolarHBondContact O-NE2 2.86Å
617	P	93.3	Very high	89.1	Confident	27 Å²	27	41.4 Å²	41.4	18%	0.175	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70	156.5	173.6	29.2	-35.6	0	0	0	112.2	Y588 I607 D608 Q664	Y588-P617 HydrophobicContact CD2-CB 3.45Å; Y588-P617 VanDerWaalsContact CD2-CB 3.45Å; Y588-P617 HydrophobicContact CD2-CG 3.68Å; Y588-P617 HydrophobicContact CE2-CB 3.91Å; Y588-P617 HydrophobicContact CE2-CG 3.7Å; Y588-P617 HydrophobicContact CG-CB 4.36Å; I607-P617 WeakPolarHBondContact O-CA 3.26Å; D608-P617 HydrophobicContact CB-CB 4.23Å; P617-Q664 PolarHBondContact O-NE2 3.07Å
618	F	93.8	Very high	88.9	Confident	11 Å²	11	41.4 Å²	41.4	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.8	177.5	66.7	-77.6	0	0	0	112.4	Y606 I607 A609 V620 A660 Q664 A668	Y606-F618 WeakPolarHBondContact CA-O 3.29Å; I607-F618 HydrophobicContact CD1-CE1 4.15Å; I607-F618 HydrophobicContact CD1-CE2 4.14Å; I607-F618 HydrophobicContact CD1-CZ 3.65Å; I607-F618 HydrophobicContact CG1-CD1 4.38Å; I607-F618 HydrophobicContact CG1-CE1 3.91Å; I607-F618 HydrophobicContact CG1-CE2 4.18Å; I607-F618 HydrophobicContact CG1-CZ 3.8Å; I607-F618 PolarHBondContact N-O 2.82Å; I607-F618 PolarHBondContact O-N 3.48Å; A609-F618 HydrophobicContact CB-CE1 4.24Å; F618-V620 HydrophobicContact CD2-CG1 3.62Å; F618-V620 HydrophobicContact CE2-CG1 3.28Å; F618-V620 HydrophobicContact CZ-CG1 4.18Å; F618-A660 HydrophobicContact CB-CB 4.2Å; F618-A660 HydrophobicContact CD2-CB 3.45Å; F618-A660 VanDerWaalsContact CD2-CB 3.45Å; F618-A660 HydrophobicContact CE2-CB 3.9Å; F618-A660 HydrophobicContact CG-CB 3.87Å; F618-Q664 HydrophobicContact CD1-CB 3.67Å; F618-Q664 HydrophobicContact CD1-CG 3.89Å; F618-Q664 HydrophobicContact CE1-CB 3.77Å; F618-Q664 HydrophobicContact CE1-CG 4.38Å; F618-Q664 HydrophobicContact CG-CB 4.26Å; F618-Q664 HydrophobicContact CZ-CB 4.4Å; F618-A668 HydrophobicContact CZ-CB 3.81Å
619	L	94	Very high	88.9	Confident	83 Å²	83	43.8 Å²	43.8	44%	0.435	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.1	-174.6	-169.4	71.2	0	0	0	111.3	L604 Y606	L604-L619 HydrophobicContact CB-CD1 4.24Å; L604-L619 HydrophobicContact CD2-CD2 4.46Å; L604-L619 HydrophobicContact CD2-CG 4.39Å; Y606-L619 HydrophobicContact CD1-CB 4.32Å; Y606-L619 HydrophobicContact CD2-CD1 3.84Å; Y606-L619 HydrophobicContact CE1-CB 4.08Å; Y606-L619 HydrophobicContact CE1-CD1 4.46Å; Y606-L619 HydrophobicContact CE2-CD1 3.77Å; Y606-L619 HydrophobicContact CG-CD1 4.21Å
620	V	94.8	Very high	89.1	Confident	3 Å²	3	44 Å²	44	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160.3	175.6	-61.2	0	0	0	0	110.9	L604 Y605 I607 F618 T630 V632	L604-V620 WeakPolarHBondContact CA-O 3.36Å; Y605-V620 PolarHBondContact N-O 2.86Å; Y605-V620 WeakPolarHBondContact O-CG2 3.38Å; Y605-V620 PolarHBondContact O-N 2.83Å; Y605-V620 VanDerWaalsContact O-O 3.14Å; I607-V620 HydrophobicContact CB-CG2 4.35Å; I607-V620 HydrophobicContact CD1-CB 4.48Å; I607-V620 HydrophobicContact CD1-CG1 3.87Å; I607-V620 HydrophobicContact CD1-CG2 3.83Å; I607-V620 HydrophobicContact CG1-CG1 3.96Å; I607-V620 HydrophobicContact CG1-CG2 3.75Å; I607-V620 HydrophobicContact CG2-CG2 3.74Å; F618-V620 HydrophobicContact CD2-CG1 3.62Å; F618-V620 HydrophobicContact CE2-CG1 3.28Å; F618-V620 HydrophobicContact CZ-CG1 4.18Å; V620-T630 HydrophobicContact CB-CG2 4.02Å; V620-T630 HydrophobicContact CG1-CG2 3.99Å; V620-T630 HydrophobicContact CG2-CG2 4.06Å; V620-V632 HydrophobicContact CG1-CG2 4.03Å
621	Y	95.3	Very high	89.4	Confident	101 Å²	101	43.2 Å²	43.2	40%	0.396	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119	167.2	-176.6	-93.6	0	0	0	109.4	L604 N623 V631	L604-Y621 HydrophobicContact CD2-CD2 4.15Å; L604-Y621 HydrophobicContact CG-CD2 4.23Å; Y621-N623 HydrophobicContact CD1-CB 4.43Å; Y621-N623 HydrophobicContact CE1-CB 4.02Å; Y621-V631 HydrophobicContact CD1-CB 4.3Å; Y621-V631 HydrophobicContact CD1-CG2 4.16Å; Y621-V631 PolarHBondContact N-O 3.29Å; Y621-V631 WeakPolarHBondContact O-CB 3.42Å; Y621-V631 PolarHBondContact O-N 2.95Å
622	C	94.9	Very high	89.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.1	175.1	-61.7	0	0	0	0	110.1	C592 S602 G603 Y605 M624 W629	C592-C622 VanDerWaalsContact CA-SG 3.55Å; C592-C622 HydrophobicContact CB-CB 3.6Å; C592-C622 WeakPolarHBondContact CB-SG 3.48Å; C592-C622 WeakPolarHBondContact SG-CA 3.49Å; C592-C622 WeakPolarHBondContact SG-CB 3.28Å; C592-C622 CovalentContact SG-SG 2.03Å; C592-C622 PolarHBondContact SG-SG 2.85Å; S602-C622 CarbonylContact C-O 3.6Å; S602-C622 VanDerWaalsContact CA-O 3.23Å; S602-C622 WeakPolarHBondContact CA-O 3.5Å; S602-C622 WeakPolarHBondContact CB-O 3.42Å; G603-C622 PolarHBondContact N-O 2.82Å; G603-C622 PolarHBondContact O-N 2.92Å; Y605-C622 HydrophobicContact CD2-CB 3.79Å; Y605-C622 HydrophobicContact CE2-CB 4.36Å; C622-M624 HydrophobicContact CB-CE 3.31Å; C622-M624 HydrophobicContact CB-CG 4.38Å; C622-M624 HydrophobicContact CB-SD 3.81Å; C622-W629 WeakPolarHBondContact CA-O 3.24Å
623	N	93.9	Very high	90	Very high	55 Å²	55	51.5 Å²	51.5	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	104.1	172.2	-170.3	3.4	0	0	0	109.5	Y621 T625 W629	Y621-N623 HydrophobicContact CD1-CB 4.43Å; Y621-N623 HydrophobicContact CE1-CB 4.02Å; N623-T625 WeakPolarHBondContact OD1-CG2 3.47Å; N623-W629 HydrophobicContact CB-CB 4.2Å; N623-W629 PolarHBondContact N-O 3.35Å; N623-W629 PolarHBondContact O-N 3.27Å
624	M	87.6	Confident	90.1	Very high	22 Å²	22	52.1 Å²	52.1	11%	0.108	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	45.2	-170.9	-50.9	-55.2	-158.8	0	0	113.1	C592 H595 K596 S602 C622 A628	C592-M624 HydrophobicContact CB-CE 3.98Å; C592-M624 HydrophobicContact CB-SD 4.21Å; C592-M624 WeakPolarHBondContact O-CE 3.21Å; C592-M624 VanDerWaalsContact O-SD 3.41Å; H595-M624 HydrophobicContact CB-CE 3.56Å; K596-M624 HydrophobicContact CB-CE 4.27Å; K596-M624 HydrophobicContact CB-SD 3.79Å; K596-M624 HydrophobicContact CG-CB 4.44Å; K596-M624 HydrophobicContact CG-SD 4.43Å; S602-M624 PolarHBondContact OG-N 2.81Å; C622-M624 HydrophobicContact CB-CE 3.31Å; C622-M624 HydrophobicContact CB-CG 4.38Å; C622-M624 HydrophobicContact CB-SD 3.81Å; M624-A628 HydrophobicContact SD-CB 3.59Å; M624-A628 VanDerWaalsContact SD-CB 3.59Å
625	T	82.6	Confident	90	Very high	84 Å²	84	49.8 Å²	49.8	52%	0.515	27%	0.271	S	S	.	.	S	Bend	trans	-74.8	-122.1	173.3	54.4	0	0	0	0	110.2	K596 N623 S627	K596-T625 PolarHBondContact NZ-O 3.19Å; N623-T625 WeakPolarHBondContact OD1-CG2 3.47Å; T625-S627 VanDerWaalsContact C-N 3.34Å; T625-S627 PolarHBondContact O-N 2.66Å
626	D	73.6	Confident	89.5	Confident	150 Å²	150	48 Å²	48	80%	0.802	27%	0.265	S	S	*	.	S	Bend	trans	-70.5	-29.1	-178.6	-68.6	-28.3	0	0	0	112.9	K596	K596-D626 PolarHBondContact NZ-O 3.28Å
627	S	79.2	Confident	89	Confident	24 Å²	24	49.7 Å²	49.7	17%	0.168	27%	0.27	C	S	.	.	S	Bend	trans	-142.1	147.1	174	-62.4	0	0	0	0	109.3	T625 W629 R785	T625-S627 VanDerWaalsContact C-N 3.34Å; T625-S627 PolarHBondContact O-N 2.66Å; S627-W629 VanDerWaalsContact O-CD1 3.27Å; S627-W629 PolarHBondContact O-N 2.75Å; S627-R785 PolarHBondContact OG-NE 3.33Å; S627-R785 PolarHBondContact OG-NH2 3.12Å
628	A	89.6	Confident	88.2	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.4	-177.6	0	0	0	0	0	110.1	C592 E593 K596 M624 G786	C592-A628 HydrophobicContact CB-CB 4.05Å; E593-A628 VanDerWaalsContact CA-CB 3.49Å; E593-A628 HydrophobicContact CB-CB 4.05Å; E593-A628 WeakPolarHBondContact OE2-CB 2.95Å; E593-A628 PolarHBondContact OE2-N 2.82Å; K596-A628 HydrophobicContact CB-CB 4.19Å; K596-A628 HydrophobicContact CD-CB 4.03Å; M624-A628 HydrophobicContact SD-CB 3.59Å; M624-A628 VanDerWaalsContact SD-CB 3.59Å; A628-G786 PolarHBondContact O-N 2.92Å
629	W	92.9	Very high	87.6	Confident	50 Å²	50	57.4 Å²	57.4	19%	0.189	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.5	172.6	-69.5	87.6	0	0	0	110.6	C622 N623 S627 V631 E676 L783 C784 R785	C622-W629 WeakPolarHBondContact CA-O 3.24Å; N623-W629 HydrophobicContact CB-CB 4.2Å; N623-W629 PolarHBondContact N-O 3.35Å; N623-W629 PolarHBondContact O-N 3.27Å; S627-W629 VanDerWaalsContact O-CD1 3.27Å; S627-W629 PolarHBondContact O-N 2.75Å; W629-V631 HydrophobicContact CB-CG2 4.47Å; W629-E676 HydrophobicContact CZ3-CG 4.2Å; W629-L783 HydrophobicContact CE3-CB 3.83Å; W629-L783 HydrophobicContact CZ3-CB 3.81Å; W629-C784 CarbonylContact C-O 3.6Å; W629-C784 WeakPolarHBondContact CA-O 3.24Å; W629-R785 HydrophobicContact CD2-CB 3.9Å; W629-R785 HydrophobicContact CD2-CG 4.26Å; W629-R785 HydrophobicContact CE3-CB 3.73Å; W629-R785 HydrophobicContact CH2-CB 4.07Å; W629-R785 HydrophobicContact CZ2-CB 4.21Å; W629-R785 HydrophobicContact CZ2-CG 4.32Å; W629-R785 HydrophobicContact CZ3-CB 3.82Å
630	T	94.8	Very high	87	Confident	14 Å²	14	54.2 Å²	54.2	9%	0.086	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	111.5	167.4	-53.5	0	0	0	0	108.7	C592 I607 V620 V632 C784	C592-T630 PolarHBondContact SG-OG1 2.97Å; I607-T630 HydrophobicContact CD1-CG2 3.94Å; V620-T630 HydrophobicContact CB-CG2 4.02Å; V620-T630 HydrophobicContact CG1-CG2 3.99Å; V620-T630 HydrophobicContact CG2-CG2 4.06Å; T630-V632 HydrophobicContact CG2-CG2 4.16Å; T630-C784 PolarHBondContact N-O 3Å; T630-C784 PolarHBondContact O-N 3.42Å
631	V	94.7	Very high	86.2	Confident	25 Å²	25	58.2 Å²	58.2	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.9	-179.2	-175	0	0	0	0	109.5	Y621 W629 P781 L783	Y621-V631 HydrophobicContact CD1-CB 4.3Å; Y621-V631 HydrophobicContact CD1-CG2 4.16Å; Y621-V631 PolarHBondContact N-O 3.29Å; Y621-V631 WeakPolarHBondContact O-CB 3.42Å; Y621-V631 PolarHBondContact O-N 2.95Å; W629-V631 HydrophobicContact CB-CG2 4.47Å; V631-P781 HydrophobicContact CG1-CB 3.78Å; V631-P781 HydrophobicContact CG1-CG 3.92Å; V631-L783 HydrophobicContact CB-CD2 4.09Å; V631-L783 HydrophobicContact CG1-CD2 3.79Å; V631-L783 HydrophobicContact CG2-CD2 3.63Å
632	V	93.4	Very high	85.1	Confident	9 Å²	9	54.5 Å²	54.5	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.9	179.2	-165.4	0	0	0	0	110.3	V620 T630 Y658 L665 P781 L782	V620-V632 HydrophobicContact CG1-CG2 4.03Å; T630-V632 HydrophobicContact CG2-CG2 4.16Å; V632-Y658 HydrophobicContact CG1-CD1 4.12Å; V632-L665 HydrophobicContact CG1-CD2 3.88Å; V632-P781 CarbonylContact O-C 3.59Å; V632-P781 WeakPolarHBondContact O-CA 3.48Å; V632-P781 VanDerWaalsContact O-CB 3.3Å; V632-P781 WeakPolarHBondContact O-CB 3.49Å; V632-L782 HydrophobicContact CB-CB 4.28Å; V632-L782 PolarHBondContact N-O 3.44Å; V632-L782 PolarHBondContact O-N 2.78Å
633	R	90.3	Very high	83.9	Confident	201 Å²	201	62.6 Å²	62.6	76%	0.758	34%	0.344	S	S	*	.			trans	-89.5	148	-179.8	-71.8	-179.3	144.4	178.6	-8	111.7	P781	R633-P781 HydrophobicContact CG-CB 4.24Å
634	H	88.8	Confident	82.3	Confident	30 Å²	30	61.2 Å²	61.2	14%	0.139	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-97.4	155.5	167.5	61.8	63.9	0	0	0	110.9	G636 F656 A657 Y658 L779	H634-G636 VanDerWaalsContact C-N 3.34Å; H634-G636 PolarHBondContact ND1-N 3.44Å; H634-F656 HydrophobicContact CB-CB 4.18Å; H634-F656 HydrophobicContact CB-CD1 4.46Å; H634-F656 AromaticContact CD2-CD1 3.87Å; H634-F656 AromaticContact CE1-CD1 3.59Å; H634-F656 AromaticContact CE1-CE1 3.74Å; H634-F656 AromaticContact CG-CD1 3.75Å; H634-F656 AromaticContact ND1-CD1 3.59Å; H634-F656 AromaticContact NE2-CD1 3.77Å; H634-F656 AromaticContact NE2-CE1 3.98Å; H634-A657 CarbonylContact C-O 3.5Å; H634-A657 WeakPolarHBondContact CA-O 3.47Å; H634-Y658 HydrophobicContact CB-CD1 4.05Å; H634-Y658 HydrophobicContact CB-CE1 3.83Å; H634-Y658 HydrophobicContact CB-CE2 4.38Å; H634-Y658 HydrophobicContact CB-CG 4.42Å; H634-L779 PolarHBondContact NE2-O 2.9Å; H634-L779 VanDerWaalsContact NE2-O 3.08Å
635	G	82.9	Confident	80.8	Confident	74 Å²	74	61.8 Å²	61.8	76%	0.763	35%	0.351	S	S	*	.	S	Bend	trans	-88.5	9.2	173.9	0	0	0	0	0	114.8	A657	G635-A657 PolarHBondContact N-O 2.99Å
636	G	79	Confident	79.5	Confident	15 Å²	15	64.6 Å²	64.6	16%	0.155	37%	0.371	C	S	.	.	S	Bend	trans	-71.1	167.6	173.6	0	0	0	0	0	113.6	H634	H634-G636 VanDerWaalsContact C-N 3.34Å; H634-G636 PolarHBondContact ND1-N 3.44Å
637	P	78.9	Confident	78.6	Confident	64 Å²	64	60.8 Å²	60.8	42%	0.416	36%	0.356	S	S	.	.			trans	-61.8	142.5	-179.9	25.6	-33.9	0	0	0	112.4	A639 V640 V654	P637-A639 VanDerWaalsContact C-N 3.29Å; P637-A639 PolarHBondContact O-N 2.74Å; P637-V640 HydrophobicContact CB-CG2 4.39Å; P637-V640 HydrophobicContact CG-CG2 3.65Å; P637-V654 HydrophobicContact CG-CG1 4.02Å
638	D	77.9	Confident	77.3	Confident	147 Å²	147	63.4 Å²	63.4	79%	0.786	39%	0.387	S	S	*	.	S	Bend	trans	-63.4	-33.8	-178.6	-69	-38.2	0	0	0	112.8	T778	D638-T778 WeakPolarHBondContact O-CB 3Å; D638-T778 VanDerWaalsContact O-CG2 3.27Å; D638-T778 WeakPolarHBondContact O-CG2 3.4Å
639	A	80.5	Confident	75.4	Confident	53 Å²	53	70 Å²	70	44%	0.438	42%	0.417	S	S	.	.			trans	-146.6	140.1	174.7	0	0	0	0	0	110.8	P637 Y777 T778	P637-A639 VanDerWaalsContact C-N 3.29Å; P637-A639 PolarHBondContact O-N 2.74Å; A639-Y777 WeakPolarHBondContact CA-O 3Å; A639-T778 HydrophobicContact CB-CG2 3.74Å
640	V	81.6	Confident	73.6	Confident	17 Å²	17	71.9 Å²	71.9	10%	0.103	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.9	176.7	-179.2	0	0	0	0	108.6	P637 L642 V654 D776 Y777	P637-V640 HydrophobicContact CB-CG2 4.39Å; P637-V640 HydrophobicContact CG-CG2 3.65Å; V640-L642 HydrophobicContact CG1-CD2 4.39Å; V640-V654 HydrophobicContact CG1-CG2 4.22Å; V640-V654 HydrophobicContact CG2-CG2 4.05Å; V640-D776 CarbonylContact O-C 3.59Å; V640-D776 VanDerWaalsContact O-CA 3.25Å; V640-D776 WeakPolarHBondContact O-CA 3.43Å; V640-Y777 HydrophobicContact CB-CD1 4.09Å; V640-Y777 HydrophobicContact CB-CD2 4.45Å; V640-Y777 HydrophobicContact CB-CE1 3.61Å; V640-Y777 HydrophobicContact CB-CE2 4.01Å; V640-Y777 HydrophobicContact CB-CG 4.49Å; V640-Y777 HydrophobicContact CG1-CD1 4.44Å; V640-Y777 HydrophobicContact CG1-CE1 3.63Å; V640-Y777 HydrophobicContact CG2-CE1 4.35Å; V640-Y777 HydrophobicContact CG2-CE2 3.95Å; V640-Y777 PolarHBondContact N-O 2.98Å; V640-Y777 PolarHBondContact O-N 2.79Å
641	T	77.4	Confident	71.9	Confident	87 Å²	87	74.2 Å²	74.2	53%	0.534	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.1	176.7	-49.5	0	0	0	0	110.7
642	L	73.1	Confident	70.5	Confident	23 Å²	23	74.1 Å²	74.1	12%	0.12	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.7	176.3	-56.2	172.7	0	0	0	108.8	V640 S652 M765 E774 A775 Y777	V640-L642 HydrophobicContact CG1-CD2 4.39Å; L642-S652 VanDerWaalsContact CD2-CB 3.49Å; L642-M765 HydrophobicContact CD1-CB 3.66Å; L642-M765 HydrophobicContact CD1-CG 3.86Å; L642-M765 HydrophobicContact CD2-CB 4.48Å; L642-E774 WeakPolarHBondContact O-CA 3.2Å; L642-A775 WeakPolarHBondContact CB-O 3.22Å; L642-A775 PolarHBondContact N-O 3.19Å; L642-A775 PolarHBondContact O-N 2.87Å; L642-A775 VanDerWaalsContact O-N 3.08Å; L642-Y777 HydrophobicContact CD1-CD1 4.23Å; L642-Y777 HydrophobicContact CD1-CE1 4.28Å; L642-Y777 HydrophobicContact CD2-CE1 4.49Å; L642-Y777 HydrophobicContact CG-CE1 4.47Å
643	R	69.1	Low	69.4	Low	169 Å²	169	76.6 Å²	76.6	64%	0.638	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.7	172.8	-67.2	-173.1	167.5	167.6	6.9	108.9	L651 E774	R643-L651 WeakPolarHBondContact O-CD2 3.08Å; R643-E774 HydrophobicContact CG-CG 4.29Å; R643-E774 IonicContact CZ-OE1 2.64Å; R643-E774 IonicContact NE-OE1 3.51Å; R643-E774 PolarHBondContact NE-OE1 2.64Å; R643-E774 IonicContact NH2-OE1 2.99Å
644	G	60.2	Low	68.9	Low	26 Å²	26	68.1 Å²	68.1	27%	0.268	44%	0.44	S	S	.	.			trans	-58.5	137.7	-178.8	0	0	0	0	0	113.1	S773	G644-S773 PolarHBondContact N-O 3.11Å
645	A	56.9	Low	68.6	Low	34 Å²	34	70.7 Å²	70.7	28%	0.281	46%	0.461	S	S	.	.			trans	-118.2	163.1	179.5	0	0	0	0	0	111.2	S647 L651 D767	A645-S647 VanDerWaalsContact C-N 3.3Å; A645-S647 PolarHBondContact O-N 2.85Å; A645-L651 HydrophobicContact CB-CD2 4.3Å; A645-D767 PolarHBondContact N-OD2 3.12Å
646	P	54.6	Low	68.8	Low	143 Å²	143	67.5 Å²	67.5	93%	0.929	43%	0.427	S	S	*	.	S	Bend	trans	-77.9	-4.7	-176.4	-16.2	31.9	0	0	0	115.5
647	S	54	Low	69.1	Low	70 Å²	70	70.2 Å²	70.2	49%	0.49	45%	0.448	S	S	.	.	S	Bend	trans	-138.9	130	-172.7	51.8	0	0	0	0	112.6	A645 H649	A645-S647 VanDerWaalsContact C-N 3.3Å; A645-S647 PolarHBondContact O-N 2.85Å; S647-H649 VanDerWaalsContact C-N 3.27Å; S647-H649 PolarHBondContact O-N 3.2Å
648	G	52.5	Low	69.6	Low	80 Å²	80	68.6 Å²	68.6	83%	0.825	43%	0.433	S	S	*	.			trans	-69	59.9	-170.3	0	0	0	0	0	116.8
649	H	50.9	Low	69.9	Low	139 Å²	139	66.7 Å²	66.7	64%	0.644	44%	0.438	S	S	*	.	S	Bend	trans	-95.2	155.6	163.9	-69.4	-64.3	0	0	0	110.6	S647 L651	S647-H649 VanDerWaalsContact C-N 3.27Å; S647-H649 PolarHBondContact O-N 3.2Å; H649-L651 PolarHBondContact O-N 2.94Å; H649-L651 VanDerWaalsContact O-N 3.11Å
650	P	54.1	Low	70.3	Confident	89 Å²	89	64.5 Å²	64.5	58%	0.578	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	116.5	172.3	23.1	-30.9	0	0	0	109.8
651	L	59.8	Low	70.6	Confident	64 Å²	64	65.5 Å²	65.5	34%	0.335	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-32	-176.4	-93.7	154	0	0	0	112.5	R643 A645 H649 M765 D767	R643-L651 WeakPolarHBondContact O-CD2 3.08Å; A645-L651 HydrophobicContact CB-CD2 4.3Å; H649-L651 PolarHBondContact O-N 2.94Å; H649-L651 VanDerWaalsContact O-N 3.11Å; L651-M765 PolarHBondContact N-O 3.17Å; L651-D767 HydrophobicContact CD1-CB 3.49Å; L651-D767 VanDerWaalsContact CD1-CB 3.49Å; L651-D767 VanDerWaalsContact CD1-CG 3.45Å; L651-D767 HydrophobicContact CG-CB 4.33Å
652	S	65.1	Low	71	Confident	23 Å²	23	65 Å²	65	16%	0.161	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	127.5	179	-161.8	0	0	0	0	112	L642 V654 M765	L642-S652 VanDerWaalsContact CD2-CB 3.49Å; S652-V654 VanDerWaalsContact OG-CG2 3.31Å; S652-V654 WeakPolarHBondContact OG-CG2 3.37Å; S652-M765 PolarHBondContact O-N 2.89Å; S652-M765 VanDerWaalsContact O-N 3.15Å
653	A	70	Confident	71.8	Confident	60 Å²	60	65.3 Å²	65.3	50%	0.496	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	97.6	166.9	0	0	0	0	0	107.4	V764	A653-V764 HydrophobicContact CB-CG2 4.23Å
654	V	79.5	Confident	72.9	Confident	23 Å²	23	58.8 Å²	58.8	14%	0.139	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.8	-177.1	-178.3	0	0	0	0	108.9	P637 V640 S652 F656 Q762 I763 Y777	P637-V654 HydrophobicContact CG-CG1 4.02Å; V640-V654 HydrophobicContact CG1-CG2 4.22Å; V640-V654 HydrophobicContact CG2-CG2 4.05Å; S652-V654 VanDerWaalsContact OG-CG2 3.31Å; S652-V654 WeakPolarHBondContact OG-CG2 3.37Å; V654-F656 HydrophobicContact CB-CE2 4.33Å; V654-F656 HydrophobicContact CB-CZ 4.42Å; V654-F656 HydrophobicContact CG1-CE1 4.25Å; V654-F656 HydrophobicContact CG1-CE2 4.1Å; V654-F656 HydrophobicContact CG1-CZ 3.91Å; V654-Q762 WeakPolarHBondContact O-CA 3.3Å; V654-I763 PolarHBondContact N-O 2.95Å; V654-I763 VanDerWaalsContact N-O 3.11Å; V654-I763 PolarHBondContact O-N 2.88Å; V654-Y777 WeakPolarHBondContact CG2-OH 3.37Å
655	S	83.4	Confident	74.4	Confident	85 Å²	85	58.1 Å²	58.1	59%	0.594	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	133.4	173.7	-59.1	0	0	0	0	109.7	T761	S655-T761 CarbonylContact C-O 3.52Å; S655-T761 WeakPolarHBondContact CA-O 3.46Å
656	F	86	Confident	76	Confident	7 Å²	7	62.9 Å²	62.9	3%	0.031	42%	0.424	C	S	.	.			trans	-103.9	104	-180	-65.4	-84.2	0	0	0	109.3	H634 V654 Y658 T761 I763 Y777 L779	H634-F656 HydrophobicContact CB-CB 4.18Å; H634-F656 HydrophobicContact CB-CD1 4.46Å; H634-F656 AromaticContact CD2-CD1 3.87Å; H634-F656 AromaticContact CE1-CD1 3.59Å; H634-F656 AromaticContact CE1-CE1 3.74Å; H634-F656 AromaticContact CG-CD1 3.75Å; H634-F656 AromaticContact ND1-CD1 3.59Å; H634-F656 AromaticContact NE2-CD1 3.77Å; H634-F656 AromaticContact NE2-CE1 3.98Å; V654-F656 HydrophobicContact CB-CE2 4.33Å; V654-F656 HydrophobicContact CB-CZ 4.42Å; V654-F656 HydrophobicContact CG1-CE1 4.25Å; V654-F656 HydrophobicContact CG1-CE2 4.1Å; V654-F656 HydrophobicContact CG1-CZ 3.91Å; F656-Y658 HydrophobicContact CB-CE2 4.41Å; F656-T761 PolarHBondContact N-O 2.98Å; F656-I763 HydrophobicContact CE2-CB 4.22Å; F656-I763 HydrophobicContact CE2-CD1 3.87Å; F656-I763 HydrophobicContact CE2-CG1 3.92Å; F656-I763 HydrophobicContact CZ-CD1 4.38Å; F656-Y777 HydrophobicContact CZ-CE2 4.16Å; F656-L779 HydrophobicContact CB-CD2 4.26Å; F656-L779 HydrophobicContact CD1-CD2 3.74Å; F656-L779 HydrophobicContact CD2-CD2 3.65Å; F656-L779 HydrophobicContact CE1-CB 4.01Å; F656-L779 HydrophobicContact CE1-CD2 3.93Å; F656-L779 HydrophobicContact CE2-CD2 3.85Å; F656-L779 HydrophobicContact CG-CD2 3.59Å; F656-L779 HydrophobicContact CZ-CB 4.02Å; F656-L779 HydrophobicContact CZ-CD2 3.97Å
657	A	85.8	Confident	77.7	Confident	72 Å²	72	57 Å²	57	60%	0.595	39%	0.388	S	S	*	.			trans	-82.9	134.5	173.8	0	0	0	0	0	110.2	H634 G635	H634-A657 CarbonylContact C-O 3.5Å; H634-A657 WeakPolarHBondContact CA-O 3.47Å; G635-A657 PolarHBondContact N-O 2.99Å
658	Y	89.1	Confident	79.5	Confident	30 Å²	30	54.4 Å²	54.4	12%	0.118	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-101.3	150.3	172.7	-66	-96.3	0	0	0	109.1	V632 H634 F656 A660 L665 Q677 P759 V760	V632-Y658 HydrophobicContact CG1-CD1 4.12Å; H634-Y658 HydrophobicContact CB-CD1 4.05Å; H634-Y658 HydrophobicContact CB-CE1 3.83Å; H634-Y658 HydrophobicContact CB-CE2 4.38Å; H634-Y658 HydrophobicContact CB-CG 4.42Å; F656-Y658 HydrophobicContact CB-CE2 4.41Å; Y658-A660 PolarHBondContact O-N 3.45Å; Y658-L665 HydrophobicContact CD2-CD1 4.11Å; Y658-L665 HydrophobicContact CG-CD1 3.9Å; Y658-Q677 PolarHBondContact OH-NE2 3.17Å; Y658-P759 HydrophobicContact CE1-CB 4.19Å; Y658-P759 HydrophobicContact CE2-CB 3.99Å; Y658-P759 HydrophobicContact CE2-CG 4.14Å; Y658-V760 VanDerWaalsContact CE2-O 3.29Å; Y658-V760 WeakPolarHBondContact CE2-O 3.04Å; Y658-V760 PolarHBondContact OH-O 3.5Å
659	A	84.9	Confident	81.4	Confident	106 Å²	106	50.6 Å²	50.6	88%	0.876	33%	0.331	S	S	*	.	S	Bend	trans	-64.9	-28.2	175.6	0	0	0	0	0	112.3
660	A	88.2	Confident	83.2	Confident	7 Å²	7	47.8 Å²	47.8	6%	0.058	32%	0.321	C	S	.	.	S	Bend	trans	-85.9	142.8	173.8	0	0	0	0	0	111.3	F618 Y658 Q664 L665	F618-A660 HydrophobicContact CB-CB 4.2Å; F618-A660 HydrophobicContact CD2-CB 3.45Å; F618-A660 VanDerWaalsContact CD2-CB 3.45Å; F618-A660 HydrophobicContact CE2-CB 3.9Å; F618-A660 HydrophobicContact CG-CB 3.87Å; Y658-A660 PolarHBondContact O-N 3.45Å; A660-Q664 HydrophobicContact CB-CB 4.24Å; A660-L665 HydrophobicContact CB-CD2 3.9Å; A660-L665 HydrophobicContact CB-CG 3.93Å
661	G	87.1	Confident	84.7	Confident	38 Å²	38	45.2 Å²	45.2	39%	0.392	30%	0.302	S	S	.	.			trans	-65.5	158.1	174.6	0	0	0	0	0	112.7	G663 Q664 L665	G661-G663 PolarHBondContact O-N 2.98Å; G661-Q664 WeakPolarHBondContact O-CB 3.24Å; G661-Q664 PolarHBondContact O-N 3.09Å; G661-Q664 VanDerWaalsContact O-N 3.13Å; G661-L665 WeakPolarHBondContact O-CG 3.11Å; G661-L665 PolarHBondContact O-N 2.82Å
662	A	87.6	Confident	86.1	Confident	78 Å²	78	42.4 Å²	42.4	65%	0.645	29%	0.289	S	S	*	.	H	α-helix	trans	-57.7	-35.1	-177.9	0	0	0	0	0	113.5	R666	A662-R666 WeakPolarHBondContact O-CB 3.34Å; A662-R666 PolarHBondContact O-N 3.39Å
663	G	88.8	Confident	87.2	Confident	28 Å²	28	46.5 Å²	46.5	29%	0.289	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-48.5	174.9	0	0	0	0	0	112.7	L615 G661 L665 R666 A667	L615-G663 VanDerWaalsContact CD1-C 3.46Å; L615-G663 WeakPolarHBondContact CD1-O 3.37Å; G661-G663 PolarHBondContact O-N 2.98Å; G663-L665 PolarHBondContact O-N 2.88Å; G663-R666 WeakPolarHBondContact O-CB 3.35Å; G663-R666 PolarHBondContact O-N 3.01Å; G663-R666 VanDerWaalsContact O-N 3.16Å; G663-A667 PolarHBondContact O-N 3.43Å
664	Q	92.5	Very high	88.2	Confident	33 Å²	33	50.5 Å²	50.5	15%	0.154	31%	0.307	C	S	.	.	H	α-helix	trans	-59.1	-46.3	178.5	-70.7	169.7	-35.4	0	0	111.5	L615 G616 P617 F618 A660 G661 R666 A667 A668	L615-Q664 HydrophobicContact CB-CG 4.19Å; G616-Q664 PolarHBondContact O-NE2 2.86Å; P617-Q664 PolarHBondContact O-NE2 3.07Å; F618-Q664 HydrophobicContact CD1-CB 3.67Å; F618-Q664 HydrophobicContact CD1-CG 3.89Å; F618-Q664 HydrophobicContact CE1-CB 3.77Å; F618-Q664 HydrophobicContact CE1-CG 4.38Å; F618-Q664 HydrophobicContact CG-CB 4.26Å; F618-Q664 HydrophobicContact CZ-CB 4.4Å; A660-Q664 HydrophobicContact CB-CB 4.24Å; G661-Q664 WeakPolarHBondContact O-CB 3.24Å; G661-Q664 PolarHBondContact O-N 3.09Å; G661-Q664 VanDerWaalsContact O-N 3.13Å; Q664-R666 VanDerWaalsContact C-N 3.35Å; Q664-R666 PolarHBondContact O-N 3.47Å; Q664-A667 PolarHBondContact O-N 2.95Å; Q664-A668 PolarHBondContact O-N 3.46Å
665	L	91.2	Very high	88.8	Confident	11 Å²	11	49.5 Å²	49.5	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-44.7	175.5	-67.9	168.3	0	0	0	111.2	V632 Y658 A660 G661 G663 A667 A668 V669 P759	V632-L665 HydrophobicContact CG1-CD2 3.88Å; Y658-L665 HydrophobicContact CD2-CD1 4.11Å; Y658-L665 HydrophobicContact CG-CD1 3.9Å; A660-L665 HydrophobicContact CB-CD2 3.9Å; A660-L665 HydrophobicContact CB-CG 3.93Å; G661-L665 WeakPolarHBondContact O-CG 3.11Å; G661-L665 PolarHBondContact O-N 2.82Å; G663-L665 PolarHBondContact O-N 2.88Å; L665-A667 VanDerWaalsContact C-N 3.35Å; L665-A667 PolarHBondContact O-N 3.05Å; L665-A668 PolarHBondContact O-N 3.31Å; L665-V669 VanDerWaalsContact O-CB 3.24Å; L665-V669 WeakPolarHBondContact O-CB 2.96Å; L665-V669 WeakPolarHBondContact O-CG2 3.34Å; L665-V669 PolarHBondContact O-N 2.79Å; L665-P759 HydrophobicContact CD1-CG 4.12Å
666	R	90.9	Very high	89.2	Confident	134 Å²	134	47.7 Å²	47.7	51%	0.506	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-43.7	178.7	-176	-176.7	-67.7	159.9	-1.5	111.5	A662 G663 Q664 N670	A662-R666 WeakPolarHBondContact O-CB 3.34Å; A662-R666 PolarHBondContact O-N 3.39Å; G663-R666 WeakPolarHBondContact O-CB 3.35Å; G663-R666 PolarHBondContact O-N 3.01Å; G663-R666 VanDerWaalsContact O-N 3.16Å; Q664-R666 VanDerWaalsContact C-N 3.35Å; Q664-R666 PolarHBondContact O-N 3.47Å; R666-N670 VanDerWaalsContact O-CB 3.23Å; R666-N670 WeakPolarHBondContact O-CB 3.44Å; R666-N670 PolarHBondContact O-N 3.06Å; R666-N670 PolarHBondContact O-ND2 3.38Å; R666-N670 PolarHBondContact O-OD1 2.89Å
667	A	90.6	Very high	89.5	Confident	20 Å²	20	47.3 Å²	47.3	17%	0.165	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-51.9	177.3	0	0	0	0	0	111.4	A609 L615 G663 Q664 L665 V669 N670 L671	A609-A667 HydrophobicContact CB-CB 3.77Å; L615-A667 HydrophobicContact CD1-CB 4.03Å; G663-A667 PolarHBondContact O-N 3.43Å; Q664-A667 PolarHBondContact O-N 2.95Å; L665-A667 VanDerWaalsContact C-N 3.35Å; L665-A667 PolarHBondContact O-N 3.05Å; A667-V669 PolarHBondContact O-N 2.04Å; A667-N670 PolarHBondContact O-N 3.2Å; A667-N670 VanDerWaalsContact O-N 3.12Å; A667-L671 PolarHBondContact O-N 3.3Å
668	A	91.7	Very high	89.7	Confident	15 Å²	15	50.6 Å²	50.6	12%	0.124	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-42.7	179.9	0	0	0	0	0	112.8	A609 F618 Q664 L665 N670 L671 A672	A609-A668 HydrophobicContact CB-CB 3.83Å; F618-A668 HydrophobicContact CZ-CB 3.81Å; Q664-A668 PolarHBondContact O-N 3.46Å; L665-A668 PolarHBondContact O-N 3.31Å; A668-N670 VanDerWaalsContact C-N 3.34Å; A668-N670 PolarHBondContact O-N 3.47Å; A668-L671 PolarHBondContact O-N 2.87Å; A668-A672 PolarHBondContact O-N 2.88Å; A668-A672 VanDerWaalsContact O-N 3.15Å
669	V	92.1	Very high	89.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-48.1	174	171.2	0	0	0	0	109.4	L665 A667 L671 A672 R703 K755 L782	L665-V669 VanDerWaalsContact O-CB 3.24Å; L665-V669 WeakPolarHBondContact O-CB 2.96Å; L665-V669 WeakPolarHBondContact O-CG2 3.34Å; L665-V669 PolarHBondContact O-N 2.79Å; A667-V669 PolarHBondContact O-N 2.04Å; V669-L671 PolarHBondContact O-N 2.9Å; V669-A672 PolarHBondContact O-N 3.28Å; V669-R703 VanDerWaalsContact CG1-NH1 3.32Å; V669-K755 HydrophobicContact CG1-CD 4.04Å; V669-K755 HydrophobicContact CG1-CG 3.3Å; V669-K755 WeakPolarHBondContact CG1-O 3.45Å; V669-K755 WeakPolarHBondContact O-CD 3.39Å; V669-K755 WeakPolarHBondContact O-CE 3.4Å; V669-K755 PolarHBondContact O-NZ 2.93Å; V669-L782 HydrophobicContact CG2-CD2 3.74Å
670	N	89	Confident	89.5	Confident	81 Å²	81	45 Å²	45	43%	0.433	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-34.5	-178.4	-74.1	-6.2	0	0	0	113.9	R666 A667 A668 R703 K755	R666-N670 VanDerWaalsContact O-CB 3.23Å; R666-N670 WeakPolarHBondContact O-CB 3.44Å; R666-N670 PolarHBondContact O-N 3.06Å; R666-N670 PolarHBondContact O-ND2 3.38Å; R666-N670 PolarHBondContact O-OD1 2.89Å; A667-N670 PolarHBondContact O-N 3.2Å; A667-N670 VanDerWaalsContact O-N 3.12Å; A668-N670 VanDerWaalsContact C-N 3.34Å; A668-N670 PolarHBondContact O-N 3.47Å; N670-R703 PolarHBondContact OD1-NH1 3.46Å; N670-R703 VanDerWaalsContact OD1-NH1 3.07Å; N670-R703 PolarHBondContact OD1-NH2 3.14Å; N670-K755 VanDerWaalsContact CA-NZ 3.34Å; N670-K755 PolarHBondContact O-NZ 3.38Å
671	L	85.6	Confident	89.2	Confident	34 Å²	34	46 Å²	46	18%	0.178	24%	0.242	C	C	.	.	H	α-helix	trans	-70.2	-38.1	176.9	-173.9	62.5	0	0	0	112.7	Q590 A667 A668 V669 D787 K788	Q590-L671 HydrophobicContact CB-CD2 4.01Å; Q590-L671 WeakPolarHBondContact O-CD2 3.44Å; A667-L671 PolarHBondContact O-N 3.3Å; A668-L671 PolarHBondContact O-N 2.87Å; V669-L671 PolarHBondContact O-N 2.9Å; L671-D787 VanDerWaalsContact CD1-OD1 3.29Å; L671-D787 WeakPolarHBondContact CD1-OD1 2.94Å; L671-K788 PolarHBondContact O-N 3.23Å
672	A	89.9	Confident	88.9	Confident	6 Å²	6	49.5 Å²	49.5	5%	0.05	24%	0.244	C	C	.	.	S	Bend	trans	-63.5	151.2	-177.6	0	0	0	0	0	113.6	A668 V669 K755 C784 G786 K788	A668-A672 PolarHBondContact O-N 2.88Å; A668-A672 VanDerWaalsContact O-N 3.15Å; V669-A672 PolarHBondContact O-N 3.28Å; A672-K755 PolarHBondContact O-NZ 3.08Å; A672-C784 HydrophobicContact CB-CB 3.69Å; A672-G786 WeakPolarHBondContact CA-O 3.46Å; A672-K788 WeakPolarHBondContact O-CE 3.28Å
673	E	88.2	Confident	88.3	Confident	108 Å²	108	46.1 Å²	46.1	51%	0.505	22%	0.215	S	C	.	.	S	Bend	trans	-70.4	-46.6	175.6	-67	-178.8	167.1	0	0	111.3	R785 K788	E673-R785 PolarHBondContact N-O 2.67Å; E673-K788 HydrophobicContact CG-CG 4.03Å
674	R	89.9	Confident	87.2	Confident	145 Å²	145	45 Å²	45	55%	0.547	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.9	180	-176.1	173.8	175.7	160.7	-1.1	109.7	C784 R785	R674-C784 CarbonylContact O-C 3.59Å; R674-C784 WeakPolarHBondContact O-CA 3.16Å; R674-R785 PolarHBondContact N-O 3.2Å; R674-R785 PolarHBondContact O-N 2.79Å
675	C	92.8	Very high	85.7	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.8	169.5	-64.4	0	0	0	0	109.8	K755 L758 L782 L783 C784	C675-K755 HydrophobicContact CB-CG 4.4Å; C675-L758 HydrophobicContact CB-CD1 4.19Å; C675-L782 HydrophobicContact CB-CD1 4.33Å; C675-L783 CarbonylContact C-O 3.55Å; C675-L783 VanDerWaalsContact CA-O 3.24Å; C675-L783 WeakPolarHBondContact CA-O 3.09Å; C675-C784 HydrophobicContact CB-CB 4.19Å; C675-C784 WeakPolarHBondContact CB-SG 3.36Å; C675-C784 WeakPolarHBondContact SG-CB 3.39Å; C675-C784 CovalentContact SG-SG 2.05Å; C675-C784 PolarHBondContact SG-SG 2.93Å
676	E	92.4	Very high	83.8	Confident	47 Å²	47	46.6 Å²	46.6	22%	0.22	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.7	175	64	-171.3	-157.1	0	0	112	W629 V751 L752 L783	W629-E676 HydrophobicContact CZ3-CG 4.2Å; E676-V751 HydrophobicContact CB-CG1 4.06Å; E676-L752 CarbonylContact C-O 3.55Å; E676-L752 WeakPolarHBondContact CA-O 3.29Å; E676-L783 HydrophobicContact CG-CB 4.03Å; E676-L783 PolarHBondContact N-O 2.81Å; E676-L783 PolarHBondContact O-N 2.81Å
677	Q	91.6	Very high	81.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.4	174.1	-166.4	164.3	23.8	0	0	109.5	Y658 L752 L758 L779 G780	Y658-Q677 PolarHBondContact OH-NE2 3.17Å; Q677-L752 PolarHBondContact N-O 3.29Å; Q677-L752 PolarHBondContact O-N 3Å; Q677-L758 HydrophobicContact CB-CD2 3.7Å; Q677-L779 HydrophobicContact CG-CD1 3.93Å; Q677-G780 PolarHBondContact NE2-O 3.35Å
678	R	89.3	Confident	79.9	Confident	141 Å²	141	53.3 Å²	53.3	53%	0.532	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132	-177.4	-172.9	-179.8	177	-168.6	1.7	110.1	T749 I750 G780	R678-T749 HydrophobicContact CG-CG2 3.86Å; R678-T749 PolarHBondContact NH2-OG1 3.13Å; R678-I750 WeakPolarHBondContact CA-O 3.4Å; R678-G780 PolarHBondContact O-N 2.81Å
679	L	85.8	Confident	77.6	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.7	166.2	176.7	70	0	0	0	108	W711 I750 I763 Y777 T778 L779	L679-W711 HydrophobicContact CD2-CE3 3.7Å; L679-W711 HydrophobicContact CD2-CH2 3.86Å; L679-W711 HydrophobicContact CD2-CZ3 3.08Å; L679-I750 HydrophobicContact CB-CB 4.36Å; L679-I750 HydrophobicContact CD2-CD1 4.25Å; L679-I750 PolarHBondContact N-O 3.02Å; L679-I750 PolarHBondContact O-N 3.28Å; L679-I763 HydrophobicContact CD1-CD1 3.73Å; L679-I763 HydrophobicContact CD2-CD1 4.36Å; L679-Y777 HydrophobicContact CD1-CD2 4.09Å; L679-T778 WeakPolarHBondContact CA-O 3.46Å; L679-T778 WeakPolarHBondContact CD1-O 3.02Å; L679-L779 HydrophobicContact CD1-CB 4.48Å; L679-L779 HydrophobicContact CD1-CD1 4.39Å
680	A	85.4	Confident	75.3	Confident	14 Å²	14	62.3 Å²	62.3	12%	0.116	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.4	171.1	0	0	0	0	0	109.3	D748 Y777 T778	A680-D748 WeakPolarHBondContact CA-O 3.25Å; A680-Y777 CarbonylContact O-C 3.5Å; A680-Y777 WeakPolarHBondContact O-CA 3.37Å; A680-T778 PolarHBondContact N-O 3.29Å; A680-T778 PolarHBondContact O-N 2.73Å
681	L	80.1	Confident	73	Confident	29 Å²	29	60.1 Å²	60.1	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.8	174.1	179.2	70.8	0	0	0	107.7	S747 D748 M765 D776	L681-S747 CarbonylContact O-C 3.57Å; L681-S747 VanDerWaalsContact O-CA 3.3Å; L681-S747 WeakPolarHBondContact O-CA 3.08Å; L681-D748 PolarHBondContact N-O 2.88Å; L681-D748 PolarHBondContact O-N 3.07Å; L681-M765 HydrophobicContact CD1-CE 4.46Å; L681-D776 CarbonylContact C-O 3.45Å; L681-D776 WeakPolarHBondContact CA-O 3.42Å
682	R	81.6	Confident	71.1	Confident	111 Å²	111	70.4 Å²	70.4	42%	0.419	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.1	169.8	-45.5	170.9	54.9	-139.1	4.6	109.2	W745 T746 A775 D776	R682-W745 HydrophobicContact CB-CE3 3.99Å; R682-W745 HydrophobicContact CB-CZ3 4.11Å; R682-T746 VanDerWaalsContact CA-O 3.31Å; R682-T746 WeakPolarHBondContact CA-O 3.22Å; R682-A775 CarbonylContact O-C 3.09Å; R682-A775 WeakPolarHBondContact O-CA 3.44Å; R682-A775 WeakPolarHBondContact O-CB 3.48Å; R682-D776 WeakPolarHBondContact CB-OD1 3.2Å; R682-D776 WeakPolarHBondContact CD-OD1 3.32Å; R682-D776 WeakPolarHBondContact CG-OD1 3.45Å; R682-D776 IonicContact CZ-OD2 3.59Å; R682-D776 PolarHBondContact N-O 2.87Å; R682-D776 IonicContact NH1-OD2 2.92Å; R682-D776 PolarHBondContact NH1-OD2 2.75Å; R682-D776 PolarHBondContact O-N 2.91Å
683	C	75.6	Confident	68.9	Low	6 Å²	6	77.2 Å²	77.2	4%	0.041	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.3	-173.2	53.1	0	0	0	0	110.2	A686 C738 W745 T746	C683-A686 HydrophobicContact CB-CB 4.32Å; C683-C738 HydrophobicContact CB-CB 3.87Å; C683-C738 WeakPolarHBondContact CB-SG 3.39Å; C683-C738 WeakPolarHBondContact SG-CA 3.11Å; C683-C738 WeakPolarHBondContact SG-CB 3.2Å; C683-C738 CovalentContact SG-SG 2.03Å; C683-C738 PolarHBondContact SG-SG 2.91Å; C683-W745 VanDerWaalsContact C-CE3 3.41Å; C683-W745 WeakPolarHBondContact O-CA 2.95Å; C683-T746 PolarHBondContact N-O 3.14Å; C683-T746 PolarHBondContact O-N 3.17Å; C683-T746 VanDerWaalsContact O-N 3.17Å; C683-T746 PolarHBondContact SG-OG1 3.38Å
684	G	65.6	Low	67.1	Low	4 Å²	4	75.3 Å²	75.3	4%	0.041	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.3	173.4	0	0	0	0	0	109.4	A686 E774	G684-A686 PolarHBondContact O-N 2.85Å; G684-E774 PolarHBondContact N-O 3.3Å; G684-E774 PolarHBondContact O-N 3.03Å; G684-E774 VanDerWaalsContact O-O 3.12Å
685	T	60.4	Low	65.3	Low	61 Å²	61	72.6 Å²	72.6	37%	0.374	36%	0.359	S	S	.	.	S	Bend	trans	45.9	58.9	-174.4	38.9	0	0	0	0	113.4	N743	T685-N743 HydrophobicContact CG2-CB 4.43Å; T685-N743 WeakPolarHBondContact CG2-OD1 3.2Å
686	A	50.5	Low	63.7	Low	17 Å²	17	75.7 Å²	75.7	14%	0.14	38%	0.38	C	S	.	.			trans	-124.6	112.8	172.1	0	0	0	0	0	108.8	C683 G684	C683-A686 HydrophobicContact CB-CB 4.32Å; G684-A686 PolarHBondContact O-N 2.85Å
687	R	50.4	Low	62.3	Low	182 Å²	182	75.9 Å²	75.9	69%	0.687	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-89	119.8	161.7	-168.8	178.3	-173.2	-176	2.7	106.4	P689	R687-P689 VanDerWaalsContact O-CD 3.31Å; R687-P689 WeakPolarHBondContact O-CD 3.35Å; R687-P689 VanDerWaalsContact O-N 3.16Å
688	R	49.3	Very low	61.3	Low	113 Å²	113	76.9 Å²	76.9	43%	0.426	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-54.6	120.5	170.7	-122	-175.5	-170	155.1	-5.1	108.2	D690 D739	R688-D690 PolarHBondContact O-N 2.85Å; R688-D739 WeakPolarHBondContact CD-OD1 2.91Å; R688-D739 IonicContact CZ-OD1 3.28Å; R688-D739 IonicContact NH1-OD1 3.95Å; R688-D739 PolarHBondContact NH1-OD1 2.69Å; R688-D739 IonicContact NH1-OD2 3.56Å
689	P	44.5	Very low	60.8	Low	46 Å²	46	73.4 Å²	73.4	30%	0.299	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-72	122.3	172	-6.1	21.5	0	0	0	107.4	R687 S691 L697 T768	R687-P689 VanDerWaalsContact O-CD 3.31Å; R687-P689 WeakPolarHBondContact O-CD 3.35Å; R687-P689 VanDerWaalsContact O-N 3.16Å; P689-S691 PolarHBondContact O-N 2.8Å; P689-S691 VanDerWaalsContact O-N 3.13Å; P689-L697 HydrophobicContact CB-CD1 4.02Å; P689-L697 HydrophobicContact CG-CD1 3.78Å; P689-L697 WeakPolarHBondContact O-CD1 3.21Å; P689-T768 HydrophobicContact CG-CG2 4.06Å; P689-T768 WeakPolarHBondContact CG-O 3.28Å
690	D	43.8	Very low	60.8	Low	159 Å²	159	73.6 Å²	73.6	85%	0.85	38%	0.376	S	S	*	.			trans	-64.7	110.4	160.5	-136.7	-4.2	0	0	0	106.1	R688 R692	R688-D690 PolarHBondContact O-N 2.85Å; D690-R692 PolarHBondContact O-N 2.8Å
691	S	41.3	Very low	60.8	Low	35 Å²	35	73.1 Å²	73.1	25%	0.245	37%	0.372	C	S	.	.			trans	-62.4	111	174	170.9	0	0	0	0	107.3	P689 D693 G694 T695	P689-S691 PolarHBondContact O-N 2.8Å; P689-S691 VanDerWaalsContact O-N 3.13Å; S691-D693 PolarHBondContact O-N 3.43Å; S691-D693 PolarHBondContact OG-N 2.87Å; S691-G694 PolarHBondContact O-N 2.03Å; S691-G694 VanDerWaalsContact O-N 3.11Å; S691-G694 PolarHBondContact OG-N 2.86Å; S691-T695 WeakPolarHBondContact CB-O 3.38Å; S691-T695 PolarHBondContact OG-N 3.07Å; S691-T695 PolarHBondContact OG-OG1 2.78Å
692	R	44.3	Very low	61.1	Low	249 Å²	249	71.8 Å²	71.8	94%	0.94	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-10.9	175.1	-72.3	-174.4	176	-172.8	-1	113.1	D690	D690-R692 PolarHBondContact O-N 2.8Å
693	D	44.8	Very low	61.2	Low	149 Å²	149	69.1 Å²	69.1	80%	0.797	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	2.3	-179.6	-66.2	-25.4	0	0	0	114.1	S691 T695	S691-D693 PolarHBondContact O-N 3.43Å; S691-D693 PolarHBondContact OG-N 2.87Å; D693-T695 VanDerWaalsContact C-N 3.3Å; D693-T695 PolarHBondContact O-N 3.45Å
694	G	48.8	Very low	61.5	Low	68 Å²	68	71.7 Å²	71.7	70%	0.701	37%	0.371	S	S	*	.			trans	75.3	8.3	176.7	0	0	0	0	0	116	S691	S691-G694 PolarHBondContact O-N 2.03Å; S691-G694 VanDerWaalsContact O-N 3.11Å; S691-G694 PolarHBondContact OG-N 2.86Å
695	T	53.1	Low	62.2	Low	88 Å²	88	77.8 Å²	77.8	54%	0.54	40%	0.402	S	S	.	.			trans	-75.8	126.3	175.2	27.4	0	0	0	0	112.1	S691 D693 L697	S691-T695 WeakPolarHBondContact CB-O 3.38Å; S691-T695 PolarHBondContact OG-N 3.07Å; S691-T695 PolarHBondContact OG-OG1 2.78Å; D693-T695 VanDerWaalsContact C-N 3.3Å; D693-T695 PolarHBondContact O-N 3.45Å; T695-L697 PolarHBondContact O-N 2.84Å
696	P	58.7	Low	63.3	Low	67 Å²	67	79.7 Å²	79.7	44%	0.435	41%	0.407	S	S	.	.			trans	-73.1	123.3	-178.5	28	-33.4	0	0	0	111.7	S698 T709	P696-S698 VanDerWaalsContact C-N 3.31Å; P696-S698 PolarHBondContact O-N 2.79Å; P696-T709 HydrophobicContact CB-CG2 3.46Å; P696-T709 VanDerWaalsContact CB-CG2 3.46Å; P696-T709 HydrophobicContact CG-CG2 3.61Å
697	L	63.1	Low	64.7	Low	51 Å²	51	83.4 Å²	83.4	27%	0.267	43%	0.428	S	S	.	.	S	Bend	trans	-79.4	-10.7	-177.4	-65.6	170.5	0	0	0	114	P689 T695 T766	P689-L697 HydrophobicContact CB-CD1 4.02Å; P689-L697 HydrophobicContact CG-CD1 3.78Å; P689-L697 WeakPolarHBondContact O-CD1 3.21Å; T695-L697 PolarHBondContact O-N 2.84Å; L697-T766 VanDerWaalsContact C-OG1 3.27Å; L697-T766 VanDerWaalsContact CA-OG1 3.24Å; L697-T766 WeakPolarHBondContact CA-OG1 3.45Å; L697-T766 WeakPolarHBondContact O-CB 3.38Å; L697-T766 PolarHBondContact O-N 3.26Å; L697-T766 PolarHBondContact O-OG1 3.31Å
698	S	71.9	Confident	66	Low	20 Å²	20	75.8 Å²	75.8	14%	0.14	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	143.5	177.9	57.5	0	0	0	0	110.5	P696 W711 V764 M765	P696-S698 VanDerWaalsContact C-N 3.31Å; P696-S698 PolarHBondContact O-N 2.79Å; S698-W711 PolarHBondContact OG-NE1 3.45Å; S698-V764 WeakPolarHBondContact CA-O 3.3Å; S698-M765 WeakPolarHBondContact CB-SD 3.23Å
699	W	77.9	Confident	67.1	Low	69 Å²	69	74 Å²	74	26%	0.261	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	163	175.3	64.8	94.2	0	0	0	110.6	H708 T709 V764 T766	W699-H708 CarbonylContact C-O 3.49Å; W699-H708 VanDerWaalsContact CA-O 3.26Å; W699-H708 WeakPolarHBondContact CA-O 3.15Å; W699-H708 VanDerWaalsContact CB-O 3.31Å; W699-H708 WeakPolarHBondContact CB-O 3.18Å; W699-T709 HydrophobicContact CB-CG2 4.08Å; W699-V764 HydrophobicContact CD2-CB 3.99Å; W699-V764 HydrophobicContact CD2-CG1 4.43Å; W699-V764 HydrophobicContact CE3-CB 4.46Å; W699-V764 HydrophobicContact CH2-CB 4.17Å; W699-V764 HydrophobicContact CH2-CG1 3.56Å; W699-V764 HydrophobicContact CZ2-CB 3.67Å; W699-V764 HydrophobicContact CZ2-CG1 3.43Å; W699-V764 VanDerWaalsContact CZ2-CG1 3.43Å; W699-V764 HydrophobicContact CZ2-CG2 3.98Å; W699-V764 HydrophobicContact CZ3-CG1 4.12Å; W699-V764 PolarHBondContact N-O 3.17Å; W699-V764 VanDerWaalsContact N-O 3.08Å; W699-V764 PolarHBondContact O-N 2.96Å; W699-T766 HydrophobicContact CH2-CG2 4.19Å; W699-T766 HydrophobicContact CZ3-CG2 3.88Å
700	W	85	Confident	67.9	Low	7 Å²	7	73.2 Å²	73.2	3%	0.027	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.9	172.1	62.3	-85.4	0	0	0	110.2	H708 S710 W711 L752 H757 V760 Q762 I763	W700-H708 VanDerWaalsContact CD1-O 3.31Å; W700-H708 HydrophobicContact CD2-CB 3.79Å; W700-H708 AromaticContact CE2-CG 3.93Å; W700-H708 HydrophobicContact CE3-CB 4.37Å; W700-H708 AromaticContact CE3-CD2 3.95Å; W700-H708 HydrophobicContact CG-CB 4.23Å; W700-H708 HydrophobicContact CH2-CB 4.18Å; W700-H708 AromaticContact CH2-CD2 3.61Å; W700-H708 AromaticContact CH2-CG 3.84Å; W700-H708 HydrophobicContact CZ2-CB 3.55Å; W700-H708 AromaticContact CZ2-CD2 3.92Å; W700-H708 AromaticContact CZ2-CG 3.67Å; W700-H708 AromaticContact CZ3-CD2 3.62Å; W700-H708 PolarHBondContact N-O 3.49Å; W700-H708 PolarHBondContact O-N 3.48Å; W700-S710 PolarHBondContact NE1-O 3.02Å; W700-S710 VanDerWaalsContact NE1-O 3.16Å; W700-W711 HydrophobicContact CB-CH2 4.03Å; W700-W711 HydrophobicContact CB-CZ3 4.24Å; W700-W711 AromaticContact CD1-CE3 3.82Å; W700-W711 AromaticContact CD1-CH2 3.76Å; W700-W711 AromaticContact CD1-CZ3 3.45Å; W700-W711 VanDerWaalsContact CD1-CZ3 3.45Å; W700-W711 HydrophobicContact CG-CH2 4.26Å; W700-W711 HydrophobicContact CG-CZ3 4.09Å; W700-L752 HydrophobicContact CD2-CD1 4.3Å; W700-L752 HydrophobicContact CE3-CD1 4.49Å; W700-L752 HydrophobicContact CH2-CD1 4.38Å; W700-L752 HydrophobicContact CZ2-CD1 4.2Å; W700-L752 HydrophobicContact CZ2-CD2 3.97Å; W700-H757 HydrophobicContact CH2-CB 3.57Å; W700-H757 HydrophobicContact CZ3-CB 4Å; W700-V760 HydrophobicContact CB-CG1 4.31Å; W700-V760 HydrophobicContact CD2-CG2 4.48Å; W700-V760 HydrophobicContact CE3-CG1 4.42Å; W700-V760 HydrophobicContact CE3-CG2 3.88Å; W700-V760 HydrophobicContact CZ3-CG2 4.22Å; W700-Q762 CarbonylContact C-O 3.54Å; W700-Q762 WeakPolarHBondContact CA-O 3.4Å; W700-I763 HydrophobicContact CB-CG1 4.21Å
701	V	86.2	Confident	69	Low	4 Å²	4	66.7 Å²	66.7	2%	0.024	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.4	178.3	-173.1	0	0	0	0	108.3	T707 T761 Q762	V701-T707 HydrophobicContact CG2-CG2 4.24Å; V701-T761 PolarHBondContact O-N 3.04Å; V701-T761 PolarHBondContact O-OG1 3.37Å; V701-T761 VanDerWaalsContact O-OG1 3.12Å; V701-Q762 HydrophobicContact CB-CB 3.97Å; V701-Q762 HydrophobicContact CG2-CB 4.17Å; V701-Q762 PolarHBondContact N-O 3.14Å; V701-Q762 PolarHBondContact O-N 3.19Å
702	G	85.9	Confident	69.6	Low	2 Å²	2	65.4 Å²	65.4	2%	0.021	35%	0.353	C	S	.	.			trans	-94.9	-161.9	179.6	0	0	0	0	0	113.6	T704 N705 H757 P759 T761	G702-T704 VanDerWaalsContact C-N 3.27Å; G702-T704 PolarHBondContact O-N 3.21Å; G702-N705 PolarHBondContact O-N 2.78Å; G702-H757 CarbonylContact C-O 3.53Å; G702-H757 WeakPolarHBondContact CA-O 3.27Å; G702-P759 CarbonylContact C-O 3.59Å; G702-T761 PolarHBondContact O-OG1 3.29Å; G702-T761 VanDerWaalsContact O-OG1 3.09Å
703	R	84.6	Confident	70.1	Confident	55 Å²	55	54.3 Å²	54.3	21%	0.208	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-17	175.1	68.4	163.6	179.8	-176.5	13.1	114.7	V669 N670 N705 K755 E756 H757 L758 P759	V669-R703 VanDerWaalsContact CG1-NH1 3.32Å; N670-R703 PolarHBondContact OD1-NH1 3.46Å; N670-R703 VanDerWaalsContact OD1-NH1 3.07Å; N670-R703 PolarHBondContact OD1-NH2 3.14Å; R703-N705 VanDerWaalsContact C-N 3.31Å; R703-K755 PolarHBondContact NH2-O 3.12Å; R703-E756 PolarHBondContact NE-O 2.96Å; R703-E756 PolarHBondContact NH2-O 2.68Å; R703-H757 PolarHBondContact N-O 2.74Å; R703-L758 WeakPolarHBondContact CD-O 3.05Å; R703-L758 VanDerWaalsContact CG-O 3.23Å; R703-L758 WeakPolarHBondContact CG-O 3.45Å; R703-L758 PolarHBondContact NE-O 2.81Å; R703-P759 PolarHBondContact N-O 2.96Å
704	T	80.8	Confident	70.2	Confident	60 Å²	60	50.4 Å²	50.4	37%	0.368	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.3	178.1	51.9	0	0	0	0	112.6	G702 E706	G702-T704 VanDerWaalsContact C-N 3.27Å; G702-T704 PolarHBondContact O-N 3.21Å; T704-E706 WeakPolarHBondContact CB-OE2 3.41Å; T704-E706 PolarHBondContact O-N 3.03Å; T704-E706 PolarHBondContact OG1-OE2 3.43Å
705	N	81.9	Confident	70.3	Confident	131 Å²	131	52.4 Å²	52.4	70%	0.701	30%	0.295	S	S	*	.			trans	58.8	18.8	-172.6	-154.9	36.4	0	0	0	113.7	G702 R703	G702-N705 PolarHBondContact O-N 2.78Å; R703-N705 VanDerWaalsContact C-N 3.31Å
706	E	81.9	Confident	70.3	Confident	102 Å²	102	51.9 Å²	51.9	48%	0.477	29%	0.293	S	S	.	.			trans	-86.6	144.1	174	-67.6	166.2	159.4	0	0	109.6	T704 H708	T704-E706 WeakPolarHBondContact CB-OE2 3.41Å; T704-E706 PolarHBondContact O-N 3.03Å; T704-E706 PolarHBondContact OG1-OE2 3.43Å; E706-H708 PolarHBondContact O-CD2 3.43Å; E706-H708 VanDerWaalsContact O-CD2 3.3Å
707	T	80.9	Confident	69.9	Low	94 Å²	94	55.8 Å²	55.8	58%	0.577	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.4	178.4	53.6	0	0	0	0	110.2	V701	V701-T707 HydrophobicContact CG2-CG2 4.24Å
708	H	77.8	Confident	69.6	Low	22 Å²	22	54.4 Å²	54.4	10%	0.102	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.3	179	-60.7	-81.1	0	0	0	110.4	W699 W700 E706 H757	W699-H708 CarbonylContact C-O 3.49Å; W699-H708 VanDerWaalsContact CA-O 3.26Å; W699-H708 WeakPolarHBondContact CA-O 3.15Å; W699-H708 VanDerWaalsContact CB-O 3.31Å; W699-H708 WeakPolarHBondContact CB-O 3.18Å; W700-H708 VanDerWaalsContact CD1-O 3.31Å; W700-H708 HydrophobicContact CD2-CB 3.79Å; W700-H708 AromaticContact CE2-CG 3.93Å; W700-H708 HydrophobicContact CE3-CB 4.37Å; W700-H708 AromaticContact CE3-CD2 3.95Å; W700-H708 HydrophobicContact CG-CB 4.23Å; W700-H708 HydrophobicContact CH2-CB 4.18Å; W700-H708 AromaticContact CH2-CD2 3.61Å; W700-H708 AromaticContact CH2-CG 3.84Å; W700-H708 HydrophobicContact CZ2-CB 3.55Å; W700-H708 AromaticContact CZ2-CD2 3.92Å; W700-H708 AromaticContact CZ2-CG 3.67Å; W700-H708 AromaticContact CZ3-CD2 3.62Å; W700-H708 PolarHBondContact N-O 3.49Å; W700-H708 PolarHBondContact O-N 3.48Å; E706-H708 PolarHBondContact O-CD2 3.43Å; E706-H708 VanDerWaalsContact O-CD2 3.3Å; H708-H757 AromaticContact CE1-CD2 3.39Å; H708-H757 PolarHBondContact CE1-CD2 3.33Å; H708-H757 AromaticContact CE1-CE1 3.58Å; H708-H757 AromaticContact CE1-CG 3.41Å; H708-H757 VanDerWaalsContact CE1-CG 3.41Å; H708-H757 AromaticContact CE1-ND1 3.51Å; H708-H757 AromaticContact CE1-NE2 3.53Å; H708-H757 AromaticContact NE2-CD2 3.58Å; H708-H757 AromaticContact NE2-CG 3.52Å
709	T	71.1	Confident	69.1	Low	76 Å²	76	61.5 Å²	61.5	47%	0.466	34%	0.337	S	S	.	.			trans	-97.4	-11.1	178.4	55.2	0	0	0	0	112.3	P696 W699	P696-T709 HydrophobicContact CB-CG2 3.46Å; P696-T709 VanDerWaalsContact CB-CG2 3.46Å; P696-T709 HydrophobicContact CG-CG2 3.61Å; W699-T709 HydrophobicContact CB-CG2 4.08Å
710	S	62.8	Low	68.6	Low	29 Å²	29	61.8 Å²	61.8	20%	0.203	34%	0.34	C	S	.	.			trans	-81.3	130.2	178.5	59.7	0	0	0	0	111.3	W700 P716	W700-S710 PolarHBondContact NE1-O 3.02Å; W700-S710 VanDerWaalsContact NE1-O 3.16Å; S710-P716 WeakPolarHBondContact CB-O 3.5Å
711	W	66.4	Low	67.8	Low	23 Å²	23	61.6 Å²	61.6	9%	0.087	34%	0.34	C	S	.	.			trans	-111	10.6	179.1	-62.9	102.8	0	0	0	113	L679 S698 W700 I750 I763 M765	L679-W711 HydrophobicContact CD2-CE3 3.7Å; L679-W711 HydrophobicContact CD2-CH2 3.86Å; L679-W711 HydrophobicContact CD2-CZ3 3.08Å; S698-W711 PolarHBondContact OG-NE1 3.45Å; W700-W711 HydrophobicContact CB-CH2 4.03Å; W700-W711 HydrophobicContact CB-CZ3 4.24Å; W700-W711 AromaticContact CD1-CE3 3.82Å; W700-W711 AromaticContact CD1-CH2 3.76Å; W700-W711 AromaticContact CD1-CZ3 3.45Å; W700-W711 VanDerWaalsContact CD1-CZ3 3.45Å; W700-W711 HydrophobicContact CG-CH2 4.26Å; W700-W711 HydrophobicContact CG-CZ3 4.09Å; W711-I750 HydrophobicContact CB-CD1 3.84Å; W711-I750 HydrophobicContact CB-CG1 4.42Å; W711-I750 HydrophobicContact CD2-CD1 4.12Å; W711-I750 HydrophobicContact CE3-CD1 3.76Å; W711-I750 HydrophobicContact CG-CD1 4.23Å; W711-I750 WeakPolarHBondContact O-CG2 3.43Å; W711-I763 HydrophobicContact CH2-CG2 4.39Å; W711-M765 HydrophobicContact CH2-CE 4.07Å; W711-M765 HydrophobicContact CZ2-CE 4.03Å
712	G	54.7	Low	67.2	Low	7 Å²	7	62.9 Å²	62.9	7%	0.072	35%	0.347	C	S	.	.	S	Bend	trans	-94.1	121.9	179.8	0	0	0	0	0	112.6	S714 K720	G712-S714 PolarHBondContact O-N 3.35Å; G712-K720 VanDerWaalsContact CA-O 3.26Å; G712-K720 WeakPolarHBondContact CA-O 3Å
713	G	54.3	Low	66.6	Low	17 Å²	17	63.3 Å²	63.3	18%	0.175	35%	0.35	C	S	.	.	S	Bend	trans	-66.6	23.4	-167.3	0	0	0	0	0	119.3	V751 S753	G713-V751 WeakPolarHBondContact CA-O 3.22Å; G713-S753 PolarHBondContact O-OG 2.72Å
714	S	46.6	Very low	66.1	Low	67 Å²	67	61.2 Å²	61.2	47%	0.469	35%	0.346	S	S	.	.	S	Bend	trans	-163.4	-26.5	173.4	48.4	0	0	0	0	116.4	G712 Q754	G712-S714 PolarHBondContact O-N 3.35Å; S714-Q754 PolarHBondContact O-NE2 2.96Å; S714-Q754 VanDerWaalsContact O-NE2 3.13Å
715	L	51.6	Low	65.7	Low	109 Å²	109	62.2 Å²	62.2	57%	0.571	35%	0.348	S	S	*	.			trans	-128.5	129.5	-176.1	-82.5	149.4	0	0	0	111.2	D717 A718	L715-D717 PolarHBondContact O-N 2.56Å; L715-D717 VanDerWaalsContact O-N 3.09Å; L715-A718 HydrophobicContact CB-CB 4.16Å; L715-A718 PolarHBondContact O-N 2.75Å; L715-A718 VanDerWaalsContact O-N 3.16Å
716	P	51.3	Low	65.4	Low	78 Å²	78	62.2 Å²	62.2	51%	0.506	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.5	-179.5	-25.4	33.6	0	0	0	114.7	S710	S710-P716 WeakPolarHBondContact CB-O 3.5Å
717	D	52	Low	65.2	Low	149 Å²	149	60.5 Å²	60.5	80%	0.797	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.2	-175.4	-62.4	-36.5	0	0	0	114.4	L715 Q719	L715-D717 PolarHBondContact O-N 2.56Å; L715-D717 VanDerWaalsContact O-N 3.09Å; D717-Q719 PolarHBondContact O-N 2.9Å; D717-Q719 VanDerWaalsContact O-N 3.16Å
718	A	55.1	Low	65.2	Low	21 Å²	21	60.6 Å²	60.6	17%	0.174	35%	0.351	C	S	.	.			trans	-83.6	94.3	-179.2	0	0	0	0	0	110.3	L715 K720 L725	L715-A718 HydrophobicContact CB-CB 4.16Å; L715-A718 PolarHBondContact O-N 2.75Å; L715-A718 VanDerWaalsContact O-N 3.16Å; A718-K720 PolarHBondContact O-N 3.1Å; A718-L725 HydrophobicContact CB-CD2 4.28Å
719	Q	62.1	Low	65.3	Low	169 Å²	169	60.4 Å²	60.4	79%	0.79	35%	0.352	S	S	*	.			trans	-70.6	45.6	172.4	-63.5	-171.4	-12.9	0	0	113	D717	D717-Q719 PolarHBondContact O-N 2.9Å; D717-Q719 VanDerWaalsContact O-N 3.16Å
720	K	67.3	Low	65.7	Low	76 Å²	76	62.3 Å²	62.3	33%	0.33	36%	0.358	S	S	.	.			trans	-129.3	143.8	-175.8	-57	-169	174.8	-172	0	112	G712 A718 G724 L725 Y735	G712-K720 VanDerWaalsContact CA-O 3.26Å; G712-K720 WeakPolarHBondContact CA-O 3Å; A718-K720 PolarHBondContact O-N 3.1Å; K720-G724 WeakPolarHBondContact CD-O 3.48Å; K720-L725 HydrophobicContact CB-CD2 4.16Å; K720-L725 HydrophobicContact CB-CG 4.13Å; K720-L725 HydrophobicContact CD-CD2 4.34Å; K720-Y735 HydrophobicContact CD-CD1 4.05Å; K720-Y735 HydrophobicContact CG-CD1 4.01Å; K720-Y735 HydrophobicContact CG-CG 4.04Å
721	C	69.6	Low	66.3	Low	2 Å²	2	63.1 Å²	63.1	1%	0.014	36%	0.36	C	S	.	.			trans	-69	173.5	167.1	63.7	0	0	0	0	110.7	C723 G724 L725 Y735 C736 D748	C721-C723 WeakPolarHBondContact CB-SG 3.42Å; C721-C723 PolarHBondContact O-N 3.3Å; C721-C723 VanDerWaalsContact SG-CA 3.56Å; C721-C723 WeakPolarHBondContact SG-CB 3.27Å; C721-C723 PolarHBondContact SG-N 3.45Å; C721-C723 CovalentContact SG-SG 2.07Å; C721-C723 PolarHBondContact SG-SG 2.02Å; C721-G724 PolarHBondContact O-N 3.29Å; C721-G724 VanDerWaalsContact O-N 3.08Å; C721-G724 PolarHBondContact SG-N 2.88Å; C721-L725 WeakPolarHBondContact O-CG 3.19Å; C721-L725 PolarHBondContact O-N 2.86Å; C721-Y735 PolarHBondContact N-O 3.08Å; C721-Y735 VanDerWaalsContact N-O 3.17Å; C721-Y735 PolarHBondContact SG-O 3.36Å; C721-C736 HydrophobicContact CB-CB 3.82Å; C721-C736 PolarHBondContact N-SG 3.24Å; C721-C736 WeakPolarHBondContact SG-CA 3.11Å; C721-D748 HydrophobicContact CB-CB 4.41Å
722	T	73	Confident	66.7	Low	31 Å²	31	67.6 Å²	67.6	19%	0.19	40%	0.395	C	S	.	.	H	α-helix	trans	-51.8	-44.1	169.4	-49.9	0	0	0	0	111.4	G724 L725 E726 T749	T722-G724 VanDerWaalsContact C-N 3.35Å; T722-G724 PolarHBondContact O-N 2.87Å; T722-L725 PolarHBondContact O-N 2.72Å; T722-E726 WeakPolarHBondContact O-CG 3.48Å; T722-E726 PolarHBondContact O-N 3.15Å; T722-T749 WeakPolarHBondContact CB-O 3.35Å; T722-T749 PolarHBondContact N-O 3.39Å; T722-T749 PolarHBondContact OG1-O 3.21Å
723	C	73.1	Confident	67.6	Low	12 Å²	12	74.8 Å²	74.8	8%	0.081	43%	0.427	C	S	.	.	H	α-helix	trans	-60.6	-37.5	177.3	36.2	0	0	0	0	114.8	C721 E726 G727 N728 C729 D748	C721-C723 WeakPolarHBondContact CB-SG 3.42Å; C721-C723 PolarHBondContact O-N 3.3Å; C721-C723 VanDerWaalsContact SG-CA 3.56Å; C721-C723 WeakPolarHBondContact SG-CB 3.27Å; C721-C723 PolarHBondContact SG-N 3.45Å; C721-C723 CovalentContact SG-SG 2.07Å; C721-C723 PolarHBondContact SG-SG 2.02Å; C723-E726 PolarHBondContact O-N 3.37Å; C723-G727 PolarHBondContact O-N 3.03Å; C723-N728 WeakPolarHBondContact CA-OD1 3.41Å; C723-N728 PolarHBondContact O-N 3.41Å; C723-N728 PolarHBondContact O-OD1 3.45Å; C723-N728 VanDerWaalsContact O-OD1 3.12Å; C723-C729 HydrophobicContact CB-CB 4.47Å; C723-C729 VanDerWaalsContact CB-SG 3.55Å; C723-C729 PolarHBondContact O-N 3.49Å; C723-D748 PolarHBondContact SG-OD1 2.04Å; C723-D748 VanDerWaalsContact SG-OD1 3.39Å
724	G	73.7	Confident	68.4	Low	11 Å²	11	78.2 Å²	78.2	11%	0.113	44%	0.435	C	S	.	.	H	α-helix	trans	-79.3	-24	-179.9	0	0	0	0	0	112.5	K720 C721 T722 C729 Y735	K720-G724 WeakPolarHBondContact CD-O 3.48Å; C721-G724 PolarHBondContact O-N 3.29Å; C721-G724 VanDerWaalsContact O-N 3.08Å; C721-G724 PolarHBondContact SG-N 2.88Å; T722-G724 VanDerWaalsContact C-N 3.35Å; T722-G724 PolarHBondContact O-N 2.87Å; G724-C729 VanDerWaalsContact CA-SG 3.5Å; G724-C729 PolarHBondContact N-SG 3.25Å; G724-Y735 WeakPolarHBondContact CA-O 3.26Å
725	L	72.9	Confident	69.7	Low	81 Å²	81	81.4 Å²	81.4	42%	0.424	44%	0.438	S	S	.	.	H	α-helix	trans	-74.9	-39.4	169	-68	172.4	0	0	0	111.4	A718 K720 C721 T722 G727	A718-L725 HydrophobicContact CB-CD2 4.28Å; K720-L725 HydrophobicContact CB-CD2 4.16Å; K720-L725 HydrophobicContact CB-CG 4.13Å; K720-L725 HydrophobicContact CD-CD2 4.34Å; C721-L725 WeakPolarHBondContact O-CG 3.19Å; C721-L725 PolarHBondContact O-N 2.86Å; T722-L725 PolarHBondContact O-N 2.72Å; L725-G727 VanDerWaalsContact C-N 3.33Å
726	E	76.3	Confident	70.8	Confident	130 Å²	130	76.6 Å²	76.6	61%	0.607	41%	0.413	S	S	*	.	H	α-helix	trans	-79.7	-14.2	177.8	-69.6	178.5	-178.7	0	0	113.5	T722 C723 N728	T722-E726 WeakPolarHBondContact O-CG 3.48Å; T722-E726 PolarHBondContact O-N 3.15Å; C723-E726 PolarHBondContact O-N 3.37Å; E726-N728 VanDerWaalsContact C-N 3.33Å; E726-N728 PolarHBondContact OE2-ND2 3.07Å
727	G	76.9	Confident	72	Confident	67 Å²	67	73.8 Å²	73.8	69%	0.691	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	23.8	-179.5	0	0	0	0	0	113.7	C723 L725	C723-G727 PolarHBondContact O-N 3.03Å; L725-G727 VanDerWaalsContact C-N 3.33Å
728	N	81.1	Confident	73	Confident	95 Å²	95	67.2 Å²	67.2	51%	0.508	36%	0.359	S	S	.	.			trans	-120.6	21.6	-175.2	65.9	6.8	0	0	0	113.2	C723 E726	C723-N728 WeakPolarHBondContact CA-OD1 3.41Å; C723-N728 PolarHBondContact O-N 3.41Å; C723-N728 PolarHBondContact O-OD1 3.45Å; C723-N728 VanDerWaalsContact O-OD1 3.12Å; E726-N728 VanDerWaalsContact C-N 3.33Å; E726-N728 PolarHBondContact OE2-ND2 3.07Å
729	C	79.8	Confident	73.7	Confident	18 Å²	18	67.8 Å²	67.8	12%	0.122	36%	0.359	C	S	.	.			trans	-52.8	148.7	169	-69.5	0	0	0	0	111.3	C723 G724 D731	C723-C729 HydrophobicContact CB-CB 4.47Å; C723-C729 VanDerWaalsContact CB-SG 3.55Å; C723-C729 PolarHBondContact O-N 3.49Å; G724-C729 VanDerWaalsContact CA-SG 3.5Å; G724-C729 PolarHBondContact N-SG 3.25Å; C729-D731 WeakPolarHBondContact CB-O 3.31Å; C729-D731 PolarHBondContact O-N 2.97Å
730	I	79.3	Confident	73.9	Confident	117 Å²	117	60.7 Å²	60.7	60%	0.6	33%	0.33	S	S	*	.	S	Bend	trans	-54.7	-38.3	177	-65.8	170.1	0	0	0	110.7	N737 T746	I730-N737 HydrophobicContact CD1-CB 4.37Å; I730-N737 PolarHBondContact N-OD1 2.49Å; I730-T746 HydrophobicContact CD1-CG2 4.06Å
731	D	75.1	Confident	73.6	Confident	46 Å²	46	58.6 Å²	58.6	25%	0.246	33%	0.33	C	S	.	.	S	Bend	trans	-122.2	115.2	171	-173.8	-17.7	0	0	0	109.6	C729 Q733 Y734	C729-D731 WeakPolarHBondContact CB-O 3.31Å; C729-D731 PolarHBondContact O-N 2.97Å; D731-Q733 PolarHBondContact O-N 2.64Å; D731-Q733 VanDerWaalsContact O-N 3.11Å; D731-Q733 WeakPolarHBondContact OD1-CB 3.27Å; D731-Q733 WeakPolarHBondContact OD1-CG 3.09Å; D731-Q733 PolarHBondContact OD1-N 3.47Å; D731-Y734 HydrophobicContact CB-CD2 3.85Å; D731-Y734 HydrophobicContact CB-CE2 4.41Å; D731-Y734 PolarHBondContact O-N 3.18Å; D731-Y734 VanDerWaalsContact O-N 3.15Å; D731-Y734 WeakPolarHBondContact OD2-CE2 3.37Å
732	S	74.9	Confident	73.4	Confident	116 Å²	116	61.9 Å²	61.9	81%	0.811	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.8	179.9	59.7	0	0	0	0	114.8	Y734	S732-Y734 VanDerWaalsContact C-N 3.33Å
733	Q	72.9	Confident	72.9	Confident	158 Å²	158	67.4 Å²	67.4	74%	0.738	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-15.6	175.9	-61.5	-174	3.7	0	0	113.3	D731	D731-Q733 PolarHBondContact O-N 2.64Å; D731-Q733 VanDerWaalsContact O-N 3.11Å; D731-Q733 WeakPolarHBondContact OD1-CB 3.27Å; D731-Q733 WeakPolarHBondContact OD1-CG 3.09Å; D731-Q733 PolarHBondContact OD1-N 3.47Å
734	Y	71.1	Confident	72.8	Confident	89 Å²	89	73.8 Å²	73.8	35%	0.349	40%	0.402	S	S	.	.	S	Bend	trans	-114	149.9	-175.6	-63.4	-80.3	0	0	0	112.2	D731 S732 D739 A740	D731-Y734 HydrophobicContact CB-CD2 3.85Å; D731-Y734 HydrophobicContact CB-CE2 4.41Å; D731-Y734 PolarHBondContact O-N 3.18Å; D731-Y734 VanDerWaalsContact O-N 3.15Å; D731-Y734 WeakPolarHBondContact OD2-CE2 3.37Å; S732-Y734 VanDerWaalsContact C-N 3.33Å; Y734-D739 HydrophobicContact CD1-CB 3.99Å; Y734-D739 HydrophobicContact CG-CB 4.41Å; Y734-A740 HydrophobicContact CD2-CB 3.73Å; Y734-A740 HydrophobicContact CE2-CB 3.9Å; Y734-A740 HydrophobicContact CG-CB 4.21Å
735	Y	74	Confident	72.9	Confident	135 Å²	135	78.8 Å²	78.8	53%	0.529	42%	0.417	S	S	.	.	S	Bend	trans	-82.5	-18.2	179.1	-64.6	-40.8	0	0	0	113.6	K720 C721 G724	K720-Y735 HydrophobicContact CD-CD1 4.05Å; K720-Y735 HydrophobicContact CG-CD1 4.01Å; K720-Y735 HydrophobicContact CG-CG 4.04Å; C721-Y735 PolarHBondContact N-O 3.08Å; C721-Y735 VanDerWaalsContact N-O 3.17Å; C721-Y735 PolarHBondContact SG-O 3.36Å; G724-Y735 WeakPolarHBondContact CA-O 3.26Å
736	C	74.8	Confident	73.2	Confident	7 Å²	7	75.6 Å²	75.6	5%	0.047	40%	0.401	C	S	.	.	S	Bend	trans	-141.3	154.6	170.3	-38.4	0	0	0	0	112.2	C721 C738 D739 D748	C721-C736 HydrophobicContact CB-CB 3.82Å; C721-C736 PolarHBondContact N-SG 3.24Å; C721-C736 WeakPolarHBondContact SG-CA 3.11Å; C736-C738 VanDerWaalsContact C-N 3.31Å; C736-C738 PolarHBondContact O-N 2.9Å; C736-D739 VanDerWaalsContact CB-OD2 3.23Å; C736-D739 WeakPolarHBondContact CB-OD2 3.46Å; C736-D739 PolarHBondContact N-OD2 3.46Å; C736-D739 WeakPolarHBondContact O-CB 3.05Å; C736-D739 PolarHBondContact O-N 2.79Å; C736-D739 VanDerWaalsContact O-N 3.1Å; C736-D739 PolarHBondContact SG-OD2 2.79Å; C736-D748 VanDerWaalsContact CB-OD2 3.28Å; C736-D748 WeakPolarHBondContact CB-OD2 3.24Å
737	N	76.2	Confident	73.4	Confident	20 Å²	20	72 Å²	72	11%	0.107	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-65	-36	178.6	-64.9	-38.6	0	0	0	111.4	I730 D739 A740 T746 S747 D748	I730-N737 HydrophobicContact CD1-CB 4.37Å; I730-N737 PolarHBondContact N-OD1 2.49Å; N737-D739 PolarHBondContact O-N 2.86Å; N737-A740 PolarHBondContact O-N 2.83Å; N737-T746 PolarHBondContact O-OG1 2.85Å; N737-S747 PolarHBondContact ND2-O 3.43Å; N737-D748 VanDerWaalsContact CB-OD1 3.31Å; N737-D748 WeakPolarHBondContact CB-OD1 3.38Å; N737-D748 PolarHBondContact N-OD1 2.95Å
738	C	74.3	Confident	73.3	Confident	11 Å²	11	69.1 Å²	69.1	7%	0.074	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-72.3	-8.6	175.3	-71.8	0	0	0	0	114.2	C683 C736 A740 D748	C683-C738 HydrophobicContact CB-CB 3.87Å; C683-C738 WeakPolarHBondContact CB-SG 3.39Å; C683-C738 WeakPolarHBondContact SG-CA 3.11Å; C683-C738 WeakPolarHBondContact SG-CB 3.2Å; C683-C738 CovalentContact SG-SG 2.03Å; C683-C738 PolarHBondContact SG-SG 2.91Å; C736-C738 VanDerWaalsContact C-N 3.31Å; C736-C738 PolarHBondContact O-N 2.9Å; C738-A740 VanDerWaalsContact C-N 3.32Å; C738-D748 WeakPolarHBondContact CB-OD2 3.35Å; C738-D748 PolarHBondContact N-OD2 2.79Å; C738-D748 PolarHBondContact SG-OD2 3.31Å; C738-D748 VanDerWaalsContact SG-OD2 3.38Å
739	D	69.3	Low	73.2	Confident	32 Å²	32	66.3 Å²	66.3	17%	0.171	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-80.9	-17.4	176	-57.5	-29.8	0	0	0	111.7	R688 Y734 C736 N737 G741	R688-D739 WeakPolarHBondContact CD-OD1 2.91Å; R688-D739 IonicContact CZ-OD1 3.28Å; R688-D739 IonicContact NH1-OD1 3.95Å; R688-D739 PolarHBondContact NH1-OD1 2.69Å; R688-D739 IonicContact NH1-OD2 3.56Å; Y734-D739 HydrophobicContact CD1-CB 3.99Å; Y734-D739 HydrophobicContact CG-CB 4.41Å; C736-D739 VanDerWaalsContact CB-OD2 3.23Å; C736-D739 WeakPolarHBondContact CB-OD2 3.46Å; C736-D739 PolarHBondContact N-OD2 3.46Å; C736-D739 WeakPolarHBondContact O-CB 3.05Å; C736-D739 PolarHBondContact O-N 2.79Å; C736-D739 VanDerWaalsContact O-N 3.1Å; C736-D739 PolarHBondContact SG-OD2 2.79Å; N737-D739 PolarHBondContact O-N 2.86Å; D739-G741 PolarHBondContact O-N 2.84Å
740	A	65.7	Low	73.2	Confident	21 Å²	21	65.8 Å²	65.8	17%	0.174	34%	0.342	C	S	.	.	S	Bend	trans	-77.3	-14.4	-176.7	0	0	0	0	0	114.4	Y734 N737 C738 Q742	Y734-A740 HydrophobicContact CD2-CB 3.73Å; Y734-A740 HydrophobicContact CE2-CB 3.9Å; Y734-A740 HydrophobicContact CG-CB 4.21Å; N737-A740 PolarHBondContact O-N 2.83Å; C738-A740 VanDerWaalsContact C-N 3.32Å; A740-Q742 VanDerWaalsContact C-N 3.29Å; A740-Q742 HydrophobicContact CB-CG 4.26Å; A740-Q742 PolarHBondContact O-N 2.85Å
741	G	62.1	Low	73.4	Confident	32 Å²	32	62.3 Å²	62.3	33%	0.33	33%	0.326	S	S	.	.			trans	59.4	30.8	171.3	0	0	0	0	0	115.7	D739	D739-G741 PolarHBondContact O-N 2.84Å
742	Q	65.1	Low	74	Confident	71 Å²	71	60.7 Å²	60.7	33%	0.332	32%	0.317	S	S	.	.			trans	-73.6	156.8	-178.9	-61.5	-174.2	7.9	0	0	112.3	A740 E744	A740-Q742 VanDerWaalsContact C-N 3.29Å; A740-Q742 HydrophobicContact CB-CG 4.26Å; A740-Q742 PolarHBondContact O-N 2.85Å; Q742-E744 PolarHBondContact O-N 2.81Å
743	N	63.4	Low	74.4	Confident	147 Å²	147	56.6 Å²	56.6	79%	0.786	29%	0.289	S	S	*	.	S	Bend	trans	-74.3	-5.1	174.8	-76.4	-4.5	0	0	0	113.2	T685	T685-N743 HydrophobicContact CG2-CB 4.43Å; T685-N743 WeakPolarHBondContact CG2-OD1 3.2Å
744	E	70.8	Confident	75	Confident	145 Å²	145	51 Å²	51	68%	0.678	26%	0.262	S	S	*	.	S	Bend	trans	-97.8	146.3	174.3	-65.6	-174	175.8	0	0	110.7	Q742 T746	Q742-E744 PolarHBondContact O-N 2.81Å; E744-T746 PolarHBondContact O-N 2.8Å
745	W	75.8	Confident	75.8	Confident	116 Å²	116	48.2 Å²	48.2	44%	0.439	25%	0.252	S	S	.	.			trans	-65.9	117.5	178.1	-82	91.7	0	0	0	110.7	R682 C683 E774	R682-W745 HydrophobicContact CB-CE3 3.99Å; R682-W745 HydrophobicContact CB-CZ3 4.11Å; C683-W745 VanDerWaalsContact C-CE3 3.41Å; C683-W745 WeakPolarHBondContact O-CA 2.95Å; W745-E774 HydrophobicContact CH2-CB 3.96Å; W745-E774 HydrophobicContact CZ2-CB 4.18Å
746	T	77.5	Confident	76.3	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.086	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	159.6	175.2	53.3	0	0	0	0	110.2	R682 C683 I730 N737 E744	R682-T746 VanDerWaalsContact CA-O 3.31Å; R682-T746 WeakPolarHBondContact CA-O 3.22Å; C683-T746 PolarHBondContact N-O 3.14Å; C683-T746 PolarHBondContact O-N 3.17Å; C683-T746 VanDerWaalsContact O-N 3.17Å; C683-T746 PolarHBondContact SG-OG1 3.38Å; I730-T746 HydrophobicContact CD1-CG2 4.06Å; N737-T746 PolarHBondContact O-OG1 2.85Å; E744-T746 PolarHBondContact O-N 2.8Å
747	S	80.8	Confident	76.9	Confident	56 Å²	56	47.5 Å²	47.5	39%	0.392	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.8	-178.2	68.3	0	0	0	0	112.1	L681 N737	L681-S747 CarbonylContact O-C 3.57Å; L681-S747 VanDerWaalsContact O-CA 3.3Å; L681-S747 WeakPolarHBondContact O-CA 3.08Å; N737-S747 PolarHBondContact ND2-O 3.43Å
748	D	75.3	Confident	77.5	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.8	167.5	-71.2	-44.5	0	0	0	109.5	A680 L681 C721 C723 C736 N737 C738	A680-D748 WeakPolarHBondContact CA-O 3.25Å; L681-D748 PolarHBondContact N-O 2.88Å; L681-D748 PolarHBondContact O-N 3.07Å; C721-D748 HydrophobicContact CB-CB 4.41Å; C723-D748 PolarHBondContact SG-OD1 2.04Å; C723-D748 VanDerWaalsContact SG-OD1 3.39Å; C736-D748 VanDerWaalsContact CB-OD2 3.28Å; C736-D748 WeakPolarHBondContact CB-OD2 3.24Å; N737-D748 VanDerWaalsContact CB-OD1 3.31Å; N737-D748 WeakPolarHBondContact CB-OD1 3.38Å; N737-D748 PolarHBondContact N-OD1 2.95Å; C738-D748 WeakPolarHBondContact CB-OD2 3.35Å; C738-D748 PolarHBondContact N-OD2 2.79Å; C738-D748 PolarHBondContact SG-OD2 3.31Å; C738-D748 VanDerWaalsContact SG-OD2 3.38Å
749	T	78.9	Confident	78.4	Confident	36 Å²	36	46.3 Å²	46.3	22%	0.221	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132	168.1	-67	0	0	0	0	108.7	R678 T722 V751	R678-T749 HydrophobicContact CG-CG2 3.86Å; R678-T749 PolarHBondContact NH2-OG1 3.13Å; T722-T749 WeakPolarHBondContact CB-O 3.35Å; T722-T749 PolarHBondContact N-O 3.39Å; T722-T749 PolarHBondContact OG1-O 3.21Å; T749-V751 HydrophobicContact CG2-CG2 4.34Å
750	I	80.7	Confident	79.4	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.4	177	-62.7	155.2	0	0	0	107.5	R678 L679 W711 L752	R678-I750 WeakPolarHBondContact CA-O 3.4Å; L679-I750 HydrophobicContact CB-CB 4.36Å; L679-I750 HydrophobicContact CD2-CD1 4.25Å; L679-I750 PolarHBondContact N-O 3.02Å; L679-I750 PolarHBondContact O-N 3.28Å; W711-I750 HydrophobicContact CB-CD1 3.84Å; W711-I750 HydrophobicContact CB-CG1 4.42Å; W711-I750 HydrophobicContact CD2-CD1 4.12Å; W711-I750 HydrophobicContact CE3-CD1 3.76Å; W711-I750 HydrophobicContact CG-CD1 4.23Å; W711-I750 WeakPolarHBondContact O-CG2 3.43Å; I750-L752 HydrophobicContact CG2-CD2 3.89Å; I750-L752 HydrophobicContact CG2-CG 4.31Å
751	V	83.4	Confident	80.5	Confident	43 Å²	43	46 Å²	46	26%	0.261	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.7	174.7	-177	0	0	0	0	108.5	E676 G713 T749	E676-V751 HydrophobicContact CB-CG1 4.06Å; G713-V751 WeakPolarHBondContact CA-O 3.22Å; T749-V751 HydrophobicContact CG2-CG2 4.34Å
752	L	86.1	Confident	81.8	Confident	12 Å²	12	47.2 Å²	47.2	6%	0.063	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.1	174.6	-58.5	176.6	0	0	0	108.3	E676 Q677 W700 I750 L758 V760	E676-L752 CarbonylContact C-O 3.55Å; E676-L752 WeakPolarHBondContact CA-O 3.29Å; Q677-L752 PolarHBondContact N-O 3.29Å; Q677-L752 PolarHBondContact O-N 3Å; W700-L752 HydrophobicContact CD2-CD1 4.3Å; W700-L752 HydrophobicContact CE3-CD1 4.49Å; W700-L752 HydrophobicContact CH2-CD1 4.38Å; W700-L752 HydrophobicContact CZ2-CD1 4.2Å; W700-L752 HydrophobicContact CZ2-CD2 3.97Å; I750-L752 HydrophobicContact CG2-CD2 3.89Å; I750-L752 HydrophobicContact CG2-CG 4.31Å; L752-L758 HydrophobicContact CB-CD2 3.87Å; L752-L758 HydrophobicContact CD1-CD2 4.33Å; L752-V760 HydrophobicContact CD1-CG2 3.4Å; L752-V760 VanDerWaalsContact CD1-CG2 3.4Å
753	S	85.4	Confident	82.8	Confident	31 Å²	31	43.9 Å²	43.9	22%	0.217	22%	0.224	C	C	.	.			trans	-125.9	-6.1	-174.8	65.6	0	0	0	0	114.4	G713 K755	G713-S753 PolarHBondContact O-OG 2.72Å; S753-K755 PolarHBondContact O-N 3.16Å; S753-K755 VanDerWaalsContact O-N 3.17Å
754	Q	85.4	Confident	83.6	Confident	39 Å²	39	37.2 Å²	37.2	18%	0.182	19%	0.189	C	C	.	.			trans	-73.5	104.1	176.1	-76.8	178.6	1.6	0	0	110.3	S714 E756 H757 L758	S714-Q754 PolarHBondContact O-NE2 2.96Å; S714-Q754 VanDerWaalsContact O-NE2 3.13Å; Q754-E756 HydrophobicContact CB-CG 4.42Å; Q754-E756 WeakPolarHBondContact CB-OE1 3.28Å; Q754-E756 WeakPolarHBondContact CG-OE1 3.11Å; Q754-E756 PolarHBondContact O-N 3.13Å; Q754-H757 PolarHBondContact O-N 3.02Å; Q754-H757 PolarHBondContact OE1-CE1 3.27Å; Q754-H757 PolarHBondContact OE1-ND1 2.73Å; Q754-L758 PolarHBondContact O-N 2.04Å
755	K	87	Confident	83.8	Confident	32 Å²	32	31.2 Å²	31.2	14%	0.139	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.2	-171.9	-170.5	171.4	116.9	160.1	0	112.8	V669 N670 A672 C675 R703 S753 H757	V669-K755 HydrophobicContact CG1-CD 4.04Å; V669-K755 HydrophobicContact CG1-CG 3.3Å; V669-K755 WeakPolarHBondContact CG1-O 3.45Å; V669-K755 WeakPolarHBondContact O-CD 3.39Å; V669-K755 WeakPolarHBondContact O-CE 3.4Å; V669-K755 PolarHBondContact O-NZ 2.93Å; N670-K755 VanDerWaalsContact CA-NZ 3.34Å; N670-K755 PolarHBondContact O-NZ 3.38Å; A672-K755 PolarHBondContact O-NZ 3.08Å; C675-K755 HydrophobicContact CB-CG 4.4Å; R703-K755 PolarHBondContact NH2-O 3.12Å; S753-K755 PolarHBondContact O-N 3.16Å; S753-K755 VanDerWaalsContact O-N 3.17Å; K755-H757 PolarHBondContact O-N 3.38Å
756	E	84.6	Confident	83.4	Confident	97 Å²	97	27.6 Å²	27.6	45%	0.453	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.1	178.4	53.3	-84.6	-166.1	0	0	113.1	R703 Q754	R703-E756 PolarHBondContact NE-O 2.96Å; R703-E756 PolarHBondContact NH2-O 2.68Å; Q754-E756 HydrophobicContact CB-CG 4.42Å; Q754-E756 WeakPolarHBondContact CB-OE1 3.28Å; Q754-E756 WeakPolarHBondContact CG-OE1 3.11Å; Q754-E756 PolarHBondContact O-N 3.13Å
757	H	86.6	Confident	82.7	Confident	30 Å²	30	27.9 Å²	27.9	14%	0.139	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-19.5	-175	-53	139.5	0	0	0	113.6	W700 G702 R703 H708 Q754 K755	W700-H757 HydrophobicContact CH2-CB 3.57Å; W700-H757 HydrophobicContact CZ3-CB 4Å; G702-H757 CarbonylContact C-O 3.53Å; G702-H757 WeakPolarHBondContact CA-O 3.27Å; R703-H757 PolarHBondContact N-O 2.74Å; H708-H757 AromaticContact CE1-CD2 3.39Å; H708-H757 PolarHBondContact CE1-CD2 3.33Å; H708-H757 AromaticContact CE1-CE1 3.58Å; H708-H757 AromaticContact CE1-CG 3.41Å; H708-H757 VanDerWaalsContact CE1-CG 3.41Å; H708-H757 AromaticContact CE1-ND1 3.51Å; H708-H757 AromaticContact CE1-NE2 3.53Å; H708-H757 AromaticContact NE2-CD2 3.58Å; H708-H757 AromaticContact NE2-CG 3.52Å; Q754-H757 PolarHBondContact O-N 3.02Å; Q754-H757 PolarHBondContact OE1-CE1 3.27Å; Q754-H757 PolarHBondContact OE1-ND1 2.73Å; K755-H757 PolarHBondContact O-N 3.38Å
758	L	89.1	Confident	81.5	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-78.3	150.4	179.8	-70	176.5	0	0	0	113.3	C675 Q677 R703 L752 Q754 V760 L782	C675-L758 HydrophobicContact CB-CD1 4.19Å; Q677-L758 HydrophobicContact CB-CD2 3.7Å; R703-L758 WeakPolarHBondContact CD-O 3.05Å; R703-L758 VanDerWaalsContact CG-O 3.23Å; R703-L758 WeakPolarHBondContact CG-O 3.45Å; R703-L758 PolarHBondContact NE-O 2.81Å; L752-L758 HydrophobicContact CB-CD2 3.87Å; L752-L758 HydrophobicContact CD1-CD2 4.33Å; Q754-L758 PolarHBondContact O-N 2.04Å; L758-V760 HydrophobicContact CD2-CG2 4.31Å; L758-L782 HydrophobicContact CB-CD1 4.05Å; L758-L782 HydrophobicContact CD1-CD1 4.23Å
759	P	92.6	Very high	80.5	Confident	4 Å²	4	29.8 Å²	29.8	3%	0.026	17%	0.174	C	C	.	.	S	Bend	cis	-80	162.9	-0.9	29.1	-33.8	0	0	0	114.3	Y658 L665 G702 R703 T761 L782	Y658-P759 HydrophobicContact CE1-CB 4.19Å; Y658-P759 HydrophobicContact CE2-CB 3.99Å; Y658-P759 HydrophobicContact CE2-CG 4.14Å; L665-P759 HydrophobicContact CD1-CG 4.12Å; G702-P759 CarbonylContact C-O 3.59Å; R703-P759 PolarHBondContact N-O 2.96Å; P759-T761 PolarHBondContact O-N 2.89Å; P759-L782 HydrophobicContact CB-CB 4.45Å; P759-L782 HydrophobicContact CB-CD1 4.28Å; P759-L782 HydrophobicContact CB-CD2 4.12Å; P759-L782 HydrophobicContact CG-CD2 4.36Å
760	V	91	Very high	79.5	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-70.3	125.9	170.6	-178.5	0	0	0	0	109.4	Y658 W700 L752 L758 I763 L779	Y658-V760 VanDerWaalsContact CE2-O 3.29Å; Y658-V760 WeakPolarHBondContact CE2-O 3.04Å; Y658-V760 PolarHBondContact OH-O 3.5Å; W700-V760 HydrophobicContact CB-CG1 4.31Å; W700-V760 HydrophobicContact CD2-CG2 4.48Å; W700-V760 HydrophobicContact CE3-CG1 4.42Å; W700-V760 HydrophobicContact CE3-CG2 3.88Å; W700-V760 HydrophobicContact CZ3-CG2 4.22Å; L752-V760 HydrophobicContact CD1-CG2 3.4Å; L752-V760 VanDerWaalsContact CD1-CG2 3.4Å; L758-V760 HydrophobicContact CD2-CG2 4.31Å; V760-I763 HydrophobicContact CG1-CD1 4.23Å; V760-I763 HydrophobicContact CG1-CG1 3.8Å; V760-L779 HydrophobicContact CB-CD1 4.29Å; V760-L779 HydrophobicContact CB-CD2 4.13Å; V760-L779 HydrophobicContact CG1-CD2 4.24Å; V760-L779 HydrophobicContact CG2-CD1 4.36Å
761	T	89.4	Confident	78.2	Confident	46 Å²	46	36.4 Å²	36.4	28%	0.282	21%	0.211	S	C	.	.			trans	-108.3	-24.7	-178.4	57.3	0	0	0	0	112.4	S655 F656 V701 G702 P759	S655-T761 CarbonylContact C-O 3.52Å; S655-T761 WeakPolarHBondContact CA-O 3.46Å; F656-T761 PolarHBondContact N-O 2.98Å; V701-T761 PolarHBondContact O-N 3.04Å; V701-T761 PolarHBondContact O-OG1 3.37Å; V701-T761 VanDerWaalsContact O-OG1 3.12Å; G702-T761 PolarHBondContact O-OG1 3.29Å; G702-T761 VanDerWaalsContact O-OG1 3.09Å; P759-T761 PolarHBondContact O-N 2.89Å
762	Q	88.7	Confident	77.1	Confident	57 Å²	57	42.2 Å²	42.2	27%	0.266	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	145	178	-168.2	-178.6	-3.8	0	0	111.5	V654 W700 V701 V764	V654-Q762 WeakPolarHBondContact O-CA 3.3Å; W700-Q762 CarbonylContact C-O 3.54Å; W700-Q762 WeakPolarHBondContact CA-O 3.4Å; V701-Q762 HydrophobicContact CB-CB 3.97Å; V701-Q762 HydrophobicContact CG2-CB 4.17Å; V701-Q762 PolarHBondContact N-O 3.14Å; V701-Q762 PolarHBondContact O-N 3.19Å; Q762-V764 HydrophobicContact CG-CG2 4.15Å
763	I	85.4	Confident	76	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.9	169	-62.5	176.8	0	0	0	108.3	V654 F656 L679 W700 W711 V760 M765 Y777 L779	V654-I763 PolarHBondContact N-O 2.95Å; V654-I763 VanDerWaalsContact N-O 3.11Å; V654-I763 PolarHBondContact O-N 2.88Å; F656-I763 HydrophobicContact CE2-CB 4.22Å; F656-I763 HydrophobicContact CE2-CD1 3.87Å; F656-I763 HydrophobicContact CE2-CG1 3.92Å; F656-I763 HydrophobicContact CZ-CD1 4.38Å; L679-I763 HydrophobicContact CD1-CD1 3.73Å; L679-I763 HydrophobicContact CD2-CD1 4.36Å; W700-I763 HydrophobicContact CB-CG1 4.21Å; W711-I763 HydrophobicContact CH2-CG2 4.39Å; V760-I763 HydrophobicContact CG1-CD1 4.23Å; V760-I763 HydrophobicContact CG1-CG1 3.8Å; I763-M765 HydrophobicContact CG2-CE 3.93Å; I763-M765 HydrophobicContact CG2-CG 4.23Å; I763-Y777 HydrophobicContact CB-CE2 4.21Å; I763-Y777 HydrophobicContact CD1-CD2 4.19Å; I763-Y777 HydrophobicContact CD1-CE2 3.98Å; I763-Y777 HydrophobicContact CG2-CE2 4.06Å; I763-L779 HydrophobicContact CD1-CD1 4.48Å
764	V	80.9	Confident	75.3	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.8	177.7	-173.1	0	0	0	0	109.7	A653 S698 W699 Q762	A653-V764 HydrophobicContact CB-CG2 4.23Å; S698-V764 WeakPolarHBondContact CA-O 3.3Å; W699-V764 HydrophobicContact CD2-CB 3.99Å; W699-V764 HydrophobicContact CD2-CG1 4.43Å; W699-V764 HydrophobicContact CE3-CB 4.46Å; W699-V764 HydrophobicContact CH2-CB 4.17Å; W699-V764 HydrophobicContact CH2-CG1 3.56Å; W699-V764 HydrophobicContact CZ2-CB 3.67Å; W699-V764 HydrophobicContact CZ2-CG1 3.43Å; W699-V764 VanDerWaalsContact CZ2-CG1 3.43Å; W699-V764 HydrophobicContact CZ2-CG2 3.98Å; W699-V764 HydrophobicContact CZ3-CG1 4.12Å; W699-V764 PolarHBondContact N-O 3.17Å; W699-V764 VanDerWaalsContact N-O 3.08Å; W699-V764 PolarHBondContact O-N 2.96Å; Q762-V764 HydrophobicContact CG-CG2 4.15Å
765	M	75.3	Confident	74.8	Confident	19 Å²	19	42.9 Å²	42.9	9%	0.094	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.6	178.2	-64.4	-74.8	-175.6	0	0	108.9	L642 L651 S652 L681 S698 W711 I763 Y777	L642-M765 HydrophobicContact CD1-CB 3.66Å; L642-M765 HydrophobicContact CD1-CG 3.86Å; L642-M765 HydrophobicContact CD2-CB 4.48Å; L651-M765 PolarHBondContact N-O 3.17Å; S652-M765 PolarHBondContact O-N 2.89Å; S652-M765 VanDerWaalsContact O-N 3.15Å; L681-M765 HydrophobicContact CD1-CE 4.46Å; S698-M765 WeakPolarHBondContact CB-SD 3.23Å; W711-M765 HydrophobicContact CH2-CE 4.07Å; W711-M765 HydrophobicContact CZ2-CE 4.03Å; I763-M765 HydrophobicContact CG2-CE 3.93Å; I763-M765 HydrophobicContact CG2-CG 4.23Å; M765-Y777 HydrophobicContact CE-CD1 4.46Å; M765-Y777 HydrophobicContact CG-CD1 4.41Å; M765-Y777 HydrophobicContact CG-CE1 4.1Å
766	T	68.1	Low	74.6	Confident	40 Å²	40	42.4 Å²	42.4	25%	0.245	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	160.3	178.9	67.7	0	0	0	0	111.5	L697 W699	L697-T766 VanDerWaalsContact C-OG1 3.27Å; L697-T766 VanDerWaalsContact CA-OG1 3.24Å; L697-T766 WeakPolarHBondContact CA-OG1 3.45Å; L697-T766 WeakPolarHBondContact O-CB 3.38Å; L697-T766 PolarHBondContact O-N 3.26Å; L697-T766 PolarHBondContact O-OG1 3.31Å; W699-T766 HydrophobicContact CH2-CG2 4.19Å; W699-T766 HydrophobicContact CZ3-CG2 3.88Å
767	D	61.2	Low	74.5	Confident	20 Å²	20	37.8 Å²	37.8	11%	0.107	22%	0.216	C	C	.	.			trans	-67	135.2	-178.3	-157.9	-25.2	0	0	0	112.1	A645 L651 G769	A645-D767 PolarHBondContact N-OD2 3.12Å; L651-D767 HydrophobicContact CD1-CB 3.49Å; L651-D767 VanDerWaalsContact CD1-CB 3.49Å; L651-D767 VanDerWaalsContact CD1-CG 3.45Å; L651-D767 HydrophobicContact CG-CB 4.33Å; D767-G769 VanDerWaalsContact C-N 3.29Å; D767-G769 PolarHBondContact OD1-N 2.67Å
768	T	55.9	Low	74.6	Confident	43 Å²	43	38.8 Å²	38.8	26%	0.264	23%	0.225	S	C	.	.			trans	-83.6	-6.5	175.6	60.5	0	0	0	0	112.5	P689 Q770 S773	P689-T768 HydrophobicContact CG-CG2 4.06Å; P689-T768 WeakPolarHBondContact CG-O 3.28Å; T768-Q770 VanDerWaalsContact C-N 3.27Å; T768-Q770 PolarHBondContact O-N 3.02Å; T768-S773 PolarHBondContact OG1-OG 3.11Å
769	G	54.3	Low	74.6	Confident	58 Å²	58	39.4 Å²	39.4	60%	0.598	23%	0.228	S	C	*	.	S	Bend	trans	75.9	9.8	175.7	0	0	0	0	0	114.5	D767	D767-G769 VanDerWaalsContact C-N 3.29Å; D767-G769 PolarHBondContact OD1-N 2.67Å
770	Q	57.9	Low	74.5	Confident	81 Å²	81	40 Å²	40	38%	0.379	23%	0.234	S	C	.	.			trans	-101.6	117.1	176.7	-70.2	-170.8	-12.3	0	0	111.2	T768 H772 S773	T768-Q770 VanDerWaalsContact C-N 3.27Å; T768-Q770 PolarHBondContact O-N 3.02Å; Q770-H772 PolarHBondContact O-N 3.17Å; Q770-S773 PolarHBondContact O-N 3.36Å; Q770-S773 PolarHBondContact O-OG 2.96Å
771	P	54.7	Low	74.6	Confident	102 Å²	102	42.1 Å²	42.1	66%	0.662	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	133.8	171.8	24.4	-29.5	0	0	0	109.1
772	H	59.1	Low	74.8	Confident	166 Å²	166	40 Å²	40	77%	0.769	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	9.3	-178.7	-42.6	-68.1	0	0	0	117.8	Q770	Q770-H772 PolarHBondContact O-N 3.17Å
773	S	63.8	Low	75.1	Confident	10 Å²	10	39.5 Å²	39.5	7%	0.07	23%	0.234	C	C	.	.			trans	-74.7	130.4	168.8	56.8	0	0	0	0	111.3	G644 T768 Q770	G644-S773 PolarHBondContact N-O 3.11Å; T768-S773 PolarHBondContact OG1-OG 3.11Å; Q770-S773 PolarHBondContact O-N 3.36Å; Q770-S773 PolarHBondContact O-OG 2.96Å
774	E	71.5	Confident	75.5	Confident	68 Å²	68	39.7 Å²	39.7	32%	0.318	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.2	174.6	-64.7	-162	144.2	0	0	110.3	L642 R643 G684 W745	L642-E774 WeakPolarHBondContact O-CA 3.2Å; R643-E774 HydrophobicContact CG-CG 4.29Å; R643-E774 IonicContact CZ-OE1 2.64Å; R643-E774 IonicContact NE-OE1 3.51Å; R643-E774 PolarHBondContact NE-OE1 2.64Å; R643-E774 IonicContact NH2-OE1 2.99Å; G684-E774 PolarHBondContact N-O 3.3Å; G684-E774 PolarHBondContact O-N 3.03Å; G684-E774 VanDerWaalsContact O-O 3.12Å; W745-E774 HydrophobicContact CH2-CB 3.96Å; W745-E774 HydrophobicContact CZ2-CB 4.18Å
775	A	74.7	Confident	76	Confident	18 Å²	18	44.3 Å²	44.3	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.1	172.9	0	0	0	0	0	110	L642 R682	L642-A775 WeakPolarHBondContact CB-O 3.22Å; L642-A775 PolarHBondContact N-O 3.19Å; L642-A775 PolarHBondContact O-N 2.87Å; L642-A775 VanDerWaalsContact O-N 3.08Å; R682-A775 CarbonylContact O-C 3.09Å; R682-A775 WeakPolarHBondContact O-CA 3.44Å; R682-A775 WeakPolarHBondContact O-CB 3.48Å
776	D	80.9	Confident	76.4	Confident	21 Å²	21	43.9 Å²	43.9	11%	0.112	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.6	168.3	74.8	29.7	0	0	0	110.2	V640 L681 R682	V640-D776 CarbonylContact O-C 3.59Å; V640-D776 VanDerWaalsContact O-CA 3.25Å; V640-D776 WeakPolarHBondContact O-CA 3.43Å; L681-D776 CarbonylContact C-O 3.45Å; L681-D776 WeakPolarHBondContact CA-O 3.42Å; R682-D776 WeakPolarHBondContact CB-OD1 3.2Å; R682-D776 WeakPolarHBondContact CD-OD1 3.32Å; R682-D776 WeakPolarHBondContact CG-OD1 3.45Å; R682-D776 IonicContact CZ-OD2 3.59Å; R682-D776 PolarHBondContact N-O 2.87Å; R682-D776 IonicContact NH1-OD2 2.92Å; R682-D776 PolarHBondContact NH1-OD2 2.75Å; R682-D776 PolarHBondContact O-N 2.91Å
777	Y	83.6	Confident	76.9	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.5	169.1	69.7	-93.8	0	0	0	112	A639 V640 L642 V654 F656 L679 A680 I763 M765	A639-Y777 WeakPolarHBondContact CA-O 3Å; V640-Y777 HydrophobicContact CB-CD1 4.09Å; V640-Y777 HydrophobicContact CB-CD2 4.45Å; V640-Y777 HydrophobicContact CB-CE1 3.61Å; V640-Y777 HydrophobicContact CB-CE2 4.01Å; V640-Y777 HydrophobicContact CB-CG 4.49Å; V640-Y777 HydrophobicContact CG1-CD1 4.44Å; V640-Y777 HydrophobicContact CG1-CE1 3.63Å; V640-Y777 HydrophobicContact CG2-CE1 4.35Å; V640-Y777 HydrophobicContact CG2-CE2 3.95Å; V640-Y777 PolarHBondContact N-O 2.98Å; V640-Y777 PolarHBondContact O-N 2.79Å; L642-Y777 HydrophobicContact CD1-CD1 4.23Å; L642-Y777 HydrophobicContact CD1-CE1 4.28Å; L642-Y777 HydrophobicContact CD2-CE1 4.49Å; L642-Y777 HydrophobicContact CG-CE1 4.47Å; V654-Y777 WeakPolarHBondContact CG2-OH 3.37Å; F656-Y777 HydrophobicContact CZ-CE2 4.16Å; L679-Y777 HydrophobicContact CD1-CD2 4.09Å; A680-Y777 CarbonylContact O-C 3.5Å; A680-Y777 WeakPolarHBondContact O-CA 3.37Å; I763-Y777 HydrophobicContact CB-CE2 4.21Å; I763-Y777 HydrophobicContact CD1-CD2 4.19Å; I763-Y777 HydrophobicContact CD1-CE2 3.98Å; I763-Y777 HydrophobicContact CG2-CE2 4.06Å; M765-Y777 HydrophobicContact CE-CD1 4.46Å; M765-Y777 HydrophobicContact CG-CD1 4.41Å; M765-Y777 HydrophobicContact CG-CE1 4.1Å
778	T	87.8	Confident	77.2	Confident	51 Å²	51	47.1 Å²	47.1	31%	0.313	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.1	178.7	62.8	0	0	0	0	110.3	D638 A639 L679 A680	D638-T778 WeakPolarHBondContact O-CB 3Å; D638-T778 VanDerWaalsContact O-CG2 3.27Å; D638-T778 WeakPolarHBondContact O-CG2 3.4Å; A639-T778 HydrophobicContact CB-CG2 3.74Å; L679-T778 WeakPolarHBondContact CA-O 3.46Å; L679-T778 WeakPolarHBondContact CD1-O 3.02Å; A680-T778 PolarHBondContact N-O 3.29Å; A680-T778 PolarHBondContact O-N 2.73Å
779	L	90.1	Very high	77.4	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.4	174.3	-176.2	66.1	0	0	0	109	H634 F656 Q677 L679 V760 I763	H634-L779 PolarHBondContact NE2-O 2.9Å; H634-L779 VanDerWaalsContact NE2-O 3.08Å; F656-L779 HydrophobicContact CB-CD2 4.26Å; F656-L779 HydrophobicContact CD1-CD2 3.74Å; F656-L779 HydrophobicContact CD2-CD2 3.65Å; F656-L779 HydrophobicContact CE1-CB 4.01Å; F656-L779 HydrophobicContact CE1-CD2 3.93Å; F656-L779 HydrophobicContact CE2-CD2 3.85Å; F656-L779 HydrophobicContact CG-CD2 3.59Å; F656-L779 HydrophobicContact CZ-CB 4.02Å; F656-L779 HydrophobicContact CZ-CD2 3.97Å; Q677-L779 HydrophobicContact CG-CD1 3.93Å; L679-L779 HydrophobicContact CD1-CB 4.48Å; L679-L779 HydrophobicContact CD1-CD1 4.39Å; V760-L779 HydrophobicContact CB-CD1 4.29Å; V760-L779 HydrophobicContact CB-CD2 4.13Å; V760-L779 HydrophobicContact CG1-CD2 4.24Å; V760-L779 HydrophobicContact CG2-CD1 4.36Å; I763-L779 HydrophobicContact CD1-CD1 4.48Å
780	G	90.7	Very high	77.2	Confident	16 Å²	16	48.1 Å²	48.1	17%	0.165	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	169.7	175.8	0	0	0	0	0	112.9	Q677 R678	Q677-G780 PolarHBondContact NE2-O 3.35Å; R678-G780 PolarHBondContact O-N 2.81Å
781	P	93.3	Very high	76.8	Confident	45 Å²	45	53.8 Å²	53.8	29%	0.292	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	157.2	172.5	29.8	-35.5	0	0	0	111.2	V631 V632 R633 L783	V631-P781 HydrophobicContact CG1-CB 3.78Å; V631-P781 HydrophobicContact CG1-CG 3.92Å; V632-P781 CarbonylContact O-C 3.59Å; V632-P781 WeakPolarHBondContact O-CA 3.48Å; V632-P781 VanDerWaalsContact O-CB 3.3Å; V632-P781 WeakPolarHBondContact O-CB 3.49Å; R633-P781 HydrophobicContact CG-CB 4.24Å; P781-L783 HydrophobicContact CG-CD2 4.09Å; P781-L783 HydrophobicContact CG-CG 4.46Å; P781-L783 PolarHBondContact O-N 2.89Å
782	L	94.1	Very high	76.5	Confident	2 Å²	2	55 Å²	55	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.3	165.7	176.1	71.3	0	0	0	108.4	V632 V669 C675 L758 P759	V632-L782 HydrophobicContact CB-CB 4.28Å; V632-L782 PolarHBondContact N-O 3.44Å; V632-L782 PolarHBondContact O-N 2.78Å; V669-L782 HydrophobicContact CG2-CD2 3.74Å; C675-L782 HydrophobicContact CB-CD1 4.33Å; L758-L782 HydrophobicContact CB-CD1 4.05Å; L758-L782 HydrophobicContact CD1-CD1 4.23Å; P759-L782 HydrophobicContact CB-CB 4.45Å; P759-L782 HydrophobicContact CB-CD1 4.28Å; P759-L782 HydrophobicContact CB-CD2 4.12Å; P759-L782 HydrophobicContact CG-CD2 4.36Å
783	L	94.3	Very high	76.1	Confident	46 Å²	46	51.6 Å²	51.6	24%	0.241	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.6	179.6	-61.3	176.6	0	0	0	108.8	W629 V631 C675 E676 P781	W629-L783 HydrophobicContact CE3-CB 3.83Å; W629-L783 HydrophobicContact CZ3-CB 3.81Å; V631-L783 HydrophobicContact CB-CD2 4.09Å; V631-L783 HydrophobicContact CG1-CD2 3.79Å; V631-L783 HydrophobicContact CG2-CD2 3.63Å; C675-L783 CarbonylContact C-O 3.55Å; C675-L783 VanDerWaalsContact CA-O 3.24Å; C675-L783 WeakPolarHBondContact CA-O 3.09Å; E676-L783 HydrophobicContact CG-CB 4.03Å; E676-L783 PolarHBondContact N-O 2.81Å; E676-L783 PolarHBondContact O-N 2.81Å; P781-L783 HydrophobicContact CG-CD2 4.09Å; P781-L783 HydrophobicContact CG-CG 4.46Å; P781-L783 PolarHBondContact O-N 2.89Å
784	C	93.9	Very high	75.7	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.034	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.5	176.4	-71.5	0	0	0	0	110.2	W629 T630 A672 R674 C675	W629-C784 CarbonylContact C-O 3.6Å; W629-C784 WeakPolarHBondContact CA-O 3.24Å; T630-C784 PolarHBondContact N-O 3Å; T630-C784 PolarHBondContact O-N 3.42Å; A672-C784 HydrophobicContact CB-CB 3.69Å; R674-C784 CarbonylContact O-C 3.59Å; R674-C784 WeakPolarHBondContact O-CA 3.16Å; C675-C784 HydrophobicContact CB-CB 4.19Å; C675-C784 WeakPolarHBondContact CB-SG 3.36Å; C675-C784 WeakPolarHBondContact SG-CB 3.39Å; C675-C784 CovalentContact SG-SG 2.05Å; C675-C784 PolarHBondContact SG-SG 2.93Å
785	R	90.4	Very high	74.8	Confident	105 Å²	105	56 Å²	56	40%	0.396	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.2	-176	-178.2	-179.5	171.5	178.3	1.1	111.5	S627 W629 E673 R674	S627-R785 PolarHBondContact OG-NE 3.33Å; S627-R785 PolarHBondContact OG-NH2 3.12Å; W629-R785 HydrophobicContact CD2-CB 3.9Å; W629-R785 HydrophobicContact CD2-CG 4.26Å; W629-R785 HydrophobicContact CE3-CB 3.73Å; W629-R785 HydrophobicContact CH2-CB 4.07Å; W629-R785 HydrophobicContact CZ2-CB 4.21Å; W629-R785 HydrophobicContact CZ2-CG 4.32Å; W629-R785 HydrophobicContact CZ3-CB 3.82Å; E673-R785 PolarHBondContact N-O 2.67Å; R674-R785 PolarHBondContact N-O 3.2Å; R674-R785 PolarHBondContact O-N 2.79Å
786	G	83.4	Confident	74.1	Confident	10 Å²	10	58.9 Å²	58.9	10%	0.103	32%	0.317	C	S	.	.			trans	73	178.3	171	0	0	0	0	0	113.5	A628 A672	A628-G786 PolarHBondContact O-N 2.92Å; A672-G786 WeakPolarHBondContact CA-O 3.46Å
787	D	79.5	Confident	72.6	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	34%	0.338	C	S	.	.			trans	-146.9	121.3	-179.4	-173.3	-21.1	0	0	0	109.8	S591 E593 L671 S789 F790	S591-D787 VanDerWaalsContact CB-OD2 3.26Å; S591-D787 WeakPolarHBondContact CB-OD2 3.49Å; S591-D787 PolarHBondContact OG-OD2 2.93Å; E593-D787 HydrophobicContact CB-CB 3.68Å; E593-D787 HydrophobicContact CG-CB 4.14Å; L671-D787 VanDerWaalsContact CD1-OD1 3.29Å; L671-D787 WeakPolarHBondContact CD1-OD1 2.94Å; D787-S789 PolarHBondContact O-N 3.16Å; D787-S789 VanDerWaalsContact O-N 3.12Å; D787-S789 VanDerWaalsContact OD1-CB 3.3Å; D787-S789 WeakPolarHBondContact OD1-CB 3.18Å; D787-S789 PolarHBondContact OD1-N 2.57Å; D787-S789 PolarHBondContact OD1-OG 2.58Å; D787-S789 PolarHBondContact OD2-OG 2.95Å; D787-F790 HydrophobicContact CB-CD2 4.19Å
788	K	67.3	Low	70.8	Confident	124 Å²	124	63.3 Å²	63.3	54%	0.539	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.6	-177.8	-66.3	-177.5	179.8	-171.7	0	113.9	L671 A672 E673	L671-K788 PolarHBondContact O-N 3.23Å; A672-K788 WeakPolarHBondContact O-CE 3.28Å; E673-K788 HydrophobicContact CG-CG 4.03Å
789	S	59.5	Low	68.9	Low	48 Å²	48	65.1 Å²	65.1	34%	0.336	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-21.1	-173	61.3	0	0	0	0	115.3	D787	D787-S789 PolarHBondContact O-N 3.16Å; D787-S789 VanDerWaalsContact O-N 3.12Å; D787-S789 VanDerWaalsContact OD1-CB 3.3Å; D787-S789 WeakPolarHBondContact OD1-CB 3.18Å; D787-S789 PolarHBondContact OD1-N 2.57Å; D787-S789 PolarHBondContact OD1-OG 2.58Å; D787-S789 PolarHBondContact OD2-OG 2.95Å
790	F	50.9	Low	66.8	Low	74 Å²	74	64.9 Å²	64.9	33%	0.325	35%	0.346	S	S	.	.	S	Bend	trans	-90.2	-21.4	-172.9	-77.9	-89.9	0	0	0	115.4	A594 H597 D787	A594-F790 HydrophobicContact CB-CE2 3.69Å; A594-F790 HydrophobicContact CB-CZ 3.66Å; H597-F790 HydrophobicContact CB-CE1 4.49Å; H597-F790 AromaticContact CD2-CD1 3.94Å; D787-F790 HydrophobicContact CB-CD2 4.19Å
791	W	49.2	Very low	64.8	Low	201 Å²	201	65.4 Å²	65.4	76%	0.761	35%	0.347	S	S	*	.	S	Bend	trans	-129	48.8	-168.9	-62.9	104.8	0	0	0	113.9	H597	H597-W791 AromaticContact NE2-NE1 3.83Å
792	N	47.8	Very low	63.4	Low	128 Å²	128	66.6 Å²	66.6	68%	0.684	35%	0.346	S	S	*	.			trans	-115	42.2	178.2	67	-11.3	0	0	0	113.1	A794	N792-A794 PolarHBondContact O-N 3.34Å
793	S	51.8	Low	61.7	Low	93 Å²	93	70 Å²	70	65%	0.65	36%	0.364	S	S	*	.			trans	-65.3	129.7	-175.8	65	0	0	0	0	113.1
794	A	54.6	Low	60.5	Low	57 Å²	57	72.3 Å²	72.3	47%	0.471	37%	0.373	S	S	.	.			trans	-108.5	143.8	169.1	0	0	0	0	0	110.4	N792 F796	N792-A794 PolarHBondContact O-N 3.34Å; A794-F796 HydrophobicContact CB-CE2 4.32Å; A794-F796 HydrophobicContact CB-CZ 4.32Å
795	S	53.1	Low	59.4	Low	114 Å²	114	76.5 Å²	76.5	80%	0.797	39%	0.391	S	S	*	.			trans	-109.2	114.8	176.4	-67.7	0	0	0	0	110.7	N797	S795-N797 PolarHBondContact O-N 3.27Å
796	F	60.6	Low	58.7	Low	78 Å²	78	76.4 Å²	76.4	34%	0.342	40%	0.404	S	S	.	.			trans	-88.5	89.8	172.4	-56.5	-76.3	0	0	0	108.6	A794 T798 S801 L803 I917	A794-F796 HydrophobicContact CB-CE2 4.32Å; A794-F796 HydrophobicContact CB-CZ 4.32Å; F796-T798 PolarHBondContact O-N 3.14Å; F796-S801 WeakPolarHBondContact CD1-O 3.32Å; F796-S801 WeakPolarHBondContact CE1-O 3.5Å; F796-L803 HydrophobicContact CE1-CD1 4.37Å; F796-L803 HydrophobicContact CE1-CG 4.01Å; F796-L803 HydrophobicContact CZ-CD1 3.96Å; F796-L803 HydrophobicContact CZ-CG 4.08Å; F796-I917 HydrophobicContact CE1-CG2 4.2Å; F796-I917 HydrophobicContact CE2-CG2 4.03Å; F796-I917 HydrophobicContact CZ-CG2 3.53Å
797	N	49.8	Very low	58.5	Low	103 Å²	103	77 Å²	77	55%	0.551	41%	0.409	S	S	*	.			trans	-75.4	-4.4	-175.1	60.7	-4.2	0	0	0	114.3	S795 S801	S795-N797 PolarHBondContact O-N 3.27Å; N797-S801 PolarHBondContact OD1-OG 3.25Å; N797-S801 VanDerWaalsContact OD1-OG 3.14Å
798	T	45.5	Very low	58.4	Low	13 Å²	13	79 Å²	79	8%	0.08	42%	0.417	C	S	.	.	S	Bend	trans	-143.5	152.5	174.8	69.7	0	0	0	0	108.6	F796 T800 S801 A1120 A1123	F796-T798 PolarHBondContact O-N 3.14Å; T798-T800 PolarHBondContact O-N 2.92Å; T798-T800 WeakPolarHBondContact OG1-CB 3.37Å; T798-T800 WeakPolarHBondContact OG1-CG2 3.18Å; T798-T800 PolarHBondContact OG1-N 3.18Å; T798-T800 PolarHBondContact OG1-OG1 2.87Å; T798-S801 PolarHBondContact O-N 2.78Å; T798-S801 PolarHBondContact OG1-N 2.82Å; T798-S801 PolarHBondContact OG1-OG 3.19Å; T798-A1120 HydrophobicContact CG2-CB 4.48Å; T798-A1123 HydrophobicContact CG2-CB 4.46Å
799	E	47.3	Very low	58.9	Low	88 Å²	88	80.9 Å²	80.9	41%	0.411	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	6.5	170.9	-61.9	177.1	-178.1	0	0	113.2	L1022	E799-L1022 VanDerWaalsContact OE1-CD2 3.23Å; E799-L1022 WeakPolarHBondContact OE1-CD2 3.48Å; E799-L1022 WeakPolarHBondContact OE2-CD2 3.48Å
800	T	46.2	Very low	59.6	Low	9 Å²	9	78.9 Å²	78.9	6%	0.055	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-14	-169.2	103.6	0	0	0	0	115.1	T798 E918 I919 S920	T798-T800 PolarHBondContact O-N 2.92Å; T798-T800 WeakPolarHBondContact OG1-CB 3.37Å; T798-T800 WeakPolarHBondContact OG1-CG2 3.18Å; T798-T800 PolarHBondContact OG1-N 3.18Å; T798-T800 PolarHBondContact OG1-OG1 2.87Å; T800-E918 CarbonylContact C-O 3.5Å; T800-I919 VanDerWaalsContact CA-C 3.48Å; T800-I919 CarbonylContact O-C 3.41Å; T800-S920 VanDerWaalsContact CA-CB 3.48Å; T800-S920 VanDerWaalsContact CB-C 3.44Å; T800-S920 WeakPolarHBondContact CB-O 3.24Å; T800-S920 WeakPolarHBondContact CB-OG 3.33Å; T800-S920 WeakPolarHBondContact CG2-OG 3.46Å; T800-S920 PolarHBondContact O-N 2.87Å; T800-S920 VanDerWaalsContact O-N 3.09Å
801	S	48.6	Very low	61.1	Low	28 Å²	28	80 Å²	80	20%	0.196	42%	0.421	C	S	.	.			trans	-85.2	113.8	-169.5	-63.6	0	0	0	0	108.9	F796 N797 T798 E918	F796-S801 WeakPolarHBondContact CD1-O 3.32Å; F796-S801 WeakPolarHBondContact CE1-O 3.5Å; N797-S801 PolarHBondContact OD1-OG 3.25Å; N797-S801 VanDerWaalsContact OD1-OG 3.14Å; T798-S801 PolarHBondContact O-N 2.78Å; T798-S801 PolarHBondContact OG1-N 2.82Å; T798-S801 PolarHBondContact OG1-OG 3.19Å; S801-E918 CarbonylContact C-O 3.58Å; S801-E918 PolarHBondContact N-O 2.94Å
802	Y	63.2	Low	62.8	Low	69 Å²	69	73 Å²	73	27%	0.271	40%	0.398	S	S	.	.			trans	-115.3	154.5	179	61.5	-74.5	0	0	0	115.6	H804 F916 I917 E918 I919	Y802-H804 HydrophobicContact CD2-CB 4.17Å; Y802-H804 HydrophobicContact CE2-CB 4.29Å; Y802-H804 AromaticContact CE2-ND1 3.92Å; Y802-F916 HydrophobicContact CD2-CD1 4.07Å; Y802-F916 HydrophobicContact CD2-CE1 4.45Å; Y802-F916 HydrophobicContact CE2-CD1 4.38Å; Y802-F916 HydrophobicContact CE2-CE1 4.31Å; Y802-I917 CarbonylContact C-O 3.56Å; Y802-I917 WeakPolarHBondContact CA-O 3.23Å; Y802-I917 WeakPolarHBondContact CB-O 3.29Å; Y802-E918 WeakPolarHBondContact CA-O 3.1Å; Y802-E918 VanDerWaalsContact CB-C 3.49Å; Y802-E918 WeakPolarHBondContact CB-O 3.49Å; Y802-E918 PolarHBondContact N-O 2.78Å; Y802-I919 HydrophobicContact CD1-CB 3.98Å; Y802-I919 HydrophobicContact CD1-CG1 3.56Å; Y802-I919 HydrophobicContact CD1-CG2 3.9Å; Y802-I919 HydrophobicContact CD2-CG1 4.18Å; Y802-I919 HydrophobicContact CE1-CB 4.49Å; Y802-I919 HydrophobicContact CE1-CG1 4.15Å; Y802-I919 HydrophobicContact CE1-CG2 3.93Å; Y802-I919 HydrophobicContact CG-CB 4.45Å; Y802-I919 HydrophobicContact CG-CD1 4.44Å; Y802-I919 HydrophobicContact CG-CG1 3.58Å
803	L	58.2	Low	64.7	Low	73 Å²	73	68.2 Å²	68.2	38%	0.382	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	146.4	154.2	-58.7	175.3	0	0	0	109.6	F796 F805 I917	F796-L803 HydrophobicContact CE1-CD1 4.37Å; F796-L803 HydrophobicContact CE1-CG 4.01Å; F796-L803 HydrophobicContact CZ-CD1 3.96Å; F796-L803 HydrophobicContact CZ-CG 4.08Å; L803-F805 HydrophobicContact CB-CD2 4.49Å; L803-F805 HydrophobicContact CB-CE2 3.64Å; L803-F805 HydrophobicContact CB-CZ 4.2Å; L803-F805 HydrophobicContact CD1-CE2 4.38Å; L803-F805 HydrophobicContact CD1-CZ 4.33Å; L803-I917 HydrophobicContact CB-CB 4.31Å; L803-I917 PolarHBondContact N-O 3.1Å; L803-I917 PolarHBondContact O-N 2.87Å
804	H	69.7	Low	66.3	Low	95 Å²	95	63.9 Å²	63.9	44%	0.44	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.2	170.2	70.5	-77.6	0	0	0	110	Y802 L915 F916	Y802-H804 HydrophobicContact CD2-CB 4.17Å; Y802-H804 HydrophobicContact CE2-CB 4.29Å; Y802-H804 AromaticContact CE2-ND1 3.92Å; H804-L915 CarbonylContact C-O 3.53Å; H804-L915 WeakPolarHBondContact CA-O 3.49Å; H804-F916 HydrophobicContact CB-CD1 3.95Å; H804-F916 HydrophobicContact CB-CE1 3.99Å
805	F	70.9	Confident	67.8	Low	93 Å²	93	64.2 Å²	64.2	41%	0.408	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	166	-179.9	-63.2	-89.7	0	0	0	109.4	L803 Q914 L915 I917	L803-F805 HydrophobicContact CB-CD2 4.49Å; L803-F805 HydrophobicContact CB-CE2 3.64Å; L803-F805 HydrophobicContact CB-CZ 4.2Å; L803-F805 HydrophobicContact CD1-CE2 4.38Å; L803-F805 HydrophobicContact CD1-CZ 4.33Å; F805-Q914 WeakPolarHBondContact O-CA 3.31Å; F805-Q914 VanDerWaalsContact O-CB 3.25Å; F805-Q914 WeakPolarHBondContact O-CB 3.33Å; F805-L915 HydrophobicContact CB-CB 4.16Å; F805-L915 HydrophobicContact CB-CD2 4.35Å; F805-L915 PolarHBondContact N-O 3.44Å; F805-L915 PolarHBondContact O-N 2.68Å; F805-L915 VanDerWaalsContact O-N 3.08Å; F805-I917 HydrophobicContact CD2-CD1 4.39Å; F805-I917 HydrophobicContact CE2-CD1 3.92Å
806	P	76.6	Confident	69.3	Low	103 Å²	103	59.7 Å²	59.7	67%	0.669	31%	0.305	S	S	*	.	S	Bend	trans	-50	161.1	164.5	-25.7	35.9	0	0	0	111.8	F808	P806-F808 PolarHBondContact O-N 2.84Å
807	A	77.9	Confident	70.3	Confident	24 Å²	24	60.5 Å²	60.5	20%	0.198	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-54.2	135.8	179.1	0	0	0	0	0	110.7	H809 S913	A807-H809 PolarHBondContact O-CD2 3.07Å; A807-H809 PolarHBondContact O-N 2.83Å; A807-H809 PolarHBondContact O-NE2 3.26Å; A807-S913 WeakPolarHBondContact CA-O 3.41Å; A807-S913 VanDerWaalsContact CB-O 3.24Å; A807-S913 WeakPolarHBondContact CB-O 3.41Å
808	F	77.3	Confident	71.7	Confident	45 Å²	45	57.8 Å²	57.8	20%	0.197	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-67	123	175.8	178.8	-103.5	0	0	0	109.8	P806 A814 M830 N832 I839 L911 L915	P806-F808 PolarHBondContact O-N 2.84Å; F808-A814 HydrophobicContact CE1-CB 3.55Å; F808-A814 HydrophobicContact CZ-CB 3.78Å; F808-M830 HydrophobicContact CD2-CE 4.12Å; F808-M830 HydrophobicContact CE2-CE 4.48Å; F808-M830 HydrophobicContact CG-CE 4.21Å; F808-N832 VanDerWaalsContact CB-OD1 3.29Å; F808-N832 WeakPolarHBondContact CB-OD1 3.39Å; F808-N832 PolarHBondContact N-OD1 2.61Å; F808-I839 HydrophobicContact CE1-CD1 4.46Å; F808-L911 HydrophobicContact CB-CD1 4.08Å; F808-L911 HydrophobicContact CD1-CD1 3.87Å; F808-L911 HydrophobicContact CG-CD1 4.5Å; F808-L915 HydrophobicContact CB-CD2 4.49Å
809	H	77.8	Confident	73.1	Confident	162 Å²	162	62.5 Å²	62.5	75%	0.75	32%	0.322	S	S	*	.			trans	-102.7	93.6	-179.9	-67	-69.5	0	0	0	109.6	A807	A807-H809 PolarHBondContact O-CD2 3.07Å; A807-H809 PolarHBondContact O-N 2.83Å; A807-H809 PolarHBondContact O-NE2 3.26Å
810	G	74.9	Confident	74.7	Confident	7 Å²	7	58.9 Å²	58.9	7%	0.072	31%	0.305	C	S	.	.			trans	-146	61.3	178.2	0	0	0	0	0	111.1	T813	G810-T813 CarbonylContact C-O 3.58Å; G810-T813 VanDerWaalsContact C-O 3.3Å; G810-T813 WeakPolarHBondContact CA-O 3.35Å
811	E	83.1	Confident	76.2	Confident	96 Å²	96	63.3 Å²	63.3	45%	0.449	32%	0.324	S	S	.	.	S	Bend	trans	-60.9	-49.4	-170.6	-71	-173.8	-163.1	0	0	112.6	R882 R908 L909	E811-R882 PolarHBondContact O-NH1 2.8Å; E811-R908 CarbonylContact O-C 3.58Å; E811-R908 VanDerWaalsContact O-CA 3.28Å; E811-R908 WeakPolarHBondContact O-CA 3.38Å; E811-R908 IonicContact OE2-NH1 3.11Å; E811-L909 PolarHBondContact O-N 3.36Å
812	L	85.1	Confident	77.5	Confident	56 Å²	56	63.3 Å²	63.3	29%	0.293	32%	0.322	S	S	.	.	S	Bend	trans	-101.8	-41.5	-177.4	-64.3	177.3	0	0	0	112.1	Y555 R882 N883 V884 V907 R908	Y555-L812 HydrophobicContact CD1-CD1 4.32Å; Y555-L812 HydrophobicContact CE1-CD1 4.19Å; Y555-L812 HydrophobicContact CE1-CD2 4.23Å; L812-R882 PolarHBondContact O-NH1 2.97Å; L812-R882 VanDerWaalsContact O-NH1 3.13Å; L812-N883 CarbonylContact O-C 3.58Å; L812-N883 WeakPolarHBondContact O-CA 3.26Å; L812-V884 HydrophobicContact CB-CG1 4.03Å; L812-V884 HydrophobicContact CD2-CG1 3.92Å; L812-V884 PolarHBondContact O-N 2.94Å; L812-V907 HydrophobicContact CD2-CB 4.47Å; L812-V907 HydrophobicContact CD2-CG2 4Å; L812-R908 HydrophobicContact CD2-CG 3.9Å
813	T	87.3	Confident	78.1	Confident	26 Å²	26	64.5 Å²	64.5	16%	0.16	34%	0.337	C	S	.	.			trans	-127.4	144.5	178.5	43.8	0	0	0	0	110.3	E557 H584 G810 R882 N883	E557-T813 WeakPolarHBondContact OE1-CG2 3.44Å; E557-T813 PolarHBondContact OE1-OG1 2.82Å; E557-T813 VanDerWaalsContact OE1-OG1 3.14Å; H584-T813 HydrophobicContact CB-CG2 4.49Å; H584-T813 PolarHBondContact CE1-OG1 2.82Å; G810-T813 CarbonylContact C-O 3.58Å; G810-T813 VanDerWaalsContact C-O 3.3Å; G810-T813 WeakPolarHBondContact CA-O 3.35Å; T813-R882 CarbonylContact C-O 3.56Å; T813-R882 VanDerWaalsContact CA-O 3.23Å; T813-R882 WeakPolarHBondContact CA-O 3.21Å; T813-N883 HydrophobicContact CG2-CB 3.69Å
814	A	85.1	Confident	78.9	Confident	2 Å²	2	63.7 Å²	63.7	2%	0.017	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	115.9	-174.3	0	0	0	0	0	110.4	F808 E881 R882	F808-A814 HydrophobicContact CE1-CB 3.55Å; F808-A814 HydrophobicContact CZ-CB 3.78Å; A814-E881 CarbonylContact O-C 3.59Å; A814-E881 WeakPolarHBondContact O-CA 3.14Å; A814-R882 HydrophobicContact CB-CB 4.37Å; A814-R882 PolarHBondContact N-O 2.99Å; A814-R882 PolarHBondContact O-N 2.93Å
815	D	85.5	Confident	79.2	Confident	65 Å²	65	62.2 Å²	62.2	35%	0.348	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.5	176.4	-68.8	-19.3	0	0	0	110.9	H584 S612 E881	H584-D815 IonicContact CD2-OD1 2.68Å; H584-D815 PolarHBondContact CD2-OD1 3.23Å; H584-D815 IonicContact CD2-OD2 3.99Å; H584-D815 PolarHBondContact CD2-OD2 3.31Å; H584-D815 VanDerWaalsContact CD2-OD2 3.29Å; H584-D815 IonicContact NE2-OD1 3.75Å; H584-D815 PolarHBondContact NE2-OD1 3.47Å; H584-D815 IonicContact NE2-OD2 2.74Å; H584-D815 PolarHBondContact NE2-OD2 2.98Å; S612-D815 PolarHBondContact OG-OD2 3.44Å; D815-E881 WeakPolarHBondContact OD1-CG 3.41Å
816	V	85.3	Confident	79.6	Confident	18 Å²	18	60.2 Å²	60.2	11%	0.109	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	114	175.2	-173.8	0	0	0	0	108.9	F818 M830 I841 A880	V816-F818 HydrophobicContact CG1-CD1 4.05Å; V816-F818 HydrophobicContact CG1-CE1 4.28Å; V816-M830 HydrophobicContact CB-SD 4.36Å; V816-M830 HydrophobicContact CG1-SD 3.63Å; V816-M830 HydrophobicContact CG2-CE 3.98Å; V816-M830 HydrophobicContact CG2-SD 3.78Å; V816-I841 HydrophobicContact CB-CD1 3.85Å; V816-I841 HydrophobicContact CG1-CD1 3.62Å; V816-I841 HydrophobicContact CG2-CD1 4.38Å; V816-A880 HydrophobicContact CB-CB 4.44Å; V816-A880 PolarHBondContact N-O 2.92Å; V816-A880 PolarHBondContact O-N 2.81Å
817	C	81.4	Confident	79.3	Confident	96 Å²	96	56.2 Å²	56.2	65%	0.649	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.1	171.3	75.4	0	0	0	0	110.8	V878 R879	C817-V878 VanDerWaalsContact CA-O 3.3Å; C817-V878 WeakPolarHBondContact CA-O 3.41Å; C817-R879 HydrophobicContact CB-CG 4.46Å
818	F	79.5	Confident	79.4	Confident	46 Å²	46	57.5 Å²	57.5	20%	0.202	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	161.3	173.1	62.4	-84.6	0	0	0	111.1	V816 F820 F829 I841 V878	V816-F818 HydrophobicContact CG1-CD1 4.05Å; V816-F818 HydrophobicContact CG1-CE1 4.28Å; F818-F820 HydrophobicContact CD2-CB 4.25Å; F818-F820 HydrophobicContact CE2-CB 4.09Å; F818-F820 AromaticContact CE2-CD1 4Å; F818-F820 HydrophobicContact CE2-CD1 4Å; F818-F820 HydrophobicContact CE2-CG 4.41Å; F818-F829 HydrophobicContact CE1-CB 4.32Å; F818-F829 HydrophobicContact CE2-CB 3.87Å; F818-F829 AromaticContact CE2-CD1 3.87Å; F818-F829 HydrophobicContact CE2-CD1 3.87Å; F818-F829 AromaticContact CE2-CD2 3.97Å; F818-F829 HydrophobicContact CE2-CD2 3.97Å; F818-F829 HydrophobicContact CE2-CE1 4.37Å; F818-F829 HydrophobicContact CE2-CE2 4.43Å; F818-F829 AromaticContact CE2-CG 3.63Å; F818-F829 HydrophobicContact CE2-CG 3.63Å; F818-F829 HydrophobicContact CZ-CB 3.54Å; F818-F829 HydrophobicContact CZ-CD1 4.28Å; F818-F829 AromaticContact CZ-CD2 3.63Å; F818-F829 HydrophobicContact CZ-CD2 3.63Å; F818-F829 HydrophobicContact CZ-CE2 4.34Å; F818-F829 AromaticContact CZ-CG 3.56Å; F818-F829 HydrophobicContact CZ-CG 3.56Å; F818-I841 HydrophobicContact CE1-CD1 4.09Å; F818-I841 HydrophobicContact CE1-CG2 4.25Å; F818-I841 HydrophobicContact CZ-CG2 4.13Å; F818-V878 HydrophobicContact CD1-CB 4.3Å; F818-V878 HydrophobicContact CE1-CB 3.88Å; F818-V878 HydrophobicContact CE1-CG1 3.89Å; F818-V878 HydrophobicContact CE1-CG2 4.49Å; F818-V878 HydrophobicContact CE2-CB 4.17Å; F818-V878 HydrophobicContact CE2-CG2 4.03Å; F818-V878 HydrophobicContact CZ-CB 3.8Å; F818-V878 HydrophobicContact CZ-CG1 4Å; F818-V878 HydrophobicContact CZ-CG2 3.91Å; F818-V878 PolarHBondContact N-O 2.96Å; F818-V878 VanDerWaalsContact N-O 3.07Å; F818-V878 PolarHBondContact O-N 3.29Å
819	F	75.4	Confident	79.6	Confident	112 Å²	112	56.9 Å²	56.9	49%	0.491	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.5	167.7	-64.1	-93.4	0	0	0	109.7	W875 H876 H877	F819-W875 HydrophobicContact CB-CE3 3.82Å; F819-W875 HydrophobicContact CB-CZ3 4.09Å; F819-H876 CarbonylContact C-O 3.57Å; F819-H876 WeakPolarHBondContact CA-O 3.49Å; F819-H877 HydrophobicContact CD1-CB 3.76Å; F819-H877 HydrophobicContact CE1-CB 3.54Å; F819-H877 AromaticContact CE1-CG 3.57Å; F819-H877 AromaticContact CE1-ND1 3.82Å; F819-H877 HydrophobicContact CZ-CB 4.3Å; F819-H877 AromaticContact CZ-CE1 3.89Å; F819-H877 AromaticContact CZ-CG 3.82Å; F819-H877 AromaticContact CZ-ND1 3.77Å
820	F	79.6	Confident	79.9	Confident	12 Å²	12	49.8 Å²	49.8	5%	0.053	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.5	171.4	76.6	-85.5	0	0	0	111.3	F818 T822 F829 V849 F870 W875 H876 V878	F818-F820 HydrophobicContact CD2-CB 4.25Å; F818-F820 HydrophobicContact CE2-CB 4.09Å; F818-F820 AromaticContact CE2-CD1 4Å; F818-F820 HydrophobicContact CE2-CD1 4Å; F818-F820 HydrophobicContact CE2-CG 4.41Å; F820-T822 HydrophobicContact CD2-CG2 3.93Å; F820-T822 HydrophobicContact CE2-CG2 3.92Å; F820-F829 HydrophobicContact CB-CD1 4.42Å; F820-F829 HydrophobicContact CB-CE1 3.84Å; F820-F829 HydrophobicContact CB-CZ 4.33Å; F820-F829 HydrophobicContact CD1-CE1 4.31Å; F820-F829 AromaticContact CD1-CZ 3.96Å; F820-F829 HydrophobicContact CD1-CZ 3.96Å; F820-F829 AromaticContact CD2-CE1 3.81Å; F820-F829 HydrophobicContact CD2-CE1 3.81Å; F820-F829 AromaticContact CD2-CZ 3.66Å; F820-F829 HydrophobicContact CD2-CZ 3.66Å; F820-F829 HydrophobicContact CE1-CZ 4.12Å; F820-F829 HydrophobicContact CE2-CE1 4.44Å; F820-F829 AromaticContact CE2-CZ 3.85Å; F820-F829 HydrophobicContact CE2-CZ 3.85Å; F820-F829 AromaticContact CG-CE1 3.73Å; F820-F829 HydrophobicContact CG-CE1 3.73Å; F820-F829 AromaticContact CG-CZ 3.72Å; F820-F829 HydrophobicContact CG-CZ 3.72Å; F820-F829 HydrophobicContact CZ-CZ 4.06Å; F820-V849 HydrophobicContact CZ-CG2 4.33Å; F820-F870 HydrophobicContact CE2-CB 4.13Å; F820-F870 HydrophobicContact CZ-CB 3.85Å; F820-F870 HydrophobicContact CZ-CG 4.34Å; F820-W875 WeakPolarHBondContact O-CA 3.34Å; F820-H876 HydrophobicContact CD1-CB 3.98Å; F820-H876 HydrophobicContact CE1-CB 3.51Å; F820-H876 HydrophobicContact CE2-CB 4.28Å; F820-H876 HydrophobicContact CZ-CB 3.7Å; F820-H876 PolarHBondContact N-O 3.46Å; F820-H876 PolarHBondContact O-N 3.24Å; F820-V878 HydrophobicContact CD1-CG2 3.61Å; F820-V878 HydrophobicContact CE1-CG2 3.43Å; F820-V878 VanDerWaalsContact CE1-CG2 3.43Å
821	K	78.2	Confident	80.4	Confident	102 Å²	102	51.1 Å²	51.1	44%	0.443	28%	0.284	S	S	.	.			trans	-141.5	124.3	172.4	-179.3	178.4	87.6	166.7	0	107.9	N873 Q874 W875	K821-N873 WeakPolarHBondContact CD-O 3.3Å; K821-N873 WeakPolarHBondContact CE-OD1 3.46Å; K821-Q874 WeakPolarHBondContact CA-O 3.23Å; K821-Q874 WeakPolarHBondContact CG-O 3.28Å; K821-W875 HydrophobicContact CB-CD2 3.83Å; K821-W875 HydrophobicContact CB-CE3 3.72Å; K821-W875 HydrophobicContact CB-CG 4.4Å; K821-W875 HydrophobicContact CB-CH2 4.38Å; K821-W875 HydrophobicContact CB-CZ2 4.47Å; K821-W875 HydrophobicContact CB-CZ3 4.01Å; K821-W875 HydrophobicContact CD-CD2 4.41Å
822	T	75.8	Confident	80.2	Confident	27 Å²	27	46.5 Å²	46.5	17%	0.166	26%	0.263	C	S	.	.			trans	-149.5	161.5	-174.3	-167.2	0	0	0	0	113	F820 V824 L843 N871 N873	F820-T822 HydrophobicContact CD2-CG2 3.93Å; F820-T822 HydrophobicContact CE2-CG2 3.92Å; T822-V824 WeakPolarHBondContact OG1-CG2 3.38Å; T822-V824 PolarHBondContact OG1-N 3.32Å; T822-L843 HydrophobicContact CG2-CD2 3.98Å; T822-N871 HydrophobicContact CG2-CB 4.08Å; T822-N871 CarbonylContact O-C 3.54Å; T822-N871 VanDerWaalsContact O-CA 3.23Å; T822-N871 WeakPolarHBondContact O-CA 3.3Å; T822-N873 WeakPolarHBondContact O-CA 3.28Å; T822-N873 PolarHBondContact O-N 3.48Å
823	T	76.8	Confident	80	Confident	95 Å²	95	46.5 Å²	46.5	58%	0.583	26%	0.263	S	S	*	.			trans	-117	-11	168.4	51.5	0	0	0	0	112.1	N871 N873	T823-N871 PolarHBondContact O-ND2 2.97Å; T823-N873 HydrophobicContact CG2-CB 3.76Å
824	V	73.4	Confident	79.4	Confident	55 Å²	55	46 Å²	46	33%	0.333	26%	0.263	S	S	.	.	S	Bend	trans	-76.1	146.1	177.7	-69.7	0	0	0	0	111	T822 S826 L843 N871	T822-V824 WeakPolarHBondContact OG1-CG2 3.38Å; T822-V824 PolarHBondContact OG1-N 3.32Å; V824-S826 VanDerWaalsContact C-N 3.34Å; V824-L843 WeakPolarHBondContact O-CD2 3.45Å; V824-N871 WeakPolarHBondContact O-CB 3.44Å
825	S	77.4	Confident	78.6	Confident	64 Å²	64	53.2 Å²	53.2	45%	0.448	30%	0.3	S	S	.	.	S	Bend	trans	-78.9	-14	-175	52.2	0	0	0	0	114.5	A845 P846	S825-A845 CarbonylContact O-C 3.54Å; S825-A845 WeakPolarHBondContact O-CA 3.41Å; S825-P846 VanDerWaalsContact O-CD 3.3Å; S825-P846 WeakPolarHBondContact O-CD 3.47Å; S825-P846 VanDerWaalsContact O-N 3.15Å
826	S	77.6	Confident	77.9	Confident	52 Å²	52	54.8 Å²	54.8	36%	0.364	31%	0.312	S	S	.	.			trans	-160.4	150.2	179.2	58.5	0	0	0	0	110.9	V824 L843	V824-S826 VanDerWaalsContact C-N 3.34Å; S826-L843 CarbonylContact C-O 3.41Å; S826-L843 WeakPolarHBondContact CA-O 3.25Å; S826-L843 WeakPolarHBondContact CB-O 3.49Å
827	G	70.9	Confident	77.8	Confident	19 Å²	19	54.4 Å²	54.4	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	160.4	-179.5	0	0	0	0	0	112.1	E842 L843	G827-E842 CarbonylContact O-C 3.25Å; G827-E842 VanDerWaalsContact O-CA 3.3Å; G827-E842 WeakPolarHBondContact O-CA 3.39Å; G827-E842 WeakPolarHBondContact O-CB 3.42Å; G827-L843 PolarHBondContact N-O 3.49Å; G827-L843 PolarHBondContact O-N 3.07Å
828	V	79.4	Confident	78	Confident	51 Å²	51	51.9 Å²	51.9	31%	0.309	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	107.8	-178.3	177.6	0	0	0	0	108.8	E831 R840 E842 E918	V828-E831 HydrophobicContact CG1-CB 4.32Å; V828-R840 HydrophobicContact CG1-CG 3.89Å; V828-E842 HydrophobicContact CG2-CB 4.14Å; V828-E918 PolarHBondContact N-OE1 3.31Å; V828-E918 WeakPolarHBondContact O-CG 3.38Å
829	F	81.9	Confident	78.4	Confident	31 Å²	31	49.8 Å²	49.8	14%	0.136	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-40.7	-178.2	-57.9	-62.5	0	0	0	112.5	F818 F820 I841 L843 I917	F818-F829 HydrophobicContact CE1-CB 4.32Å; F818-F829 HydrophobicContact CE2-CB 3.87Å; F818-F829 AromaticContact CE2-CD1 3.87Å; F818-F829 HydrophobicContact CE2-CD1 3.87Å; F818-F829 AromaticContact CE2-CD2 3.97Å; F818-F829 HydrophobicContact CE2-CD2 3.97Å; F818-F829 HydrophobicContact CE2-CE1 4.37Å; F818-F829 HydrophobicContact CE2-CE2 4.43Å; F818-F829 AromaticContact CE2-CG 3.63Å; F818-F829 HydrophobicContact CE2-CG 3.63Å; F818-F829 HydrophobicContact CZ-CB 3.54Å; F818-F829 HydrophobicContact CZ-CD1 4.28Å; F818-F829 AromaticContact CZ-CD2 3.63Å; F818-F829 HydrophobicContact CZ-CD2 3.63Å; F818-F829 HydrophobicContact CZ-CE2 4.34Å; F818-F829 AromaticContact CZ-CG 3.56Å; F818-F829 HydrophobicContact CZ-CG 3.56Å; F820-F829 HydrophobicContact CB-CD1 4.42Å; F820-F829 HydrophobicContact CB-CE1 3.84Å; F820-F829 HydrophobicContact CB-CZ 4.33Å; F820-F829 HydrophobicContact CD1-CE1 4.31Å; F820-F829 AromaticContact CD1-CZ 3.96Å; F820-F829 HydrophobicContact CD1-CZ 3.96Å; F820-F829 AromaticContact CD2-CE1 3.81Å; F820-F829 HydrophobicContact CD2-CE1 3.81Å; F820-F829 AromaticContact CD2-CZ 3.66Å; F820-F829 HydrophobicContact CD2-CZ 3.66Å; F820-F829 HydrophobicContact CE1-CZ 4.12Å; F820-F829 HydrophobicContact CE2-CE1 4.44Å; F820-F829 AromaticContact CE2-CZ 3.85Å; F820-F829 HydrophobicContact CE2-CZ 3.85Å; F820-F829 AromaticContact CG-CE1 3.73Å; F820-F829 HydrophobicContact CG-CE1 3.73Å; F820-F829 AromaticContact CG-CZ 3.72Å; F820-F829 HydrophobicContact CG-CZ 3.72Å; F820-F829 HydrophobicContact CZ-CZ 4.06Å; F829-I841 HydrophobicContact CD2-CG2 4.08Å; F829-I841 PolarHBondContact N-O 3.16Å; F829-L843 HydrophobicContact CE2-CB 3.8Å; F829-L843 HydrophobicContact CZ-CB 3.76Å; F829-I917 WeakPolarHBondContact O-CG2 3.17Å
830	M	84.3	Confident	79	Confident	13 Å²	13	47.5 Å²	47.5	6%	0.064	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	136.2	-171.8	-173.4	-168	177.4	0	0	110.4	F808 V816 R840 I841 L915 F916	F808-M830 HydrophobicContact CD2-CE 4.12Å; F808-M830 HydrophobicContact CE2-CE 4.48Å; F808-M830 HydrophobicContact CG-CE 4.21Å; V816-M830 HydrophobicContact CB-SD 4.36Å; V816-M830 HydrophobicContact CG1-SD 3.63Å; V816-M830 HydrophobicContact CG2-CE 3.98Å; V816-M830 HydrophobicContact CG2-SD 3.78Å; M830-R840 VanDerWaalsContact O-CA 3.24Å; M830-R840 WeakPolarHBondContact O-CA 3.38Å; M830-R840 WeakPolarHBondContact O-CG 3.24Å; M830-I841 PolarHBondContact N-O 3.42Å; M830-I841 PolarHBondContact O-N 3.33Å; M830-L915 HydrophobicContact CE-CD1 3.3Å; M830-L915 HydrophobicContact CE-CD2 3.94Å; M830-L915 HydrophobicContact CE-CG 4.26Å; M830-L915 HydrophobicContact CG-CD1 3.54Å; M830-L915 HydrophobicContact SD-CD1 4.21Å; M830-F916 WeakPolarHBondContact CA-O 3.34Å
831	E	85.1	Confident	79.6	Confident	35 Å²	35	46.9 Å²	46.9	16%	0.164	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	131.7	169.6	-179.2	178.9	-106.9	0	0	111.7	V828 L833 I839 R840 F916 K1099	V828-E831 HydrophobicContact CG1-CB 4.32Å; E831-L833 HydrophobicContact CG-CD2 3.83Å; E831-L833 HydrophobicContact CG-CG 4.16Å; E831-I839 WeakPolarHBondContact CA-O 3.42Å; E831-R840 IonicContact OE1-CZ 3.49Å; E831-R840 VanDerWaalsContact OE1-CZ 3.31Å; E831-R840 IonicContact OE1-NE 3.43Å; E831-R840 PolarHBondContact OE1-NE 3.29Å; E831-R840 VanDerWaalsContact OE1-NE 3.17Å; E831-R840 IonicContact OE1-NH2 2.95Å; E831-R840 PolarHBondContact OE1-NH2 2.98Å; E831-F916 PolarHBondContact N-O 2.95Å; E831-F916 PolarHBondContact O-N 3.41Å; E831-K1099 IonicContact OE2-NZ 3.74Å
832	N	80.2	Confident	80	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.6	164.6	-152.7	140.5	0	0	0	109.5	F808 F838 I839 L911 S913 L915	F808-N832 VanDerWaalsContact CB-OD1 3.29Å; F808-N832 WeakPolarHBondContact CB-OD1 3.39Å; F808-N832 PolarHBondContact N-OD1 2.61Å; N832-F838 WeakPolarHBondContact O-CA 3.28Å; N832-I839 HydrophobicContact CB-CG2 3.72Å; N832-I839 PolarHBondContact N-O 2.97Å; N832-I839 PolarHBondContact O-N 3.31Å; N832-L911 HydrophobicContact CB-CD1 3.92Å; N832-L911 HydrophobicContact CB-CD2 4.28Å; N832-S913 PolarHBondContact ND2-O 3.33Å; N832-S913 PolarHBondContact ND2-OG 2.85Å; N832-L915 HydrophobicContact CB-CD1 3.99Å
833	L	80	Confident	80.5	Confident	56 Å²	56	42 Å²	42	29%	0.293	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148	-179.5	-51.5	176	0	0	0	112	E831 F838 N912 S913	E831-L833 HydrophobicContact CG-CD2 3.83Å; E831-L833 HydrophobicContact CG-CG 4.16Å; L833-F838 HydrophobicContact CD2-CB 3.79Å; L833-N912 PolarHBondContact O-N 2.83Å; L833-N912 PolarHBondContact O-OD1 3.01Å; L833-S913 VanDerWaalsContact CA-OG 3.29Å; L833-S913 WeakPolarHBondContact CA-OG 3.22Å; L833-S913 WeakPolarHBondContact CB-OG 3.5Å; L833-S913 PolarHBondContact N-OG 2.91Å; L833-S913 WeakPolarHBondContact O-CB 3.27Å; L833-S913 PolarHBondContact O-N 2.77Å; L833-S913 PolarHBondContact O-OG 2.84Å
834	G	74.1	Confident	80.8	Confident	16 Å²	16	42 Å²	42	17%	0.165	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-113.2	-161.8	167	0	0	0	0	0	111.5	D837 Q910 N912	G834-D837 VanDerWaalsContact CA-O 3.3Å; G834-D837 WeakPolarHBondContact CA-O 3.29Å; G834-D837 PolarHBondContact N-O 3.21Å; G834-Q910 WeakPolarHBondContact CA-O 3.25Å; G834-N912 WeakPolarHBondContact CA-OD1 3.17Å
835	I	69.4	Low	81.2	Confident	153 Å²	153	40.7 Å²	40.7	79%	0.785	23%	0.225	S	C	*	.	S	Bend	trans	-74	-53.4	176.1	-58.4	177.8	0	0	0	110.1	N912	I835-N912 VanDerWaalsContact CG1-ND2 3.3Å; I835-N912 WeakPolarHBondContact CG1-ND2 3.47Å
836	T	70.1	Confident	81.7	Confident	98 Å²	98	39.7 Å²	39.7	60%	0.601	22%	0.217	S	C	*	.	S	Bend	trans	-109.2	-22.8	172.1	43.5	0	0	0	0	111.8
837	D	82.9	Confident	82.4	Confident	10 Å²	10	39.5 Å²	39.5	5%	0.053	21%	0.213	C	C	.	.			trans	-92.8	156.3	-167.1	-62.2	19.7	0	0	0	111.1	G834 D854 L909 Q910	G834-D837 VanDerWaalsContact CA-O 3.3Å; G834-D837 WeakPolarHBondContact CA-O 3.29Å; G834-D837 PolarHBondContact N-O 3.21Å; D837-D854 CarbonylContact C-O 3.53Å; D837-D854 WeakPolarHBondContact CA-O 3.45Å; D837-D854 VanDerWaalsContact CB-O 3.24Å; D837-D854 WeakPolarHBondContact CB-O 3.29Å; D837-L909 HydrophobicContact CB-CD1 4.16Å; D837-Q910 PolarHBondContact OD2-N 3.33Å
838	F	85.9	Confident	83.5	Confident	43 Å²	43	40.9 Å²	40.9	19%	0.189	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	163.2	167.5	69.8	-87.8	0	0	0	111.6	N832 L833 R840 F853 D854 P859	N832-F838 WeakPolarHBondContact O-CA 3.28Å; L833-F838 HydrophobicContact CD2-CB 3.79Å; F838-R840 HydrophobicContact CD2-CB 4.39Å; F838-F853 CarbonylContact O-C 3.57Å; F838-F853 WeakPolarHBondContact O-CA 3.49Å; F838-F853 WeakPolarHBondContact O-CB 3.05Å; F838-D854 HydrophobicContact CD1-CB 3.69Å; F838-D854 HydrophobicContact CE1-CB 3.5Å; F838-D854 HydrophobicContact CZ-CB 4.35Å; F838-D854 PolarHBondContact N-O 3.18Å; F838-D854 PolarHBondContact O-N 3.02Å; F838-P859 HydrophobicContact CE1-CB 4.41Å; F838-P859 HydrophobicContact CZ-CB 4.21Å
839	I	88	Confident	84.3	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.8	168.5	-170.7	172.3	0	0	0	109	F808 E831 N832 F851 S852 F853 L909 L911	F808-I839 HydrophobicContact CE1-CD1 4.46Å; E831-I839 WeakPolarHBondContact CA-O 3.42Å; N832-I839 HydrophobicContact CB-CG2 3.72Å; N832-I839 PolarHBondContact N-O 2.97Å; N832-I839 PolarHBondContact O-N 3.31Å; I839-F851 HydrophobicContact CD1-CE2 3.76Å; I839-F851 HydrophobicContact CD1-CZ 3.98Å; I839-F851 HydrophobicContact CG1-CE2 3.54Å; I839-F851 HydrophobicContact CG1-CZ 4.18Å; I839-S852 CarbonylContact C-O 3.58Å; I839-F853 HydrophobicContact CB-CB 4.45Å; I839-F853 HydrophobicContact CG1-CB 4.41Å; I839-L909 HydrophobicContact CB-CD2 4.2Å; I839-L909 HydrophobicContact CD1-CD2 4.11Å; I839-L909 HydrophobicContact CG2-CD2 4.42Å; I839-L911 HydrophobicContact CG2-CD1 3.74Å; I839-L911 HydrophobicContact CG2-CD2 4.32Å
840	R	88.9	Confident	84.9	Confident	63 Å²	63	37 Å²	37	24%	0.238	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	138	-177	-179.3	-169.2	-66.5	166.8	4.3	112.2	V828 M830 E831 F838 E842 S852	V828-R840 HydrophobicContact CG1-CG 3.89Å; M830-R840 VanDerWaalsContact O-CA 3.24Å; M830-R840 WeakPolarHBondContact O-CA 3.38Å; M830-R840 WeakPolarHBondContact O-CG 3.24Å; E831-R840 IonicContact OE1-CZ 3.49Å; E831-R840 VanDerWaalsContact OE1-CZ 3.31Å; E831-R840 IonicContact OE1-NE 3.43Å; E831-R840 PolarHBondContact OE1-NE 3.29Å; E831-R840 VanDerWaalsContact OE1-NE 3.17Å; E831-R840 IonicContact OE1-NH2 2.95Å; E831-R840 PolarHBondContact OE1-NH2 2.98Å; F838-R840 HydrophobicContact CD2-CB 4.39Å; R840-E842 WeakPolarHBondContact CD-OE2 3.37Å; R840-E842 IonicContact NH1-OE2 3.67Å; R840-S852 PolarHBondContact N-O 3Å; R840-S852 PolarHBondContact O-N 3.4Å; R840-S852 PolarHBondContact O-OG 3.2Å
841	I	90.8	Very high	85.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.2	167.7	-54.4	174.4	0	0	0	108.8	V816 F818 F829 M830 V849 T850 F851 V878 A880	V816-I841 HydrophobicContact CB-CD1 3.85Å; V816-I841 HydrophobicContact CG1-CD1 3.62Å; V816-I841 HydrophobicContact CG2-CD1 4.38Å; F818-I841 HydrophobicContact CE1-CD1 4.09Å; F818-I841 HydrophobicContact CE1-CG2 4.25Å; F818-I841 HydrophobicContact CZ-CG2 4.13Å; F829-I841 HydrophobicContact CD2-CG2 4.08Å; F829-I841 PolarHBondContact N-O 3.16Å; M830-I841 PolarHBondContact N-O 3.42Å; M830-I841 PolarHBondContact O-N 3.33Å; I841-V849 HydrophobicContact CG2-CG1 4.23Å; I841-T850 WeakPolarHBondContact CA-O 3.3Å; I841-F851 HydrophobicContact CD1-CD2 4.29Å; I841-F851 HydrophobicContact CG1-CD2 3.61Å; I841-F851 HydrophobicContact CG1-CE2 4.2Å; I841-F851 HydrophobicContact CG1-CG 4.4Å; I841-V878 HydrophobicContact CG2-CG1 4.38Å; I841-A880 HydrophobicContact CD1-CB 3.72Å
842	E	86.8	Confident	85.8	Confident	22 Å²	22	35 Å²	35	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.9	-176.9	66.3	-176.2	-168.7	0	0	112.4	G827 V828 R840 R844 V849 T850	G827-E842 CarbonylContact O-C 3.25Å; G827-E842 VanDerWaalsContact O-CA 3.3Å; G827-E842 WeakPolarHBondContact O-CA 3.39Å; G827-E842 WeakPolarHBondContact O-CB 3.42Å; V828-E842 HydrophobicContact CG2-CB 4.14Å; R840-E842 WeakPolarHBondContact CD-OE2 3.37Å; R840-E842 IonicContact NH1-OE2 3.67Å; E842-R844 HydrophobicContact CG-CB 4.47Å; E842-R844 PolarHBondContact O-N 2.96Å; E842-R844 IonicContact OE1-CZ 3.84Å; E842-R844 IonicContact OE1-NE 3.6Å; E842-R844 PolarHBondContact OE1-NE 3.47Å; E842-R844 IonicContact OE1-NH2 3.69Å; E842-R844 PolarHBondContact OE1-NH2 3.19Å; E842-V849 WeakPolarHBondContact O-CA 3.06Å; E842-T850 PolarHBondContact N-O 3.44Å; E842-T850 PolarHBondContact O-N 3.43Å
843	L	86.3	Confident	86.2	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	103.3	157.9	-176.2	71.6	0	0	0	106.5	T822 V824 S826 G827 F829 A845 V849 F870	T822-L843 HydrophobicContact CG2-CD2 3.98Å; V824-L843 WeakPolarHBondContact O-CD2 3.45Å; S826-L843 CarbonylContact C-O 3.41Å; S826-L843 WeakPolarHBondContact CA-O 3.25Å; S826-L843 WeakPolarHBondContact CB-O 3.49Å; G827-L843 PolarHBondContact N-O 3.49Å; G827-L843 PolarHBondContact O-N 3.07Å; F829-L843 HydrophobicContact CE2-CB 3.8Å; F829-L843 HydrophobicContact CZ-CB 3.76Å; L843-A845 WeakPolarHBondContact CD1-O 3.47Å; L843-A845 WeakPolarHBondContact CG-O 3.4Å; L843-V849 HydrophobicContact CD1-CG2 3.93Å; L843-F870 HydrophobicContact CD1-CB 4.19Å; L843-F870 HydrophobicContact CD1-CD2 4.33Å
844	R	82.9	Confident	86.5	Confident	96 Å²	96	34.2 Å²	34.2	36%	0.362	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-36.3	-176.9	-177.7	167.9	-73	-166.3	1.8	111.5	E842 E848 E861	E842-R844 HydrophobicContact CG-CB 4.47Å; E842-R844 PolarHBondContact O-N 2.96Å; E842-R844 IonicContact OE1-CZ 3.84Å; E842-R844 IonicContact OE1-NE 3.6Å; E842-R844 PolarHBondContact OE1-NE 3.47Å; E842-R844 IonicContact OE1-NH2 3.69Å; E842-R844 PolarHBondContact OE1-NH2 3.19Å; R844-E848 PolarHBondContact N-O 3.16Å; R844-E861 IonicContact CZ-OE1 3.48Å; R844-E861 IonicContact CZ-OE2 2.8Å; R844-E861 IonicContact NH1-OE1 3.74Å; R844-E861 PolarHBondContact NH1-OE1 3.27Å; R844-E861 IonicContact NH1-OE2 2.87Å; R844-E861 PolarHBondContact NH1-OE2 3.1Å; R844-E861 IonicContact NH2-OE1 3.02Å; R844-E861 PolarHBondContact NH2-OE1 2.96Å; R844-E861 IonicContact NH2-OE2 3.54Å
845	A	82.7	Confident	87	Confident	27 Å²	27	33.9 Å²	33.9	22%	0.223	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	166.9	176.5	0	0	0	0	0	109.5	S825 L843 T847 E848	S825-A845 CarbonylContact O-C 3.54Å; S825-A845 WeakPolarHBondContact O-CA 3.41Å; L843-A845 WeakPolarHBondContact CD1-O 3.47Å; L843-A845 WeakPolarHBondContact CG-O 3.4Å; A845-T847 PolarHBondContact O-N 2.9Å; A845-E848 HydrophobicContact CB-CB 4.1Å; A845-E848 HydrophobicContact CB-CG 4.05Å; A845-E848 PolarHBondContact N-O 3.33Å; A845-E848 PolarHBondContact O-N 3.06Å
846	P	87.6	Confident	87.2	Confident	44 Å²	44	28.4 Å²	28.4	29%	0.286	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-30.5	-178.2	-31.6	37.5	0	0	0	114.6	S825 P869 F870 N871	S825-P846 VanDerWaalsContact O-CD 3.3Å; S825-P846 WeakPolarHBondContact O-CD 3.47Å; S825-P846 VanDerWaalsContact O-N 3.15Å; P846-P869 HydrophobicContact CB-CB 4.09Å; P846-P869 CarbonylContact O-C 3.55Å; P846-P869 VanDerWaalsContact O-CA 3.3Å; P846-P869 WeakPolarHBondContact O-CA 3.37Å; P846-F870 PolarHBondContact O-N 3.35Å; P846-N871 WeakPolarHBondContact CB-OD1 3.44Å
847	T	92.3	Very high	87.4	Confident	47 Å²	47	26 Å²	26	29%	0.288	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	6.8	-177.4	51.4	0	0	0	0	113.3	A845 Q865 S866 P869	A845-T847 PolarHBondContact O-N 2.9Å; T847-Q865 CarbonylContact O-C 3.37Å; T847-Q865 WeakPolarHBondContact O-CA 3.47Å; T847-S866 WeakPolarHBondContact CB-O 3.47Å; T847-S866 PolarHBondContact O-N 3.37Å; T847-P869 HydrophobicContact CG2-CB 4.33Å; T847-P869 HydrophobicContact CG2-CG 4.23Å
848	E	94.4	Very high	87.1	Confident	49 Å²	49	27 Å²	27	23%	0.229	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117.4	-169.1	-53.6	-165.3	151.4	0	0	112.5	R844 A845 T863 Q865	R844-E848 PolarHBondContact N-O 3.16Å; A845-E848 HydrophobicContact CB-CB 4.1Å; A845-E848 HydrophobicContact CB-CG 4.05Å; A845-E848 PolarHBondContact N-O 3.33Å; A845-E848 PolarHBondContact O-N 3.06Å; E848-T863 HydrophobicContact CB-CG2 4.28Å; E848-Q865 HydrophobicContact CG-CG 4.08Å; E848-Q865 PolarHBondContact OE1-NE2 2.6Å
849	V	94.9	Very high	86.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.9	168.3	179.3	0	0	0	0	108.6	F820 I841 E842 L843 T863 V864 F870 V878 L889 V891	F820-V849 HydrophobicContact CZ-CG2 4.33Å; I841-V849 HydrophobicContact CG2-CG1 4.23Å; E842-V849 WeakPolarHBondContact O-CA 3.06Å; L843-V849 HydrophobicContact CD1-CG2 3.93Å; V849-T863 WeakPolarHBondContact O-CA 3.47Å; V849-V864 PolarHBondContact N-O 3.18Å; V849-V864 VanDerWaalsContact N-O 3.1Å; V849-V864 PolarHBondContact O-N 2.86Å; V849-F870 HydrophobicContact CG2-CD2 3.85Å; V849-F870 HydrophobicContact CG2-CE2 3.91Å; V849-V878 HydrophobicContact CG1-CG2 4.48Å; V849-L889 HydrophobicContact CG1-CD2 4.25Å; V849-L889 VanDerWaalsContact O-CD2 3.31Å; V849-L889 WeakPolarHBondContact O-CD2 3.2Å; V849-V891 HydrophobicContact CB-CG2 3.86Å; V849-V891 HydrophobicContact CG1-CG2 4.11Å; V849-V891 HydrophobicContact CG2-CG2 4.1Å
850	T	95.2	Very high	87	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.2	-176.3	-59.4	0	0	0	0	110.8	I841 E842 E861 V862 T863	I841-T850 WeakPolarHBondContact CA-O 3.3Å; E842-T850 PolarHBondContact N-O 3.44Å; E842-T850 PolarHBondContact O-N 3.43Å; T850-E861 HydrophobicContact CG2-CB 4.27Å; T850-V862 WeakPolarHBondContact CA-O 3.49Å; T850-T863 WeakPolarHBondContact CG2-OG1 3.32Å; T850-T863 PolarHBondContact OG1-OG1 3.16Å
851	F	95.4	Very high	87.1	Confident	1 Å²	1	32.2 Å²	32.2	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.2	169	175.2	-142.8	0	0	0	108.9	I839 I841 F853 E861 V862 A880 R882 A887 L889	I839-F851 HydrophobicContact CD1-CE2 3.76Å; I839-F851 HydrophobicContact CD1-CZ 3.98Å; I839-F851 HydrophobicContact CG1-CE2 3.54Å; I839-F851 HydrophobicContact CG1-CZ 4.18Å; I841-F851 HydrophobicContact CD1-CD2 4.29Å; I841-F851 HydrophobicContact CG1-CD2 3.61Å; I841-F851 HydrophobicContact CG1-CE2 4.2Å; I841-F851 HydrophobicContact CG1-CG 4.4Å; F851-F853 HydrophobicContact CE1-CD1 4.14Å; F851-F853 HydrophobicContact CE1-CE1 4.28Å; F851-F853 HydrophobicContact CE2-CD1 4.46Å; F851-F853 HydrophobicContact CZ-CD1 4.1Å; F851-E861 CarbonylContact O-C 3.39Å; F851-E861 WeakPolarHBondContact O-CA 3.27Å; F851-V862 HydrophobicContact CB-CB 4.45Å; F851-V862 PolarHBondContact N-O 2.88Å; F851-V862 PolarHBondContact O-N 3.05Å; F851-A880 HydrophobicContact CD1-CB 4.05Å; F851-A880 HydrophobicContact CD2-CB 4.38Å; F851-A880 HydrophobicContact CE1-CB 4.23Å; F851-A880 HydrophobicContact CG-CB 4.12Å; F851-A880 HydrophobicContact CZ-CB 4.47Å; F851-R882 HydrophobicContact CE1-CB 4Å; F851-R882 HydrophobicContact CZ-CB 3.91Å; F851-A887 HydrophobicContact CD1-CB 4.29Å; F851-A887 HydrophobicContact CE1-CB 3.89Å; F851-L889 HydrophobicContact CB-CB 4.35Å; F851-L889 HydrophobicContact CB-CD1 4.21Å; F851-L889 HydrophobicContact CB-CD2 4.02Å; F851-L889 HydrophobicContact CB-CG 4.43Å
852	S	92.2	Very high	87.4	Confident	4 Å²	4	32.4 Å²	32.4	3%	0.028	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.2	-175.3	60.5	0	0	0	0	111.7	I839 R840 C860	I839-S852 CarbonylContact C-O 3.58Å; R840-S852 PolarHBondContact N-O 3Å; R840-S852 PolarHBondContact O-N 3.4Å; R840-S852 PolarHBondContact O-OG 3.2Å; S852-C860 CarbonylContact C-O 3.49Å; S852-C860 VanDerWaalsContact CA-O 3.26Å; S852-C860 WeakPolarHBondContact CA-O 3.47Å
853	F	89.8	Confident	87.8	Confident	17 Å²	17	33.5 Å²	33.5	8%	0.075	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	159.9	179.1	62.5	-84.7	0	0	0	112.2	F838 I839 F851 V855 C860 R882 A887	F838-F853 CarbonylContact O-C 3.57Å; F838-F853 WeakPolarHBondContact O-CA 3.49Å; F838-F853 WeakPolarHBondContact O-CB 3.05Å; I839-F853 HydrophobicContact CB-CB 4.45Å; I839-F853 HydrophobicContact CG1-CB 4.41Å; F851-F853 HydrophobicContact CE1-CD1 4.14Å; F851-F853 HydrophobicContact CE1-CE1 4.28Å; F851-F853 HydrophobicContact CE2-CD1 4.46Å; F851-F853 HydrophobicContact CZ-CD1 4.1Å; F853-V855 HydrophobicContact CD2-CG1 4.31Å; F853-C860 HydrophobicContact CD1-CB 4.42Å; F853-C860 HydrophobicContact CD2-CB 4.31Å; F853-C860 HydrophobicContact CE1-CB 3.94Å; F853-C860 HydrophobicContact CE2-CB 3.84Å; F853-C860 HydrophobicContact CZ-CB 3.64Å; F853-C860 WeakPolarHBondContact CZ-SG 3.22Å; F853-C860 PolarHBondContact N-O 3.44Å; F853-C860 PolarHBondContact O-N 3.03Å; F853-R882 HydrophobicContact CE2-CG 4.26Å; F853-R882 HydrophobicContact CZ-CG 4.26Å; F853-A887 HydrophobicContact CD1-CB 4.37Å; F853-A887 HydrophobicContact CE1-CB 3.28Å; F853-A887 HydrophobicContact CZ-CB 3.54Å
854	D	86.9	Confident	88.3	Confident	24 Å²	24	33.5 Å²	33.5	13%	0.128	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.4	168.3	-165.7	-14.7	0	0	0	108.7	D837 F838 G856 N857 G858	D837-D854 CarbonylContact C-O 3.53Å; D837-D854 WeakPolarHBondContact CA-O 3.45Å; D837-D854 VanDerWaalsContact CB-O 3.24Å; D837-D854 WeakPolarHBondContact CB-O 3.29Å; F838-D854 HydrophobicContact CD1-CB 3.69Å; F838-D854 HydrophobicContact CE1-CB 3.5Å; F838-D854 HydrophobicContact CZ-CB 4.35Å; F838-D854 PolarHBondContact N-O 3.18Å; F838-D854 PolarHBondContact O-N 3.02Å; D854-G856 WeakPolarHBondContact OD1-CA 3.22Å; D854-G856 PolarHBondContact OD1-N 3.4Å; D854-N857 PolarHBondContact OD1-N 3.44Å; D854-G858 WeakPolarHBondContact OD1-CA 3.05Å; D854-G858 PolarHBondContact OD1-N 3.09Å; D854-G858 VanDerWaalsContact OD2-C 3.26Å; D854-G858 WeakPolarHBondContact OD2-CA 3.4Å
855	V	83.9	Confident	88.9	Confident	9 Å²	9	35.2 Å²	35.2	6%	0.055	21%	0.213	C	C	.	.	S	Bend	trans	-120.7	16.1	178.2	-65	0	0	0	0	111.5	F853 H906 L909	F853-V855 HydrophobicContact CD2-CG1 4.31Å; V855-H906 HydrophobicContact CG2-CB 4.44Å; V855-H906 VanDerWaalsContact CG2-O 3.31Å; V855-H906 WeakPolarHBondContact CG2-O 3.49Å; V855-H906 WeakPolarHBondContact O-CB 3.26Å; V855-L909 HydrophobicContact CG1-CB 3.92Å; V855-L909 HydrophobicContact CG1-CD1 3.68Å; V855-L909 HydrophobicContact CG1-CG 4.39Å
856	G	73	Confident	89.4	Confident	38 Å²	38	34.6 Å²	34.6	39%	0.392	21%	0.207	S	C	.	.	S	Bend	trans	98.1	2.5	-174.9	0	0	0	0	0	114.6	D854	D854-G856 WeakPolarHBondContact OD1-CA 3.22Å; D854-G856 PolarHBondContact OD1-N 3.4Å
857	N	74.6	Confident	89.7	Confident	47 Å²	47	38.2 Å²	38.2	25%	0.251	23%	0.23	S	C	.	.	S	Bend	trans	-95.9	-2.7	172.8	-61.1	-39.8	0	0	0	112.6	D854 G905 H906	D854-N857 PolarHBondContact OD1-N 3.44Å; N857-G905 WeakPolarHBondContact OD1-CA 3.5Å; N857-H906 PolarHBondContact ND2-N 3.39Å; N857-H906 PolarHBondContact ND2-O 2.98Å; N857-H906 PolarHBondContact OD1-N 3.47Å
858	G	77	Confident	89.7	Confident	30 Å²	30	40 Å²	40	31%	0.309	24%	0.241	S	C	.	.			trans	99.6	163.2	-168.1	0	0	0	0	0	111.9	D854 C860	D854-G858 WeakPolarHBondContact OD1-CA 3.05Å; D854-G858 PolarHBondContact OD1-N 3.09Å; D854-G858 VanDerWaalsContact OD2-C 3.26Å; D854-G858 WeakPolarHBondContact OD2-CA 3.4Å; G858-C860 PolarHBondContact O-N 3.31Å
859	P	82	Confident	89.5	Confident	98 Å²	98	40.5 Å²	40.5	64%	0.636	25%	0.248	S	C	*	.			trans	-68.3	131.2	-174.6	27.1	-34.4	0	0	0	111.5	F838	F838-P859 HydrophobicContact CE1-CB 4.41Å; F838-P859 HydrophobicContact CZ-CB 4.21Å
860	C	88.4	Confident	89.3	Confident	28 Å²	28	40.5 Å²	40.5	19%	0.189	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.7	176.4	-178.2	0	0	0	0	109.3	S852 F853 G858 Q899	S852-C860 CarbonylContact C-O 3.49Å; S852-C860 VanDerWaalsContact CA-O 3.26Å; S852-C860 WeakPolarHBondContact CA-O 3.47Å; F853-C860 HydrophobicContact CD1-CB 4.42Å; F853-C860 HydrophobicContact CD2-CB 4.31Å; F853-C860 HydrophobicContact CE1-CB 3.94Å; F853-C860 HydrophobicContact CE2-CB 3.84Å; F853-C860 HydrophobicContact CZ-CB 3.64Å; F853-C860 WeakPolarHBondContact CZ-SG 3.22Å; F853-C860 PolarHBondContact N-O 3.44Å; F853-C860 PolarHBondContact O-N 3.03Å; G858-C860 PolarHBondContact O-N 3.31Å; C860-Q899 WeakPolarHBondContact SG-CG 3.39Å
861	E	92.9	Very high	88.9	Confident	92 Å²	92	42.3 Å²	42.3	43%	0.43	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135	-179.6	-59.3	-166.2	153.1	0	0	111.5	R844 T850 F851	R844-E861 IonicContact CZ-OE1 3.48Å; R844-E861 IonicContact CZ-OE2 2.8Å; R844-E861 IonicContact NH1-OE1 3.74Å; R844-E861 PolarHBondContact NH1-OE1 3.27Å; R844-E861 IonicContact NH1-OE2 2.87Å; R844-E861 PolarHBondContact NH1-OE2 3.1Å; R844-E861 IonicContact NH2-OE1 3.02Å; R844-E861 PolarHBondContact NH2-OE1 2.96Å; R844-E861 IonicContact NH2-OE2 3.54Å; T850-E861 HydrophobicContact CG2-CB 4.27Å; F851-E861 CarbonylContact O-C 3.39Å; F851-E861 WeakPolarHBondContact O-CA 3.27Å
862	V	95.7	Very high	88.6	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.6	171.8	-169.1	0	0	0	0	107.8	T850 F851 A887 L889 K897 Q899	T850-V862 WeakPolarHBondContact CA-O 3.49Å; F851-V862 HydrophobicContact CB-CB 4.45Å; F851-V862 PolarHBondContact N-O 2.88Å; F851-V862 PolarHBondContact O-N 3.05Å; V862-A887 HydrophobicContact CG2-CB 4Å; V862-L889 HydrophobicContact CB-CB 4.24Å; V862-L889 HydrophobicContact CG1-CB 3.78Å; V862-L889 WeakPolarHBondContact O-CD2 3.37Å; V862-K897 HydrophobicContact CG1-CB 3.74Å; V862-Q899 HydrophobicContact CG2-CB 3.64Å
863	T	95.9	Very high	88	Confident	44 Å²	44	49.2 Å²	49.2	27%	0.27	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.2	-176.5	-60.8	0	0	0	0	111.1	E848 V849 T850 Q865	E848-T863 HydrophobicContact CB-CG2 4.28Å; V849-T863 WeakPolarHBondContact O-CA 3.47Å; T850-T863 WeakPolarHBondContact CG2-OG1 3.32Å; T850-T863 PolarHBondContact OG1-OG1 3.16Å; T863-Q865 HydrophobicContact CG2-CG 4.31Å
864	V	96.9	Very high	87.8	Confident	3 Å²	3	54 Å²	54	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.6	170.1	173.7	0	0	0	0	108.4	V849 L889 V891 L894 K897	V849-V864 PolarHBondContact N-O 3.18Å; V849-V864 VanDerWaalsContact N-O 3.1Å; V849-V864 PolarHBondContact O-N 2.86Å; V864-L889 HydrophobicContact CB-CD2 4.29Å; V864-L889 HydrophobicContact CG2-CB 4.11Å; V864-L889 HydrophobicContact CG2-CD2 3.89Å; V864-L889 HydrophobicContact CG2-CG 3.75Å; V864-L889 WeakPolarHBondContact CG2-O 3.24Å; V864-V891 HydrophobicContact CB-CG2 4.02Å; V864-V891 HydrophobicContact CG1-CB 4.13Å; V864-V891 HydrophobicContact CG1-CG2 4.05Å; V864-V891 HydrophobicContact CG2-CG2 4.4Å; V864-L894 HydrophobicContact CG1-CB 4.28Å; V864-L894 HydrophobicContact CG1-CD1 3.87Å; V864-K897 HydrophobicContact CG2-CB 4.17Å; V864-K897 HydrophobicContact CG2-CG 3.86Å
865	Q	95.3	Very high	87.2	Confident	133 Å²	133	59.6 Å²	59.6	62%	0.621	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.7	174.5	-64.4	-175.4	-23.5	0	0	109.8	T847 E848 T863	T847-Q865 CarbonylContact O-C 3.37Å; T847-Q865 WeakPolarHBondContact O-CA 3.47Å; E848-Q865 HydrophobicContact CG-CG 4.08Å; E848-Q865 PolarHBondContact OE1-NE2 2.6Å; T863-Q865 HydrophobicContact CG2-CG 4.31Å
866	S	93.7	Very high	87.2	Confident	14 Å²	14	59.7 Å²	59.7	10%	0.098	34%	0.336	C	S	.	.			trans	-108	144.8	176.3	175.8	0	0	0	0	111.8	T847 T868	T847-S866 WeakPolarHBondContact CB-O 3.47Å; T847-S866 PolarHBondContact O-N 3.37Å; S866-T868 WeakPolarHBondContact CB-O 3.37Å; S866-T868 PolarHBondContact O-N 2.97Å; S866-T868 PolarHBondContact OG-N 2.83Å; S866-T868 VanDerWaalsContact OG-N 3.15Å; S866-T868 PolarHBondContact OG-O 2.8Å; S866-T868 PolarHBondContact OG-OG1 2.89Å
867	P	92.7	Very high	87.7	Confident	119 Å²	119	59.6 Å²	59.6	77%	0.773	33%	0.326	S	S	*	.	S	Bend	trans	-66.4	-23.3	170.9	28.1	-34.9	0	0	0	113
868	T	92.1	Very high	88.4	Confident	84 Å²	84	57.3 Å²	57.3	52%	0.515	31%	0.314	S	S	.	.	S	Bend	trans	-114.5	145.3	176.2	54.1	0	0	0	0	110.8	S866	S866-T868 WeakPolarHBondContact CB-O 3.37Å; S866-T868 PolarHBondContact O-N 2.97Å; S866-T868 PolarHBondContact OG-N 2.83Å; S866-T868 VanDerWaalsContact OG-N 3.15Å; S866-T868 PolarHBondContact OG-O 2.8Å; S866-T868 PolarHBondContact OG-OG1 2.89Å
869	P	91.7	Very high	88.9	Confident	60 Å²	60	61.1 Å²	61.1	39%	0.39	32%	0.319	S	S	.	.			trans	-63.2	139.4	177.8	-19.3	31.6	0	0	0	112.5	P846 T847 N871	P846-P869 HydrophobicContact CB-CB 4.09Å; P846-P869 CarbonylContact O-C 3.55Å; P846-P869 VanDerWaalsContact O-CA 3.3Å; P846-P869 WeakPolarHBondContact O-CA 3.37Å; T847-P869 HydrophobicContact CG2-CB 4.33Å; T847-P869 HydrophobicContact CG2-CG 4.23Å; P869-N871 VanDerWaalsContact C-N 3.3Å; P869-N871 WeakPolarHBondContact CB-OD1 3.34Å
870	F	90.5	Very high	89.4	Confident	1 Å²	1	56.7 Å²	56.7	0%	0.004	29%	0.29	C	S	.	.	S	Bend	trans	-82.4	-4.6	173.8	-63.3	-62.2	0	0	0	113.8	F820 L843 P846 V849 D872 H876 V891 L894	F820-F870 HydrophobicContact CE2-CB 4.13Å; F820-F870 HydrophobicContact CZ-CB 3.85Å; F820-F870 HydrophobicContact CZ-CG 4.34Å; L843-F870 HydrophobicContact CD1-CB 4.19Å; L843-F870 HydrophobicContact CD1-CD2 4.33Å; P846-F870 PolarHBondContact O-N 3.35Å; V849-F870 HydrophobicContact CG2-CD2 3.85Å; V849-F870 HydrophobicContact CG2-CE2 3.91Å; F870-D872 VanDerWaalsContact C-N 3.28Å; F870-H876 WeakPolarHBondContact CA-NE2 3.25Å; F870-H876 AromaticContact CD1-CE1 3.87Å; F870-H876 AromaticContact CD1-CG 3.97Å; F870-H876 AromaticContact CD1-ND1 3.69Å; F870-H876 PolarHBondContact O-CD2 3.29Å; F870-H876 PolarHBondContact O-NE2 3.03Å; F870-V891 HydrophobicContact CD1-CG1 4.07Å; F870-V891 HydrophobicContact CE1-CB 4.16Å; F870-V891 HydrophobicContact CE1-CG1 3.41Å; F870-V891 VanDerWaalsContact CE1-CG1 3.41Å; F870-V891 HydrophobicContact CE2-CG1 4.47Å; F870-V891 HydrophobicContact CZ-CB 3.92Å; F870-V891 HydrophobicContact CZ-CG1 3.61Å; F870-V891 HydrophobicContact CZ-CG2 4.48Å; F870-L894 HydrophobicContact CE1-CD1 4.03Å; F870-L894 HydrophobicContact CZ-CD1 3.68Å
871	N	86.4	Confident	89.4	Confident	38 Å²	38	56.4 Å²	56.4	20%	0.203	29%	0.286	C	S	.	.			trans	-97.4	35.4	175.7	72.6	-38.8	0	0	0	111.7	T822 T823 V824 P846 P869 N873	T822-N871 HydrophobicContact CG2-CB 4.08Å; T822-N871 CarbonylContact O-C 3.54Å; T822-N871 VanDerWaalsContact O-CA 3.23Å; T822-N871 WeakPolarHBondContact O-CA 3.3Å; T823-N871 PolarHBondContact O-ND2 2.97Å; V824-N871 WeakPolarHBondContact O-CB 3.44Å; P846-N871 WeakPolarHBondContact CB-OD1 3.44Å; P869-N871 VanDerWaalsContact C-N 3.3Å; P869-N871 WeakPolarHBondContact CB-OD1 3.34Å; N871-N873 VanDerWaalsContact C-N 3.27Å; N871-N873 PolarHBondContact O-N 3.28Å
872	D	88.3	Confident	89.4	Confident	71 Å²	71	52.4 Å²	52.4	38%	0.38	27%	0.267	S	S	.	.	S	Bend	trans	-87.4	8.9	-176.5	67.6	-1.2	0	0	0	113.4	F870 Q874 H876	F870-D872 VanDerWaalsContact C-N 3.28Å; D872-Q874 PolarHBondContact O-N 2.77Å; D872-Q874 WeakPolarHBondContact OD1-CA 3.15Å; D872-Q874 VanDerWaalsContact OD1-CB 3.23Å; D872-Q874 WeakPolarHBondContact OD1-CB 3.36Å; D872-Q874 PolarHBondContact OD1-N 2.99Å; D872-H876 IonicContact OD1-CD2 2.64Å; D872-H876 IonicContact OD1-CE1 3.89Å; D872-H876 IonicContact OD1-NE2 3.79Å; D872-H876 PolarHBondContact OD1-NE2 2.87Å; D872-H876 IonicContact OD2-CE1 3.68Å; D872-H876 IonicContact OD2-NE2 3.7Å
873	N	80.9	Confident	89.1	Confident	79 Å²	79	52.7 Å²	52.7	42%	0.422	27%	0.269	S	S	.	.	S	Bend	trans	59	27.5	-173.3	-164.1	34	0	0	0	114	K821 T822 T823 N871	K821-N873 WeakPolarHBondContact CD-O 3.3Å; K821-N873 WeakPolarHBondContact CE-OD1 3.46Å; T822-N873 WeakPolarHBondContact O-CA 3.28Å; T822-N873 PolarHBondContact O-N 3.48Å; T823-N873 HydrophobicContact CG2-CB 3.76Å; N871-N873 VanDerWaalsContact C-N 3.27Å; N871-N873 PolarHBondContact O-N 3.28Å
874	Q	84.3	Confident	88.8	Confident	117 Å²	117	51.3 Å²	51.3	55%	0.547	26%	0.26	S	S	.	.	S	Bend	trans	-104.8	162.7	166.3	-57.2	-57.6	-51.7	0	0	111.2	K821 D872 H876	K821-Q874 WeakPolarHBondContact CA-O 3.23Å; K821-Q874 WeakPolarHBondContact CG-O 3.28Å; D872-Q874 PolarHBondContact O-N 2.77Å; D872-Q874 WeakPolarHBondContact OD1-CA 3.15Å; D872-Q874 VanDerWaalsContact OD1-CB 3.23Å; D872-Q874 WeakPolarHBondContact OD1-CB 3.36Å; D872-Q874 PolarHBondContact OD1-N 2.99Å; Q874-H876 PolarHBondContact O-CD2 3.43Å
875	W	74.9	Confident	88.4	Confident	141 Å²	141	53 Å²	53	53%	0.534	27%	0.267	S	S	.	.			trans	-78	125.5	175.4	-75.2	110.9	0	0	0	110.3	F819 F820 K821	F819-W875 HydrophobicContact CB-CE3 3.82Å; F819-W875 HydrophobicContact CB-CZ3 4.09Å; F820-W875 WeakPolarHBondContact O-CA 3.34Å; K821-W875 HydrophobicContact CB-CD2 3.83Å; K821-W875 HydrophobicContact CB-CE3 3.72Å; K821-W875 HydrophobicContact CB-CG 4.4Å; K821-W875 HydrophobicContact CB-CH2 4.38Å; K821-W875 HydrophobicContact CB-CZ2 4.47Å; K821-W875 HydrophobicContact CB-CZ3 4.01Å; K821-W875 HydrophobicContact CD-CD2 4.41Å
876	H	84.8	Confident	88.1	Confident	11 Å²	11	47.1 Å²	47.1	5%	0.051	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.7	173.2	-62.2	-72	0	0	0	110.2	F819 F820 F870 D872 Q874 D892	F819-H876 CarbonylContact C-O 3.57Å; F819-H876 WeakPolarHBondContact CA-O 3.49Å; F820-H876 HydrophobicContact CD1-CB 3.98Å; F820-H876 HydrophobicContact CE1-CB 3.51Å; F820-H876 HydrophobicContact CE2-CB 4.28Å; F820-H876 HydrophobicContact CZ-CB 3.7Å; F820-H876 PolarHBondContact N-O 3.46Å; F820-H876 PolarHBondContact O-N 3.24Å; F870-H876 WeakPolarHBondContact CA-NE2 3.25Å; F870-H876 AromaticContact CD1-CE1 3.87Å; F870-H876 AromaticContact CD1-CG 3.97Å; F870-H876 AromaticContact CD1-ND1 3.69Å; F870-H876 PolarHBondContact O-CD2 3.29Å; F870-H876 PolarHBondContact O-NE2 3.03Å; D872-H876 IonicContact OD1-CD2 2.64Å; D872-H876 IonicContact OD1-CE1 3.89Å; D872-H876 IonicContact OD1-NE2 3.79Å; D872-H876 PolarHBondContact OD1-NE2 2.87Å; D872-H876 IonicContact OD2-CE1 3.68Å; D872-H876 IonicContact OD2-NE2 3.7Å; Q874-H876 PolarHBondContact O-CD2 3.43Å; H876-D892 WeakPolarHBondContact CA-OD1 3.49Å; H876-D892 IonicContact CE1-OD2 3.84Å; H876-D892 IonicContact CG-OD2 3.68Å; H876-D892 IonicContact ND1-OD1 3.08Å; H876-D892 IonicContact ND1-OD2 3.72Å; H876-D892 PolarHBondContact ND1-OD2 2.91Å
877	H	82.4	Confident	88.1	Confident	36 Å²	36	46.7 Å²	46.7	17%	0.167	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.1	179.6	-174.2	-178.8	0	0	0	110.2	F819 R879 V891 D892	F819-H877 HydrophobicContact CD1-CB 3.76Å; F819-H877 HydrophobicContact CE1-CB 3.54Å; F819-H877 AromaticContact CE1-CG 3.57Å; F819-H877 AromaticContact CE1-ND1 3.82Å; F819-H877 HydrophobicContact CZ-CB 4.3Å; F819-H877 AromaticContact CZ-CE1 3.89Å; F819-H877 AromaticContact CZ-CG 3.82Å; F819-H877 AromaticContact CZ-ND1 3.77Å; H877-R879 VanDerWaalsContact CE1-CZ 3.42Å; H877-R879 PolarHBondContact CE1-NE 2.9Å; H877-R879 PolarHBondContact CE1-NH2 3.27Å; H877-R879 PolarHBondContact NE2-NE 3.42Å; H877-V891 CarbonylContact O-C 3.58Å; H877-V891 VanDerWaalsContact O-CA 3.3Å; H877-V891 WeakPolarHBondContact O-CA 3.29Å; H877-D892 PolarHBondContact N-OD1 2.89Å; H877-D892 PolarHBondContact O-N 2.97Å
878	V	89.1	Confident	88.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.5	174	-178.4	0	0	0	0	109.6	C817 F818 F820 I841 V849 L889 V891	C817-V878 VanDerWaalsContact CA-O 3.3Å; C817-V878 WeakPolarHBondContact CA-O 3.41Å; F818-V878 HydrophobicContact CD1-CB 4.3Å; F818-V878 HydrophobicContact CE1-CB 3.88Å; F818-V878 HydrophobicContact CE1-CG1 3.89Å; F818-V878 HydrophobicContact CE1-CG2 4.49Å; F818-V878 HydrophobicContact CE2-CB 4.17Å; F818-V878 HydrophobicContact CE2-CG2 4.03Å; F818-V878 HydrophobicContact CZ-CB 3.8Å; F818-V878 HydrophobicContact CZ-CG1 4Å; F818-V878 HydrophobicContact CZ-CG2 3.91Å; F818-V878 PolarHBondContact N-O 2.96Å; F818-V878 VanDerWaalsContact N-O 3.07Å; F818-V878 PolarHBondContact O-N 3.29Å; F820-V878 HydrophobicContact CD1-CG2 3.61Å; F820-V878 HydrophobicContact CE1-CG2 3.43Å; F820-V878 VanDerWaalsContact CE1-CG2 3.43Å; I841-V878 HydrophobicContact CG2-CG1 4.38Å; V849-V878 HydrophobicContact CG1-CG2 4.48Å; V878-L889 HydrophobicContact CG1-CD1 3.8Å; V878-V891 HydrophobicContact CG2-CG1 4.33Å; V878-V891 HydrophobicContact CG2-CG2 4.34Å
879	R	87.7	Confident	88.3	Confident	109 Å²	109	37.3 Å²	37.3	41%	0.411	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.6	169	-56.2	-177.3	-160.7	-161.1	4.4	108.9	C817 H877 L889 Q890	C817-R879 HydrophobicContact CB-CG 4.46Å; H877-R879 VanDerWaalsContact CE1-CZ 3.42Å; H877-R879 PolarHBondContact CE1-NE 2.9Å; H877-R879 PolarHBondContact CE1-NH2 3.27Å; H877-R879 PolarHBondContact NE2-NE 3.42Å; R879-L889 CarbonylContact O-C 3.53Å; R879-L889 WeakPolarHBondContact O-CA 3.19Å; R879-Q890 PolarHBondContact N-O 3.29Å; R879-Q890 PolarHBondContact O-N 2.87Å
880	A	92.3	Very high	88.4	Confident	5 Å²	5	37 Å²	37	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.9	173.2	0	0	0	0	0	109	V816 I841 F851 S888 L889	V816-A880 HydrophobicContact CB-CB 4.44Å; V816-A880 PolarHBondContact N-O 2.92Å; V816-A880 PolarHBondContact O-N 2.81Å; I841-A880 HydrophobicContact CD1-CB 3.72Å; F851-A880 HydrophobicContact CD1-CB 4.05Å; F851-A880 HydrophobicContact CD2-CB 4.38Å; F851-A880 HydrophobicContact CE1-CB 4.23Å; F851-A880 HydrophobicContact CG-CB 4.12Å; F851-A880 HydrophobicContact CZ-CB 4.47Å; A880-S888 WeakPolarHBondContact CA-O 3.18Å; A880-L889 HydrophobicContact CB-CD1 3.9Å
881	E	90.2	Very high	88.6	Confident	22 Å²	22	37 Å²	37	10%	0.103	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.5	175.1	173.5	-173.2	166.4	0	0	108	A814 D815 N883 A887 S888	A814-E881 CarbonylContact O-C 3.59Å; A814-E881 WeakPolarHBondContact O-CA 3.14Å; D815-E881 WeakPolarHBondContact OD1-CG 3.41Å; E881-N883 PolarHBondContact OE1-ND2 3.05Å; E881-A887 CarbonylContact O-C 3.48Å; E881-A887 VanDerWaalsContact O-CA 3.28Å; E881-A887 WeakPolarHBondContact O-CA 3.26Å; E881-S888 PolarHBondContact N-O 2.87Å; E881-S888 PolarHBondContact O-N 2.88Å
882	R	91.6	Very high	88.8	Confident	8 Å²	8	37.7 Å²	37.7	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.1	167.1	178	-94.2	171.4	-168.1	-5.8	109	E811 L812 T813 A814 F851 F853 A887 V907	E811-R882 PolarHBondContact O-NH1 2.8Å; L812-R882 PolarHBondContact O-NH1 2.97Å; L812-R882 VanDerWaalsContact O-NH1 3.13Å; T813-R882 CarbonylContact C-O 3.56Å; T813-R882 VanDerWaalsContact CA-O 3.23Å; T813-R882 WeakPolarHBondContact CA-O 3.21Å; A814-R882 HydrophobicContact CB-CB 4.37Å; A814-R882 PolarHBondContact N-O 2.99Å; A814-R882 PolarHBondContact O-N 2.93Å; F851-R882 HydrophobicContact CE1-CB 4Å; F851-R882 HydrophobicContact CZ-CB 3.91Å; F853-R882 HydrophobicContact CE2-CG 4.26Å; F853-R882 HydrophobicContact CZ-CG 4.26Å; R882-A887 HydrophobicContact CB-CB 4.27Å; R882-A887 HydrophobicContact CG-CB 4.31Å; R882-V907 PolarHBondContact NH1-O 2.85Å; R882-V907 PolarHBondContact NH2-O 2.94Å
883	N	90.1	Very high	88.8	Confident	12 Å²	12	43.5 Å²	43.5	6%	0.064	20%	0.202	C	C	.	.			trans	-133.8	-177	176.5	61.4	47	0	0	0	110.2	T582 L812 T813 E881 K885 G886	T582-N883 HydrophobicContact CG2-CB 4.34Å; L812-N883 CarbonylContact O-C 3.58Å; L812-N883 WeakPolarHBondContact O-CA 3.26Å; T813-N883 HydrophobicContact CG2-CB 3.69Å; E881-N883 PolarHBondContact OE1-ND2 3.05Å; N883-K885 PolarHBondContact O-N 2.8Å; N883-K885 WeakPolarHBondContact OD1-CA 3.37Å; N883-K885 WeakPolarHBondContact OD1-CB 3.34Å; N883-K885 PolarHBondContact OD1-N 3.33Å; N883-G886 PolarHBondContact N-O 3.43Å; N883-G886 PolarHBondContact O-N 3.32Å; N883-G886 PolarHBondContact OD1-N 2.71Å; N883-G886 PolarHBondContact OD1-O 2.66Å
884	V	88.5	Confident	89.4	Confident	14 Å²	14	41.6 Å²	41.6	9%	0.085	19%	0.192	C	C	.	.	S	Bend	trans	-69.5	-15.8	-178.9	-56.9	0	0	0	0	113.6	Y555 F569 T582 L812 A901 V907	Y555-V884 HydrophobicContact CD1-CG1 4.04Å; Y555-V884 HydrophobicContact CD1-CG2 4.23Å; Y555-V884 HydrophobicContact CE1-CG1 4.28Å; Y555-V884 HydrophobicContact CG-CG2 4.04Å; F569-V884 HydrophobicContact CE1-CG2 3.9Å; F569-V884 HydrophobicContact CZ-CG2 3.53Å; T582-V884 HydrophobicContact CG2-CG2 3.92Å; L812-V884 HydrophobicContact CB-CG1 4.03Å; L812-V884 HydrophobicContact CD2-CG1 3.92Å; L812-V884 PolarHBondContact O-N 2.94Å; V884-A901 WeakPolarHBondContact O-CB 3.43Å; V884-V907 HydrophobicContact CB-CG1 4.48Å; V884-V907 HydrophobicContact CG1-CB 4.18Å
885	K	88.7	Confident	89.8	Confident	39 Å²	39	40.8 Å²	40.8	17%	0.17	20%	0.197	C	C	.	.	S	Bend	trans	-96.4	-21.2	-179	-69.4	-91.2	-82.7	170.8	0	112.3	T568 F569 E581 T582 N883 A901	T568-K885 PolarHBondContact OG1-NZ 3.16Å; F569-K885 HydrophobicContact CD1-CD 4.23Å; F569-K885 HydrophobicContact CE1-CD 3.76Å; F569-K885 HydrophobicContact CE1-CG 3.99Å; F569-K885 HydrophobicContact CE2-CD 4.35Å; F569-K885 HydrophobicContact CE2-CG 4.35Å; F569-K885 HydrophobicContact CZ-CD 3.82Å; F569-K885 HydrophobicContact CZ-CG 3.67Å; F569-K885 WeakPolarHBondContact O-CE 3.43Å; F569-K885 PolarHBondContact O-NZ 2.95Å; E581-K885 HydrophobicContact CB-CB 3.97Å; E581-K885 HydrophobicContact CB-CG 4.21Å; E581-K885 HydrophobicContact CG-CB 4.42Å; E581-K885 WeakPolarHBondContact OE2-CE 3.22Å; E581-K885 IonicContact OE2-NZ 3.29Å; T582-K885 HydrophobicContact CG2-CG 4.23Å; N883-K885 PolarHBondContact O-N 2.8Å; N883-K885 WeakPolarHBondContact OD1-CA 3.37Å; N883-K885 WeakPolarHBondContact OD1-CB 3.34Å; N883-K885 PolarHBondContact OD1-N 3.33Å; K885-A901 PolarHBondContact O-N 2.88Å
886	G	89.9	Confident	90.6	Very high	10 Å²	10	38.7 Å²	38.7	10%	0.103	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-164.1	176.8	0	0	0	0	0	113.7	N883 Q899	N883-G886 PolarHBondContact N-O 3.43Å; N883-G886 PolarHBondContact O-N 3.32Å; N883-G886 PolarHBondContact OD1-N 2.71Å; N883-G886 PolarHBondContact OD1-O 2.66Å; G886-Q899 CarbonylContact C-O 3.57Å; G886-Q899 WeakPolarHBondContact CA-O 3.45Å
887	A	92.8	Very high	91.1	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.5	175	0	0	0	0	0	110.8	F851 F853 V862 E881 R882 M898 Q899	F851-A887 HydrophobicContact CD1-CB 4.29Å; F851-A887 HydrophobicContact CE1-CB 3.89Å; F853-A887 HydrophobicContact CD1-CB 4.37Å; F853-A887 HydrophobicContact CE1-CB 3.28Å; F853-A887 HydrophobicContact CZ-CB 3.54Å; V862-A887 HydrophobicContact CG2-CB 4Å; E881-A887 CarbonylContact O-C 3.48Å; E881-A887 VanDerWaalsContact O-CA 3.28Å; E881-A887 WeakPolarHBondContact O-CA 3.26Å; R882-A887 HydrophobicContact CB-CB 4.27Å; R882-A887 HydrophobicContact CG-CB 4.31Å; A887-M898 CarbonylContact O-C 3.45Å; A887-M898 VanDerWaalsContact O-CA 3.31Å; A887-M898 WeakPolarHBondContact O-CA 3.41Å; A887-Q899 PolarHBondContact N-O 2.82Å; A887-Q899 PolarHBondContact O-N 3.44Å
888	S	93.5	Very high	91.5	Very high	7 Å²	7	47.6 Å²	47.6	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151	178.7	84.1	0	0	0	0	112.1	A880 E881 Q896 K897	A880-S888 WeakPolarHBondContact CA-O 3.18Å; E881-S888 PolarHBondContact N-O 2.87Å; E881-S888 PolarHBondContact O-N 2.88Å; S888-Q896 PolarHBondContact OG-NE2 2.03Å; S888-K897 CarbonylContact C-O 3.6Å; S888-K897 WeakPolarHBondContact CA-O 3.3Å
889	L	95.8	Very high	91.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	131.8	175.4	-179.4	65.9	0	0	0	109.6	V849 F851 V862 V864 V878 R879 A880 K897	V849-L889 HydrophobicContact CG1-CD2 4.25Å; V849-L889 VanDerWaalsContact O-CD2 3.31Å; V849-L889 WeakPolarHBondContact O-CD2 3.2Å; F851-L889 HydrophobicContact CB-CB 4.35Å; F851-L889 HydrophobicContact CB-CD1 4.21Å; F851-L889 HydrophobicContact CB-CD2 4.02Å; F851-L889 HydrophobicContact CB-CG 4.43Å; V862-L889 HydrophobicContact CB-CB 4.24Å; V862-L889 HydrophobicContact CG1-CB 3.78Å; V862-L889 WeakPolarHBondContact O-CD2 3.37Å; V864-L889 HydrophobicContact CB-CD2 4.29Å; V864-L889 HydrophobicContact CG2-CB 4.11Å; V864-L889 HydrophobicContact CG2-CD2 3.89Å; V864-L889 HydrophobicContact CG2-CG 3.75Å; V864-L889 WeakPolarHBondContact CG2-O 3.24Å; V878-L889 HydrophobicContact CG1-CD1 3.8Å; R879-L889 CarbonylContact O-C 3.53Å; R879-L889 WeakPolarHBondContact O-CA 3.19Å; A880-L889 HydrophobicContact CB-CD1 3.9Å; L889-K897 PolarHBondContact N-O 3.41Å; L889-K897 PolarHBondContact O-N 2.93Å
890	Q	94.4	Very high	91.8	Very high	53 Å²	53	50.9 Å²	50.9	25%	0.248	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.7	172	-177.4	171.3	43.2	0	0	109.5	R879 L894 Q896	R879-Q890 PolarHBondContact N-O 3.29Å; R879-Q890 PolarHBondContact O-N 2.87Å; Q890-L894 PolarHBondContact NE2-O 3.48Å; Q890-L894 VanDerWaalsContact NE2-O 3.11Å; Q890-Q896 HydrophobicContact CB-CB 4.36Å; Q890-Q896 HydrophobicContact CB-CG 4.38Å
891	V	94.9	Very high	91.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.9	172	-170.9	0	0	0	0	108.3	V849 V864 F870 H877 V878 Q893 L894	V849-V891 HydrophobicContact CB-CG2 3.86Å; V849-V891 HydrophobicContact CG1-CG2 4.11Å; V849-V891 HydrophobicContact CG2-CG2 4.1Å; V864-V891 HydrophobicContact CB-CG2 4.02Å; V864-V891 HydrophobicContact CG1-CB 4.13Å; V864-V891 HydrophobicContact CG1-CG2 4.05Å; V864-V891 HydrophobicContact CG2-CG2 4.4Å; F870-V891 HydrophobicContact CD1-CG1 4.07Å; F870-V891 HydrophobicContact CE1-CB 4.16Å; F870-V891 HydrophobicContact CE1-CG1 3.41Å; F870-V891 VanDerWaalsContact CE1-CG1 3.41Å; F870-V891 HydrophobicContact CE2-CG1 4.47Å; F870-V891 HydrophobicContact CZ-CB 3.92Å; F870-V891 HydrophobicContact CZ-CG1 3.61Å; F870-V891 HydrophobicContact CZ-CG2 4.48Å; H877-V891 CarbonylContact O-C 3.58Å; H877-V891 VanDerWaalsContact O-CA 3.3Å; H877-V891 WeakPolarHBondContact O-CA 3.29Å; V878-V891 HydrophobicContact CG2-CG1 4.33Å; V878-V891 HydrophobicContact CG2-CG2 4.34Å; V891-Q893 PolarHBondContact O-N 3.23Å; V891-L894 VanDerWaalsContact O-CB 3.24Å; V891-L894 WeakPolarHBondContact O-CB 3.36Å; V891-L894 WeakPolarHBondContact O-CG 3.39Å; V891-L894 PolarHBondContact O-N 3.22Å; V891-L894 VanDerWaalsContact O-N 3.07Å
892	D	90.3	Very high	91.1	Very high	54 Å²	54	55 Å²	55	29%	0.289	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-129.3	-173.7	-58	-36.6	0	0	0	112.2	H876 H877	H876-D892 WeakPolarHBondContact CA-OD1 3.49Å; H876-D892 IonicContact CE1-OD2 3.84Å; H876-D892 IonicContact CG-OD2 3.68Å; H876-D892 IonicContact ND1-OD1 3.08Å; H876-D892 IonicContact ND1-OD2 3.72Å; H876-D892 PolarHBondContact ND1-OD2 2.91Å; H877-D892 PolarHBondContact N-OD1 2.89Å; H877-D892 PolarHBondContact O-N 2.97Å
893	Q	88.2	Confident	90.2	Very high	193 Å²	193	57.5 Å²	57.5	90%	0.902	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	15	176.1	-60.8	-176.7	6	0	0	112.2	V891	V891-Q893 PolarHBondContact O-N 3.23Å
894	L	92.4	Very high	89.3	Confident	38 Å²	38	60.1 Å²	60.1	20%	0.199	33%	0.331	C	S	.	.	S	Bend	trans	-68.6	154.2	176.9	-61.3	168	0	0	0	110.3	V864 F870 Q890 V891 Q896	V864-L894 HydrophobicContact CG1-CB 4.28Å; V864-L894 HydrophobicContact CG1-CD1 3.87Å; F870-L894 HydrophobicContact CE1-CD1 4.03Å; F870-L894 HydrophobicContact CZ-CD1 3.68Å; Q890-L894 PolarHBondContact NE2-O 3.48Å; Q890-L894 VanDerWaalsContact NE2-O 3.11Å; V891-L894 VanDerWaalsContact O-CB 3.24Å; V891-L894 WeakPolarHBondContact O-CB 3.36Å; V891-L894 WeakPolarHBondContact O-CG 3.39Å; V891-L894 PolarHBondContact O-N 3.22Å; V891-L894 VanDerWaalsContact O-N 3.07Å; L894-Q896 PolarHBondContact O-N 3.36Å
895	P	93.6	Very high	88.4	Confident	101 Å²	101	59.8 Å²	59.8	66%	0.656	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-57.6	128.8	176.8	-23.8	33.8	0	0	0	111.4	K897	P895-K897 PolarHBondContact O-N 2.83Å
896	Q	91.6	Very high	87.8	Confident	96 Å²	96	58.9 Å²	58.9	45%	0.449	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-58.4	134.2	175.7	-174	-178.7	20.4	0	0	110.4	S888 Q890 L894 M898	S888-Q896 PolarHBondContact OG-NE2 2.03Å; Q890-Q896 HydrophobicContact CB-CB 4.36Å; Q890-Q896 HydrophobicContact CB-CG 4.38Å; L894-Q896 PolarHBondContact O-N 3.36Å; Q896-M898 HydrophobicContact CG-CG 4.34Å
897	K	95.6	Very high	87.4	Confident	109 Å²	109	59.7 Å²	59.7	47%	0.474	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.8	172.9	-66.6	-65.8	-175	-179.2	0	109	V862 V864 S888 L889 P895	V862-K897 HydrophobicContact CG1-CB 3.74Å; V864-K897 HydrophobicContact CG2-CB 4.17Å; V864-K897 HydrophobicContact CG2-CG 3.86Å; S888-K897 CarbonylContact C-O 3.6Å; S888-K897 WeakPolarHBondContact CA-O 3.3Å; L889-K897 PolarHBondContact N-O 3.41Å; L889-K897 PolarHBondContact O-N 2.93Å; P895-K897 PolarHBondContact O-N 2.83Å
898	M	91.3	Very high	87	Confident	126 Å²	126	64.2 Å²	64.2	62%	0.621	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.2	-180	-59.8	-147.5	-59.6	0	0	111.3	A887 Q896	A887-M898 CarbonylContact O-C 3.45Å; A887-M898 VanDerWaalsContact O-CA 3.31Å; A887-M898 WeakPolarHBondContact O-CA 3.41Å; Q896-M898 HydrophobicContact CG-CG 4.34Å
899	Q	91.9	Very high	86.6	Confident	85 Å²	85	64.1 Å²	64.1	40%	0.397	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.7	175.3	179.4	56.6	54.1	0	0	108.8	C860 V862 G886 A887	C860-Q899 WeakPolarHBondContact SG-CG 3.39Å; V862-Q899 HydrophobicContact CG2-CB 3.64Å; G886-Q899 CarbonylContact C-O 3.57Å; G886-Q899 WeakPolarHBondContact CA-O 3.45Å; A887-Q899 PolarHBondContact N-O 2.82Å; A887-Q899 PolarHBondContact O-N 3.44Å
900	P	89.8	Confident	86	Confident	92 Å²	92	68.2 Å²	68.2	60%	0.597	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	146	-179.5	28	-35	0	0	0	111.6
901	A	86	Confident	85.3	Confident	42 Å²	42	66.9 Å²	66.9	35%	0.347	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-77.3	150.5	171.2	0	0	0	0	0	110.8	V884 K885	V884-A901 WeakPolarHBondContact O-CB 3.43Å; K885-A901 PolarHBondContact O-N 2.88Å
902	P	81.9	Confident	84.4	Confident	73 Å²	73	71.7 Å²	71.7	47%	0.474	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-58.8	139.2	170.2	-21.3	32.7	0	0	0	111.5	D904	P902-D904 VanDerWaalsContact C-N 3.25Å; P902-D904 PolarHBondContact O-N 3.48Å
903	A	72.9	Confident	83.5	Confident	60 Å²	60	70.4 Å²	70.4	50%	0.496	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.8	-178.6	0	0	0	0	0	114.2	D567	D567-A903 VanDerWaalsContact O-CB 3.22Å; D567-A903 WeakPolarHBondContact O-CB 3.27Å
904	D	71.1	Confident	82.7	Confident	67 Å²	67	65.7 Å²	65.7	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	53.2	-173.6	-62.7	-42	0	0	0	111.3	I129 W130 R550 P902	I129-D904 HydrophobicContact CB-CB 4.27Å; I129-D904 HydrophobicContact CD1-CB 3.82Å; I129-D904 HydrophobicContact CG1-CB 4.13Å; W130-D904 VanDerWaalsContact CD1-O 3.31Å; W130-D904 PolarHBondContact NE1-O 2.94Å; R550-D904 IonicContact CZ-OD1 3.02Å; R550-D904 IonicContact NH2-OD1 3.29Å; R550-D904 PolarHBondContact NH2-OD1 2.88Å; P902-D904 VanDerWaalsContact C-N 3.25Å; P902-D904 PolarHBondContact O-N 3.48Å
905	G	70.2	Confident	81.5	Confident	7 Å²	7	65 Å²	65	7%	0.072	35%	0.353	C	S	.	.	S	Bend	trans	-115.7	177.8	-178.3	0	0	0	0	0	114.4	N857	N857-G905 WeakPolarHBondContact OD1-CA 3.5Å
906	H	75.9	Confident	80.2	Confident	19 Å²	19	61.4 Å²	61.4	9%	0.088	33%	0.327	C	S	.	.			trans	-63.6	133.3	166.2	-72.7	-77.6	0	0	0	110.5	R125 S128 V855 N857	R125-H906 PolarHBondContact NH2-CE1 3.06Å; R125-H906 VanDerWaalsContact NH2-CE1 3.34Å; R125-H906 PolarHBondContact NH2-NE2 2.84Å; S128-H906 WeakPolarHBondContact CB-CE1 3.25Å; S128-H906 PolarHBondContact OG-NE2 3.4Å; V855-H906 HydrophobicContact CG2-CB 4.44Å; V855-H906 VanDerWaalsContact CG2-O 3.31Å; V855-H906 WeakPolarHBondContact CG2-O 3.49Å; V855-H906 WeakPolarHBondContact O-CB 3.26Å; N857-H906 PolarHBondContact ND2-N 3.39Å; N857-H906 PolarHBondContact ND2-O 2.98Å; N857-H906 PolarHBondContact OD1-N 3.47Å
907	V	81.2	Confident	79	Confident	28 Å²	28	58.9 Å²	58.9	17%	0.17	32%	0.316	C	S	.	.			trans	-114.6	-11.9	-177.1	-61.9	0	0	0	0	113.6	L812 R882 V884	L812-V907 HydrophobicContact CD2-CB 4.47Å; L812-V907 HydrophobicContact CD2-CG2 4Å; R882-V907 PolarHBondContact NH1-O 2.85Å; R882-V907 PolarHBondContact NH2-O 2.94Å; V884-V907 HydrophobicContact CB-CG1 4.48Å; V884-V907 HydrophobicContact CG1-CB 4.18Å
908	R	84.4	Confident	77.2	Confident	99 Å²	99	56 Å²	56	37%	0.374	31%	0.305	S	S	.	.			trans	-98.7	127.8	-178.6	-63.4	-170.9	-173	-160.6	4	110.9	E811 L812	E811-R908 CarbonylContact O-C 3.58Å; E811-R908 VanDerWaalsContact O-CA 3.28Å; E811-R908 WeakPolarHBondContact O-CA 3.38Å; E811-R908 IonicContact OE2-NH1 3.11Å; L812-R908 HydrophobicContact CD2-CG 3.9Å
909	L	85.4	Confident	75.1	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	29%	0.288	C	S	.	.			trans	-90.7	105.4	172.8	-179.5	68	0	0	0	109.3	E811 D837 I839 V855 L911	E811-L909 PolarHBondContact O-N 3.36Å; D837-L909 HydrophobicContact CB-CD1 4.16Å; I839-L909 HydrophobicContact CB-CD2 4.2Å; I839-L909 HydrophobicContact CD1-CD2 4.11Å; I839-L909 HydrophobicContact CG2-CD2 4.42Å; V855-L909 HydrophobicContact CG1-CB 3.92Å; V855-L909 HydrophobicContact CG1-CD1 3.68Å; V855-L909 HydrophobicContact CG1-CG 4.39Å; L909-L911 HydrophobicContact CD1-CD2 4.13Å; L909-L911 HydrophobicContact CD1-CG 4.38Å; L909-L911 HydrophobicContact CD2-CD1 3.87Å; L909-L911 HydrophobicContact CD2-CG 4.32Å; L909-L911 HydrophobicContact CG-CD1 4.05Å; L909-L911 HydrophobicContact CG-CD2 4.24Å; L909-L911 HydrophobicContact CG-CG 3.94Å
910	Q	83.5	Confident	73.1	Confident	87 Å²	87	48.6 Å²	48.6	41%	0.407	27%	0.27	S	S	.	.			trans	-100.6	97	-176.9	-69.3	-178.2	-8.1	0	0	111.6	E126 G834 D837	E126-Q910 PolarHBondContact OE1-NE2 2.93Å; G834-Q910 WeakPolarHBondContact CA-O 3.25Å; D837-Q910 PolarHBondContact OD2-N 3.33Å
911	L	80.2	Confident	71.4	Confident	25 Å²	25	44.3 Å²	44.3	13%	0.131	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-100.8	134.8	-179.6	-59.4	170.5	0	0	0	110.5	F808 N832 I839 L909	F808-L911 HydrophobicContact CB-CD1 4.08Å; F808-L911 HydrophobicContact CD1-CD1 3.87Å; F808-L911 HydrophobicContact CG-CD1 4.5Å; N832-L911 HydrophobicContact CB-CD1 3.92Å; N832-L911 HydrophobicContact CB-CD2 4.28Å; I839-L911 HydrophobicContact CG2-CD1 3.74Å; I839-L911 HydrophobicContact CG2-CD2 4.32Å; L909-L911 HydrophobicContact CD1-CD2 4.13Å; L909-L911 HydrophobicContact CD1-CG 4.38Å; L909-L911 HydrophobicContact CD2-CD1 3.87Å; L909-L911 HydrophobicContact CD2-CG 4.32Å; L909-L911 HydrophobicContact CG-CD1 4.05Å; L909-L911 HydrophobicContact CG-CD2 4.24Å; L909-L911 HydrophobicContact CG-CG 3.94Å
912	N	75.3	Confident	70.7	Confident	101 Å²	101	44.9 Å²	44.9	54%	0.54	24%	0.236	S	C	.	.			trans	-125.8	-12.4	-177.3	66.5	2.1	0	0	0	113.8	L833 G834 I835	L833-N912 PolarHBondContact O-N 2.83Å; L833-N912 PolarHBondContact O-OD1 3.01Å; G834-N912 WeakPolarHBondContact CA-OD1 3.17Å; I835-N912 VanDerWaalsContact CG1-ND2 3.3Å; I835-N912 WeakPolarHBondContact CG1-ND2 3.47Å
913	S	71.7	Confident	70.3	Confident	27 Å²	27	41.4 Å²	41.4	19%	0.189	21%	0.213	C	C	.	.	S	Bend	trans	-90.9	162.8	175.1	65.7	0	0	0	0	111.6	A807 N832 L833	A807-S913 WeakPolarHBondContact CA-O 3.41Å; A807-S913 VanDerWaalsContact CB-O 3.24Å; A807-S913 WeakPolarHBondContact CB-O 3.41Å; N832-S913 PolarHBondContact ND2-O 3.33Å; N832-S913 PolarHBondContact ND2-OG 2.85Å; L833-S913 VanDerWaalsContact CA-OG 3.29Å; L833-S913 WeakPolarHBondContact CA-OG 3.22Å; L833-S913 WeakPolarHBondContact CB-OG 3.5Å; L833-S913 PolarHBondContact N-OG 2.91Å; L833-S913 WeakPolarHBondContact O-CB 3.27Å; L833-S913 PolarHBondContact O-N 2.77Å; L833-S913 PolarHBondContact O-OG 2.84Å
914	Q	70.5	Confident	70.3	Confident	94 Å²	94	39.5 Å²	39.5	44%	0.439	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-60.9	146.3	168.9	-71.9	176.1	-30.7	0	0	110.5	F805 F916	F805-Q914 WeakPolarHBondContact O-CA 3.31Å; F805-Q914 VanDerWaalsContact O-CB 3.25Å; F805-Q914 WeakPolarHBondContact O-CB 3.33Å; Q914-F916 HydrophobicContact CB-CE2 4.02Å; Q914-F916 HydrophobicContact CB-CZ 4Å; Q914-F916 WeakPolarHBondContact O-CD2 3.33Å; Q914-F916 WeakPolarHBondContact O-CE2 3.43Å
915	L	68.4	Low	70.6	Confident	22 Å²	22	41 Å²	41	12%	0.115	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.9	170.8	172.7	63.3	0	0	0	109.2	H804 F805 F808 M830 N832	H804-L915 CarbonylContact C-O 3.53Å; H804-L915 WeakPolarHBondContact CA-O 3.49Å; F805-L915 HydrophobicContact CB-CB 4.16Å; F805-L915 HydrophobicContact CB-CD2 4.35Å; F805-L915 PolarHBondContact N-O 3.44Å; F805-L915 PolarHBondContact O-N 2.68Å; F805-L915 VanDerWaalsContact O-N 3.08Å; F808-L915 HydrophobicContact CB-CD2 4.49Å; M830-L915 HydrophobicContact CE-CD1 3.3Å; M830-L915 HydrophobicContact CE-CD2 3.94Å; M830-L915 HydrophobicContact CE-CG 4.26Å; M830-L915 HydrophobicContact CG-CD1 3.54Å; M830-L915 HydrophobicContact SD-CD1 4.21Å; N832-L915 HydrophobicContact CB-CD1 3.99Å
916	F	64.4	Low	70.8	Confident	26 Å²	26	42.4 Å²	42.4	11%	0.114	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.3	-180	-66.5	-81.6	0	0	0	112.5	Y802 H804 M830 E831 Q914 I919	Y802-F916 HydrophobicContact CD2-CD1 4.07Å; Y802-F916 HydrophobicContact CD2-CE1 4.45Å; Y802-F916 HydrophobicContact CE2-CD1 4.38Å; Y802-F916 HydrophobicContact CE2-CE1 4.31Å; H804-F916 HydrophobicContact CB-CD1 3.95Å; H804-F916 HydrophobicContact CB-CE1 3.99Å; M830-F916 WeakPolarHBondContact CA-O 3.34Å; E831-F916 PolarHBondContact N-O 2.95Å; E831-F916 PolarHBondContact O-N 3.41Å; Q914-F916 HydrophobicContact CB-CE2 4.02Å; Q914-F916 HydrophobicContact CB-CZ 4Å; Q914-F916 WeakPolarHBondContact O-CD2 3.33Å; Q914-F916 WeakPolarHBondContact O-CE2 3.43Å; F916-I919 HydrophobicContact CD1-CD1 3.67Å; F916-I919 HydrophobicContact CD1-CG1 4.43Å; F916-I919 HydrophobicContact CE1-CD1 4.06Å; F916-I919 HydrophobicContact CG-CD1 4.17Å
917	I	67.6	Low	71	Confident	43 Å²	43	41.6 Å²	41.6	22%	0.221	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	96.2	171.8	-64.1	176.4	0	0	0	106.6	F796 Y802 L803 F805 F829	F796-I917 HydrophobicContact CE1-CG2 4.2Å; F796-I917 HydrophobicContact CE2-CG2 4.03Å; F796-I917 HydrophobicContact CZ-CG2 3.53Å; Y802-I917 CarbonylContact C-O 3.56Å; Y802-I917 WeakPolarHBondContact CA-O 3.23Å; Y802-I917 WeakPolarHBondContact CB-O 3.29Å; L803-I917 HydrophobicContact CB-CB 4.31Å; L803-I917 PolarHBondContact N-O 3.1Å; L803-I917 PolarHBondContact O-N 2.87Å; F805-I917 HydrophobicContact CD2-CD1 4.39Å; F805-I917 HydrophobicContact CE2-CD1 3.92Å; F829-I917 WeakPolarHBondContact O-CG2 3.17Å
918	E	57.9	Low	71.1	Confident	48 Å²	48	40.7 Å²	40.7	22%	0.224	22%	0.216	C	C	.	.			trans	57.1	112.1	176.1	-66.3	-157.8	155.8	0	0	127.1	T800 S801 Y802 V828	T800-E918 CarbonylContact C-O 3.5Å; S801-E918 CarbonylContact C-O 3.58Å; S801-E918 PolarHBondContact N-O 2.94Å; Y802-E918 WeakPolarHBondContact CA-O 3.1Å; Y802-E918 VanDerWaalsContact CB-C 3.49Å; Y802-E918 WeakPolarHBondContact CB-O 3.49Å; Y802-E918 PolarHBondContact N-O 2.78Å; V828-E918 PolarHBondContact N-OE1 3.31Å; V828-E918 WeakPolarHBondContact O-CG 3.38Å
919	I	47.5	Very low	71	Confident	52 Å²	52	36 Å²	36	27%	0.267	20%	0.198	S	C	.	.			trans	-126.1	145.5	-172.3	-50.3	169.8	0	0	0	117.8	T800 Y802 F916	T800-I919 VanDerWaalsContact CA-C 3.48Å; T800-I919 CarbonylContact O-C 3.41Å; Y802-I919 HydrophobicContact CD1-CB 3.98Å; Y802-I919 HydrophobicContact CD1-CG1 3.56Å; Y802-I919 HydrophobicContact CD1-CG2 3.9Å; Y802-I919 HydrophobicContact CD2-CG1 4.18Å; Y802-I919 HydrophobicContact CE1-CB 4.49Å; Y802-I919 HydrophobicContact CE1-CG1 4.15Å; Y802-I919 HydrophobicContact CE1-CG2 3.93Å; Y802-I919 HydrophobicContact CG-CB 4.45Å; Y802-I919 HydrophobicContact CG-CD1 4.44Å; Y802-I919 HydrophobicContact CG-CG1 3.58Å; F916-I919 HydrophobicContact CD1-CD1 3.67Å; F916-I919 HydrophobicContact CD1-CG1 4.43Å; F916-I919 HydrophobicContact CE1-CD1 4.06Å; F916-I919 HydrophobicContact CG-CD1 4.17Å
920	S	48.6	Very low	71	Confident	5 Å²	5	36.8 Å²	36.8	4%	0.035	20%	0.203	C	C	.	.			trans	-169.3	175.9	163.7	137.1	0	0	0	0	114.3	T800 L1087 S1088	T800-S920 VanDerWaalsContact CA-CB 3.48Å; T800-S920 VanDerWaalsContact CB-C 3.44Å; T800-S920 WeakPolarHBondContact CB-O 3.24Å; T800-S920 WeakPolarHBondContact CB-OG 3.33Å; T800-S920 WeakPolarHBondContact CG2-OG 3.46Å; T800-S920 PolarHBondContact O-N 2.87Å; T800-S920 VanDerWaalsContact O-N 3.09Å; S920-L1087 PolarHBondContact OG-O 3.38Å; S920-S1088 WeakPolarHBondContact OG-CB 3.26Å
921	A	54.3	Low	70.9	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.3	-169.4	0	0	0	0	0	116.9	F923 L1087 L1098 L1102	A921-F923 HydrophobicContact CB-CE2 4.39Å; A921-L1087 PolarHBondContact N-O 3.28Å; A921-L1087 VanDerWaalsContact N-O 3.15Å; A921-L1087 PolarHBondContact O-N 3.08Å; A921-L1098 HydrophobicContact CB-CD1 4.43Å; A921-L1098 HydrophobicContact CB-CD2 4.12Å; A921-L1102 HydrophobicContact CB-CD1 4.01Å
922	Y	71.7	Confident	70.9	Confident	54 Å²	54	34.6 Å²	34.6	21%	0.212	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.6	173	176.1	-97.9	0	0	0	112.8	A924 G1085 V1116 A1117 M1119	Y922-A924 HydrophobicContact CE1-CB 4.11Å; Y922-G1085 WeakPolarHBondContact CD2-O 3.46Å; Y922-V1116 WeakPolarHBondContact O-CA 3.35Å; Y922-A1117 PolarHBondContact N-O 3.07Å; Y922-A1117 PolarHBondContact O-N 2.82Å; Y922-M1119 HydrophobicContact CD1-SD 4.17Å; Y922-M1119 HydrophobicContact CG-CB 4.39Å
923	F	74	Confident	70.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.5	176.6	-75.4	-109.3	0	0	0	111	A921 M929 L1062 F1083 T1084 G1085 L1087 L1098 V1116	A921-F923 HydrophobicContact CB-CE2 4.39Å; F923-M929 HydrophobicContact CE1-CB 3.92Å; F923-M929 HydrophobicContact CZ-CB 4.26Å; F923-L1062 HydrophobicContact CE1-CB 3.91Å; F923-L1062 HydrophobicContact CZ-CB 3.9Å; F923-L1062 HydrophobicContact CZ-CD1 4.2Å; F923-F1083 HydrophobicContact CB-CD1 3.83Å; F923-F1083 HydrophobicContact CB-CE1 4.36Å; F923-F1083 HydrophobicContact CD2-CD1 4.41Å; F923-F1083 HydrophobicContact CG-CD1 4.14Å; F923-T1084 WeakPolarHBondContact O-CA 3.43Å; F923-G1085 PolarHBondContact N-O 3.48Å; F923-G1085 PolarHBondContact O-N 2.77Å; F923-G1085 VanDerWaalsContact O-N 3.13Å; F923-L1087 HydrophobicContact CD2-CB 4.11Å; F923-L1087 HydrophobicContact CD2-CD1 4.04Å; F923-L1087 HydrophobicContact CD2-CG 4.49Å; F923-L1087 HydrophobicContact CE2-CB 3.89Å; F923-L1087 HydrophobicContact CE2-CD1 3.91Å; F923-L1087 HydrophobicContact CE2-CG 4.48Å; F923-L1087 HydrophobicContact CZ-CD1 4.25Å; F923-L1098 HydrophobicContact CE2-CD2 3.62Å; F923-L1098 HydrophobicContact CZ-CD2 3.63Å; F923-V1116 HydrophobicContact CD1-CG2 3.91Å; F923-V1116 HydrophobicContact CE1-CG1 4.45Å; F923-V1116 HydrophobicContact CE1-CG2 3.93Å; F923-V1116 HydrophobicContact CE2-CG1 4.22Å; F923-V1116 HydrophobicContact CG-CG2 4.46Å; F923-V1116 HydrophobicContact CZ-CG1 4.19Å; F923-V1116 HydrophobicContact CZ-CG2 4.47Å
924	A	73.3	Confident	70.6	Confident	20 Å²	20	33.2 Å²	33.2	17%	0.165	18%	0.177	C	C	.	.			trans	-75.8	164.9	171.4	0	0	0	0	0	112.5	Y922 G926 S927 H1115	Y922-A924 HydrophobicContact CE1-CB 4.11Å; A924-G926 PolarHBondContact O-N 3.04Å; A924-S927 VanDerWaalsContact O-CB 3.22Å; A924-S927 WeakPolarHBondContact O-CB 3.44Å; A924-S927 PolarHBondContact O-N 2.91Å; A924-S927 PolarHBondContact O-OG 3.19Å; A924-S927 VanDerWaalsContact O-OG 3.13Å; A924-H1115 HydrophobicContact CB-CB 4.01Å; A924-H1115 WeakPolarHBondContact CB-O 3.41Å; A924-H1115 PolarHBondContact N-O 3.22Å; A924-H1115 VanDerWaalsContact N-O 3.16Å
925	T	76.3	Confident	69.5	Low	99 Å²	99	34.1 Å²	34.1	61%	0.607	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	129.5	177.7	-56.1	0	0	0	0	111.4	S927 T1084	T925-S927 VanDerWaalsContact C-N 3.29Å; T925-T1084 VanDerWaalsContact CA-OG1 3.31Å; T925-T1084 WeakPolarHBondContact CA-OG1 3.36Å; T925-T1084 WeakPolarHBondContact OG1-CG2 3.41Å; T925-T1084 PolarHBondContact OG1-OG1 2.84Å; T925-T1084 VanDerWaalsContact OG1-OG1 3.13Å
926	G	74.1	Confident	68.2	Low	37 Å²	37	38.9 Å²	38.9	38%	0.381	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-1.4	-177.3	0	0	0	0	0	114.8	A924	A924-G926 PolarHBondContact O-N 3.04Å
927	S	80.9	Confident	66.7	Low	1 Å²	1	48 Å²	48	1%	0.007	24%	0.238	C	C	.	.			trans	-71.2	141.1	175.2	-61.7	0	0	0	0	111.8	A924 T925 G1063 K1064 R1113 H1115	A924-S927 VanDerWaalsContact O-CB 3.22Å; A924-S927 WeakPolarHBondContact O-CB 3.44Å; A924-S927 PolarHBondContact O-N 2.91Å; A924-S927 PolarHBondContact O-OG 3.19Å; A924-S927 VanDerWaalsContact O-OG 3.13Å; T925-S927 VanDerWaalsContact C-N 3.29Å; S927-G1063 WeakPolarHBondContact O-CA 3.34Å; S927-K1064 PolarHBondContact O-N 3Å; S927-R1113 CarbonylContact C-O 3.45Å; S927-R1113 WeakPolarHBondContact CA-O 3.5Å; S927-H1115 VanDerWaalsContact OG-C 3.23Å; S927-H1115 PolarHBondContact OG-N 3.11Å; S927-H1115 PolarHBondContact OG-O 2.87Å
928	S	83.5	Confident	64.9	Low	10 Å²	10	52.7 Å²	52.7	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.3	177.9	176.6	0	0	0	0	108.7	L1062 K1064 R1113	S928-L1062 WeakPolarHBondContact CA-O 3.28Å; S928-K1064 WeakPolarHBondContact CB-O 3.42Å; S928-K1064 PolarHBondContact OG-O 3.36Å; S928-R1113 PolarHBondContact N-O 2.89Å; S928-R1113 PolarHBondContact O-N 2.92Å; S928-R1113 VanDerWaalsContact O-O 3.1Å
929	M	83.1	Confident	63.7	Low	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.1	172.4	173.6	-84.3	-143.5	0	0	108.2	F923 I1061 L1062 P1097 L1098 A1101 V1110 T1111 V1112	F923-M929 HydrophobicContact CE1-CB 3.92Å; F923-M929 HydrophobicContact CZ-CB 4.26Å; M929-I1061 CarbonylContact O-C 3.49Å; M929-I1061 VanDerWaalsContact O-CA 3.3Å; M929-I1061 WeakPolarHBondContact O-CA 3.32Å; M929-L1062 HydrophobicContact CB-CB 4.45Å; M929-L1062 HydrophobicContact CE-CD1 3.98Å; M929-L1062 PolarHBondContact N-O 3.38Å; M929-L1062 PolarHBondContact O-N 2.72Å; M929-L1062 HydrophobicContact SD-CB 4.28Å; M929-L1062 HydrophobicContact SD-CD1 3.88Å; M929-L1062 HydrophobicContact SD-CG 4.06Å; M929-P1097 HydrophobicContact CE-CB 3.25Å; M929-P1097 WeakPolarHBondContact CE-O 3.37Å; M929-P1097 HydrophobicContact SD-CB 4.18Å; M929-L1098 HydrophobicContact CE-CD2 4.3Å; M929-A1101 HydrophobicContact CE-CB 3.83Å; M929-A1101 HydrophobicContact CG-CB 4.13Å; M929-V1110 HydrophobicContact CE-CG1 4.14Å; M929-V1110 HydrophobicContact CG-CG1 3.85Å; M929-V1110 HydrophobicContact SD-CG1 4.25Å; M929-T1111 WeakPolarHBondContact CA-O 3.38Å; M929-V1112 HydrophobicContact CG-CG2 4.15Å
930	T	83.9	Confident	62.9	Low	21 Å²	21	60.5 Å²	60.5	13%	0.129	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.8	-178.4	-56.4	0	0	0	0	108.9	H932 L1060 I1061 V1110 T1111	T930-H932 VanDerWaalsContact CG2-CE1 3.44Å; T930-H932 WeakPolarHBondContact CG2-CE1 3.34Å; T930-L1060 CarbonylContact C-O 3.56Å; T930-L1060 WeakPolarHBondContact CA-O 3.38Å; T930-I1061 HydrophobicContact CG2-CG1 4.01Å; T930-V1110 CarbonylContact O-C 3.59Å; T930-V1110 VanDerWaalsContact O-CA 3.28Å; T930-V1110 WeakPolarHBondContact O-CA 3.45Å; T930-T1111 PolarHBondContact N-O 2.87Å; T930-T1111 PolarHBondContact O-N 2.91Å
931	Y	81.1	Confident	62.3	Low	38 Å²	38	69.1 Å²	69.1	15%	0.149	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119	168.2	-177.3	-85.3	0	0	0	109.1	F933 S1059 L1060 A1095 P1097 A1100 V1110	Y931-F933 HydrophobicContact CD1-CD1 4.28Å; Y931-F933 HydrophobicContact CD1-CE1 4.17Å; Y931-F933 HydrophobicContact CD1-CE2 4.43Å; Y931-F933 HydrophobicContact CD1-CG 4.45Å; Y931-F933 HydrophobicContact CD1-CZ 4.26Å; Y931-F933 AromaticContact CE1-CD1 3.85Å; Y931-F933 HydrophobicContact CE1-CD1 3.85Å; Y931-F933 AromaticContact CE1-CE1 3.92Å; Y931-F933 HydrophobicContact CE1-CE1 3.92Å; Y931-F933 HydrophobicContact CE1-CG 4.33Å; Y931-F933 HydrophobicContact CE1-CZ 4.46Å; Y931-S1059 CarbonylContact O-C 3.48Å; Y931-S1059 VanDerWaalsContact O-CA 3.32Å; Y931-S1059 WeakPolarHBondContact O-CA 3.36Å; Y931-L1060 PolarHBondContact N-O 3.39Å; Y931-L1060 PolarHBondContact O-N 3.09Å; Y931-A1095 HydrophobicContact CE1-CB 4.07Å; Y931-P1097 HydrophobicContact CD2-CB 4.21Å; Y931-P1097 HydrophobicContact CD2-CG 4.45Å; Y931-P1097 HydrophobicContact CG-CB 4.26Å; Y931-P1097 HydrophobicContact CG-CG 4.28Å; Y931-A1100 HydrophobicContact CD2-CB 4.22Å; Y931-A1100 HydrophobicContact CE2-CB 4.05Å; Y931-V1110 HydrophobicContact CD2-CG2 3.63Å; Y931-V1110 HydrophobicContact CE2-CG2 4.29Å
932	H	81.9	Confident	61.4	Low	28 Å²	28	76.6 Å²	76.6	13%	0.13	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.5	178.6	-59.2	-79.1	0	0	0	109.7	T930 Q934 H936 R1109 T1111	T930-H932 VanDerWaalsContact CG2-CE1 3.44Å; T930-H932 WeakPolarHBondContact CG2-CE1 3.34Å; H932-Q934 WeakPolarHBondContact CB-O 3.36Å; H932-Q934 PolarHBondContact O-N 3Å; H932-H936 AromaticContact CE1-CE1 3.76Å; H932-H936 AromaticContact CG-CE1 3.91Å; H932-H936 AromaticContact ND1-CE1 3.25Å; H932-H936 PolarHBondContact ND1-CE1 3.12Å; H932-H936 AromaticContact ND1-ND1 3.79Å; H932-R1109 PolarHBondContact CD2-O 2.63Å; H932-R1109 PolarHBondContact N-O 3.36Å; H932-T1111 PolarHBondContact NE2-OG1 3.48Å
933	F	72.6	Confident	59.5	Low	48 Å²	48	78.7 Å²	78.7	21%	0.211	42%	0.422	C	S	.	.	S	Bend	trans	-75.2	-12.2	175.9	-68.6	-83.1	0	0	0	112.2	Y931 V977 V1057 K1058 L1060 F1092 A1095	Y931-F933 HydrophobicContact CD1-CD1 4.28Å; Y931-F933 HydrophobicContact CD1-CE1 4.17Å; Y931-F933 HydrophobicContact CD1-CE2 4.43Å; Y931-F933 HydrophobicContact CD1-CG 4.45Å; Y931-F933 HydrophobicContact CD1-CZ 4.26Å; Y931-F933 AromaticContact CE1-CD1 3.85Å; Y931-F933 HydrophobicContact CE1-CD1 3.85Å; Y931-F933 AromaticContact CE1-CE1 3.92Å; Y931-F933 HydrophobicContact CE1-CE1 3.92Å; Y931-F933 HydrophobicContact CE1-CG 4.33Å; Y931-F933 HydrophobicContact CE1-CZ 4.46Å; F933-V977 HydrophobicContact CE2-CG1 4.38Å; F933-V1057 HydrophobicContact CD2-CG1 3.67Å; F933-V1057 HydrophobicContact CE2-CG1 3.62Å; F933-V1057 HydrophobicContact CG-CG1 4.4Å; F933-V1057 HydrophobicContact CZ-CG1 4.34Å; F933-K1058 PolarHBondContact N-O 3.4Å; F933-L1060 HydrophobicContact CE2-CB 3.7Å; F933-L1060 HydrophobicContact CZ-CB 3.98Å; F933-L1060 HydrophobicContact CZ-CD1 4.46Å; F933-F1092 HydrophobicContact CE1-CD1 4.03Å; F933-F1092 HydrophobicContact CE1-CE1 4.3Å; F933-F1092 AromaticContact CZ-CD1 3.64Å; F933-F1092 HydrophobicContact CZ-CD1 3.64Å; F933-F1092 AromaticContact CZ-CE1 3.85Å; F933-F1092 HydrophobicContact CZ-CE1 3.85Å; F933-A1095 HydrophobicContact CE1-CB 4.21Å
934	Q	66.3	Low	58	Low	51 Å²	51	84.4 Å²	84.4	24%	0.238	46%	0.462	C	S	.	.	S	Bend	trans	-132.1	145.3	175.3	-69.2	175.3	-11.3	0	0	111.6	H932 R952	H932-Q934 WeakPolarHBondContact CB-O 3.36Å; H932-Q934 PolarHBondContact O-N 3Å; Q934-R952 PolarHBondContact NE2-O 2.72Å
935	E	49.2	Very low	56.4	Low	112 Å²	112	88.7 Å²	88.7	52%	0.523	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-72.4	125.2	175.5	-80.9	165.7	-157.2	0	0	111	R1109	E935-R1109 HydrophobicContact CG-CG 4.21Å; E935-R1109 IonicContact OE1-CZ 3.93Å; E935-R1109 IonicContact OE1-NE 2.73Å; E935-R1109 PolarHBondContact OE1-NE 2.63Å; E935-R1109 IonicContact OE1-NH2 3.27Å; E935-R1109 PolarHBondContact OE1-NH2 3.49Å
936	H	40.7	Very low	54.8	Low	123 Å²	123	91 Å²	91	57%	0.569	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-80.9	122.6	179.8	-78.3	59.1	0	0	0	111.5	H932	H932-H936 AromaticContact CE1-CE1 3.76Å; H932-H936 AromaticContact CG-CE1 3.91Å; H932-H936 AromaticContact ND1-CE1 3.25Å; H932-H936 PolarHBondContact ND1-CE1 3.12Å; H932-H936 AromaticContact ND1-ND1 3.79Å
937	Y	33.2	Very low	52.9	Low	216 Å²	216	95.1 Å²	95.1	85%	0.847	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-82.7	124.9	152.4	-84.1	-91.1	0	0	0	108.3	L939	Y937-L939 PolarHBondContact O-N 2.92Å
938	T	28.3	Very low	50.8	Low	143 Å²	143	100.4 Å²	100.4	88%	0.877	55%	0.553	S	S	*	*			trans	-77.1	104.1	170.1	49.3	0	0	0	0	109.1
939	L	33	Very low	48.6	Very low	159 Å²	159	104.8 Å²	104.8	83%	0.832	58%	0.584	S	S	*	*			trans	-92.5	127.4	165.5	-88.1	157.2	0	0	0	109.2	Y937	Y937-L939 PolarHBondContact O-N 2.92Å
940	S	31.1	Very low	46.6	Very low	105 Å²	105	112.8 Å²	112.8	73%	0.734	63%	0.626	S	S	*	*			trans	-54	137.9	172.8	141.1	0	0	0	0	111.4	N942	S940-N942 PolarHBondContact O-N 3.39Å
941	E	35.2	Very low	44.9	Very low	185 Å²	185	115.5 Å²	115.5	86%	0.864	64%	0.637	S	S	*	*	S	Bend	trans	-54.9	92.1	169.4	-71.5	180	145	0	0	110.9
942	N	35.7	Very low	43.2	Very low	158 Å²	158	124.5 Å²	124.5	85%	0.845	67%	0.671	S	S	*	*			trans	173.1	76.2	151.3	-92.1	-23.4	0	0	0	109.8	S940	S940-N942 PolarHBondContact O-N 3.39Å
943	S	31.2	Very low	42	Very low	98 Å²	98	126.6 Å²	126.6	69%	0.685	68%	0.683	S	S	*	*			trans	-164.9	90.8	146.8	53	0	0	0	0	110.1	S945	S943-S945 PolarHBondContact O-N 3.43Å
944	S	43.9	Very low	41.5	Very low	120 Å²	120	127 Å²	127	84%	0.839	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	104.7	160.6	52.5	0	0	0	0	108.6
945	S	39.8	Very low	42.1	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.5	14.8	142.5	68.1	0	0	0	0	117	S943	S943-S945 PolarHBondContact O-N 3.43Å
946	L	41.3	Very low	43.7	Very low	148 Å²	148	123.8 Å²	123.8	78%	0.775	68%	0.679	S	S	*	*			trans	-131.6	18.4	-177	-88.5	160.1	0	0	0	116.6	S948	L946-S948 PolarHBondContact O-N 3.29Å
947	V	35.9	Very low	45.7	Very low	122 Å²	122	120.7 Å²	120.7	74%	0.739	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	55	-168.1	-165.6	0	0	0	0	114.1
948	S	36.2	Very low	48.2	Very low	112 Å²	112	119.3 Å²	119.3	78%	0.783	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135	-0.6	172.7	113.1	0	0	0	0	117.4	L946	L946-S948 PolarHBondContact O-N 3.29Å
949	S	36.5	Very low	50.8	Low	102 Å²	102	113 Å²	113	71%	0.713	62%	0.623	S	S	*	*	S	Bend	trans	-118.4	14.2	-167.1	59	0	0	0	0	117.4
950	L	42.1	Very low	53	Low	168 Å²	168	109.3 Å²	109.3	88%	0.88	60%	0.602	S	S	*	*			trans	-129.2	13.1	-178	-82.7	162.8	0	0	0	116
951	H	47.3	Very low	55.6	Low	78 Å²	78	104.4 Å²	104.4	36%	0.361	57%	0.568	S	S	.	*			trans	-87.4	122	178.5	-62.5	87.2	0	0	0	110.7	D953 F980	H951-D953 WeakPolarHBondContact CB-OD1 3.4Å; H951-D953 PolarHBondContact O-N 3.07Å; H951-F980 AromaticContact CD2-CZ 3.98Å
952	R	45.2	Very low	57.4	Low	228 Å²	228	97 Å²	97	86%	0.86	54%	0.535	S	S	*	.			trans	-76.3	94.9	161.3	-104.5	-173.8	176.8	176.1	-0.5	107.2	Q934 V954	Q934-R952 PolarHBondContact NE2-O 2.72Å; R952-V954 PolarHBondContact O-N 3.43Å
953	D	56.4	Low	59.4	Low	72 Å²	72	89.5 Å²	89.5	39%	0.385	50%	0.495	S	S	.	.			trans	-65.6	118	-177.8	-72.9	-9.9	0	0	0	110.8	H951 T955 Y981 A1056	H951-D953 WeakPolarHBondContact CB-OD1 3.4Å; H951-D953 PolarHBondContact O-N 3.07Å; D953-T955 PolarHBondContact O-N 3.33Å; D953-Y981 PolarHBondContact OD2-OH 3.46Å; D953-A1056 HydrophobicContact CB-CB 4.2Å
954	V	63.6	Low	61.5	Low	56 Å²	56	85.3 Å²	85.3	34%	0.339	47%	0.466	S	S	.	.			trans	-84.9	98.5	169.1	179.6	0	0	0	0	107.2	R952 L956 A1056 V1057	R952-V954 PolarHBondContact O-N 3.43Å; V954-L956 HydrophobicContact CG1-CD2 4Å; V954-L956 HydrophobicContact CG1-CG 4.35Å; V954-A1056 PolarHBondContact O-N 2.84Å; V954-A1056 VanDerWaalsContact O-N 3.09Å; V954-V1057 PolarHBondContact O-N 3.22Å; V954-V1057 VanDerWaalsContact O-N 3.12Å
955	T	78.8	Confident	63.3	Low	61 Å²	61	79.6 Å²	79.6	37%	0.374	43%	0.426	S	S	.	.			trans	-95	124.2	173	-62.1	0	0	0	0	110.2	D953 E1053 F1054 N1055	D953-T955 PolarHBondContact O-N 3.33Å; T955-E1053 HydrophobicContact CG2-CB 3.93Å; T955-F1054 CarbonylContact C-O 3.5Å; T955-F1054 WeakPolarHBondContact CA-O 3.41Å; T955-N1055 WeakPolarHBondContact CG2-OD1 3.24Å; T955-N1055 PolarHBondContact OG1-OD1 3.39Å
956	L	82.4	Confident	65.3	Low	34 Å²	34	76.8 Å²	76.8	18%	0.178	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-106.5	119.1	178.9	-55.4	173.5	0	0	0	110	V954 R1029 F1054 V1057 F1092	V954-L956 HydrophobicContact CG1-CD2 4Å; V954-L956 HydrophobicContact CG1-CG 4.35Å; L956-R1029 PolarHBondContact O-NH2 2.87Å; L956-F1054 HydrophobicContact CB-CB 4.25Å; L956-F1054 HydrophobicContact CD1-CD1 4.35Å; L956-F1054 PolarHBondContact N-O 3.18Å; L956-F1054 PolarHBondContact O-N 3.13Å; L956-V1057 HydrophobicContact CD1-CG2 3.8Å; L956-V1057 HydrophobicContact CG-CG2 4.17Å; L956-F1092 HydrophobicContact CD1-CE1 3.6Å; L956-F1092 HydrophobicContact CD1-CZ 3.57Å
957	T	83.2	Confident	67.3	Low	59 Å²	59	69.9 Å²	69.9	36%	0.362	36%	0.362	S	S	.	.	S	Bend	trans	-96.9	-12.3	167.5	56.5	0	0	0	0	112.3	E1031 E1053	T957-E1031 WeakPolarHBondContact O-CA 3.25Å; T957-E1031 PolarHBondContact O-N 2.77Å; T957-E1053 HydrophobicContact CG2-CG 4.09Å
958	R	84.1	Confident	69.7	Low	187 Å²	187	69.2 Å²	69.2	71%	0.706	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	142.3	176.3	57.7	-178	164.4	-173	-5.9	110.7	R1029 E1030	R958-R1029 WeakPolarHBondContact CA-O 3.4Å; R958-R1029 WeakPolarHBondContact CB-O 3.3Å; R958-E1030 HydrophobicContact CB-CG 4.49Å
959	E	83.6	Confident	72	Confident	9 Å²	9	70.8 Å²	70.8	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	146.5	169.9	70.7	-76.8	170.5	0	0	112.1	I961 Y999 R1029 F1092	E959-I961 HydrophobicContact CG-CD1 4.15Å; E959-I961 HydrophobicContact CG-CG1 4.12Å; E959-Y999 WeakPolarHBondContact OE1-CE1 3.5Å; E959-Y999 VanDerWaalsContact OE1-CZ 3.29Å; E959-Y999 PolarHBondContact OE1-OH 2.85Å; E959-R1029 PolarHBondContact N-O 3.44Å; E959-R1029 PolarHBondContact O-N 3.43Å; E959-R1029 VanDerWaalsContact OE1-CB 3.31Å; E959-R1029 WeakPolarHBondContact OE1-CB 3.29Å; E959-R1029 WeakPolarHBondContact OE1-CD 3.4Å; E959-R1029 IonicContact OE1-CZ 3.68Å; E959-R1029 IonicContact OE1-NE 3.84Å; E959-R1029 PolarHBondContact OE1-NE 3.35Å; E959-R1029 IonicContact OE1-NH2 3.88Å; E959-R1029 IonicContact OE2-CZ 3.97Å; E959-R1029 IonicContact OE2-NE 3.18Å; E959-R1029 PolarHBondContact OE2-NE 3Å; E959-R1029 IonicContact OE2-NH2 3.77Å; E959-R1029 PolarHBondContact OE2-NH2 3.43Å; E959-F1092 HydrophobicContact CB-CZ 4.44Å; E959-F1092 HydrophobicContact CG-CE2 4.16Å; E959-F1092 HydrophobicContact CG-CZ 4.33Å
960	M	79.3	Confident	74.5	Confident	83 Å²	83	68.7 Å²	68.7	41%	0.409	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.4	170.1	-175.1	178.7	-69.7	0	0	108.7	I1027 G1093	M960-I1027 CarbonylContact C-O 3.6Å; M960-I1027 WeakPolarHBondContact CA-O 3.38Å; M960-G1093 PolarHBondContact O-N 2.76Å
961	I	85.7	Confident	76.8	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.8	180	-46.5	176.7	0	0	0	107.8	E959 L975 L985 K1026 I1027 R1091 F1092	E959-I961 HydrophobicContact CG-CD1 4.15Å; E959-I961 HydrophobicContact CG-CG1 4.12Å; I961-L975 HydrophobicContact CG2-CD1 4.04Å; I961-L985 HydrophobicContact CD1-CD2 3.24Å; I961-L985 HydrophobicContact CD1-CG 4.48Å; I961-K1026 CarbonylContact O-C 3.58Å; I961-K1026 WeakPolarHBondContact O-CA 3.39Å; I961-I1027 HydrophobicContact CB-CB 4.14Å; I961-I1027 PolarHBondContact N-O 2.88Å; I961-I1027 PolarHBondContact O-N 3.32Å; I961-R1091 VanDerWaalsContact CA-O 3.28Å; I961-R1091 WeakPolarHBondContact CA-O 3.48Å; I961-R1091 WeakPolarHBondContact CG2-O 3.36Å; I961-F1092 HydrophobicContact CD1-CD2 3.62Å; I961-F1092 HydrophobicContact CD1-CE2 3.62Å; I961-F1092 HydrophobicContact CG1-CD2 3.62Å; I961-F1092 HydrophobicContact CG1-CE2 3.98Å
962	T	74.2	Confident	78.8	Confident	30 Å²	30	58 Å²	58	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.5	168.9	60.3	0	0	0	0	108.1	V1025 K1026 A1089 V1090 R1091	T962-V1025 WeakPolarHBondContact CA-O 3.46Å; T962-K1026 HydrophobicContact CG2-CB 4.47Å; T962-K1026 HydrophobicContact CG2-CG 4.12Å; T962-A1089 CarbonylContact C-O 3.56Å; T962-A1089 VanDerWaalsContact C-O 3.32Å; T962-A1089 PolarHBondContact OG1-O 2.91Å; T962-V1090 CarbonylContact O-C 3.52Å; T962-V1090 VanDerWaalsContact O-CA 3.27Å; T962-V1090 WeakPolarHBondContact O-CA 3.35Å; T962-R1091 PolarHBondContact N-O 3.25Å; T962-R1091 PolarHBondContact O-N 3.47Å; T962-R1091 WeakPolarHBondContact OG1-CB 3.27Å
963	L	76.3	Confident	81	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	144.7	167.4	61.7	91.2	0	0	0	109.2	F965 L974 L975 V1025 V1090	L963-F965 HydrophobicContact CD1-CD1 3.69Å; L963-F965 HydrophobicContact CD1-CE1 4.44Å; L963-L974 HydrophobicContact CD1-CB 4.4Å; L963-L974 HydrophobicContact CD1-CD1 4.21Å; L963-L975 HydrophobicContact CD2-CB 3.89Å; L963-L975 HydrophobicContact CD2-CD1 4.21Å; L963-V1025 HydrophobicContact CD1-CB 4.16Å; L963-V1025 HydrophobicContact CD1-CG2 4.32Å; L963-V1025 HydrophobicContact CG-CB 4.32Å; L963-V1025 PolarHBondContact N-O 3.17Å; L963-V1025 PolarHBondContact O-N 3.01Å; L963-V1090 HydrophobicContact CB-CG2 3.99Å
964	S	75.8	Confident	82.6	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.063	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.8	169.5	-60.7	0	0	0	0	108.3	H1023 L1087 S1088	S964-H1023 CarbonylContact C-O 3.57Å; S964-H1023 WeakPolarHBondContact CA-O 3.43Å; S964-L1087 WeakPolarHBondContact O-CA 3.31Å; S964-S1088 PolarHBondContact N-O 3.09Å; S964-S1088 PolarHBondContact O-N 3.16Å
965	F	80.8	Confident	84	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.9	-178.2	72.7	-86.8	0	0	0	112.4	L963 T967 L974 L989 L995 M1017 H1023 V1025 F1083 C1086 L1087	L963-F965 HydrophobicContact CD1-CD1 3.69Å; L963-F965 HydrophobicContact CD1-CE1 4.44Å; F965-T967 HydrophobicContact CD2-CG2 4.04Å; F965-T967 HydrophobicContact CE2-CG2 4.27Å; F965-L974 HydrophobicContact CB-CD2 3.95Å; F965-L974 HydrophobicContact CD1-CD1 3.51Å; F965-L974 HydrophobicContact CD1-CD2 4.27Å; F965-L974 HydrophobicContact CD2-CD1 4.16Å; F965-L974 HydrophobicContact CD2-CD2 3.86Å; F965-L974 HydrophobicContact CE1-CD1 3.48Å; F965-L974 VanDerWaalsContact CE1-CD1 3.48Å; F965-L974 HydrophobicContact CE2-CD1 4.15Å; F965-L974 HydrophobicContact CE2-CD2 4.45Å; F965-L974 HydrophobicContact CG-CD1 3.85Å; F965-L974 HydrophobicContact CG-CD2 3.75Å; F965-L974 HydrophobicContact CG-CG 4.47Å; F965-L974 HydrophobicContact CZ-CD1 3.82Å; F965-L989 HydrophobicContact CD2-CD1 4.38Å; F965-L989 HydrophobicContact CE2-CD1 3.72Å; F965-L989 HydrophobicContact CE2-CD2 4.11Å; F965-L989 HydrophobicContact CE2-CG 4.33Å; F965-L989 HydrophobicContact CZ-CD1 4.37Å; F965-L989 HydrophobicContact CZ-CD2 3.92Å; F965-L995 HydrophobicContact CE1-CD1 4.49Å; F965-M1017 HydrophobicContact CE2-CB 4.36Å; F965-M1017 WeakPolarHBondContact CE2-O 3.37Å; F965-M1017 HydrophobicContact CZ-CB 4.04Å; F965-M1017 HydrophobicContact CZ-SD 4.43Å; F965-H1023 HydrophobicContact CD1-CB 4.28Å; F965-H1023 HydrophobicContact CE1-CB 3.78Å; F965-H1023 HydrophobicContact CE2-CB 4.29Å; F965-H1023 AromaticContact CE2-CD2 3.97Å; F965-H1023 HydrophobicContact CZ-CB 3.78Å; F965-H1023 AromaticContact CZ-CD2 3.97Å; F965-H1023 PolarHBondContact N-O 3.1Å; F965-H1023 PolarHBondContact O-N 3.11Å; F965-V1025 HydrophobicContact CD1-CG2 4.35Å; F965-V1025 HydrophobicContact CE1-CG2 3.76Å; F965-F1083 HydrophobicContact CB-CE2 4.32Å; F965-F1083 HydrophobicContact CB-CZ 4.21Å; F965-C1086 CarbonylContact C-O 3.35Å; F965-C1086 VanDerWaalsContact CA-O 3.23Å; F965-C1086 WeakPolarHBondContact CA-O 3.29Å; F965-L1087 HydrophobicContact CB-CD2 3.76Å
966	R	82.6	Confident	84.7	Confident	52 Å²	52	38.8 Å²	38.8	20%	0.196	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.1	171.4	-179.9	178.8	-178.6	165.6	9.1	108.7	G1020 Q1021 L1022 G1085 C1086 C1122	R966-G1020 WeakPolarHBondContact CG-O 3.24Å; R966-G1020 PolarHBondContact NE-O 2.77Å; R966-G1020 PolarHBondContact NH2-O 2.88Å; R966-Q1021 WeakPolarHBondContact CA-O 3.33Å; R966-L1022 HydrophobicContact CB-CD1 4.4Å; R966-G1085 CarbonylContact O-C 3.56Å; R966-G1085 VanDerWaalsContact O-CA 3.29Å; R966-G1085 WeakPolarHBondContact O-CA 3.47Å; R966-C1086 HydrophobicContact CB-CB 4.22Å; R966-C1086 PolarHBondContact N-O 2.74Å; R966-C1086 PolarHBondContact O-N 3.25Å; R966-C1122 PolarHBondContact NH1-O 3.3Å
967	T	83.5	Confident	85.1	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.025	18%	0.179	C	C	.	.			trans	-152.2	157.9	179.3	-171	0	0	0	0	112.2	F965 R969 L989 A1018 G1020 F1083 T1084	F965-T967 HydrophobicContact CD2-CG2 4.04Å; F965-T967 HydrophobicContact CE2-CG2 4.27Å; T967-R969 PolarHBondContact OG1-N 2.83Å; T967-R969 VanDerWaalsContact OG1-N 3.15Å; T967-L989 HydrophobicContact CG2-CD1 3.44Å; T967-L989 VanDerWaalsContact CG2-CD1 3.44Å; T967-A1018 HydrophobicContact CG2-CB 4.36Å; T967-A1018 CarbonylContact O-C 3.44Å; T967-A1018 VanDerWaalsContact O-CA 3.26Å; T967-A1018 WeakPolarHBondContact O-CA 3.28Å; T967-G1020 WeakPolarHBondContact O-CA 3.49Å; T967-G1020 PolarHBondContact O-N 2.81Å; T967-F1083 HydrophobicContact CG2-CE2 3.92Å; T967-T1084 WeakPolarHBondContact CB-O 3.46Å; T967-T1084 PolarHBondContact OG1-O 2.92Å
968	T	85.4	Confident	85.4	Confident	108 Å²	108	35 Å²	35	66%	0.663	17%	0.166	S	C	*	.			trans	-117.1	9.1	170.9	55.1	0	0	0	0	112.2	A1018	T968-A1018 WeakPolarHBondContact CA-O 3.09Å
969	R	85.4	Confident	85.6	Confident	144 Å²	144	26.6 Å²	26.6	54%	0.543	14%	0.136	S	C	.	.			trans	-104.8	139.1	-175.2	-65.7	-85.8	-166.5	-165.9	1	110.3	T967 S972	T967-R969 PolarHBondContact OG1-N 2.83Å; T967-R969 VanDerWaalsContact OG1-N 3.15Å; R969-S972 PolarHBondContact O-OG 3.15Å; R969-S972 VanDerWaalsContact O-OG 3.06Å
970	T	87.9	Confident	85.5	Confident	58 Å²	58	29.9 Å²	29.9	36%	0.356	15%	0.15	S	C	.	.	S	Bend	trans	-139	150.7	168.6	59.8	0	0	0	0	109.6	L989 A990 N991 A1018	T970-L989 HydrophobicContact CG2-CB 4.49Å; T970-A990 WeakPolarHBondContact CB-O 3.38Å; T970-N991 PolarHBondContact OG1-O 3.49Å; T970-A1018 HydrophobicContact CG2-CB 3.3Å
971	P	90.4	Very high	85.7	Confident	19 Å²	19	31.4 Å²	31.4	12%	0.123	15%	0.152	C	C	.	.	S	Bend	cis	-67.1	154.2	-17.3	32	-33.8	0	0	0	110.5	L989 N991 R1077 A1078 S1081	P971-L989 CarbonylContact C-O 3.56Å; P971-L989 WeakPolarHBondContact CA-O 3.46Å; P971-L989 WeakPolarHBondContact CB-O 3.45Å; P971-N991 WeakPolarHBondContact CB-OD1 3.38Å; P971-N991 VanDerWaalsContact CD-OD1 3.27Å; P971-N991 WeakPolarHBondContact CD-OD1 3.46Å; P971-N991 VanDerWaalsContact CG-OD1 3.25Å; P971-N991 WeakPolarHBondContact CG-OD1 3.39Å; P971-R1077 HydrophobicContact CG-CG 4.2Å; P971-A1078 HydrophobicContact CB-CB 4.35Å; P971-S1081 WeakPolarHBondContact O-CB 3.31Å
972	S	90.3	Very high	85.5	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	137.9	-179.1	-72	0	0	0	0	112.1	R969 I988 L989 G1082	R969-S972 PolarHBondContact O-OG 3.15Å; R969-S972 VanDerWaalsContact O-OG 3.06Å; S972-I988 CarbonylContact O-C 3.54Å; S972-I988 WeakPolarHBondContact O-CA 3.23Å; S972-L989 PolarHBondContact N-O 3.42Å; S972-L989 PolarHBondContact O-N 3.04Å; S972-G1082 WeakPolarHBondContact CA-O 3.32Å; S972-G1082 PolarHBondContact OG-O 3.12Å
973	L	91.5	Very high	86.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	109.6	179.3	178.5	67.2	0	0	0	110.5	Y976 I988 V1065 A1078 A1079 G1082 F1083	L973-Y976 HydrophobicContact CD2-CG 4.49Å; L973-I988 HydrophobicContact CD1-CG2 3.52Å; L973-V1065 HydrophobicContact CD2-CB 4.38Å; L973-V1065 HydrophobicContact CD2-CG2 3.35Å; L973-A1078 HydrophobicContact CB-CB 4.19Å; L973-A1079 HydrophobicContact CD2-CB 3.95Å; L973-G1082 PolarHBondContact N-O 2.87Å; L973-F1083 WeakPolarHBondContact O-CB 3.37Å
974	L	89.9	Confident	87	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-42.1	-178.1	-59.8	178.3	0	0	0	112.1	L963 F965 V987 L989 L995 L1062 F1083	L963-L974 HydrophobicContact CD1-CB 4.4Å; L963-L974 HydrophobicContact CD1-CD1 4.21Å; F965-L974 HydrophobicContact CB-CD2 3.95Å; F965-L974 HydrophobicContact CD1-CD1 3.51Å; F965-L974 HydrophobicContact CD1-CD2 4.27Å; F965-L974 HydrophobicContact CD2-CD1 4.16Å; F965-L974 HydrophobicContact CD2-CD2 3.86Å; F965-L974 HydrophobicContact CE1-CD1 3.48Å; F965-L974 VanDerWaalsContact CE1-CD1 3.48Å; F965-L974 HydrophobicContact CE2-CD1 4.15Å; F965-L974 HydrophobicContact CE2-CD2 4.45Å; F965-L974 HydrophobicContact CG-CD1 3.85Å; F965-L974 HydrophobicContact CG-CD2 3.75Å; F965-L974 HydrophobicContact CG-CG 4.47Å; F965-L974 HydrophobicContact CZ-CD1 3.82Å; L974-V987 HydrophobicContact CB-CB 4.42Å; L974-V987 HydrophobicContact CB-CG1 4.26Å; L974-V987 WeakPolarHBondContact CB-O 3.37Å; L974-V987 HydrophobicContact CD1-CG1 4.11Å; L974-V987 PolarHBondContact N-O 3.44Å; L974-L989 HydrophobicContact CD1-CD2 4.43Å; L974-L989 HydrophobicContact CD1-CG 4.26Å; L974-L995 HydrophobicContact CD1-CD1 3.87Å; L974-L1062 WeakPolarHBondContact O-CD2 3.5Å; L974-F1083 HydrophobicContact CD2-CD2 3.45Å; L974-F1083 VanDerWaalsContact CD2-CD2 3.45Å; L974-F1083 HydrophobicContact CD2-CE2 3.35Å; L974-F1083 HydrophobicContact CD2-CG 4.49Å; L974-F1083 HydrophobicContact CD2-CZ 4.38Å
975	L	93	Very high	87.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	134.8	-179.2	176.8	137.3	0	0	0	109.9	I961 L963 V977 S986 V987 L1060 L1062 V1090	I961-L975 HydrophobicContact CG2-CD1 4.04Å; L963-L975 HydrophobicContact CD2-CB 3.89Å; L963-L975 HydrophobicContact CD2-CD1 4.21Å; L975-V977 HydrophobicContact CD2-CG2 3.81Å; L975-V977 HydrophobicContact CG-CG2 4.41Å; L975-S986 WeakPolarHBondContact O-CA 3.27Å; L975-V987 HydrophobicContact CB-CB 4.32Å; L975-V987 HydrophobicContact CB-CG2 4.42Å; L975-V987 HydrophobicContact CD2-CG2 4.19Å; L975-V987 PolarHBondContact N-O 3.25Å; L975-V987 PolarHBondContact O-N 3.03Å; L975-L1060 HydrophobicContact CD1-CD1 4.02Å; L975-L1060 HydrophobicContact CD1-CG 4.37Å; L975-L1062 HydrophobicContact CB-CD2 4.21Å; L975-L1062 HydrophobicContact CD1-CD2 4.22Å; L975-L1062 HydrophobicContact CG-CD2 4.38Å; L975-V1090 HydrophobicContact CD1-CG1 4.24Å
976	Y	93.2	Very high	88.5	Confident	14 Å²	14	34.2 Å²	34.2	6%	0.055	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.1	173.9	-176.6	-105.3	0	0	0	110.2	L973 Y984 L985 L1060 I1061 V1065 A1071 T1075	L973-Y976 HydrophobicContact CD2-CG 4.49Å; Y976-Y984 HydrophobicContact CD2-CD2 4.49Å; Y976-Y984 AromaticContact CE2-CD2 3.8Å; Y976-Y984 HydrophobicContact CE2-CD2 3.8Å; Y976-Y984 AromaticContact CE2-CG 4Å; Y976-Y984 HydrophobicContact CE2-CG 4Å; Y976-L985 CarbonylContact C-O 3.52Å; Y976-L985 WeakPolarHBondContact CA-O 3.48Å; Y976-L1060 CarbonylContact O-C 3.53Å; Y976-L1060 WeakPolarHBondContact O-CA 3.3Å; Y976-I1061 HydrophobicContact CD1-CD1 4.18Å; Y976-I1061 PolarHBondContact N-O 3.09Å; Y976-I1061 PolarHBondContact O-N 3.29Å; Y976-V1065 HydrophobicContact CD1-CG2 4.13Å; Y976-V1065 HydrophobicContact CG-CG2 4.33Å; Y976-A1071 HydrophobicContact CE2-CB 4.21Å; Y976-T1075 HydrophobicContact CD2-CG2 3.9Å; Y976-T1075 HydrophobicContact CE2-CG2 3.81Å
977	V	91.6	Very high	89	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125	175.4	-175.1	0	0	0	0	107.8	F933 L975 Y984 L985 F1054 V1057 S1059 L1060 F1092	F933-V977 HydrophobicContact CE2-CG1 4.38Å; L975-V977 HydrophobicContact CD2-CG2 3.81Å; L975-V977 HydrophobicContact CG-CG2 4.41Å; V977-Y984 CarbonylContact O-C 3.51Å; V977-Y984 WeakPolarHBondContact O-CA 3.45Å; V977-Y984 VanDerWaalsContact O-CB 3.31Å; V977-Y984 WeakPolarHBondContact O-CB 3.39Å; V977-L985 HydrophobicContact CB-CB 4.3Å; V977-L985 PolarHBondContact N-O 3.22Å; V977-L985 PolarHBondContact O-N 3.19Å; V977-F1054 HydrophobicContact CB-CE1 4.08Å; V977-F1054 HydrophobicContact CB-CZ 4.27Å; V977-F1054 HydrophobicContact CG1-CE1 3.63Å; V977-F1054 HydrophobicContact CG1-CZ 3.86Å; V977-V1057 HydrophobicContact CG1-CG1 3.43Å; V977-V1057 VanDerWaalsContact CG1-CG1 3.43Å; V977-S1059 WeakPolarHBondContact CA-O 3.15Å; V977-L1060 HydrophobicContact CG2-CB 4.17Å; V977-L1060 HydrophobicContact CG2-CD1 4.1Å; V977-L1060 HydrophobicContact CG2-CG 4Å; V977-F1092 HydrophobicContact CG1-CE2 4.48Å; V977-F1092 HydrophobicContact CG1-CZ 4.18Å; V977-F1092 HydrophobicContact CG2-CD2 4.05Å; V977-F1092 HydrophobicContact CG2-CE2 3.82Å; V977-F1092 HydrophobicContact CG2-CZ 4.32Å
978	S	89.5	Confident	89.5	Confident	15 Å²	15	31.7 Å²	31.7	11%	0.105	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.4	-178.4	60.4	0	0	0	0	111.4	K1058 S1059	S978-K1058 WeakPolarHBondContact O-CA 3.33Å; S978-K1058 WeakPolarHBondContact O-CB 3.3Å; S978-K1058 PolarHBondContact O-N 3.46Å; S978-S1059 PolarHBondContact N-O 2.98Å; S978-S1059 PolarHBondContact O-N 3.32Å; S978-S1059 PolarHBondContact OG-O 2.94Å; S978-S1059 PolarHBondContact OG-OG 3.28Å
979	S	87.4	Confident	89.9	Confident	10 Å²	10	26.5 Å²	26.5	7%	0.07	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	163.8	168.2	171.6	0	0	0	0	112.2	Y981 E983 N1055 A1056	S979-Y981 PolarHBondContact OG-N 3.05Å; S979-E983 VanDerWaalsContact CB-O 3.29Å; S979-E983 WeakPolarHBondContact CB-O 3.03Å; S979-E983 PolarHBondContact N-O 3.03Å; S979-N1055 WeakPolarHBondContact CB-O 3.05Å; S979-N1055 PolarHBondContact OG-O 3.46Å; S979-A1056 WeakPolarHBondContact CA-O 2.95Å; S979-A1056 PolarHBondContact OG-O 3.2Å
980	F	81.8	Confident	90.1	Very high	77 Å²	77	20.3 Å²	20.3	34%	0.338	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.3	164.3	-70	-76.7	0	0	0	113.4	H951 A1056 K1058	H951-F980 AromaticContact CD2-CZ 3.98Å; F980-A1056 HydrophobicContact CB-CB 4.18Å; F980-A1056 HydrophobicContact CD2-CB 4.14Å; F980-A1056 VanDerWaalsContact CD2-O 3.31Å; F980-A1056 WeakPolarHBondContact CD2-O 3.1Å; F980-A1056 PolarHBondContact N-O 2.82Å; F980-K1058 HydrophobicContact CD1-CB 4.42Å; F980-K1058 HydrophobicContact CD1-CD 3.93Å; F980-K1058 HydrophobicContact CD1-CG 4.25Å; F980-K1058 HydrophobicContact CD2-CB 3.87Å; F980-K1058 HydrophobicContact CD2-CG 4.39Å; F980-K1058 HydrophobicContact CE1-CB 4.34Å; F980-K1058 HydrophobicContact CE1-CD 3.77Å; F980-K1058 HydrophobicContact CE1-CG 3.83Å; F980-K1058 HydrophobicContact CE2-CB 3.77Å; F980-K1058 HydrophobicContact CE2-CG 3.98Å; F980-K1058 HydrophobicContact CG-CB 4.2Å; F980-K1058 HydrophobicContact CG-CD 4.47Å; F980-K1058 HydrophobicContact CZ-CB 4.02Å; F980-K1058 HydrophobicContact CZ-CD 4.18Å; F980-K1058 HydrophobicContact CZ-CG 3.68Å
981	Y	83.3	Confident	90	Very high	115 Å²	115	21.6 Å²	21.6	45%	0.451	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	20.1	-178.5	-61	-57.3	0	0	0	114.5	D953 S979 E983 N1055 A1056	D953-Y981 PolarHBondContact OD2-OH 3.46Å; S979-Y981 PolarHBondContact OG-N 3.05Å; Y981-E983 PolarHBondContact O-N 3.16Å; Y981-E983 VanDerWaalsContact O-N 3.13Å; Y981-N1055 HydrophobicContact CD2-CB 3.84Å; Y981-N1055 HydrophobicContact CE2-CB 4.17Å; Y981-A1056 HydrophobicContact CD2-CB 3.6Å; Y981-A1056 HydrophobicContact CE2-CB 3.36Å
982	E	82.3	Confident	89.9	Confident	85 Å²	85	25.2 Å²	25.2	40%	0.397	12%	0.123	S	C	.	.	S	Bend	trans	60.9	14	-175.2	-58.3	174.2	-176.5	0	0	114.6	R1003	E982-R1003 HydrophobicContact CB-CG 4.39Å; E982-R1003 IonicContact OE1-CZ 2.88Å; E982-R1003 IonicContact OE1-NE 2.79Å; E982-R1003 IonicContact OE1-NH2 3.73Å; E982-R1003 PolarHBondContact OE1-NH2 3.22Å; E982-R1003 IonicContact OE2-CZ 3.97Å; E982-R1003 IonicContact OE2-NE 2.98Å; E982-R1003 PolarHBondContact OE2-NE 2.88Å; E982-R1003 IonicContact OE2-NH2 3.39Å; E982-R1003 PolarHBondContact OE2-NH2 2.84Å
983	E	89.8	Confident	89.7	Confident	15 Å²	15	25.1 Å²	25.1	7%	0.07	12%	0.123	C	C	.	.			trans	-75.1	146.1	165	-61	169.2	-163.2	0	0	109.6	S979 Y981 K1000 L1001 F1054 N1055	S979-E983 VanDerWaalsContact CB-O 3.29Å; S979-E983 WeakPolarHBondContact CB-O 3.03Å; S979-E983 PolarHBondContact N-O 3.03Å; Y981-E983 PolarHBondContact O-N 3.16Å; Y981-E983 VanDerWaalsContact O-N 3.13Å; E983-K1000 CarbonylContact C-O 3.53Å; E983-K1000 WeakPolarHBondContact CA-O 3.34Å; E983-K1000 VanDerWaalsContact CB-O 3.23Å; E983-K1000 WeakPolarHBondContact CB-O 3.49Å; E983-L1001 VanDerWaalsContact CD-O 3.23Å; E983-F1054 HydrophobicContact CB-CD2 3.87Å; E983-F1054 HydrophobicContact CB-CE2 3.69Å; E983-F1054 WeakPolarHBondContact OE2-CD2 3.17Å; E983-N1055 PolarHBondContact OE1-ND2 3.13Å; E983-N1055 PolarHBondContact OE2-N 2.94Å
984	Y	91.8	Very high	89.7	Confident	1 Å²	1	25.3 Å²	25.3	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.9	177.4	70.5	-88.3	0	0	0	114	Y976 V977 K1000 A1071 D1072 T1075	Y976-Y984 HydrophobicContact CD2-CD2 4.49Å; Y976-Y984 AromaticContact CE2-CD2 3.8Å; Y976-Y984 HydrophobicContact CE2-CD2 3.8Å; Y976-Y984 AromaticContact CE2-CG 4Å; Y976-Y984 HydrophobicContact CE2-CG 4Å; V977-Y984 CarbonylContact O-C 3.51Å; V977-Y984 WeakPolarHBondContact O-CA 3.45Å; V977-Y984 VanDerWaalsContact O-CB 3.31Å; V977-Y984 WeakPolarHBondContact O-CB 3.39Å; Y984-K1000 HydrophobicContact CD1-CB 3.77Å; Y984-K1000 HydrophobicContact CD1-CD 3.91Å; Y984-K1000 HydrophobicContact CD1-CG 4.43Å; Y984-K1000 HydrophobicContact CE1-CB 3.61Å; Y984-K1000 HydrophobicContact CE1-CD 3.44Å; Y984-K1000 VanDerWaalsContact CE1-CD 3.44Å; Y984-K1000 HydrophobicContact CE1-CG 4.15Å; Y984-K1000 HydrophobicContact CG-CB 4.36Å; Y984-K1000 PolarHBondContact N-O 3.44Å; Y984-K1000 PolarHBondContact O-N 2.84Å; Y984-A1071 HydrophobicContact CE1-CB 4.23Å; Y984-A1071 HydrophobicContact CE2-CB 4.45Å; Y984-D1072 VanDerWaalsContact OH-CB 3.29Å; Y984-D1072 WeakPolarHBondContact OH-CB 3.41Å; Y984-D1072 VanDerWaalsContact OH-CG 3.32Å; Y984-D1072 PolarHBondContact OH-N 2.87Å; Y984-D1072 PolarHBondContact OH-OD1 3.49Å; Y984-T1075 HydrophobicContact CE2-CG2 4.28Å
985	L	93.3	Very high	89.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.5	166.9	166.8	59.6	0	0	0	108.8	I961 Y976 V977 I997 R998 Y999 F1054 F1092	I961-L985 HydrophobicContact CD1-CD2 3.24Å; I961-L985 HydrophobicContact CD1-CG 4.48Å; Y976-L985 CarbonylContact C-O 3.52Å; Y976-L985 WeakPolarHBondContact CA-O 3.48Å; V977-L985 HydrophobicContact CB-CB 4.3Å; V977-L985 PolarHBondContact N-O 3.22Å; V977-L985 PolarHBondContact O-N 3.19Å; L985-I997 HydrophobicContact CD1-CG2 4.06Å; L985-R998 WeakPolarHBondContact CA-O 3.44Å; L985-R998 VanDerWaalsContact CD1-O 3.25Å; L985-R998 WeakPolarHBondContact CD1-O 3.33Å; L985-Y999 HydrophobicContact CB-CD1 4.37Å; L985-Y999 HydrophobicContact CB-CE1 4.25Å; L985-Y999 HydrophobicContact CD1-CD1 3.96Å; L985-Y999 HydrophobicContact CD1-CD2 3.62Å; L985-Y999 HydrophobicContact CD1-CE1 3.71Å; L985-Y999 HydrophobicContact CD1-CE2 3.33Å; L985-Y999 HydrophobicContact CD1-CG 3.92Å; L985-Y999 VanDerWaalsContact CD1-CZ 3.4Å; L985-Y999 HydrophobicContact CD2-CE1 3.75Å; L985-Y999 HydrophobicContact CD2-CE2 4.4Å; L985-Y999 WeakPolarHBondContact CD2-OH 3.48Å; L985-Y999 HydrophobicContact CG-CE1 4.12Å; L985-Y999 HydrophobicContact CG-CE2 4.46Å; L985-F1054 HydrophobicContact CB-CE1 4.09Å; L985-F1054 HydrophobicContact CB-CZ 4.46Å; L985-F1092 HydrophobicContact CD2-CE2 4.17Å
986	S	93.9	Very high	89.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.4	175.9	70.5	0	0	0	0	112.4	L975 R998 T1075	L975-S986 WeakPolarHBondContact O-CA 3.27Å; S986-R998 PolarHBondContact N-O 2.85Å; S986-R998 PolarHBondContact O-N 2.81Å; S986-T1075 PolarHBondContact OG-OG1 3.39Å; S986-T1075 VanDerWaalsContact OG-OG1 3.09Å
987	V	94.4	Very high	89.9	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.1	170.7	-174.7	0	0	0	0	107.8	L974 L975 L995 I997 I1027	L974-V987 HydrophobicContact CB-CB 4.42Å; L974-V987 HydrophobicContact CB-CG1 4.26Å; L974-V987 WeakPolarHBondContact CB-O 3.37Å; L974-V987 HydrophobicContact CD1-CG1 4.11Å; L974-V987 PolarHBondContact N-O 3.44Å; L975-V987 HydrophobicContact CB-CB 4.32Å; L975-V987 HydrophobicContact CB-CG2 4.42Å; L975-V987 HydrophobicContact CD2-CG2 4.19Å; L975-V987 PolarHBondContact N-O 3.25Å; L975-V987 PolarHBondContact O-N 3.03Å; V987-L995 HydrophobicContact CG1-CD1 3.77Å; V987-I997 HydrophobicContact CG1-CG1 4.39Å; V987-I997 HydrophobicContact CG2-CG1 4.39Å; V987-I1027 HydrophobicContact CG2-CD1 3.72Å
988	I	93.8	Very high	90	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.4	-175.6	72.9	172.8	0	0	0	112.2	S972 L973 Q996 R998 D1074 A1078	S972-I988 CarbonylContact O-C 3.54Å; S972-I988 WeakPolarHBondContact O-CA 3.23Å; L973-I988 HydrophobicContact CD1-CG2 3.52Å; I988-Q996 HydrophobicContact CG1-CB 3.94Å; I988-Q996 PolarHBondContact N-O 2.88Å; I988-Q996 PolarHBondContact O-N 3.49Å; I988-R998 VanDerWaalsContact CG1-NH1 3.3Å; I988-D1074 HydrophobicContact CD1-CB 4.11Å; I988-A1078 HydrophobicContact CB-CB 3.9Å; I988-A1078 HydrophobicContact CD1-CB 4.17Å; I988-A1078 HydrophobicContact CG2-CB 3.68Å
989	L	92.5	Very high	90.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.9	157.7	-61.3	178.4	0	0	0	108.3	F965 T967 T970 P971 S972 L974 L995 M1017 A1018	F965-L989 HydrophobicContact CD2-CD1 4.38Å; F965-L989 HydrophobicContact CE2-CD1 3.72Å; F965-L989 HydrophobicContact CE2-CD2 4.11Å; F965-L989 HydrophobicContact CE2-CG 4.33Å; F965-L989 HydrophobicContact CZ-CD1 4.37Å; F965-L989 HydrophobicContact CZ-CD2 3.92Å; T967-L989 HydrophobicContact CG2-CD1 3.44Å; T967-L989 VanDerWaalsContact CG2-CD1 3.44Å; T970-L989 HydrophobicContact CG2-CB 4.49Å; P971-L989 CarbonylContact C-O 3.56Å; P971-L989 WeakPolarHBondContact CA-O 3.46Å; P971-L989 WeakPolarHBondContact CB-O 3.45Å; S972-L989 PolarHBondContact N-O 3.42Å; S972-L989 PolarHBondContact O-N 3.04Å; L974-L989 HydrophobicContact CD1-CD2 4.43Å; L974-L989 HydrophobicContact CD1-CG 4.26Å; L989-L995 HydrophobicContact CD2-CB 4.26Å; L989-L995 HydrophobicContact CD2-CD1 4.01Å; L989-M1017 HydrophobicContact CD2-CB 3.98Å; L989-A1018 HydrophobicContact CD1-CB 4.2Å
990	A	90.1	Very high	90.4	Very high	14 Å²	14	26.2 Å²	26.2	12%	0.116	13%	0.125	C	C	.	.			trans	-72.6	174.6	175.4	0	0	0	0	0	111.6	T970 N992 G993 S994 Q996	T970-A990 WeakPolarHBondContact CB-O 3.38Å; A990-N992 WeakPolarHBondContact CB-OD1 3.4Å; A990-N992 PolarHBondContact O-N 2.84Å; A990-G993 WeakPolarHBondContact O-CA 3.5Å; A990-G993 PolarHBondContact O-N 3.32Å; A990-S994 PolarHBondContact N-O 2.93Å; A990-Q996 HydrophobicContact CB-CG 4.43Å
991	N	87.3	Confident	90.8	Very high	85 Å²	85	22.9 Å²	22.9	46%	0.455	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.5	-175.9	-59.9	-35.3	0	0	0	113.1	T970 P971 G993 R1077	T970-N991 PolarHBondContact OG1-O 3.49Å; P971-N991 WeakPolarHBondContact CB-OD1 3.38Å; P971-N991 VanDerWaalsContact CD-OD1 3.27Å; P971-N991 WeakPolarHBondContact CD-OD1 3.46Å; P971-N991 VanDerWaalsContact CG-OD1 3.25Å; P971-N991 WeakPolarHBondContact CG-OD1 3.39Å; N991-G993 PolarHBondContact O-N 2.76Å; N991-R1077 PolarHBondContact ND2-NH1 2.81Å
992	N	86.9	Confident	90.9	Very high	95 Å²	95	19.7 Å²	19.7	51%	0.508	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.6	175.9	66.3	-11.5	0	0	0	113.5	A990 S994	A990-N992 WeakPolarHBondContact CB-OD1 3.4Å; A990-N992 PolarHBondContact O-N 2.84Å; N992-S994 WeakPolarHBondContact OD1-CB 3.42Å; N992-S994 PolarHBondContact OD1-N 2.95Å; N992-S994 PolarHBondContact OD1-OG 3.31Å
993	G	87	Confident	90.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	81.2	6.8	-178.3	0	0	0	0	0	115.7	A990 N991 N1016 M1017	A990-G993 WeakPolarHBondContact O-CA 3.5Å; A990-G993 PolarHBondContact O-N 3.32Å; N991-G993 PolarHBondContact O-N 2.76Å; G993-N1016 WeakPolarHBondContact CA-OD1 3.44Å; G993-M1017 PolarHBondContact O-N 2.79Å
994	S	91.2	Very high	90.4	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.021	14%	0.14	C	C	.	.			trans	-70	138.9	172.7	68	0	0	0	0	110.7	A990 N992 T1011 D1013	A990-S994 PolarHBondContact N-O 2.93Å; N992-S994 WeakPolarHBondContact OD1-CB 3.42Å; N992-S994 PolarHBondContact OD1-N 2.95Å; N992-S994 PolarHBondContact OD1-OG 3.31Å; S994-T1011 WeakPolarHBondContact OG-CG2 3.22Å; S994-D1013 WeakPolarHBondContact CB-OD1 3.28Å
995	L	93.1	Very high	89.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.7	172.9	-179.4	73	0	0	0	110.3	F965 L974 V987 L989 I997 F1012 M1017 V1025 V1038	F965-L995 HydrophobicContact CE1-CD1 4.49Å; L974-L995 HydrophobicContact CD1-CD1 3.87Å; V987-L995 HydrophobicContact CG1-CD1 3.77Å; L989-L995 HydrophobicContact CD2-CB 4.26Å; L989-L995 HydrophobicContact CD2-CD1 4.01Å; L995-I997 HydrophobicContact CD2-CD1 4.15Å; L995-I997 HydrophobicContact CG-CD1 4.12Å; L995-F1012 HydrophobicContact CB-CB 4.4Å; L995-F1012 PolarHBondContact O-N 2.84Å; L995-M1017 HydrophobicContact CB-CE 3.86Å; L995-M1017 HydrophobicContact CB-SD 3.6Å; L995-M1017 VanDerWaalsContact CB-SD 3.6Å; L995-M1017 HydrophobicContact CD2-CE 4.47Å; L995-M1017 HydrophobicContact CD2-SD 4.14Å; L995-M1017 HydrophobicContact CG-SD 4.41Å; L995-V1025 HydrophobicContact CD1-CG2 4.48Å; L995-V1025 HydrophobicContact CD2-CG1 4.07Å; L995-V1025 HydrophobicContact CD2-CG2 3.62Å; L995-V1038 HydrophobicContact CD2-CG2 3.69Å
996	Q	93.7	Very high	89.5	Confident	25 Å²	25	39.6 Å²	39.6	12%	0.117	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132	178.9	-66.1	178.5	-7.6	0	0	110.7	I988 A990 F1010 T1011	I988-Q996 HydrophobicContact CG1-CB 3.94Å; I988-Q996 PolarHBondContact N-O 2.88Å; I988-Q996 PolarHBondContact O-N 3.49Å; A990-Q996 HydrophobicContact CB-CG 4.43Å; Q996-F1010 WeakPolarHBondContact CA-O 2.84Å; Q996-T1011 HydrophobicContact CG-CG2 3.55Å
997	I	94.3	Very high	89.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.4	174.2	-58.4	89.5	0	0	0	107.4	L985 V987 L995 Y999 F1010 F1012 I1027 V1036	L985-I997 HydrophobicContact CD1-CG2 4.06Å; V987-I997 HydrophobicContact CG1-CG1 4.39Å; V987-I997 HydrophobicContact CG2-CG1 4.39Å; L995-I997 HydrophobicContact CD2-CD1 4.15Å; L995-I997 HydrophobicContact CG-CD1 4.12Å; I997-Y999 HydrophobicContact CG2-CD2 4.09Å; I997-Y999 HydrophobicContact CG2-CE2 3.88Å; I997-F1010 HydrophobicContact CB-CD2 4.21Å; I997-F1010 HydrophobicContact CB-CE1 4.18Å; I997-F1010 HydrophobicContact CB-CE2 3.6Å; I997-F1010 HydrophobicContact CB-CZ 3.57Å; I997-F1010 HydrophobicContact CD1-CD2 4.31Å; I997-F1010 HydrophobicContact CD1-CE2 3.87Å; I997-F1010 HydrophobicContact CG1-CE2 4.11Å; I997-F1010 HydrophobicContact CG1-CZ 4.41Å; I997-F1010 HydrophobicContact CG2-CE1 4.11Å; I997-F1010 HydrophobicContact CG2-CE2 4.11Å; I997-F1010 HydrophobicContact CG2-CZ 3.57Å; I997-F1010 PolarHBondContact N-O 3.43Å; I997-F1010 VanDerWaalsContact N-O 3.07Å; I997-F1010 PolarHBondContact O-N 2.86Å; I997-F1012 HydrophobicContact CD1-CD2 3.92Å; I997-F1012 HydrophobicContact CD1-CE2 3.77Å; I997-I1027 HydrophobicContact CG1-CD1 3.92Å; I997-I1027 HydrophobicContact CG2-CD1 4.12Å; I997-V1036 HydrophobicContact CD1-CG1 4.01Å; I997-V1036 HydrophobicContact CD1-CG2 4.48Å
998	R	93.3	Very high	89.1	Confident	8 Å²	8	42.2 Å²	42.2	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.2	-179.8	-58.8	173.8	166.8	59.8	2.1	110.6	L985 S986 I988 P1007 D1008 A1009 D1072 D1074 T1075	L985-R998 WeakPolarHBondContact CA-O 3.44Å; L985-R998 VanDerWaalsContact CD1-O 3.25Å; L985-R998 WeakPolarHBondContact CD1-O 3.33Å; S986-R998 PolarHBondContact N-O 2.85Å; S986-R998 PolarHBondContact O-N 2.81Å; I988-R998 VanDerWaalsContact CG1-NH1 3.3Å; R998-P1007 HydrophobicContact CB-CB 4.45Å; R998-D1008 VanDerWaalsContact CA-O 3.29Å; R998-D1008 WeakPolarHBondContact CA-O 3.26Å; R998-A1009 HydrophobicContact CG-CB 3.78Å; R998-D1072 WeakPolarHBondContact CD-OD1 3.43Å; R998-D1072 IonicContact NE-OD1 2.73Å; R998-D1072 IonicContact NE-OD2 2.81Å; R998-D1072 PolarHBondContact NE-OD2 3.06Å; R998-D1074 IonicContact CZ-OD2 3.31Å; R998-D1074 IonicContact NH2-OD2 3.37Å; R998-D1074 PolarHBondContact NH2-OD2 2.91Å; R998-T1075 WeakPolarHBondContact CD-OG1 3.2Å
999	Y	93.6	Very high	88.9	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.4	172	-84.9	-91.7	0	0	0	109.6	E959 L985 I997 L1001 P1007 D1008 F1010 I1027 V1034 L1048 S1050	E959-Y999 WeakPolarHBondContact OE1-CE1 3.5Å; E959-Y999 VanDerWaalsContact OE1-CZ 3.29Å; E959-Y999 PolarHBondContact OE1-OH 2.85Å; L985-Y999 HydrophobicContact CB-CD1 4.37Å; L985-Y999 HydrophobicContact CB-CE1 4.25Å; L985-Y999 HydrophobicContact CD1-CD1 3.96Å; L985-Y999 HydrophobicContact CD1-CD2 3.62Å; L985-Y999 HydrophobicContact CD1-CE1 3.71Å; L985-Y999 HydrophobicContact CD1-CE2 3.33Å; L985-Y999 HydrophobicContact CD1-CG 3.92Å; L985-Y999 VanDerWaalsContact CD1-CZ 3.4Å; L985-Y999 HydrophobicContact CD2-CE1 3.75Å; L985-Y999 HydrophobicContact CD2-CE2 4.4Å; L985-Y999 WeakPolarHBondContact CD2-OH 3.48Å; L985-Y999 HydrophobicContact CG-CE1 4.12Å; L985-Y999 HydrophobicContact CG-CE2 4.46Å; I997-Y999 HydrophobicContact CG2-CD2 4.09Å; I997-Y999 HydrophobicContact CG2-CE2 3.88Å; Y999-L1001 HydrophobicContact CD1-CD1 4.39Å; Y999-L1001 HydrophobicContact CD1-CD2 4Å; Y999-L1001 HydrophobicContact CD1-CG 4.26Å; Y999-P1007 CarbonylContact O-C 3.58Å; Y999-P1007 WeakPolarHBondContact O-CA 3.48Å; Y999-D1008 PolarHBondContact N-O 3.2Å; Y999-D1008 PolarHBondContact O-N 2.98Å; Y999-F1010 HydrophobicContact CD2-CE1 4.4Å; Y999-I1027 HydrophobicContact CE2-CG2 4.47Å; Y999-V1034 HydrophobicContact CD2-CG2 4.27Å; Y999-V1034 HydrophobicContact CE2-CG1 4.14Å; Y999-V1034 HydrophobicContact CE2-CG2 3.99Å; Y999-L1048 HydrophobicContact CD1-CD1 4.01Å; Y999-L1048 HydrophobicContact CD2-CD1 4.32Å; Y999-L1048 HydrophobicContact CD2-CD2 4.18Å; Y999-L1048 HydrophobicContact CG-CD1 3.83Å; Y999-L1048 HydrophobicContact CG-CD2 4.15Å; Y999-S1050 PolarHBondContact O-OG 2.92Å
1000	K	91.8	Very high	88.9	Confident	26 Å²	26	45.5 Å²	45.5	11%	0.113	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	96.2	167.2	-171.2	-177.8	179.1	-169.1	0	108	E983 Y984 D1002 R1003 Q1005 P1007	E983-K1000 CarbonylContact C-O 3.53Å; E983-K1000 WeakPolarHBondContact CA-O 3.34Å; E983-K1000 VanDerWaalsContact CB-O 3.23Å; E983-K1000 WeakPolarHBondContact CB-O 3.49Å; Y984-K1000 HydrophobicContact CD1-CB 3.77Å; Y984-K1000 HydrophobicContact CD1-CD 3.91Å; Y984-K1000 HydrophobicContact CD1-CG 4.43Å; Y984-K1000 HydrophobicContact CE1-CB 3.61Å; Y984-K1000 HydrophobicContact CE1-CD 3.44Å; Y984-K1000 VanDerWaalsContact CE1-CD 3.44Å; Y984-K1000 HydrophobicContact CE1-CG 4.15Å; Y984-K1000 HydrophobicContact CG-CB 4.36Å; Y984-K1000 PolarHBondContact N-O 3.44Å; Y984-K1000 PolarHBondContact O-N 2.84Å; K1000-D1002 WeakPolarHBondContact CE-O 3.44Å; K1000-R1003 PolarHBondContact NZ-O 3.16Å; K1000-Q1005 VanDerWaalsContact CE-O 3.22Å; K1000-Q1005 WeakPolarHBondContact CE-O 3.45Å; K1000-P1007 HydrophobicContact CB-CB 4.08Å
1001	L	89.9	Confident	88.8	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.031	24%	0.239	C	C	.	.			trans	-98.3	-4.3	-176.8	-60.8	-174.2	0	0	0	113.9	E983 Y999 L1048 S1050 G1051 F1054	E983-L1001 VanDerWaalsContact CD-O 3.23Å; Y999-L1001 HydrophobicContact CD1-CD1 4.39Å; Y999-L1001 HydrophobicContact CD1-CD2 4Å; Y999-L1001 HydrophobicContact CD1-CG 4.26Å; L1001-L1048 HydrophobicContact CD1-CD1 3.66Å; L1001-S1050 CarbonylContact C-O 3.52Å; L1001-S1050 PolarHBondContact N-OG 2.79Å; L1001-G1051 WeakPolarHBondContact CD1-O 3.47Å; L1001-F1054 HydrophobicContact CD2-CB 3.56Å; L1001-F1054 HydrophobicContact CD2-CD1 4.47Å; L1001-F1054 HydrophobicContact CD2-CD2 3.88Å; L1001-F1054 HydrophobicContact CD2-CG 3.74Å
1002	D	84.1	Confident	88.8	Confident	49 Å²	49	43 Å²	43	26%	0.262	22%	0.22	S	C	.	.	S	Bend	trans	-135.8	129.8	174.4	178.9	-15.2	0	0	0	108.9	K1000 H1004 Q1005 S1050	K1000-D1002 WeakPolarHBondContact CE-O 3.44Å; D1002-H1004 PolarHBondContact O-N 3.35Å; D1002-H1004 WeakPolarHBondContact OD1-CB 3.39Å; D1002-H1004 IonicContact OD1-CD2 3.66Å; D1002-H1004 IonicContact OD1-CG 3.92Å; D1002-H1004 PolarHBondContact OD1-N 2.9Å; D1002-Q1005 HydrophobicContact CB-CB 4.17Å; D1002-Q1005 HydrophobicContact CB-CG 4.07Å; D1002-Q1005 PolarHBondContact O-N 3.44Å; D1002-Q1005 PolarHBondContact OD2-NE2 2.96Å; D1002-S1050 WeakPolarHBondContact CB-O 3.37Å; D1002-S1050 PolarHBondContact N-O 2.88Å
1003	R	80.8	Confident	88.3	Confident	134 Å²	134	43.7 Å²	43.7	51%	0.506	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.5	179.9	-173.6	-179.8	-173.8	-166	7	112.6	E982 K1000	E982-R1003 HydrophobicContact CB-CG 4.39Å; E982-R1003 IonicContact OE1-CZ 2.88Å; E982-R1003 IonicContact OE1-NE 2.79Å; E982-R1003 IonicContact OE1-NH2 3.73Å; E982-R1003 PolarHBondContact OE1-NH2 3.22Å; E982-R1003 IonicContact OE2-CZ 3.97Å; E982-R1003 IonicContact OE2-NE 2.98Å; E982-R1003 PolarHBondContact OE2-NE 2.88Å; E982-R1003 IonicContact OE2-NH2 3.39Å; E982-R1003 PolarHBondContact OE2-NH2 2.84Å; K1000-R1003 PolarHBondContact NZ-O 3.16Å
1004	H	81.8	Confident	87.6	Confident	165 Å²	165	48.7 Å²	48.7	76%	0.764	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.8	-174.6	-60.9	-66.8	0	0	0	113.7	D1002	D1002-H1004 PolarHBondContact O-N 3.35Å; D1002-H1004 WeakPolarHBondContact OD1-CB 3.39Å; D1002-H1004 IonicContact OD1-CD2 3.66Å; D1002-H1004 IonicContact OD1-CG 3.92Å; D1002-H1004 PolarHBondContact OD1-N 2.9Å
1005	Q	81.3	Confident	87	Confident	75 Å²	75	54 Å²	54	35%	0.35	27%	0.269	S	S	.	.	S	Bend	trans	-107.4	156.3	-179.6	-62.7	-171.1	51.9	0	0	112.2	K1000 D1002 S1049	K1000-Q1005 VanDerWaalsContact CE-O 3.22Å; K1000-Q1005 WeakPolarHBondContact CE-O 3.45Å; D1002-Q1005 HydrophobicContact CB-CB 4.17Å; D1002-Q1005 HydrophobicContact CB-CG 4.07Å; D1002-Q1005 PolarHBondContact O-N 3.44Å; D1002-Q1005 PolarHBondContact OD2-NE2 2.96Å; Q1005-S1049 PolarHBondContact OE1-O 3.4Å; Q1005-S1049 VanDerWaalsContact OE1-O 3.07Å
1006	N	85.1	Confident	86.7	Confident	144 Å²	144	57.7 Å²	57.7	77%	0.77	29%	0.288	S	S	*	.			trans	-72.2	151.4	171.1	-72.3	-31.9	0	0	0	110	D1008	N1006-D1008 PolarHBondContact O-N 3.27Å
1007	P	89.4	Confident	86.4	Confident	34 Å²	34	56.7 Å²	56.7	22%	0.221	28%	0.283	C	S	.	.			trans	-63.5	136.1	176.1	25.8	-34.4	0	0	0	111.6	R998 Y999 K1000 A1009 D1072	R998-P1007 HydrophobicContact CB-CB 4.45Å; Y999-P1007 CarbonylContact O-C 3.58Å; Y999-P1007 WeakPolarHBondContact O-CA 3.48Å; K1000-P1007 HydrophobicContact CB-CB 4.08Å; P1007-A1009 PolarHBondContact O-N 3.47Å; P1007-A1009 VanDerWaalsContact O-N 3.16Å; P1007-D1072 HydrophobicContact CG-CB 4.1Å
1008	D	91.4	Very high	86	Confident	22 Å²	22	57.2 Å²	57.2	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	104.8	163.9	-65.5	-70.5	0	0	0	108.6	R998 Y999 N1006 L1048 S1049 S1050	R998-D1008 VanDerWaalsContact CA-O 3.29Å; R998-D1008 WeakPolarHBondContact CA-O 3.26Å; Y999-D1008 PolarHBondContact N-O 3.2Å; Y999-D1008 PolarHBondContact O-N 2.98Å; N1006-D1008 PolarHBondContact O-N 3.27Å; D1008-L1048 HydrophobicContact CB-CD2 3.6Å; D1008-S1049 VanDerWaalsContact CG-N 3.32Å; D1008-S1049 WeakPolarHBondContact OD1-CB 3.38Å; D1008-S1049 PolarHBondContact OD1-N 3.05Å; D1008-S1049 PolarHBondContact OD1-OG 3Å; D1008-S1049 PolarHBondContact OD2-N 3.28Å; D1008-S1050 WeakPolarHBondContact OD2-CB 3.45Å; D1008-S1050 PolarHBondContact OD2-N 3.1Å; D1008-S1050 PolarHBondContact OD2-OG 2.97Å
1009	A	89.4	Confident	85.6	Confident	60 Å²	60	59.3 Å²	59.3	50%	0.496	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.2	179.1	0	0	0	0	0	110.7	R998 P1007	R998-A1009 HydrophobicContact CG-CB 3.78Å; P1007-A1009 PolarHBondContact O-N 3.47Å; P1007-A1009 VanDerWaalsContact O-N 3.16Å
1010	F	91.3	Very high	84.6	Confident	10 Å²	10	59.7 Å²	59.7	4%	0.044	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.5	173.3	53.9	-88.9	0	0	0	112.3	Q996 I997 Y999 F1012 V1034 V1036 V1046	Q996-F1010 WeakPolarHBondContact CA-O 2.84Å; I997-F1010 HydrophobicContact CB-CD2 4.21Å; I997-F1010 HydrophobicContact CB-CE1 4.18Å; I997-F1010 HydrophobicContact CB-CE2 3.6Å; I997-F1010 HydrophobicContact CB-CZ 3.57Å; I997-F1010 HydrophobicContact CD1-CD2 4.31Å; I997-F1010 HydrophobicContact CD1-CE2 3.87Å; I997-F1010 HydrophobicContact CG1-CE2 4.11Å; I997-F1010 HydrophobicContact CG1-CZ 4.41Å; I997-F1010 HydrophobicContact CG2-CE1 4.11Å; I997-F1010 HydrophobicContact CG2-CE2 4.11Å; I997-F1010 HydrophobicContact CG2-CZ 3.57Å; I997-F1010 PolarHBondContact N-O 3.43Å; I997-F1010 VanDerWaalsContact N-O 3.07Å; I997-F1010 PolarHBondContact O-N 2.86Å; Y999-F1010 HydrophobicContact CD2-CE1 4.4Å; F1010-F1012 HydrophobicContact CD2-CE2 4.23Å; F1010-F1012 HydrophobicContact CE2-CE2 4.32Å; F1010-V1034 HydrophobicContact CZ-CB 4.42Å; F1010-V1034 HydrophobicContact CZ-CG1 3.88Å; F1010-V1036 HydrophobicContact CE2-CB 4.31Å; F1010-V1036 HydrophobicContact CE2-CG2 3.53Å; F1010-V1036 HydrophobicContact CZ-CG2 3.85Å; F1010-V1046 HydrophobicContact CB-CG2 4.11Å; F1010-V1046 HydrophobicContact CD1-CB 4.17Å; F1010-V1046 HydrophobicContact CD1-CG1 3.96Å; F1010-V1046 HydrophobicContact CD1-CG2 3.99Å; F1010-V1046 HydrophobicContact CD2-CG2 3.95Å; F1010-V1046 HydrophobicContact CE1-CB 4.3Å; F1010-V1046 HydrophobicContact CE1-CG1 4.38Å; F1010-V1046 HydrophobicContact CE1-CG2 4.38Å; F1010-V1046 HydrophobicContact CE2-CG2 4.32Å; F1010-V1046 HydrophobicContact CG-CB 4.45Å; F1010-V1046 HydrophobicContact CG-CG1 4.44Å; F1010-V1046 HydrophobicContact CG-CG2 3.76Å
1011	T	89.1	Confident	83.9	Confident	36 Å²	36	63.8 Å²	63.8	22%	0.221	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.8	-171.7	-46.1	0	0	0	0	112	S994 Q996 D1013 K1044	S994-T1011 WeakPolarHBondContact OG-CG2 3.22Å; Q996-T1011 HydrophobicContact CG-CG2 3.55Å; T1011-D1013 WeakPolarHBondContact CG2-OD1 3.19Å; T1011-D1013 WeakPolarHBondContact CG2-OD2 3.23Å; T1011-K1044 PolarHBondContact O-NZ 3.49Å
1012	F	87.5	Confident	83.1	Confident	11 Å²	11	66.8 Å²	66.8	5%	0.048	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	96.6	167	-73.8	-92.5	0	0	0	109.5	L995 I997 F1010 F1014 M1017 V1036 V1038 A1042 K1044	L995-F1012 HydrophobicContact CB-CB 4.4Å; L995-F1012 PolarHBondContact O-N 2.84Å; I997-F1012 HydrophobicContact CD1-CD2 3.92Å; I997-F1012 HydrophobicContact CD1-CE2 3.77Å; F1010-F1012 HydrophobicContact CD2-CE2 4.23Å; F1010-F1012 HydrophobicContact CE2-CE2 4.32Å; F1012-F1014 HydrophobicContact CB-CD1 4Å; F1012-F1014 HydrophobicContact CB-CE1 3.75Å; F1012-F1014 HydrophobicContact CD1-CD1 4.12Å; F1012-F1014 AromaticContact CD1-CE1 3.65Å; F1012-F1014 HydrophobicContact CD1-CE1 3.65Å; F1012-F1014 HydrophobicContact CG-CE1 4.13Å; F1012-M1017 HydrophobicContact CB-CE 4.17Å; F1012-V1036 HydrophobicContact CE2-CB 3.89Å; F1012-V1036 HydrophobicContact CE2-CG1 3.6Å; F1012-V1036 HydrophobicContact CZ-CB 3.74Å; F1012-V1036 HydrophobicContact CZ-CG1 3.66Å; F1012-V1038 HydrophobicContact CD1-CG2 4.42Å; F1012-V1038 HydrophobicContact CE1-CG2 4.32Å; F1012-V1038 HydrophobicContact CG-CG2 4.5Å; F1012-V1038 HydrophobicContact CZ-CG2 4.38Å; F1012-A1042 HydrophobicContact CD1-CB 4.49Å; F1012-A1042 HydrophobicContact CE1-CB 4.49Å; F1012-K1044 HydrophobicContact CE1-CB 3.57Å; F1012-K1044 HydrophobicContact CE1-CD 4.26Å; F1012-K1044 HydrophobicContact CE2-CB 4.24Å; F1012-K1044 HydrophobicContact CE2-CD 4.33Å; F1012-K1044 HydrophobicContact CZ-CB 3.32Å; F1012-K1044 HydrophobicContact CZ-CD 4.08Å; F1012-K1044 HydrophobicContact CZ-CG 4.35Å
1013	D	76.4	Confident	82.9	Confident	109 Å²	109	64.9 Å²	64.9	58%	0.583	33%	0.328	S	S	*	.			trans	-96.4	17.5	-173.1	-68.2	-57	0	0	0	114.3	S994 T1011 K1015	S994-D1013 WeakPolarHBondContact CB-OD1 3.28Å; T1011-D1013 WeakPolarHBondContact CG2-OD1 3.19Å; T1011-D1013 WeakPolarHBondContact CG2-OD2 3.23Å; D1013-K1015 PolarHBondContact O-N 2.85Å
1014	F	72.3	Confident	82.9	Confident	106 Å²	106	62.1 Å²	62.1	47%	0.465	32%	0.321	S	S	.	.	S	Bend	trans	-78.2	-18.1	-174	62	-97.7	0	0	0	114	F1012 M1017 V1038 A1042	F1012-F1014 HydrophobicContact CB-CD1 4Å; F1012-F1014 HydrophobicContact CB-CE1 3.75Å; F1012-F1014 HydrophobicContact CD1-CD1 4.12Å; F1012-F1014 AromaticContact CD1-CE1 3.65Å; F1012-F1014 HydrophobicContact CD1-CE1 3.65Å; F1012-F1014 HydrophobicContact CG-CE1 4.13Å; F1014-M1017 HydrophobicContact CD1-CE 4.46Å; F1014-M1017 HydrophobicContact CE1-CE 3.61Å; F1014-M1017 HydrophobicContact CE2-CE 3.85Å; F1014-M1017 HydrophobicContact CZ-CE 3.26Å; F1014-V1038 HydrophobicContact CZ-CB 4.25Å; F1014-V1038 HydrophobicContact CZ-CG1 4.12Å; F1014-A1042 HydrophobicContact CD1-CB 4.07Å; F1014-A1042 HydrophobicContact CE1-CB 3.36Å; F1014-A1042 HydrophobicContact CE2-CB 4.39Å; F1014-A1042 HydrophobicContact CZ-CB 3.54Å
1015	K	77.6	Confident	83	Confident	115 Å²	115	54.3 Å²	54.3	50%	0.5	29%	0.285	S	S	.	.	S	Bend	trans	-165.4	150.7	177.7	-162.4	-176.8	178.8	-152.8	0	111.1	D1013 M1017 D1019	D1013-K1015 PolarHBondContact O-N 2.85Å; K1015-M1017 PolarHBondContact O-N 2.88Å; K1015-D1019 WeakPolarHBondContact CE-OD2 3.36Å; K1015-D1019 IonicContact NZ-OD2 2.77Å; K1015-D1019 PolarHBondContact NZ-OD2 2.98Å
1016	N	85.9	Confident	83.1	Confident	77 Å²	77	54.6 Å²	54.6	41%	0.412	29%	0.285	S	S	.	.			trans	-67.8	116.8	164.6	179.5	-12.2	0	0	0	109.3	G993 A1018	G993-N1016 WeakPolarHBondContact CA-OD1 3.44Å; N1016-A1018 WeakPolarHBondContact OD1-CA 3.47Å; N1016-A1018 WeakPolarHBondContact OD1-CB 3.46Å; N1016-A1018 PolarHBondContact OD1-N 3.2Å
1017	M	87.7	Confident	83.4	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.015	25%	0.249	C	C	.	.	S	Bend	trans	-94.3	3.6	-178.4	-61.8	-168.8	-161.4	0	0	113.7	F965 L989 G993 L995 F1012 F1014 K1015 D1019 H1023 V1038	F965-M1017 HydrophobicContact CE2-CB 4.36Å; F965-M1017 WeakPolarHBondContact CE2-O 3.37Å; F965-M1017 HydrophobicContact CZ-CB 4.04Å; F965-M1017 HydrophobicContact CZ-SD 4.43Å; L989-M1017 HydrophobicContact CD2-CB 3.98Å; G993-M1017 PolarHBondContact O-N 2.79Å; L995-M1017 HydrophobicContact CB-CE 3.86Å; L995-M1017 HydrophobicContact CB-SD 3.6Å; L995-M1017 VanDerWaalsContact CB-SD 3.6Å; L995-M1017 HydrophobicContact CD2-CE 4.47Å; L995-M1017 HydrophobicContact CD2-SD 4.14Å; L995-M1017 HydrophobicContact CG-SD 4.41Å; F1012-M1017 HydrophobicContact CB-CE 4.17Å; F1014-M1017 HydrophobicContact CD1-CE 4.46Å; F1014-M1017 HydrophobicContact CE1-CE 3.61Å; F1014-M1017 HydrophobicContact CE2-CE 3.85Å; F1014-M1017 HydrophobicContact CZ-CE 3.26Å; K1015-M1017 PolarHBondContact O-N 2.88Å; M1017-D1019 PolarHBondContact O-N 3.5Å; M1017-H1023 WeakPolarHBondContact CA-NE2 3.43Å; M1017-H1023 PolarHBondContact O-CD2 2.79Å; M1017-H1023 PolarHBondContact O-NE2 3.28Å; M1017-V1038 HydrophobicContact CE-CG1 3.92Å; M1017-V1038 HydrophobicContact SD-CG1 4.02Å
1018	A	86.3	Confident	83.4	Confident	11 Å²	11	48.3 Å²	48.3	9%	0.091	25%	0.249	C	C	.	.			trans	-94.2	42.6	165.4	0	0	0	0	0	110.4	T967 T968 T970 L989 N1016 G1020	T967-A1018 HydrophobicContact CG2-CB 4.36Å; T967-A1018 CarbonylContact O-C 3.44Å; T967-A1018 VanDerWaalsContact O-CA 3.26Å; T967-A1018 WeakPolarHBondContact O-CA 3.28Å; T968-A1018 WeakPolarHBondContact CA-O 3.09Å; T970-A1018 HydrophobicContact CG2-CB 3.3Å; L989-A1018 HydrophobicContact CD1-CB 4.2Å; N1016-A1018 WeakPolarHBondContact OD1-CA 3.47Å; N1016-A1018 WeakPolarHBondContact OD1-CB 3.46Å; N1016-A1018 PolarHBondContact OD1-N 3.2Å; A1018-G1020 VanDerWaalsContact C-N 3.31Å
1019	D	84.5	Confident	83.4	Confident	53 Å²	53	47.2 Å²	47.2	28%	0.283	24%	0.244	S	C	.	.	S	Bend	trans	-89.6	2.8	-177.4	65.6	3.5	0	0	0	112.9	K1015 M1017 Q1021 H1023	K1015-D1019 WeakPolarHBondContact CE-OD2 3.36Å; K1015-D1019 IonicContact NZ-OD2 2.77Å; K1015-D1019 PolarHBondContact NZ-OD2 2.98Å; M1017-D1019 PolarHBondContact O-N 3.5Å; D1019-Q1021 PolarHBondContact O-N 3.37Å; D1019-Q1021 WeakPolarHBondContact OD1-CA 3.42Å; D1019-Q1021 WeakPolarHBondContact OD1-CB 3.09Å; D1019-Q1021 PolarHBondContact OD1-N 2.81Å; D1019-H1023 IonicContact OD1-CE1 3.93Å; D1019-H1023 IonicContact OD1-NE2 3.57Å; D1019-H1023 PolarHBondContact OD1-NE2 3.23Å; D1019-H1023 VanDerWaalsContact OD1-NE2 3.08Å; D1019-H1023 IonicContact OD2-CE1 2.8Å; D1019-H1023 IonicContact OD2-NE2 2.69Å
1020	G	73.1	Confident	83.3	Confident	8 Å²	8	50.2 Å²	50.2	8%	0.082	25%	0.248	C	C	.	.	S	Bend	trans	72.9	11.7	-176.1	0	0	0	0	0	114.1	R966 T967 A1018	R966-G1020 WeakPolarHBondContact CG-O 3.24Å; R966-G1020 PolarHBondContact NE-O 2.77Å; R966-G1020 PolarHBondContact NH2-O 2.88Å; T967-G1020 WeakPolarHBondContact O-CA 3.49Å; T967-G1020 PolarHBondContact O-N 2.81Å; A1018-G1020 VanDerWaalsContact C-N 3.31Å
1021	Q	76.5	Confident	83.2	Confident	112 Å²	112	56 Å²	56	52%	0.523	27%	0.274	S	S	.	.	S	Bend	trans	-92.9	166.5	168.5	-58.6	-65	-25	0	0	110.8	R966 D1019	R966-Q1021 WeakPolarHBondContact CA-O 3.33Å; D1019-Q1021 PolarHBondContact O-N 3.37Å; D1019-Q1021 WeakPolarHBondContact OD1-CA 3.42Å; D1019-Q1021 WeakPolarHBondContact OD1-CB 3.09Å; D1019-Q1021 PolarHBondContact OD1-N 2.81Å
1022	L	74.4	Confident	83.2	Confident	68 Å²	68	55.1 Å²	55.1	36%	0.356	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	134.1	173.7	-174.8	71.6	0	0	0	110	E799 R966	E799-L1022 VanDerWaalsContact OE1-CD2 3.23Å; E799-L1022 WeakPolarHBondContact OE1-CD2 3.48Å; E799-L1022 WeakPolarHBondContact OE2-CD2 3.48Å; R966-L1022 HydrophobicContact CB-CD1 4.4Å
1023	H	79.3	Confident	83.4	Confident	9 Å²	9	56.9 Å²	56.9	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.3	173.6	-61.5	-44.8	0	0	0	111.1	S964 F965 M1017 D1019 N1039	S964-H1023 CarbonylContact C-O 3.57Å; S964-H1023 WeakPolarHBondContact CA-O 3.43Å; F965-H1023 HydrophobicContact CD1-CB 4.28Å; F965-H1023 HydrophobicContact CE1-CB 3.78Å; F965-H1023 HydrophobicContact CE2-CB 4.29Å; F965-H1023 AromaticContact CE2-CD2 3.97Å; F965-H1023 HydrophobicContact CZ-CB 3.78Å; F965-H1023 AromaticContact CZ-CD2 3.97Å; F965-H1023 PolarHBondContact N-O 3.1Å; F965-H1023 PolarHBondContact O-N 3.11Å; M1017-H1023 WeakPolarHBondContact CA-NE2 3.43Å; M1017-H1023 PolarHBondContact O-CD2 2.79Å; M1017-H1023 PolarHBondContact O-NE2 3.28Å; D1019-H1023 IonicContact OD1-CE1 3.93Å; D1019-H1023 IonicContact OD1-NE2 3.57Å; D1019-H1023 PolarHBondContact OD1-NE2 3.23Å; D1019-H1023 VanDerWaalsContact OD1-NE2 3.08Å; D1019-H1023 IonicContact OD2-CE1 2.8Å; D1019-H1023 IonicContact OD2-NE2 2.69Å; H1023-N1039 VanDerWaalsContact CA-OD1 3.23Å; H1023-N1039 WeakPolarHBondContact CA-OD1 3.46Å; H1023-N1039 PolarHBondContact ND1-ND2 3.04Å; H1023-N1039 VanDerWaalsContact ND1-ND2 3.15Å
1024	Q	80.3	Confident	84.2	Confident	76 Å²	76	51.7 Å²	51.7	36%	0.355	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.7	176.1	-172.5	179.2	24.4	0	0	109.9	V1038 N1039	Q1024-V1038 WeakPolarHBondContact O-CA 3.33Å; Q1024-N1039 PolarHBondContact N-OD1 2.94Å; Q1024-N1039 PolarHBondContact O-N 3.19Å
1025	V	84.5	Confident	85	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.8	177.8	-176.2	0	0	0	0	108.8	T962 L963 F965 L995 I1027 V1036 V1038	T962-V1025 WeakPolarHBondContact CA-O 3.46Å; L963-V1025 HydrophobicContact CD1-CB 4.16Å; L963-V1025 HydrophobicContact CD1-CG2 4.32Å; L963-V1025 HydrophobicContact CG-CB 4.32Å; L963-V1025 PolarHBondContact N-O 3.17Å; L963-V1025 PolarHBondContact O-N 3.01Å; F965-V1025 HydrophobicContact CD1-CG2 4.35Å; F965-V1025 HydrophobicContact CE1-CG2 3.76Å; L995-V1025 HydrophobicContact CD1-CG2 4.48Å; L995-V1025 HydrophobicContact CD2-CG1 4.07Å; L995-V1025 HydrophobicContact CD2-CG2 3.62Å; V1025-I1027 HydrophobicContact CG1-CD1 4.31Å; V1025-I1027 HydrophobicContact CG1-CG1 4.04Å; V1025-V1036 HydrophobicContact CG1-CG1 4.25Å; V1025-V1038 HydrophobicContact CG2-CG1 4.5Å; V1025-V1038 HydrophobicContact CG2-CG2 4.49Å
1026	K	82.3	Confident	85.7	Confident	82 Å²	82	45 Å²	45	36%	0.357	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.6	172.7	-178.6	175.3	-178.4	-177.4	0	108.9	I961 T962 V1036 E1037	I961-K1026 CarbonylContact O-C 3.58Å; I961-K1026 WeakPolarHBondContact O-CA 3.39Å; T962-K1026 HydrophobicContact CG2-CB 4.47Å; T962-K1026 HydrophobicContact CG2-CG 4.12Å; K1026-V1036 CarbonylContact O-C 3.52Å; K1026-V1036 WeakPolarHBondContact O-CA 3.32Å; K1026-E1037 HydrophobicContact CB-CB 4.36Å; K1026-E1037 PolarHBondContact N-O 3.38Å; K1026-E1037 PolarHBondContact O-N 2.9Å
1027	I	92.2	Very high	85.8	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.2	178	-54.6	169.9	0	0	0	106.5	M960 I961 V987 I997 Y999 V1025 V1034 M1035 V1036	M960-I1027 CarbonylContact C-O 3.6Å; M960-I1027 WeakPolarHBondContact CA-O 3.38Å; I961-I1027 HydrophobicContact CB-CB 4.14Å; I961-I1027 PolarHBondContact N-O 2.88Å; I961-I1027 PolarHBondContact O-N 3.32Å; V987-I1027 HydrophobicContact CG2-CD1 3.72Å; I997-I1027 HydrophobicContact CG1-CD1 3.92Å; I997-I1027 HydrophobicContact CG2-CD1 4.12Å; Y999-I1027 HydrophobicContact CE2-CG2 4.47Å; V1025-I1027 HydrophobicContact CG1-CD1 4.31Å; V1025-I1027 HydrophobicContact CG1-CG1 4.04Å; I1027-V1034 HydrophobicContact CG2-CG1 3.73Å; I1027-M1035 CarbonylContact C-O 3.58Å; I1027-M1035 WeakPolarHBondContact CA-O 3.27Å; I1027-V1036 HydrophobicContact CB-CG2 4.28Å; I1027-V1036 HydrophobicContact CG1-CG1 4.11Å; I1027-V1036 HydrophobicContact CG1-CG2 3.91Å; I1027-V1036 HydrophobicContact CG2-CG2 3.99Å
1028	N	88.8	Confident	85.6	Confident	44 Å²	44	43.4 Å²	43.4	24%	0.235	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.2	173.1	-169.8	56.6	0	0	0	108.2	M1035	N1028-M1035 HydrophobicContact CB-CB 4.44Å; N1028-M1035 PolarHBondContact N-O 3.46Å; N1028-M1035 PolarHBondContact O-N 2.73Å
1029	R	91.8	Very high	85.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.9	173.9	-173	179.6	70.7	92.1	1.6	110.2	L956 R958 E959 E1031 V1033 V1034 T1052	L956-R1029 PolarHBondContact O-NH2 2.87Å; R958-R1029 WeakPolarHBondContact CA-O 3.4Å; R958-R1029 WeakPolarHBondContact CB-O 3.3Å; E959-R1029 PolarHBondContact N-O 3.44Å; E959-R1029 PolarHBondContact O-N 3.43Å; E959-R1029 VanDerWaalsContact OE1-CB 3.31Å; E959-R1029 WeakPolarHBondContact OE1-CB 3.29Å; E959-R1029 WeakPolarHBondContact OE1-CD 3.4Å; E959-R1029 IonicContact OE1-CZ 3.68Å; E959-R1029 IonicContact OE1-NE 3.84Å; E959-R1029 PolarHBondContact OE1-NE 3.35Å; E959-R1029 IonicContact OE1-NH2 3.88Å; E959-R1029 IonicContact OE2-CZ 3.97Å; E959-R1029 IonicContact OE2-NE 3.18Å; E959-R1029 PolarHBondContact OE2-NE 3Å; E959-R1029 IonicContact OE2-NH2 3.77Å; E959-R1029 PolarHBondContact OE2-NH2 3.43Å; R1029-E1031 WeakPolarHBondContact CD-O 3.38Å; R1029-E1031 VanDerWaalsContact CG-O 3.31Å; R1029-E1031 WeakPolarHBondContact CG-O 3.23Å; R1029-E1031 PolarHBondContact NH1-O 2.98Å; R1029-V1033 CarbonylContact C-O 3.49Å; R1029-V1033 VanDerWaalsContact CA-O 3.3Å; R1029-V1033 WeakPolarHBondContact CA-O 3.46Å; R1029-V1034 HydrophobicContact CB-CG2 4.01Å; R1029-V1034 HydrophobicContact CG-CG2 3.63Å; R1029-T1052 PolarHBondContact NH1-O 3.41Å
1030	E	87.9	Confident	84.2	Confident	123 Å²	123	49.5 Å²	49.5	58%	0.575	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	112	167.2	-71	-179.1	-171.8	0	0	108	R958 A1032 V1033	R958-E1030 HydrophobicContact CB-CG 4.49Å; E1030-A1032 PolarHBondContact O-N 2.05Å; E1030-V1033 PolarHBondContact N-O 3.07Å; E1030-V1033 PolarHBondContact O-N 3.32Å
1031	E	89.3	Confident	83.9	Confident	130 Å²	130	53.6 Å²	53.6	61%	0.607	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-122.6	-172.7	-57.2	-179.4	175.4	0	0	111.3	T957 R1029 V1033 T1052	T957-E1031 WeakPolarHBondContact O-CA 3.25Å; T957-E1031 PolarHBondContact O-N 2.77Å; R1029-E1031 WeakPolarHBondContact CD-O 3.38Å; R1029-E1031 VanDerWaalsContact CG-O 3.31Å; R1029-E1031 WeakPolarHBondContact CG-O 3.23Å; R1029-E1031 PolarHBondContact NH1-O 2.98Å; E1031-V1033 VanDerWaalsContact C-N 3.32Å; E1031-T1052 HydrophobicContact CB-CG2 4.26Å
1032	A	88.6	Confident	84.1	Confident	19 Å²	19	49.2 Å²	49.2	16%	0.157	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.9	176.8	0	0	0	0	0	113.2	E1030 I1047 L1048 T1052	E1030-A1032 PolarHBondContact O-N 2.05Å; A1032-I1047 HydrophobicContact CB-CG2 4.08Å; A1032-I1047 CarbonylContact O-C 3.6Å; A1032-I1047 WeakPolarHBondContact O-CA 3.23Å; A1032-L1048 HydrophobicContact CB-CB 4.46Å; A1032-L1048 WeakPolarHBondContact O-CG 3.05Å; A1032-L1048 PolarHBondContact O-N 3.41Å; A1032-T1052 HydrophobicContact CB-CG2 3.98Å
1033	V	91	Very high	84.7	Confident	48 Å²	48	52.6 Å²	52.6	29%	0.291	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.5	-172.9	-174.8	0	0	0	0	110.6	R1029 E1030 E1031 Q1045 I1047	R1029-V1033 CarbonylContact C-O 3.49Å; R1029-V1033 VanDerWaalsContact CA-O 3.3Å; R1029-V1033 WeakPolarHBondContact CA-O 3.46Å; E1030-V1033 PolarHBondContact N-O 3.07Å; E1030-V1033 PolarHBondContact O-N 3.32Å; E1031-V1033 VanDerWaalsContact C-N 3.32Å; V1033-Q1045 HydrophobicContact CG1-CG 4Å; V1033-Q1045 VanDerWaalsContact CG1-NE2 3.27Å; V1033-I1047 HydrophobicContact CG2-CG1 4.48Å
1034	V	93.3	Very high	85.1	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.1	175.5	-174.4	0	0	0	0	110.3	Y999 F1010 I1027 R1029 V1036 Q1045 V1046 L1048	Y999-V1034 HydrophobicContact CD2-CG2 4.27Å; Y999-V1034 HydrophobicContact CE2-CG1 4.14Å; Y999-V1034 HydrophobicContact CE2-CG2 3.99Å; F1010-V1034 HydrophobicContact CZ-CB 4.42Å; F1010-V1034 HydrophobicContact CZ-CG1 3.88Å; I1027-V1034 HydrophobicContact CG2-CG1 3.73Å; R1029-V1034 HydrophobicContact CB-CG2 4.01Å; R1029-V1034 HydrophobicContact CG-CG2 3.63Å; V1034-V1036 HydrophobicContact CG1-CG2 3.79Å; V1034-Q1045 CarbonylContact O-C 3.43Å; V1034-Q1045 WeakPolarHBondContact O-CA 3.29Å; V1034-V1046 PolarHBondContact N-O 3.45Å; V1034-V1046 PolarHBondContact O-N 2.87Å; V1034-L1048 HydrophobicContact CG2-CD1 3.64Å; V1034-L1048 HydrophobicContact CG2-CD2 3.88Å; V1034-L1048 HydrophobicContact CG2-CG 3.68Å
1035	M	90.9	Very high	85.6	Confident	77 Å²	77	58.3 Å²	58.3	38%	0.379	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.8	171	-65.1	-64.9	-69.6	0	0	109.3	I1027 N1028 Q1045	I1027-M1035 CarbonylContact C-O 3.58Å; I1027-M1035 WeakPolarHBondContact CA-O 3.27Å; N1028-M1035 HydrophobicContact CB-CB 4.44Å; N1028-M1035 PolarHBondContact N-O 3.46Å; N1028-M1035 PolarHBondContact O-N 2.73Å; M1035-Q1045 HydrophobicContact CE-CB 4.33Å; M1035-Q1045 HydrophobicContact SD-CB 3.39Å; M1035-Q1045 WeakPolarHBondContact SD-CB 3.49Å; M1035-Q1045 HydrophobicContact SD-CG 3.29Å; M1035-Q1045 WeakPolarHBondContact SD-CG 3.02Å
1036	V	90.6	Very high	85.9	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.2	175.1	-177	0	0	0	0	110.7	I997 F1010 F1012 V1025 K1026 I1027 V1034 V1038 K1043 K1044	I997-V1036 HydrophobicContact CD1-CG1 4.01Å; I997-V1036 HydrophobicContact CD1-CG2 4.48Å; F1010-V1036 HydrophobicContact CE2-CB 4.31Å; F1010-V1036 HydrophobicContact CE2-CG2 3.53Å; F1010-V1036 HydrophobicContact CZ-CG2 3.85Å; F1012-V1036 HydrophobicContact CE2-CB 3.89Å; F1012-V1036 HydrophobicContact CE2-CG1 3.6Å; F1012-V1036 HydrophobicContact CZ-CB 3.74Å; F1012-V1036 HydrophobicContact CZ-CG1 3.66Å; V1025-V1036 HydrophobicContact CG1-CG1 4.25Å; K1026-V1036 CarbonylContact O-C 3.52Å; K1026-V1036 WeakPolarHBondContact O-CA 3.32Å; I1027-V1036 HydrophobicContact CB-CG2 4.28Å; I1027-V1036 HydrophobicContact CG1-CG1 4.11Å; I1027-V1036 HydrophobicContact CG1-CG2 3.91Å; I1027-V1036 HydrophobicContact CG2-CG2 3.99Å; V1034-V1036 HydrophobicContact CG1-CG2 3.79Å; V1036-V1038 HydrophobicContact CG1-CG2 4.31Å; V1036-K1043 CarbonylContact O-C 3.52Å; V1036-K1043 VanDerWaalsContact O-CA 3.31Å; V1036-K1043 WeakPolarHBondContact O-CA 3.25Å; V1036-K1044 PolarHBondContact N-O 3.38Å; V1036-K1044 PolarHBondContact O-N 3.29Å
1037	E	87.8	Confident	86.3	Confident	46 Å²	46	61.7 Å²	61.7	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.5	177.6	177	171.4	-151.9	0	0	109.4	K1026 Q1040 A1042 K1043	K1026-E1037 HydrophobicContact CB-CB 4.36Å; K1026-E1037 PolarHBondContact N-O 3.38Å; K1026-E1037 PolarHBondContact O-N 2.9Å; E1037-Q1040 WeakPolarHBondContact OE1-CA 3.45Å; E1037-A1042 CarbonylContact C-O 3.57Å; E1037-A1042 WeakPolarHBondContact CA-O 3.42Å; E1037-K1043 HydrophobicContact CB-CG 4.32Å; E1037-K1043 HydrophobicContact CG-CG 4.19Å; E1037-K1043 WeakPolarHBondContact OE1-CE 3.46Å; E1037-K1043 IonicContact OE1-NZ 2.85Å; E1037-K1043 PolarHBondContact OE1-NZ 3.21Å; E1037-K1043 VanDerWaalsContact OE1-NZ 3.15Å
1038	V	83.8	Confident	86.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.8	177.1	-173.7	0	0	0	0	109.3	L995 F1012 F1014 M1017 Q1024 V1025 V1036 Q1040 S1041 A1042	L995-V1038 HydrophobicContact CD2-CG2 3.69Å; F1012-V1038 HydrophobicContact CD1-CG2 4.42Å; F1012-V1038 HydrophobicContact CE1-CG2 4.32Å; F1012-V1038 HydrophobicContact CG-CG2 4.5Å; F1012-V1038 HydrophobicContact CZ-CG2 4.38Å; F1014-V1038 HydrophobicContact CZ-CB 4.25Å; F1014-V1038 HydrophobicContact CZ-CG1 4.12Å; M1017-V1038 HydrophobicContact CE-CG1 3.92Å; M1017-V1038 HydrophobicContact SD-CG1 4.02Å; Q1024-V1038 WeakPolarHBondContact O-CA 3.33Å; V1025-V1038 HydrophobicContact CG2-CG1 4.5Å; V1025-V1038 HydrophobicContact CG2-CG2 4.49Å; V1036-V1038 HydrophobicContact CG1-CG2 4.31Å; V1038-Q1040 PolarHBondContact O-N 3.37Å; V1038-S1041 PolarHBondContact O-N 3.05Å; V1038-S1041 VanDerWaalsContact O-N 3.17Å; V1038-A1042 HydrophobicContact CB-CB 4.36Å; V1038-A1042 PolarHBondContact N-O 3.04Å; V1038-A1042 PolarHBondContact O-N 3.06Å; V1038-A1042 VanDerWaalsContact O-N 3.11Å
1039	N	76.4	Confident	86	Confident	57 Å²	57	64 Å²	64	31%	0.305	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	36.2	178.8	-57.8	-28.2	0	0	0	114	H1023 Q1024 S1041	H1023-N1039 VanDerWaalsContact CA-OD1 3.23Å; H1023-N1039 WeakPolarHBondContact CA-OD1 3.46Å; H1023-N1039 PolarHBondContact ND1-ND2 3.04Å; H1023-N1039 VanDerWaalsContact ND1-ND2 3.15Å; Q1024-N1039 PolarHBondContact N-OD1 2.94Å; Q1024-N1039 PolarHBondContact O-N 3.19Å; N1039-S1041 PolarHBondContact O-N 2.82Å; N1039-S1041 PolarHBondContact O-OG 3.17Å
1040	Q	66.6	Low	85.3	Confident	136 Å²	136	64.1 Å²	64.1	64%	0.636	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	9.7	179.1	-54.2	176.8	10	0	0	115.8	E1037 V1038	E1037-Q1040 WeakPolarHBondContact OE1-CA 3.45Å; V1038-Q1040 PolarHBondContact O-N 3.37Å
1041	S	66.8	Low	85.1	Confident	94 Å²	94	59.5 Å²	59.5	66%	0.657	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	-40.1	-169.9	45.6	0	0	0	0	112.8	V1038 N1039	V1038-S1041 PolarHBondContact O-N 3.05Å; V1038-S1041 VanDerWaalsContact O-N 3.17Å; N1039-S1041 PolarHBondContact O-N 2.82Å; N1039-S1041 PolarHBondContact O-OG 3.17Å
1042	A	79.9	Confident	85	Confident	19 Å²	19	56.4 Å²	56.4	16%	0.157	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.7	176.8	0	0	0	0	0	110.5	F1012 F1014 E1037 V1038	F1012-A1042 HydrophobicContact CD1-CB 4.49Å; F1012-A1042 HydrophobicContact CE1-CB 4.49Å; F1014-A1042 HydrophobicContact CD1-CB 4.07Å; F1014-A1042 HydrophobicContact CE1-CB 3.36Å; F1014-A1042 HydrophobicContact CE2-CB 4.39Å; F1014-A1042 HydrophobicContact CZ-CB 3.54Å; E1037-A1042 CarbonylContact C-O 3.57Å; E1037-A1042 WeakPolarHBondContact CA-O 3.42Å; V1038-A1042 HydrophobicContact CB-CB 4.36Å; V1038-A1042 PolarHBondContact N-O 3.04Å; V1038-A1042 PolarHBondContact O-N 3.06Å; V1038-A1042 VanDerWaalsContact O-N 3.11Å
1043	K	87	Confident	84.9	Confident	140 Å²	140	59.8 Å²	59.8	61%	0.609	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	139	177.7	-61.9	-175.4	-176.6	-165.7	0	110.6	V1036 E1037	V1036-K1043 CarbonylContact O-C 3.52Å; V1036-K1043 VanDerWaalsContact O-CA 3.31Å; V1036-K1043 WeakPolarHBondContact O-CA 3.25Å; E1037-K1043 HydrophobicContact CB-CG 4.32Å; E1037-K1043 HydrophobicContact CG-CG 4.19Å; E1037-K1043 WeakPolarHBondContact OE1-CE 3.46Å; E1037-K1043 IonicContact OE1-NZ 2.85Å; E1037-K1043 PolarHBondContact OE1-NZ 3.21Å; E1037-K1043 VanDerWaalsContact OE1-NZ 3.15Å
1044	K	87.3	Confident	84.8	Confident	80 Å²	80	57.5 Å²	57.5	35%	0.348	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	132.6	174.9	-159.4	175.5	-170.7	178.4	0	109.7	T1011 F1012 V1036 V1046	T1011-K1044 PolarHBondContact O-NZ 3.49Å; F1012-K1044 HydrophobicContact CE1-CB 3.57Å; F1012-K1044 HydrophobicContact CE1-CD 4.26Å; F1012-K1044 HydrophobicContact CE2-CB 4.24Å; F1012-K1044 HydrophobicContact CE2-CD 4.33Å; F1012-K1044 HydrophobicContact CZ-CB 3.32Å; F1012-K1044 HydrophobicContact CZ-CD 4.08Å; F1012-K1044 HydrophobicContact CZ-CG 4.35Å; V1036-K1044 PolarHBondContact N-O 3.38Å; V1036-K1044 PolarHBondContact O-N 3.29Å; K1044-V1046 HydrophobicContact CD-CG2 4.4Å; K1044-V1046 HydrophobicContact CG-CG2 4.19Å
1045	Q	91.3	Very high	84.3	Confident	124 Å²	124	59.3 Å²	59.3	58%	0.579	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	133	172	-175.2	167.6	7.7	0	0	108.6	V1033 V1034 M1035	V1033-Q1045 HydrophobicContact CG1-CG 4Å; V1033-Q1045 VanDerWaalsContact CG1-NE2 3.27Å; V1034-Q1045 CarbonylContact O-C 3.43Å; V1034-Q1045 WeakPolarHBondContact O-CA 3.29Å; M1035-Q1045 HydrophobicContact CE-CB 4.33Å; M1035-Q1045 HydrophobicContact SD-CB 3.39Å; M1035-Q1045 WeakPolarHBondContact SD-CB 3.49Å; M1035-Q1045 HydrophobicContact SD-CG 3.29Å; M1035-Q1045 WeakPolarHBondContact SD-CG 3.02Å
1046	V	90.1	Very high	83.9	Confident	30 Å²	30	55.7 Å²	55.7	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.9	179.6	-175.6	0	0	0	0	108.7	F1010 V1034 K1044	F1010-V1046 HydrophobicContact CB-CG2 4.11Å; F1010-V1046 HydrophobicContact CD1-CB 4.17Å; F1010-V1046 HydrophobicContact CD1-CG1 3.96Å; F1010-V1046 HydrophobicContact CD1-CG2 3.99Å; F1010-V1046 HydrophobicContact CD2-CG2 3.95Å; F1010-V1046 HydrophobicContact CE1-CB 4.3Å; F1010-V1046 HydrophobicContact CE1-CG1 4.38Å; F1010-V1046 HydrophobicContact CE1-CG2 4.38Å; F1010-V1046 HydrophobicContact CE2-CG2 4.32Å; F1010-V1046 HydrophobicContact CG-CB 4.45Å; F1010-V1046 HydrophobicContact CG-CG1 4.44Å; F1010-V1046 HydrophobicContact CG-CG2 3.76Å; V1034-V1046 PolarHBondContact N-O 3.45Å; V1034-V1046 PolarHBondContact O-N 2.87Å; K1044-V1046 HydrophobicContact CD-CG2 4.4Å; K1044-V1046 HydrophobicContact CG-CG2 4.19Å
1047	I	90.3	Very high	83.6	Confident	125 Å²	125	55.6 Å²	55.6	64%	0.641	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.9	172.8	-56.6	175.1	0	0	0	107	A1032 V1033	A1032-I1047 HydrophobicContact CB-CG2 4.08Å; A1032-I1047 CarbonylContact O-C 3.6Å; A1032-I1047 WeakPolarHBondContact O-CA 3.23Å; V1033-I1047 HydrophobicContact CG2-CG1 4.48Å
1048	L	90.1	Very high	83.4	Confident	9 Å²	9	57.2 Å²	57.2	5%	0.047	31%	0.306	C	S	.	.			trans	-73.8	132.5	-179.1	-60.1	-178.9	0	0	0	110.4	Y999 L1001 D1008 A1032 V1034	Y999-L1048 HydrophobicContact CD1-CD1 4.01Å; Y999-L1048 HydrophobicContact CD2-CD1 4.32Å; Y999-L1048 HydrophobicContact CD2-CD2 4.18Å; Y999-L1048 HydrophobicContact CG-CD1 3.83Å; Y999-L1048 HydrophobicContact CG-CD2 4.15Å; L1001-L1048 HydrophobicContact CD1-CD1 3.66Å; D1008-L1048 HydrophobicContact CB-CD2 3.6Å; A1032-L1048 HydrophobicContact CB-CB 4.46Å; A1032-L1048 WeakPolarHBondContact O-CG 3.05Å; A1032-L1048 PolarHBondContact O-N 3.41Å; V1034-L1048 HydrophobicContact CG2-CD1 3.64Å; V1034-L1048 HydrophobicContact CG2-CD2 3.88Å; V1034-L1048 HydrophobicContact CG2-CG 3.68Å
1049	S	85.8	Confident	83.6	Confident	85 Å²	85	57.6 Å²	57.6	59%	0.594	31%	0.308	S	S	*	.	S	Bend	trans	-90.7	-22.3	172.7	63.9	0	0	0	0	112.4	Q1005 D1008 G1051	Q1005-S1049 PolarHBondContact OE1-O 3.4Å; Q1005-S1049 VanDerWaalsContact OE1-O 3.07Å; D1008-S1049 VanDerWaalsContact CG-N 3.32Å; D1008-S1049 WeakPolarHBondContact OD1-CB 3.38Å; D1008-S1049 PolarHBondContact OD1-N 3.05Å; D1008-S1049 PolarHBondContact OD1-OG 3Å; D1008-S1049 PolarHBondContact OD2-N 3.28Å; S1049-G1051 VanDerWaalsContact C-N 3.32Å; S1049-G1051 PolarHBondContact O-N 3.36Å
1050	S	77.7	Confident	84.2	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.007	29%	0.294	C	S	.	.	S	Bend	trans	-73.7	-12	-177	62.5	0	0	0	0	115.2	Y999 L1001 D1002 D1008	Y999-S1050 PolarHBondContact O-OG 2.92Å; L1001-S1050 CarbonylContact C-O 3.52Å; L1001-S1050 PolarHBondContact N-OG 2.79Å; D1002-S1050 WeakPolarHBondContact CB-O 3.37Å; D1002-S1050 PolarHBondContact N-O 2.88Å; D1008-S1050 WeakPolarHBondContact OD2-CB 3.45Å; D1008-S1050 PolarHBondContact OD2-N 3.1Å; D1008-S1050 PolarHBondContact OD2-OG 2.97Å
1051	G	83.8	Confident	85.2	Confident	26 Å²	26	49.2 Å²	49.2	27%	0.268	27%	0.268	S	S	.	.			trans	145.3	179.2	176.2	0	0	0	0	0	114.5	L1001 S1049	L1001-G1051 WeakPolarHBondContact CD1-O 3.47Å; S1049-G1051 VanDerWaalsContact C-N 3.32Å; S1049-G1051 PolarHBondContact O-N 3.36Å
1052	T	85.8	Confident	86.2	Confident	66 Å²	66	44.8 Å²	44.8	41%	0.405	24%	0.236	S	C	.	.	S	Bend	trans	-111.1	-14.1	179.4	50.4	0	0	0	0	113.4	R1029 E1031 A1032	R1029-T1052 PolarHBondContact NH1-O 3.41Å; E1031-T1052 HydrophobicContact CB-CG2 4.26Å; A1032-T1052 HydrophobicContact CB-CG2 3.98Å
1053	E	87	Confident	86.4	Confident	90 Å²	90	43.9 Å²	43.9	42%	0.421	23%	0.229	S	C	.	.			trans	-124	137.7	-173.1	-49.4	-164.5	148.4	0	0	110.4	T955 T957	T955-E1053 HydrophobicContact CG2-CB 3.93Å; T957-E1053 HydrophobicContact CG2-CG 4.09Å
1054	F	88.8	Confident	86.3	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-109.2	100.2	171.7	-171.9	-165.8	0	0	0	108.4	T955 L956 V977 E983 L985 L1001 V1057	T955-F1054 CarbonylContact C-O 3.5Å; T955-F1054 WeakPolarHBondContact CA-O 3.41Å; L956-F1054 HydrophobicContact CB-CB 4.25Å; L956-F1054 HydrophobicContact CD1-CD1 4.35Å; L956-F1054 PolarHBondContact N-O 3.18Å; L956-F1054 PolarHBondContact O-N 3.13Å; V977-F1054 HydrophobicContact CB-CE1 4.08Å; V977-F1054 HydrophobicContact CB-CZ 4.27Å; V977-F1054 HydrophobicContact CG1-CE1 3.63Å; V977-F1054 HydrophobicContact CG1-CZ 3.86Å; E983-F1054 HydrophobicContact CB-CD2 3.87Å; E983-F1054 HydrophobicContact CB-CE2 3.69Å; E983-F1054 WeakPolarHBondContact OE2-CD2 3.17Å; L985-F1054 HydrophobicContact CB-CE1 4.09Å; L985-F1054 HydrophobicContact CB-CZ 4.46Å; L1001-F1054 HydrophobicContact CD2-CB 3.56Å; L1001-F1054 HydrophobicContact CD2-CD1 4.47Å; L1001-F1054 HydrophobicContact CD2-CD2 3.88Å; L1001-F1054 HydrophobicContact CD2-CG 3.74Å; F1054-V1057 HydrophobicContact CD1-CG2 3.82Å; F1054-V1057 HydrophobicContact CD2-CG2 4.21Å; F1054-V1057 HydrophobicContact CE1-CG2 3.94Å; F1054-V1057 HydrophobicContact CE2-CG2 4.32Å; F1054-V1057 HydrophobicContact CG-CG2 3.96Å; F1054-V1057 HydrophobicContact CZ-CG2 4.2Å
1055	N	83.4	Confident	86	Confident	38 Å²	38	37.7 Å²	37.7	20%	0.203	20%	0.203	C	C	.	.			trans	-87.6	151.5	-166.7	-67.4	-64.4	0	0	0	112.3	T955 S979 Y981 E983 V1057	T955-N1055 WeakPolarHBondContact CG2-OD1 3.24Å; T955-N1055 PolarHBondContact OG1-OD1 3.39Å; S979-N1055 WeakPolarHBondContact CB-O 3.05Å; S979-N1055 PolarHBondContact OG-O 3.46Å; Y981-N1055 HydrophobicContact CD2-CB 3.84Å; Y981-N1055 HydrophobicContact CE2-CB 4.17Å; E983-N1055 PolarHBondContact OE1-ND2 3.13Å; E983-N1055 PolarHBondContact OE2-N 2.94Å; N1055-V1057 VanDerWaalsContact C-N 3.33Å; N1055-V1057 PolarHBondContact O-N 2.93Å; N1055-V1057 VanDerWaalsContact O-N 3.15Å
1056	A	81.5	Confident	84.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.008	20%	0.203	C	C	.	.	S	Bend	trans	42.5	52.5	171	0	0	0	0	0	114.6	D953 V954 S979 F980 Y981 K1058	D953-A1056 HydrophobicContact CB-CB 4.2Å; V954-A1056 PolarHBondContact O-N 2.84Å; V954-A1056 VanDerWaalsContact O-N 3.09Å; S979-A1056 WeakPolarHBondContact CA-O 2.95Å; S979-A1056 PolarHBondContact OG-O 3.2Å; F980-A1056 HydrophobicContact CB-CB 4.18Å; F980-A1056 HydrophobicContact CD2-CB 4.14Å; F980-A1056 VanDerWaalsContact CD2-O 3.31Å; F980-A1056 WeakPolarHBondContact CD2-O 3.1Å; F980-A1056 PolarHBondContact N-O 2.82Å; Y981-A1056 HydrophobicContact CD2-CB 3.6Å; Y981-A1056 HydrophobicContact CE2-CB 3.36Å; A1056-K1058 PolarHBondContact O-N 3.42Å; A1056-K1058 VanDerWaalsContact O-N 3.16Å
1057	V	83.8	Confident	83.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	119.5	-179.7	-178.6	0	0	0	0	110.6	F933 V954 L956 V977 F1054 N1055	F933-V1057 HydrophobicContact CD2-CG1 3.67Å; F933-V1057 HydrophobicContact CE2-CG1 3.62Å; F933-V1057 HydrophobicContact CG-CG1 4.4Å; F933-V1057 HydrophobicContact CZ-CG1 4.34Å; V954-V1057 PolarHBondContact O-N 3.22Å; V954-V1057 VanDerWaalsContact O-N 3.12Å; L956-V1057 HydrophobicContact CD1-CG2 3.8Å; L956-V1057 HydrophobicContact CG-CG2 4.17Å; V977-V1057 HydrophobicContact CG1-CG1 3.43Å; V977-V1057 VanDerWaalsContact CG1-CG1 3.43Å; F1054-V1057 HydrophobicContact CD1-CG2 3.82Å; F1054-V1057 HydrophobicContact CD2-CG2 4.21Å; F1054-V1057 HydrophobicContact CE1-CG2 3.94Å; F1054-V1057 HydrophobicContact CE2-CG2 4.32Å; F1054-V1057 HydrophobicContact CG-CG2 3.96Å; F1054-V1057 HydrophobicContact CZ-CG2 4.2Å; N1055-V1057 VanDerWaalsContact C-N 3.33Å; N1055-V1057 PolarHBondContact O-N 2.93Å; N1055-V1057 VanDerWaalsContact O-N 3.15Å
1058	K	84.3	Confident	82.8	Confident	80 Å²	80	38.8 Å²	38.8	35%	0.348	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-56.6	-172.1	175.1	-178.5	-179.3	-178.5	0	112.4	F933 S978 F980 A1056	F933-K1058 PolarHBondContact N-O 3.4Å; S978-K1058 WeakPolarHBondContact O-CA 3.33Å; S978-K1058 WeakPolarHBondContact O-CB 3.3Å; S978-K1058 PolarHBondContact O-N 3.46Å; F980-K1058 HydrophobicContact CD1-CB 4.42Å; F980-K1058 HydrophobicContact CD1-CD 3.93Å; F980-K1058 HydrophobicContact CD1-CG 4.25Å; F980-K1058 HydrophobicContact CD2-CB 3.87Å; F980-K1058 HydrophobicContact CD2-CG 4.39Å; F980-K1058 HydrophobicContact CE1-CB 4.34Å; F980-K1058 HydrophobicContact CE1-CD 3.77Å; F980-K1058 HydrophobicContact CE1-CG 3.83Å; F980-K1058 HydrophobicContact CE2-CB 3.77Å; F980-K1058 HydrophobicContact CE2-CG 3.98Å; F980-K1058 HydrophobicContact CG-CB 4.2Å; F980-K1058 HydrophobicContact CG-CD 4.47Å; F980-K1058 HydrophobicContact CZ-CB 4.02Å; F980-K1058 HydrophobicContact CZ-CD 4.18Å; F980-K1058 HydrophobicContact CZ-CG 3.68Å; A1056-K1058 PolarHBondContact O-N 3.42Å; A1056-K1058 VanDerWaalsContact O-N 3.16Å
1059	S	87.3	Confident	81.4	Confident	7 Å²	7	43.1 Å²	43.1	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	150.9	-173	54.7	0	0	0	0	112.4	Y931 V977 S978	Y931-S1059 CarbonylContact O-C 3.48Å; Y931-S1059 VanDerWaalsContact O-CA 3.32Å; Y931-S1059 WeakPolarHBondContact O-CA 3.36Å; V977-S1059 WeakPolarHBondContact CA-O 3.15Å; S978-S1059 PolarHBondContact N-O 2.98Å; S978-S1059 PolarHBondContact O-N 3.32Å; S978-S1059 PolarHBondContact OG-O 2.94Å; S978-S1059 PolarHBondContact OG-OG 3.28Å
1060	L	89.4	Confident	80.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.2	168.6	177.7	161.2	0	0	0	108.6	T930 Y931 F933 L975 Y976 V977 L1062 F1092 P1097	T930-L1060 CarbonylContact C-O 3.56Å; T930-L1060 WeakPolarHBondContact CA-O 3.38Å; Y931-L1060 PolarHBondContact N-O 3.39Å; Y931-L1060 PolarHBondContact O-N 3.09Å; F933-L1060 HydrophobicContact CE2-CB 3.7Å; F933-L1060 HydrophobicContact CZ-CB 3.98Å; F933-L1060 HydrophobicContact CZ-CD1 4.46Å; L975-L1060 HydrophobicContact CD1-CD1 4.02Å; L975-L1060 HydrophobicContact CD1-CG 4.37Å; Y976-L1060 CarbonylContact O-C 3.53Å; Y976-L1060 WeakPolarHBondContact O-CA 3.3Å; V977-L1060 HydrophobicContact CG2-CB 4.17Å; V977-L1060 HydrophobicContact CG2-CD1 4.1Å; V977-L1060 HydrophobicContact CG2-CG 4Å; L1060-L1062 HydrophobicContact CD2-CD1 4.43Å; L1060-L1062 HydrophobicContact CD2-CD2 3.79Å; L1060-L1062 HydrophobicContact CD2-CG 3.79Å; L1060-F1092 HydrophobicContact CD1-CB 3.53Å; L1060-F1092 HydrophobicContact CD1-CD1 4.49Å; L1060-F1092 HydrophobicContact CD1-CD2 4.24Å; L1060-F1092 HydrophobicContact CD1-CG 3.85Å; L1060-P1097 HydrophobicContact CD1-CG 3.85Å; L1060-P1097 HydrophobicContact CD2-CB 4Å; L1060-P1097 HydrophobicContact CD2-CG 3.68Å; L1060-P1097 HydrophobicContact CG-CG 4.36Å
1061	I	88.9	Confident	80.8	Confident	18 Å²	18	40.6 Å²	40.6	9%	0.092	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.3	-177.5	-50.5	172.9	0	0	0	109.5	M929 T930 Y976 V1065	M929-I1061 CarbonylContact O-C 3.49Å; M929-I1061 VanDerWaalsContact O-CA 3.3Å; M929-I1061 WeakPolarHBondContact O-CA 3.32Å; T930-I1061 HydrophobicContact CG2-CG1 4.01Å; Y976-I1061 HydrophobicContact CD1-CD1 4.18Å; Y976-I1061 PolarHBondContact N-O 3.09Å; Y976-I1061 PolarHBondContact O-N 3.29Å; I1061-V1065 HydrophobicContact CB-CG2 4.04Å; I1061-V1065 HydrophobicContact CD1-CG1 4Å; I1061-V1065 HydrophobicContact CD1-CG2 4.14Å; I1061-V1065 HydrophobicContact CG2-CG2 3.7Å
1062	L	87.8	Confident	81	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.6	172.2	-55	178.4	0	0	0	108.8	F923 S928 M929 L974 L975 L1060 L1087 V1090 P1097 L1098	F923-L1062 HydrophobicContact CE1-CB 3.91Å; F923-L1062 HydrophobicContact CZ-CB 3.9Å; F923-L1062 HydrophobicContact CZ-CD1 4.2Å; S928-L1062 WeakPolarHBondContact CA-O 3.28Å; M929-L1062 HydrophobicContact CB-CB 4.45Å; M929-L1062 HydrophobicContact CE-CD1 3.98Å; M929-L1062 PolarHBondContact N-O 3.38Å; M929-L1062 PolarHBondContact O-N 2.72Å; M929-L1062 HydrophobicContact SD-CB 4.28Å; M929-L1062 HydrophobicContact SD-CD1 3.88Å; M929-L1062 HydrophobicContact SD-CG 4.06Å; L974-L1062 WeakPolarHBondContact O-CD2 3.5Å; L975-L1062 HydrophobicContact CB-CD2 4.21Å; L975-L1062 HydrophobicContact CD1-CD2 4.22Å; L975-L1062 HydrophobicContact CG-CD2 4.38Å; L1060-L1062 HydrophobicContact CD2-CD1 4.43Å; L1060-L1062 HydrophobicContact CD2-CD2 3.79Å; L1060-L1062 HydrophobicContact CD2-CG 3.79Å; L1062-L1087 HydrophobicContact CB-CD1 4.41Å; L1062-V1090 HydrophobicContact CD1-CB 4.46Å; L1062-V1090 HydrophobicContact CD1-CG1 4Å; L1062-V1090 HydrophobicContact CD1-CG2 4.42Å; L1062-V1090 HydrophobicContact CD2-CG1 4.04Å; L1062-P1097 HydrophobicContact CD1-CB 4.34Å; L1062-L1098 HydrophobicContact CD1-CD2 3.63Å; L1062-L1098 HydrophobicContact CD1-CG 4.01Å
1063	G	83.9	Confident	81	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.5	-142.4	-177.2	0	0	0	0	0	113.4	S927	S927-G1063 WeakPolarHBondContact O-CA 3.34Å
1064	K	83.9	Confident	81	Confident	80 Å²	80	40.1 Å²	40.1	35%	0.348	23%	0.229	S	C	.	.			trans	-76.2	130.6	-174.1	-172.1	173.9	-178.7	175.1	0	111.9	S927 S928 T1080	S927-K1064 PolarHBondContact O-N 3Å; S928-K1064 WeakPolarHBondContact CB-O 3.42Å; S928-K1064 PolarHBondContact OG-O 3.36Å; K1064-T1080 WeakPolarHBondContact CE-O 3.19Å
1065	V	81.8	Confident	81	Confident	10 Å²	10	40.1 Å²	40.1	6%	0.061	23%	0.229	C	C	.	.			trans	-101.8	128	174.9	179.7	0	0	0	0	109.4	L973 Y976 I1061 A1068 A1079	L973-V1065 HydrophobicContact CD2-CB 4.38Å; L973-V1065 HydrophobicContact CD2-CG2 3.35Å; Y976-V1065 HydrophobicContact CD1-CG2 4.13Å; Y976-V1065 HydrophobicContact CG-CG2 4.33Å; I1061-V1065 HydrophobicContact CB-CG2 4.04Å; I1061-V1065 HydrophobicContact CD1-CG1 4Å; I1061-V1065 HydrophobicContact CD1-CG2 4.14Å; I1061-V1065 HydrophobicContact CG2-CG2 3.7Å; V1065-A1068 HydrophobicContact CG1-CB 4.11Å; V1065-A1079 HydrophobicContact CB-CB 3.93Å; V1065-A1079 HydrophobicContact CG2-CB 4.33Å; V1065-A1079 PolarHBondContact N-O 3.28Å; V1065-A1079 VanDerWaalsContact N-O 3.1Å
1066	L	67.9	Low	81.1	Confident	113 Å²	113	43.9 Å²	43.9	59%	0.592	24%	0.24	S	C	*	.	S	Bend	trans	-80	-32.1	-176.1	-69.3	166.5	0	0	0	113.2
1067	E	66.3	Low	81.4	Confident	176 Å²	176	49.8 Å²	49.8	82%	0.822	26%	0.262	S	S	*	.			trans	-139.5	104.5	177.7	-70.9	-176	165.5	0	0	110.6
1068	A	68.9	Low	81.6	Confident	14 Å²	14	49.7 Å²	49.7	12%	0.116	26%	0.262	C	S	.	.			trans	-115.3	44.9	174.6	0	0	0	0	0	110.8	V1065 G1070 A1071 R1076 A1079	V1065-A1068 HydrophobicContact CG1-CB 4.11Å; A1068-G1070 PolarHBondContact O-N 2.91Å; A1068-G1070 VanDerWaalsContact O-N 3.14Å; A1068-A1071 HydrophobicContact CB-CB 4.09Å; A1068-A1071 PolarHBondContact O-N 2.89Å; A1068-A1071 VanDerWaalsContact O-N 3.07Å; A1068-R1076 HydrophobicContact CB-CG 4.19Å; A1068-R1076 WeakPolarHBondContact O-CD 3.18Å; A1068-R1076 WeakPolarHBondContact O-CG 3.15Å; A1068-A1079 HydrophobicContact CB-CB 4.34Å
1069	A	62.2	Low	81.6	Confident	99 Å²	99	46 Å²	46	82%	0.818	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26	-168.8	0	0	0	0	0	114.5
1070	G	69.1	Low	81.5	Confident	27 Å²	27	49.9 Å²	49.9	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-0.7	177.2	0	0	0	0	0	116	A1068	A1068-G1070 PolarHBondContact O-N 2.91Å; A1068-G1070 VanDerWaalsContact O-N 3.14Å
1071	A	81.8	Confident	81.2	Confident	7 Å²	7	52.5 Å²	52.5	6%	0.058	29%	0.288	C	S	.	.	S	Bend	trans	-89.1	154	-176.5	0	0	0	0	0	113.1	Y976 Y984 A1068 T1075 R1076	Y976-A1071 HydrophobicContact CE2-CB 4.21Å; Y984-A1071 HydrophobicContact CE1-CB 4.23Å; Y984-A1071 HydrophobicContact CE2-CB 4.45Å; A1068-A1071 HydrophobicContact CB-CB 4.09Å; A1068-A1071 PolarHBondContact O-N 2.89Å; A1068-A1071 VanDerWaalsContact O-N 3.07Å; A1071-T1075 HydrophobicContact CB-CG2 3.82Å; A1071-R1076 HydrophobicContact CB-CG 4.07Å; A1071-R1076 VanDerWaalsContact O-CD 3.32Å; A1071-R1076 WeakPolarHBondContact O-CD 3.35Å; A1071-R1076 WeakPolarHBondContact O-CG 3.48Å; A1071-R1076 PolarHBondContact O-NE 3.5Å; A1071-R1076 VanDerWaalsContact O-NE 3.15Å
1072	D	87.1	Confident	81	Confident	22 Å²	22	51.7 Å²	51.7	12%	0.118	28%	0.284	C	S	.	.			trans	-62.5	160.7	176.9	73.5	-83.7	0	0	0	113.2	Y984 R998 P1007 D1074 T1075 R1076	Y984-D1072 VanDerWaalsContact OH-CB 3.29Å; Y984-D1072 WeakPolarHBondContact OH-CB 3.41Å; Y984-D1072 VanDerWaalsContact OH-CG 3.32Å; Y984-D1072 PolarHBondContact OH-N 2.87Å; Y984-D1072 PolarHBondContact OH-OD1 3.49Å; R998-D1072 WeakPolarHBondContact CD-OD1 3.43Å; R998-D1072 IonicContact NE-OD1 2.73Å; R998-D1072 IonicContact NE-OD2 2.81Å; R998-D1072 PolarHBondContact NE-OD2 3.06Å; P1007-D1072 HydrophobicContact CG-CB 4.1Å; D1072-D1074 VanDerWaalsContact C-N 3.26Å; D1072-D1074 PolarHBondContact O-N 3.49Å; D1072-D1074 WeakPolarHBondContact OD2-CB 3.05Å; D1072-D1074 PolarHBondContact OD2-N 3.29Å; D1072-T1075 PolarHBondContact O-N 3Å; D1072-T1075 VanDerWaalsContact OD1-CB 3.23Å; D1072-T1075 WeakPolarHBondContact OD1-CB 3.27Å; D1072-T1075 PolarHBondContact OD1-OG1 3.22Å; D1072-T1075 PolarHBondContact OD2-N 2.76Å; D1072-R1076 WeakPolarHBondContact O-CG 3.29Å; D1072-R1076 PolarHBondContact O-N 2.81Å
1073	P	86.4	Confident	81	Confident	78 Å²	78	51.7 Å²	51.7	51%	0.506	28%	0.284	S	S	.	.	H	α-helix	trans	-54	-34.7	-176.8	-25.5	34.2	0	0	0	115.4	R1077	P1073-R1077 WeakPolarHBondContact O-CB 3.48Å; P1073-R1077 PolarHBondContact O-N 3.13Å; P1073-R1077 VanDerWaalsContact O-N 3.09Å
1074	D	85.8	Confident	80.9	Confident	71 Å²	71	52.6 Å²	52.6	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-77.7	-43.1	-178	-63.9	-34.4	0	0	0	111.1	I988 R998 D1072 R1076 R1077 A1078	I988-D1074 HydrophobicContact CD1-CB 4.11Å; R998-D1074 IonicContact CZ-OD2 3.31Å; R998-D1074 IonicContact NH2-OD2 3.37Å; R998-D1074 PolarHBondContact NH2-OD2 2.91Å; D1072-D1074 VanDerWaalsContact C-N 3.26Å; D1072-D1074 PolarHBondContact O-N 3.49Å; D1072-D1074 WeakPolarHBondContact OD2-CB 3.05Å; D1072-D1074 PolarHBondContact OD2-N 3.29Å; D1074-R1076 VanDerWaalsContact C-N 3.31Å; D1074-R1076 PolarHBondContact O-N 3.15Å; D1074-R1077 PolarHBondContact O-N 2.91Å; D1074-A1078 PolarHBondContact O-N 2.92Å
1075	T	88.9	Confident	80.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-41.5	173.4	-60	0	0	0	0	111	Y976 Y984 S986 R998 A1071 D1072 R1077 A1078 A1079	Y976-T1075 HydrophobicContact CD2-CG2 3.9Å; Y976-T1075 HydrophobicContact CE2-CG2 3.81Å; Y984-T1075 HydrophobicContact CE2-CG2 4.28Å; S986-T1075 PolarHBondContact OG-OG1 3.39Å; S986-T1075 VanDerWaalsContact OG-OG1 3.09Å; R998-T1075 WeakPolarHBondContact CD-OG1 3.2Å; A1071-T1075 HydrophobicContact CB-CG2 3.82Å; D1072-T1075 PolarHBondContact O-N 3Å; D1072-T1075 VanDerWaalsContact OD1-CB 3.23Å; D1072-T1075 WeakPolarHBondContact OD1-CB 3.27Å; D1072-T1075 PolarHBondContact OD1-OG1 3.22Å; D1072-T1075 PolarHBondContact OD2-N 2.76Å; T1075-R1077 PolarHBondContact O-N 3.29Å; T1075-A1078 PolarHBondContact O-N 3.16Å; T1075-A1079 WeakPolarHBondContact O-CB 3.01Å; T1075-A1079 PolarHBondContact O-N 2.83Å
1076	R	86.6	Confident	80.2	Confident	117 Å²	117	49.3 Å²	49.3	44%	0.442	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-41.7	174.8	-73.6	-174.3	-63.9	175.3	0.7	112.1	A1068 A1071 D1072 D1074 A1079 T1080	A1068-R1076 HydrophobicContact CB-CG 4.19Å; A1068-R1076 WeakPolarHBondContact O-CD 3.18Å; A1068-R1076 WeakPolarHBondContact O-CG 3.15Å; A1071-R1076 HydrophobicContact CB-CG 4.07Å; A1071-R1076 VanDerWaalsContact O-CD 3.32Å; A1071-R1076 WeakPolarHBondContact O-CD 3.35Å; A1071-R1076 WeakPolarHBondContact O-CG 3.48Å; A1071-R1076 PolarHBondContact O-NE 3.5Å; A1071-R1076 VanDerWaalsContact O-NE 3.15Å; D1072-R1076 WeakPolarHBondContact O-CG 3.29Å; D1072-R1076 PolarHBondContact O-N 2.81Å; D1074-R1076 VanDerWaalsContact C-N 3.31Å; D1074-R1076 PolarHBondContact O-N 3.15Å; R1076-A1079 WeakPolarHBondContact O-CB 3.42Å; R1076-A1079 PolarHBondContact O-N 2.83Å; R1076-T1080 WeakPolarHBondContact O-CG2 3.48Å; R1076-T1080 PolarHBondContact O-N 2.71Å; R1076-T1080 PolarHBondContact O-OG1 2.62Å
1077	R	86.8	Confident	80.4	Confident	125 Å²	125	43.9 Å²	43.9	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-63.8	-48.7	177.4	-163.6	-177.9	-56.3	-171.8	6.2	111.3	P971 N991 P1073 D1074 T1075 A1079 T1080 S1081	P971-R1077 HydrophobicContact CG-CG 4.2Å; N991-R1077 PolarHBondContact ND2-NH1 2.81Å; P1073-R1077 WeakPolarHBondContact O-CB 3.48Å; P1073-R1077 PolarHBondContact O-N 3.13Å; P1073-R1077 VanDerWaalsContact O-N 3.09Å; D1074-R1077 PolarHBondContact O-N 2.91Å; T1075-R1077 PolarHBondContact O-N 3.29Å; R1077-A1079 VanDerWaalsContact C-N 3.34Å; R1077-A1079 PolarHBondContact O-N 3.01Å; R1077-T1080 PolarHBondContact O-N 3.16Å; R1077-T1080 PolarHBondContact O-OG1 2.84Å; R1077-S1081 PolarHBondContact O-N 2.77Å; R1077-S1081 PolarHBondContact O-OG 2.87Å
1078	A	87.9	Confident	80.4	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-39.6	176.4	0	0	0	0	0	112.4	P971 L973 I988 D1074 T1075 T1080 S1081 G1082	P971-A1078 HydrophobicContact CB-CB 4.35Å; L973-A1078 HydrophobicContact CB-CB 4.19Å; I988-A1078 HydrophobicContact CB-CB 3.9Å; I988-A1078 HydrophobicContact CD1-CB 4.17Å; I988-A1078 HydrophobicContact CG2-CB 3.68Å; D1074-A1078 PolarHBondContact O-N 2.92Å; T1075-A1078 PolarHBondContact O-N 3.16Å; A1078-T1080 PolarHBondContact O-N 2.85Å; A1078-S1081 PolarHBondContact O-N 3.32Å; A1078-G1082 PolarHBondContact O-N 3.3Å
1079	A	85.4	Confident	80.2	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-41.3	175.3	0	0	0	0	0	112.9	L973 V1065 A1068 T1075 R1076 R1077 G1082	L973-A1079 HydrophobicContact CD2-CB 3.95Å; V1065-A1079 HydrophobicContact CB-CB 3.93Å; V1065-A1079 HydrophobicContact CG2-CB 4.33Å; V1065-A1079 PolarHBondContact N-O 3.28Å; V1065-A1079 VanDerWaalsContact N-O 3.1Å; A1068-A1079 HydrophobicContact CB-CB 4.34Å; T1075-A1079 WeakPolarHBondContact O-CB 3.01Å; T1075-A1079 PolarHBondContact O-N 2.83Å; R1076-A1079 WeakPolarHBondContact O-CB 3.42Å; R1076-A1079 PolarHBondContact O-N 2.83Å; R1077-A1079 VanDerWaalsContact C-N 3.34Å; R1077-A1079 PolarHBondContact O-N 3.01Å; A1079-G1082 PolarHBondContact O-N 2.74Å
1080	T	84.3	Confident	80.5	Confident	90 Å²	90	33.6 Å²	33.6	55%	0.552	19%	0.193	S	C	*	.	H	α-helix	trans	-69.1	-38.6	177.2	54.1	0	0	0	0	112.9	K1064 R1076 R1077 A1078 G1082	K1064-T1080 WeakPolarHBondContact CE-O 3.19Å; R1076-T1080 WeakPolarHBondContact O-CG2 3.48Å; R1076-T1080 PolarHBondContact O-N 2.71Å; R1076-T1080 PolarHBondContact O-OG1 2.62Å; R1077-T1080 PolarHBondContact O-N 3.16Å; R1077-T1080 PolarHBondContact O-OG1 2.84Å; A1078-T1080 PolarHBondContact O-N 2.85Å; T1080-G1082 VanDerWaalsContact C-N 3.31Å
1081	S	84.6	Confident	80.7	Confident	54 Å²	54	38 Å²	38	38%	0.378	20%	0.201	S	C	.	.	H	α-helix	trans	-68	-32.8	173.3	-63.2	0	0	0	0	112.1	P971 R1077 A1078	P971-S1081 WeakPolarHBondContact O-CB 3.31Å; R1077-S1081 PolarHBondContact O-N 2.77Å; R1077-S1081 PolarHBondContact O-OG 2.87Å; A1078-S1081 PolarHBondContact O-N 3.32Å
1082	G	84.6	Confident	80.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.201	C	C	.	.			trans	66.6	-164.3	-175	0	0	0	0	0	112.6	S972 L973 A1078 A1079 T1080	S972-G1082 WeakPolarHBondContact CA-O 3.32Å; S972-G1082 PolarHBondContact OG-O 3.12Å; L973-G1082 PolarHBondContact N-O 2.87Å; A1078-G1082 PolarHBondContact O-N 3.3Å; A1079-G1082 PolarHBondContact O-N 2.74Å; T1080-G1082 VanDerWaalsContact C-N 3.31Å
1083	F	86.9	Confident	80	Confident	1 Å²	1	38.4 Å²	38.4	0%	0.004	21%	0.208	C	C	.	.			trans	-109.3	140.5	173.3	-177.3	-106.3	0	0	0	110.1	F923 F965 T967 L973 L974 G1085 C1086 L1087	F923-F1083 HydrophobicContact CB-CD1 3.83Å; F923-F1083 HydrophobicContact CB-CE1 4.36Å; F923-F1083 HydrophobicContact CD2-CD1 4.41Å; F923-F1083 HydrophobicContact CG-CD1 4.14Å; F965-F1083 HydrophobicContact CB-CE2 4.32Å; F965-F1083 HydrophobicContact CB-CZ 4.21Å; T967-F1083 HydrophobicContact CG2-CE2 3.92Å; L973-F1083 WeakPolarHBondContact O-CB 3.37Å; L974-F1083 HydrophobicContact CD2-CD2 3.45Å; L974-F1083 VanDerWaalsContact CD2-CD2 3.45Å; L974-F1083 HydrophobicContact CD2-CE2 3.35Å; L974-F1083 HydrophobicContact CD2-CG 4.49Å; L974-F1083 HydrophobicContact CD2-CZ 4.38Å; F1083-G1085 WeakPolarHBondContact CE1-O 3.44Å; F1083-C1086 WeakPolarHBondContact CZ-O 3.46Å; F1083-L1087 HydrophobicContact CD1-CD1 3.46Å; F1083-L1087 VanDerWaalsContact CD1-CD1 3.46Å; F1083-L1087 HydrophobicContact CD1-CG 3.75Å; F1083-L1087 HydrophobicContact CE1-CB 4.3Å; F1083-L1087 HydrophobicContact CE1-CD1 3.73Å; F1083-L1087 HydrophobicContact CE1-CD2 4.36Å; F1083-L1087 HydrophobicContact CE1-CG 3.42Å; F1083-L1087 VanDerWaalsContact CE1-CG 3.42Å; F1083-L1087 HydrophobicContact CG-CD1 4.02Å; F1083-L1087 HydrophobicContact CG-CG 4.46Å; F1083-L1087 HydrophobicContact CZ-CD1 4.43Å; F1083-L1087 HydrophobicContact CZ-CD2 4.33Å; F1083-L1087 HydrophobicContact CZ-CG 3.85Å
1084	T	82	Confident	78.6	Confident	19 Å²	19	40.7 Å²	40.7	12%	0.117	23%	0.225	C	C	.	.			trans	-136.5	121.6	168.6	-60	0	0	0	0	107.7	F923 T925 T967	F923-T1084 WeakPolarHBondContact O-CA 3.43Å; T925-T1084 VanDerWaalsContact CA-OG1 3.31Å; T925-T1084 WeakPolarHBondContact CA-OG1 3.36Å; T925-T1084 WeakPolarHBondContact OG1-CG2 3.41Å; T925-T1084 PolarHBondContact OG1-OG1 2.84Å; T925-T1084 VanDerWaalsContact OG1-OG1 3.13Å; T967-T1084 WeakPolarHBondContact CB-O 3.46Å; T967-T1084 PolarHBondContact OG1-O 2.92Å
1085	G	76.4	Confident	77.4	Confident	9 Å²	9	37.9 Å²	37.9	9%	0.093	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.5	-158.2	-171.2	0	0	0	0	0	111.6	Y922 F923 R966 F1083	Y922-G1085 WeakPolarHBondContact CD2-O 3.46Å; F923-G1085 PolarHBondContact N-O 3.48Å; F923-G1085 PolarHBondContact O-N 2.77Å; F923-G1085 VanDerWaalsContact O-N 3.13Å; R966-G1085 CarbonylContact O-C 3.56Å; R966-G1085 VanDerWaalsContact O-CA 3.29Å; R966-G1085 WeakPolarHBondContact O-CA 3.47Å; F1083-G1085 WeakPolarHBondContact CE1-O 3.44Å
1086	C	74.3	Confident	76.3	Confident	11 Å²	11	39.7 Å²	39.7	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.4	-179.3	-52.1	0	0	0	0	110.1	F965 R966 F1083 C1122	F965-C1086 CarbonylContact C-O 3.35Å; F965-C1086 VanDerWaalsContact CA-O 3.23Å; F965-C1086 WeakPolarHBondContact CA-O 3.29Å; R966-C1086 HydrophobicContact CB-CB 4.22Å; R966-C1086 PolarHBondContact N-O 2.74Å; R966-C1086 PolarHBondContact O-N 3.25Å; F1083-C1086 WeakPolarHBondContact CZ-O 3.46Å; C1086-C1122 HydrophobicContact CB-CB 3.91Å; C1086-C1122 WeakPolarHBondContact CB-SG 3.47Å; C1086-C1122 WeakPolarHBondContact SG-CA 3.26Å; C1086-C1122 WeakPolarHBondContact SG-CB 3.13Å; C1086-C1122 CovalentContact SG-SG 2.01Å; C1086-C1122 PolarHBondContact SG-SG 2.81Å
1087	L	71.8	Confident	75.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.7	170.9	-82.7	164.4	0	0	0	108.8	S920 A921 F923 S964 F965 L1062 F1083 V1090 L1098	S920-L1087 PolarHBondContact OG-O 3.38Å; A921-L1087 PolarHBondContact N-O 3.28Å; A921-L1087 VanDerWaalsContact N-O 3.15Å; A921-L1087 PolarHBondContact O-N 3.08Å; F923-L1087 HydrophobicContact CD2-CB 4.11Å; F923-L1087 HydrophobicContact CD2-CD1 4.04Å; F923-L1087 HydrophobicContact CD2-CG 4.49Å; F923-L1087 HydrophobicContact CE2-CB 3.89Å; F923-L1087 HydrophobicContact CE2-CD1 3.91Å; F923-L1087 HydrophobicContact CE2-CG 4.48Å; F923-L1087 HydrophobicContact CZ-CD1 4.25Å; S964-L1087 WeakPolarHBondContact O-CA 3.31Å; F965-L1087 HydrophobicContact CB-CD2 3.76Å; L1062-L1087 HydrophobicContact CB-CD1 4.41Å; F1083-L1087 HydrophobicContact CD1-CD1 3.46Å; F1083-L1087 VanDerWaalsContact CD1-CD1 3.46Å; F1083-L1087 HydrophobicContact CD1-CG 3.75Å; F1083-L1087 HydrophobicContact CE1-CB 4.3Å; F1083-L1087 HydrophobicContact CE1-CD1 3.73Å; F1083-L1087 HydrophobicContact CE1-CD2 4.36Å; F1083-L1087 HydrophobicContact CE1-CG 3.42Å; F1083-L1087 VanDerWaalsContact CE1-CG 3.42Å; F1083-L1087 HydrophobicContact CG-CD1 4.02Å; F1083-L1087 HydrophobicContact CG-CG 4.46Å; F1083-L1087 HydrophobicContact CZ-CD1 4.43Å; F1083-L1087 HydrophobicContact CZ-CD2 4.33Å; F1083-L1087 HydrophobicContact CZ-CG 3.85Å; L1087-V1090 HydrophobicContact CB-CG2 4.18Å; L1087-V1090 HydrophobicContact CD2-CG2 4.27Å; L1087-L1098 HydrophobicContact CB-CD1 4.2Å; L1087-L1098 WeakPolarHBondContact O-CD1 3.42Å
1088	S	67.4	Low	74.3	Confident	11 Å²	11	28.7 Å²	28.7	8%	0.077	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.1	-168.2	154.1	0	0	0	0	108.6	S920 S964 V1090	S920-S1088 WeakPolarHBondContact OG-CB 3.26Å; S964-S1088 PolarHBondContact N-O 3.09Å; S964-S1088 PolarHBondContact O-N 3.16Å; S1088-V1090 PolarHBondContact O-N 2.82Å
1089	A	63.3	Low	73	Confident	53 Å²	53	31.2 Å²	31.2	44%	0.438	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.5	27.5	175.1	0	0	0	0	0	116	T962 R1091	T962-A1089 CarbonylContact C-O 3.56Å; T962-A1089 VanDerWaalsContact C-O 3.32Å; T962-A1089 PolarHBondContact OG1-O 2.91Å; A1089-R1091 PolarHBondContact O-N 2.96Å
1090	V	69.1	Low	71.9	Confident	8 Å²	8	32.6 Å²	32.6	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	110.5	-177.7	-176.4	0	0	0	0	110	T962 L963 L975 L1062 L1087 S1088 L1098	T962-V1090 CarbonylContact O-C 3.52Å; T962-V1090 VanDerWaalsContact O-CA 3.27Å; T962-V1090 WeakPolarHBondContact O-CA 3.35Å; L963-V1090 HydrophobicContact CB-CG2 3.99Å; L975-V1090 HydrophobicContact CD1-CG1 4.24Å; L1062-V1090 HydrophobicContact CD1-CB 4.46Å; L1062-V1090 HydrophobicContact CD1-CG1 4Å; L1062-V1090 HydrophobicContact CD1-CG2 4.42Å; L1062-V1090 HydrophobicContact CD2-CG1 4.04Å; L1087-V1090 HydrophobicContact CB-CG2 4.18Å; L1087-V1090 HydrophobicContact CD2-CG2 4.27Å; S1088-V1090 PolarHBondContact O-N 2.82Å; V1090-L1098 HydrophobicContact CB-CD1 3.78Å; V1090-L1098 HydrophobicContact CB-CG 4Å; V1090-L1098 HydrophobicContact CG2-CD1 3.46Å; V1090-L1098 VanDerWaalsContact CG2-CD1 3.46Å; V1090-L1098 HydrophobicContact CG2-CG 4.09Å
1091	R	73.6	Confident	70.8	Confident	121 Å²	121	29.4 Å²	29.4	46%	0.457	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.1	177.7	-170.6	175.8	166.5	171.2	-3.1	109.6	I961 T962 A1089 G1093 A1095	I961-R1091 VanDerWaalsContact CA-O 3.28Å; I961-R1091 WeakPolarHBondContact CA-O 3.48Å; I961-R1091 WeakPolarHBondContact CG2-O 3.36Å; T962-R1091 PolarHBondContact N-O 3.25Å; T962-R1091 PolarHBondContact O-N 3.47Å; T962-R1091 WeakPolarHBondContact OG1-CB 3.27Å; A1089-R1091 PolarHBondContact O-N 2.96Å; R1091-G1093 WeakPolarHBondContact CG-O 3.42Å; R1091-G1093 PolarHBondContact NE-O 3.04Å; R1091-G1093 PolarHBondContact NH2-O 3.08Å; R1091-A1095 WeakPolarHBondContact CA-O 3.17Å
1092	F	77.7	Confident	69.5	Low	9 Å²	9	28.4 Å²	28.4	4%	0.039	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	100.8	173.4	-177.8	-88.8	0	0	0	107.7	F933 L956 E959 I961 V977 L985 L1060 C1094 A1095	F933-F1092 HydrophobicContact CE1-CD1 4.03Å; F933-F1092 HydrophobicContact CE1-CE1 4.3Å; F933-F1092 AromaticContact CZ-CD1 3.64Å; F933-F1092 HydrophobicContact CZ-CD1 3.64Å; F933-F1092 AromaticContact CZ-CE1 3.85Å; F933-F1092 HydrophobicContact CZ-CE1 3.85Å; L956-F1092 HydrophobicContact CD1-CE1 3.6Å; L956-F1092 HydrophobicContact CD1-CZ 3.57Å; E959-F1092 HydrophobicContact CB-CZ 4.44Å; E959-F1092 HydrophobicContact CG-CE2 4.16Å; E959-F1092 HydrophobicContact CG-CZ 4.33Å; I961-F1092 HydrophobicContact CD1-CD2 3.62Å; I961-F1092 HydrophobicContact CD1-CE2 3.62Å; I961-F1092 HydrophobicContact CG1-CD2 3.62Å; I961-F1092 HydrophobicContact CG1-CE2 3.98Å; V977-F1092 HydrophobicContact CG1-CE2 4.48Å; V977-F1092 HydrophobicContact CG1-CZ 4.18Å; V977-F1092 HydrophobicContact CG2-CD2 4.05Å; V977-F1092 HydrophobicContact CG2-CE2 3.82Å; V977-F1092 HydrophobicContact CG2-CZ 4.32Å; L985-F1092 HydrophobicContact CD2-CE2 4.17Å; L1060-F1092 HydrophobicContact CD1-CB 3.53Å; L1060-F1092 HydrophobicContact CD1-CD1 4.49Å; L1060-F1092 HydrophobicContact CD1-CD2 4.24Å; L1060-F1092 HydrophobicContact CD1-CG 3.85Å; F1092-C1094 PolarHBondContact O-N 3.3Å; F1092-A1095 PolarHBondContact N-O 3.03Å; F1092-A1095 WeakPolarHBondContact O-CB 3.25Å; F1092-A1095 PolarHBondContact O-N 3.39Å
1093	G	75.5	Confident	68.2	Low	27 Å²	27	35.5 Å²	35.5	28%	0.278	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-118.1	-170	0	0	0	0	0	111.8	M960 R1091	M960-G1093 PolarHBondContact O-N 2.76Å; R1091-G1093 WeakPolarHBondContact CG-O 3.42Å; R1091-G1093 PolarHBondContact NE-O 3.04Å; R1091-G1093 PolarHBondContact NH2-O 3.08Å
1094	C	58.3	Low	66.2	Low	126 Å²	126	41.5 Å²	41.5	85%	0.851	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-6.8	172.3	-60	0	0	0	0	113.3	F1092	F1092-C1094 PolarHBondContact O-N 3.3Å
1095	A	59.8	Low	64.7	Low	12 Å²	12	46.1 Å²	46.1	10%	0.099	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-79.1	132.4	179.2	0	0	0	0	0	110.4	Y931 F933 R1091 F1092 P1097	Y931-A1095 HydrophobicContact CE1-CB 4.07Å; F933-A1095 HydrophobicContact CE1-CB 4.21Å; R1091-A1095 WeakPolarHBondContact CA-O 3.17Å; F1092-A1095 PolarHBondContact N-O 3.03Å; F1092-A1095 WeakPolarHBondContact O-CB 3.25Å; F1092-A1095 PolarHBondContact O-N 3.39Å; A1095-P1097 WeakPolarHBondContact O-CD 3.35Å
1096	A	66.4	Low	63.1	Low	39 Å²	39	48.1 Å²	48.1	32%	0.322	30%	0.301	S	S	.	.			trans	-119	80.4	173.4	0	0	0	0	0	109.4	L1098 K1099 A1100	A1096-L1098 PolarHBondContact O-N 3.12Å; A1096-K1099 HydrophobicContact CB-CB 3.9Å; A1096-K1099 HydrophobicContact CB-CD 4.48Å; A1096-K1099 WeakPolarHBondContact O-CB 3.19Å; A1096-K1099 PolarHBondContact O-N 3.27Å; A1096-K1099 VanDerWaalsContact O-N 3.13Å; A1096-A1100 PolarHBondContact O-N 3.29Å; A1096-A1100 VanDerWaalsContact O-N 3.17Å
1097	P	67.6	Low	61.8	Low	0 Å²	0	51.9 Å²	51.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-55.7	-45.6	-170.8	-29.2	38.1	0	0	0	113.2	M929 Y931 L1060 L1062 A1095 K1099 A1100 A1101	M929-P1097 HydrophobicContact CE-CB 3.25Å; M929-P1097 WeakPolarHBondContact CE-O 3.37Å; M929-P1097 HydrophobicContact SD-CB 4.18Å; Y931-P1097 HydrophobicContact CD2-CB 4.21Å; Y931-P1097 HydrophobicContact CD2-CG 4.45Å; Y931-P1097 HydrophobicContact CG-CB 4.26Å; Y931-P1097 HydrophobicContact CG-CG 4.28Å; L1060-P1097 HydrophobicContact CD1-CG 3.85Å; L1060-P1097 HydrophobicContact CD2-CB 4Å; L1060-P1097 HydrophobicContact CD2-CG 3.68Å; L1060-P1097 HydrophobicContact CG-CG 4.36Å; L1062-P1097 HydrophobicContact CD1-CB 4.34Å; A1095-P1097 WeakPolarHBondContact O-CD 3.35Å; P1097-K1099 VanDerWaalsContact C-N 3.29Å; P1097-K1099 PolarHBondContact O-N 3.17Å; P1097-A1100 PolarHBondContact O-N 2.92Å; P1097-A1100 VanDerWaalsContact O-N 3.08Å; P1097-A1101 PolarHBondContact O-N 2.07Å
1098	L	64.3	Low	61	Low	11 Å²	11	56.6 Å²	56.6	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-35.9	-179.2	-66.2	179.2	0	0	0	112.5	A921 F923 M929 L1062 L1087 V1090 A1096 A1100 A1101 L1102	A921-L1098 HydrophobicContact CB-CD1 4.43Å; A921-L1098 HydrophobicContact CB-CD2 4.12Å; F923-L1098 HydrophobicContact CE2-CD2 3.62Å; F923-L1098 HydrophobicContact CZ-CD2 3.63Å; M929-L1098 HydrophobicContact CE-CD2 4.3Å; L1062-L1098 HydrophobicContact CD1-CD2 3.63Å; L1062-L1098 HydrophobicContact CD1-CG 4.01Å; L1087-L1098 HydrophobicContact CB-CD1 4.2Å; L1087-L1098 WeakPolarHBondContact O-CD1 3.42Å; V1090-L1098 HydrophobicContact CB-CD1 3.78Å; V1090-L1098 HydrophobicContact CB-CG 4Å; V1090-L1098 HydrophobicContact CG2-CD1 3.46Å; V1090-L1098 VanDerWaalsContact CG2-CD1 3.46Å; V1090-L1098 HydrophobicContact CG2-CG 4.09Å; A1096-L1098 PolarHBondContact O-N 3.12Å; L1098-A1100 VanDerWaalsContact C-N 3.31Å; L1098-A1100 PolarHBondContact O-N 3.39Å; L1098-A1101 PolarHBondContact O-N 3.47Å; L1098-L1102 WeakPolarHBondContact O-CG 3.27Å; L1098-L1102 PolarHBondContact O-N 2.99Å
1099	K	60.4	Low	60.9	Low	52 Å²	52	61 Å²	61	23%	0.226	37%	0.373	C	S	.	.	H	α-helix	trans	-66.9	-32.7	175.1	-169.9	172.7	-173.7	168.6	0	111.9	E831 A1096 P1097	E831-K1099 IonicContact OE2-NZ 3.74Å; A1096-K1099 HydrophobicContact CB-CB 3.9Å; A1096-K1099 HydrophobicContact CB-CD 4.48Å; A1096-K1099 WeakPolarHBondContact O-CB 3.19Å; A1096-K1099 PolarHBondContact O-N 3.27Å; A1096-K1099 VanDerWaalsContact O-N 3.13Å; P1097-K1099 VanDerWaalsContact C-N 3.29Å; P1097-K1099 PolarHBondContact O-N 3.17Å
1100	A	61.8	Low	61.4	Low	30 Å²	30	60 Å²	60	25%	0.248	36%	0.361	C	S	.	.	H	α-helix	trans	-77.6	-32.6	176.9	0	0	0	0	0	112.8	Y931 A1096 P1097 L1098 V1110	Y931-A1100 HydrophobicContact CD2-CB 4.22Å; Y931-A1100 HydrophobicContact CE2-CB 4.05Å; A1096-A1100 PolarHBondContact O-N 3.29Å; A1096-A1100 VanDerWaalsContact O-N 3.17Å; P1097-A1100 PolarHBondContact O-N 2.92Å; P1097-A1100 VanDerWaalsContact O-N 3.08Å; L1098-A1100 VanDerWaalsContact C-N 3.31Å; L1098-A1100 PolarHBondContact O-N 3.39Å; A1100-V1110 HydrophobicContact CB-CG2 3.55Å
1101	A	61.9	Low	61.8	Low	24 Å²	24	62.2 Å²	62.2	20%	0.198	38%	0.375	C	S	.	.	H	α-helix	trans	-70.4	-30.1	178.8	0	0	0	0	0	114.4	M929 P1097 L1098 V1110 V1112	M929-A1101 HydrophobicContact CE-CB 3.83Å; M929-A1101 HydrophobicContact CG-CB 4.13Å; P1097-A1101 PolarHBondContact O-N 2.07Å; L1098-A1101 PolarHBondContact O-N 3.47Å; A1101-V1110 HydrophobicContact CB-CG1 3.83Å; A1101-V1112 HydrophobicContact CB-CG2 4.1Å
1102	L	57.2	Low	61.8	Low	33 Å²	33	59.3 Å²	59.3	17%	0.173	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	14.1	-171	-63.2	176	0	0	0	113.9	A921 L1098	A921-L1102 HydrophobicContact CB-CD1 4.01Å; L1098-L1102 WeakPolarHBondContact O-CG 3.27Å; L1098-L1102 PolarHBondContact O-N 2.99Å
1103	R	56.8	Low	61.6	Low	149 Å²	149	66.2 Å²	66.2	56%	0.562	40%	0.396	S	S	*	.			trans	-79	133.1	177.3	-73.5	-179.6	175.5	-176.8	-3.9	111.8	S1105	R1103-S1105 VanDerWaalsContact C-N 3.34Å; R1103-S1105 PolarHBondContact O-N 3.29Å
1104	P	44.5	Very low	61.3	Low	127 Å²	127	67.8 Å²	67.8	83%	0.825	41%	0.413	S	S	*	.	S	Bend	trans	-71.5	-19.8	176.6	-19.8	32.4	0	0	0	115.1
1105	S	51.1	Low	61.7	Low	116 Å²	116	67.2 Å²	67.2	81%	0.811	40%	0.397	S	S	*	.	S	Bend	trans	-157.9	95.6	-174.9	30.2	0	0	0	0	113.6	R1103	R1103-S1105 VanDerWaalsContact C-N 3.34Å; R1103-S1105 PolarHBondContact O-N 3.29Å
1106	G	42.8	Very low	61.7	Low	51 Å²	51	67.8 Å²	67.8	53%	0.526	40%	0.399	S	S	.	.			trans	108.3	163.7	160.2	0	0	0	0	0	117.5
1107	P	47	Very low	61.2	Low	90 Å²	90	66.6 Å²	66.6	58%	0.584	39%	0.39	S	S	*	.			cis	-93.4	177.2	-47	37.1	-26.3	0	0	0	112.7	R1109	P1107-R1109 VanDerWaalsContact C-N 3.25Å; P1107-R1109 PolarHBondContact O-N 2.79Å
1108	S	54.7	Low	60.5	Low	100 Å²	100	70.6 Å²	70.6	70%	0.699	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	18.1	-167.6	49.7	0	0	0	0	119.9
1109	R	65.8	Low	59.7	Low	104 Å²	104	73 Å²	73	39%	0.392	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-12.3	-173.6	-65.4	-171.1	-178.5	-178	-0.7	115.5	H932 E935 P1107	H932-R1109 PolarHBondContact CD2-O 2.63Å; H932-R1109 PolarHBondContact N-O 3.36Å; E935-R1109 HydrophobicContact CG-CG 4.21Å; E935-R1109 IonicContact OE1-CZ 3.93Å; E935-R1109 IonicContact OE1-NE 2.73Å; E935-R1109 PolarHBondContact OE1-NE 2.63Å; E935-R1109 IonicContact OE1-NH2 3.27Å; E935-R1109 PolarHBondContact OE1-NH2 3.49Å; P1107-R1109 VanDerWaalsContact C-N 3.25Å; P1107-R1109 PolarHBondContact O-N 2.79Å
1110	V	72.6	Confident	58.6	Low	30 Å²	30	73.1 Å²	73.1	18%	0.182	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.2	178.4	-174.2	0	0	0	0	110.2	M929 T930 Y931 A1100 A1101 V1112	M929-V1110 HydrophobicContact CE-CG1 4.14Å; M929-V1110 HydrophobicContact CG-CG1 3.85Å; M929-V1110 HydrophobicContact SD-CG1 4.25Å; T930-V1110 CarbonylContact O-C 3.59Å; T930-V1110 VanDerWaalsContact O-CA 3.28Å; T930-V1110 WeakPolarHBondContact O-CA 3.45Å; Y931-V1110 HydrophobicContact CD2-CG2 3.63Å; Y931-V1110 HydrophobicContact CE2-CG2 4.29Å; A1100-V1110 HydrophobicContact CB-CG2 3.55Å; A1101-V1110 HydrophobicContact CB-CG1 3.83Å; V1110-V1112 HydrophobicContact CG1-CG2 4.13Å
1111	T	77.3	Confident	57.7	Low	55 Å²	55	80.6 Å²	80.6	34%	0.337	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.2	172.5	-46.2	0	0	0	0	108.7	M929 T930 H932	M929-T1111 WeakPolarHBondContact CA-O 3.38Å; T930-T1111 PolarHBondContact N-O 2.87Å; T930-T1111 PolarHBondContact O-N 2.91Å; H932-T1111 PolarHBondContact NE2-OG1 3.48Å
1112	V	74.8	Confident	57	Low	61 Å²	61	80.3 Å²	80.3	37%	0.37	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.9	173.9	-176.9	0	0	0	0	108.6	M929 A1101 V1110 V1116	M929-V1112 HydrophobicContact CG-CG2 4.15Å; A1101-V1112 HydrophobicContact CB-CG2 4.1Å; V1110-V1112 HydrophobicContact CG1-CG2 4.13Å; V1112-V1116 HydrophobicContact CG1-CB 3.89Å; V1112-V1116 HydrophobicContact CG1-CG2 3.7Å
1113	R	74.1	Confident	56	Low	154 Å²	154	81.7 Å²	81.7	58%	0.581	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.3	172.7	-68.9	-174.8	177	-177.8	-0.5	108.7	S927 S928	S927-R1113 CarbonylContact C-O 3.45Å; S927-R1113 WeakPolarHBondContact CA-O 3.5Å; S928-R1113 PolarHBondContact N-O 2.89Å; S928-R1113 PolarHBondContact O-N 2.92Å; S928-R1113 VanDerWaalsContact O-O 3.1Å
1114	G	69.1	Low	55.1	Low	60 Å²	60	78.7 Å²	78.7	62%	0.619	48%	0.479	S	S	*	.	S	Bend	trans	88.1	-169.1	-172.4	0	0	0	0	0	112.8
1115	H	65.8	Low	54.5	Low	114 Å²	114	75.4 Å²	75.4	53%	0.528	47%	0.469	S	S	.	.			trans	-95.3	105.8	-175.3	-166.7	67	0	0	0	111.1	A924 S927	A924-H1115 HydrophobicContact CB-CB 4.01Å; A924-H1115 WeakPolarHBondContact CB-O 3.41Å; A924-H1115 PolarHBondContact N-O 3.22Å; A924-H1115 VanDerWaalsContact N-O 3.16Å; S927-H1115 VanDerWaalsContact OG-C 3.23Å; S927-H1115 PolarHBondContact OG-N 3.11Å; S927-H1115 PolarHBondContact OG-O 2.87Å
1116	V	60.5	Low	53.4	Low	23 Å²	23	75.1 Å²	75.1	14%	0.139	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.4	168.5	-178.9	0	0	0	0	106.3	Y922 F923 V1112	Y922-V1116 WeakPolarHBondContact O-CA 3.35Å; F923-V1116 HydrophobicContact CD1-CG2 3.91Å; F923-V1116 HydrophobicContact CE1-CG1 4.45Å; F923-V1116 HydrophobicContact CE1-CG2 3.93Å; F923-V1116 HydrophobicContact CE2-CG1 4.22Å; F923-V1116 HydrophobicContact CG-CG2 4.46Å; F923-V1116 HydrophobicContact CZ-CG1 4.19Å; F923-V1116 HydrophobicContact CZ-CG2 4.47Å; V1112-V1116 HydrophobicContact CG1-CB 3.89Å; V1112-V1116 HydrophobicContact CG1-CG2 3.7Å
1117	A	54.9	Low	52.7	Low	15 Å²	15	77.4 Å²	77.4	12%	0.124	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	147	-174.4	0	0	0	0	0	111	Y922 M1119	Y922-A1117 PolarHBondContact N-O 3.07Å; Y922-A1117 PolarHBondContact O-N 2.82Å; A1117-M1119 PolarHBondContact O-N 3.06Å
1118	P	53.7	Low	51.8	Low	83 Å²	83	79.2 Å²	79.2	54%	0.539	50%	0.502	S	S	.	.			trans	-65.3	118.7	162	28.6	-29.8	0	0	0	107.3
1119	M	48	Very low	50.5	Low	61 Å²	61	77.9 Å²	77.9	30%	0.3	51%	0.505	S	S	.	.			trans	-146.1	133.3	-171.6	-148.7	-174.1	179	0	0	114.1	Y922 A1117 R1121	Y922-M1119 HydrophobicContact CD1-SD 4.17Å; Y922-M1119 HydrophobicContact CG-CB 4.39Å; A1117-M1119 PolarHBondContact O-N 3.06Å; M1119-R1121 HydrophobicContact CE-CG 3.96Å; M1119-R1121 PolarHBondContact O-N 2.86Å; M1119-R1121 HydrophobicContact SD-CB 4.36Å; M1119-R1121 HydrophobicContact SD-CG 4.24Å
1120	A	36.8	Very low	48.6	Very low	56 Å²	56	78.5 Å²	78.5	46%	0.463	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-67.8	2.2	179.1	0	0	0	0	0	115.9	T798 C1122	T798-A1120 HydrophobicContact CG2-CB 4.48Å; A1120-C1122 VanDerWaalsContact C-N 3.29Å; A1120-C1122 PolarHBondContact O-N 2.98Å
1121	R	42.7	Very low	46.6	Very low	186 Å²	186	83 Å²	83	70%	0.702	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-82.8	-0.5	-175.1	-78.6	-170.9	170.2	-176.2	-5.3	114.6	M1119 A1123	M1119-R1121 HydrophobicContact CE-CG 3.96Å; M1119-R1121 PolarHBondContact O-N 2.86Å; M1119-R1121 HydrophobicContact SD-CB 4.36Å; M1119-R1121 HydrophobicContact SD-CG 4.24Å; R1121-A1123 PolarHBondContact O-N 2.84Å
1122	C	46.6	Very low	44.1	Very low	18 Å²	18	85.2 Å²	85.2	12%	0.122	58%	0.578	C	S	.	*	G	3₁₀ helix	trans	-75.1	7.5	175.4	-58.1	0	0	0	0	113.9	R966 C1086 A1120	R966-C1122 PolarHBondContact NH1-O 3.3Å; C1086-C1122 HydrophobicContact CB-CB 3.91Å; C1086-C1122 WeakPolarHBondContact CB-SG 3.47Å; C1086-C1122 WeakPolarHBondContact SG-CA 3.26Å; C1086-C1122 WeakPolarHBondContact SG-CB 3.13Å; C1086-C1122 CovalentContact SG-SG 2.01Å; C1086-C1122 PolarHBondContact SG-SG 2.81Å; A1120-C1122 VanDerWaalsContact C-N 3.29Å; A1120-C1122 PolarHBondContact O-N 2.98Å
1123	A	37.5	Very low	41.9	Very low	63 Å²	63	93.6 Å²	93.6	52%	0.521	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-111.1	-12.7	-174.9	0	0	0	0	0	116	T798 R1121 G1125	T798-A1123 HydrophobicContact CG2-CB 4.46Å; R1121-A1123 PolarHBondContact O-N 2.84Å; A1123-G1125 PolarHBondContact O-N 3.28Å
1124	A	36.4	Very low	39.7	Very low	85 Å²	85	94.8 Å²	94.8	70%	0.702	62%	0.615	S	S	*	*			trans	-88.7	101.1	-172.6	0	0	0	0	0	112.9
1125	G	32.9	Very low	37.7	Very low	59 Å²	59	99.7 Å²	99.7	61%	0.608	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-75.7	135.9	159.1	0	0	0	0	0	110.5	A1123 A1127	A1123-G1125 PolarHBondContact O-N 3.28Å; G1125-A1127 PolarHBondContact O-N 2.97Å
1126	A	27.4	Very low	35.8	Very low	109 Å²	109	98.3 Å²	98.3	90%	0.901	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-65.3	124	179.8	0	0	0	0	0	111.7
1127	A	27.3	Very low	34.9	Very low	100 Å²	100	103 Å²	103	83%	0.826	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-103.2	126.9	152.8	0	0	0	0	0	107.9	G1125	G1125-A1127 PolarHBondContact O-N 2.97Å
1128	S	28.4	Very low	33.5	Very low	127 Å²	127	114.4 Å²	114.4	89%	0.888	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-66.9	139.1	179.9	54.2	0	0	0	0	113.1
1129	G	27.6	Very low	32.4	Very low	73 Å²	73	118.9 Å²	118.9	75%	0.753	72%	0.724	S	S	*	*			trans	122.1	83.8	147.7	0	0	0	0	0	117.5
1130	S	25.4	Very low	31.4	Very low	116 Å²	116	120.9 Å²	120.9	81%	0.811	75%	0.751	S	S	*	*			trans	-178.8	142.2	138.7	42.8	0	0	0	0	109.5
1131	P	30.7	Very low	30.8	Very low	126 Å²	126	122.4 Å²	122.4	82%	0.818	77%	0.771	S	S	*	*			trans	-76.9	143.6	-166.9	32.5	-34.3	0	0	0	111.4	R1133	P1131-R1133 PolarHBondContact O-N 3.07Å
1132	A	26.6	Very low	30	Very low	100 Å²	100	117.1 Å²	117.1	83%	0.826	78%	0.775	S	S	*	*			trans	-55	131.6	175	0	0	0	0	0	111.3
1133	R	26.7	Very low	29	Very low	237 Å²	237	121.8 Å²	121.8	89%	0.894	82%	0.815	S	S	*	*			trans	-105	98.9	159	-134.6	177.4	173.4	176.7	-3	107.5	P1131	P1131-R1133 PolarHBondContact O-N 3.07Å
1134	E	29.3	Very low	28.5	Very low	179 Å²	179	122.1 Å²	122.1	84%	0.836	82%	0.824	S	S	*	*			trans	-55.2	133.6	161.5	-80	174.9	133.2	0	0	109.4
1135	L	26.8	Very low	28.1	Very low	163 Å²	163	130 Å²	130	85%	0.853	84%	0.836	S	S	*	*			trans	-147.5	103.7	146.6	-114.3	119.9	0	0	0	110.1
1136	A	26.4	Very low	27.8	Very low	85 Å²	85	132.9 Å²	132.9	70%	0.702	85%	0.846	S	S	*	*			trans	-69.1	167.7	160.6	0	0	0	0	0	110.5
1137	P	40.7	Very low	27.6	Very low	123 Å²	123	131.1 Å²	131.1	80%	0.799	84%	0.839	S	S	*	*			trans	-88.7	151.1	-156.9	35	-32.4	0	0	0	113
1138	R	26.3	Very low	27.9	Very low	254 Å²	254	132.2 Å²	132.2	96%	0.958	84%	0.838	S	S	*	*			trans	-138.4	131.1	160.2	-74.1	-159.1	176.2	-160	0.4	112.8
1139	L	29.6	Very low	28	Very low	177 Å²	177	133.3 Å²	133.3	93%	0.927	84%	0.839	S	S	*	*			trans	-82.1	158.3	166.3	-86	149.7	0	0	0	111.3
1140	A	26.8	Very low	28	Very low	103 Å²	103	136.6 Å²	136.6	85%	0.851	84%	0.839	S	S	*	*			trans	92.8	128.8	150.6	0	0	0	0	0	120.9
1141	G	25.5	Very low	28.2	Very low	87 Å²	87	139.8 Å²	139.8	90%	0.897	84%	0.841	S	S	*	*			trans	80.8	131.9	153.4	0	0	0	0	0	115
1142	G	25.5	Very low	28	Very low	76 Å²	76	137.3 Å²	137.3	78%	0.784	84%	0.839	S	S	*	*			cis	143.9	133.8	16.2	0	0	0	0	0	108
1143	A	25.6	Very low	27.9	Very low	116 Å²	116	141.5 Å²	141.5	96%	0.959	84%	0.841	S	S	*	*			trans	77.1	129.5	155.4	0	0	0	0	0	122.1
1144	G	25.7	Very low	28.3	Very low	69 Å²	69	135 Å²	135	71%	0.711	83%	0.83	S	S	*	*			trans	119.8	79.2	146.8	0	0	0	0	0	115.5
1145	R	27.8	Very low	28.2	Very low	252 Å²	252	133.8 Å²	133.8	95%	0.951	83%	0.828	S	S	*	*				59.3	127.5	96.9	-76.4	-176.5	170	-174.2	-3.3	113.6
1146	S	26.8	Very low	28.2	Very low	118 Å²	118	131.6 Å²	131.6	83%	0.825	82%	0.821	S	S	*	*				-161.6	143.7	51.1	48.9	0	0	0	0	114
1147	G	24.8	Very low	28.2	Very low	72 Å²	72	134.8 Å²	134.8	74%	0.742	83%	0.826	S	S	*	*			trans	-79.6	-151.7	172.6	0	0	0	0	0	114.2
1148	P	33.6	Very low	27.6	Very low	124 Å²	124	133 Å²	133	81%	0.805	82%	0.822	S	S	*	*			cis	-135.6	160.1	30.1	39	-21.3	0	0	0	116.3
1149	V	29.3	Very low	27.9	Very low	150 Å²	150	127.4 Å²	127.4	91%	0.909	81%	0.811	S	S	*	*			trans	-141.9	125.7	148.8	179.8	0	0	0	0	107.4
1150	D	28.3	Very low	28.2	Very low	142 Å²	142	128.8 Å²	128.8	76%	0.759	80%	0.804	S	S	*	*			trans	-131.9	146.7	172.1	-151.8	9.2	0	0	0	103.5
1151	E	28.3	Very low	28.5	Very low	182 Å²	182	133.7 Å²	133.7	85%	0.85	80%	0.801	S	S	*	*			cis	-150.1	163.6	31	-62.7	175.3	139	0	0	107.3
1152	G	26.8	Very low	28.9	Very low	75 Å²	75	135.8 Å²	135.8	77%	0.773	79%	0.791	S	S	*	*			cis	-171.7	167.1	8.9	0	0	0	0	0	113
1153	E	24.4	Very low	30.1	Very low	188 Å²	188	137.8 Å²	137.8	88%	0.879	79%	0.793	S	S	*	*			trans	-78	-179.6	173.5	-109	-172.8	-172.8	0	0	111.9
1154	P	36.3	Very low	31.1	Very low	101 Å²	101	136.3 Å²	136.3	66%	0.656	78%	0.781	S	S	*	*			cis	-151.8	-176.9	31.6	46.3	-24.9	0	0	0	119.5
1155	L	26.3	Very low	32.3	Very low	153 Å²	153	137.9 Å²	137.9	80%	0.801	78%	0.777	S	S	*	*			trans	93.2	89.5	149.2	-69.7	166.4	0	0	0	123.1
1156	V	27.6	Very low	33.6	Very low	117 Å²	117	131.8 Å²	131.8	71%	0.709	76%	0.762	S	S	*	*				1.2	121.2	116.5	-173.8	0	0	0	0	119.5
1157	N	26.8	Very low	34.8	Very low	151 Å²	151	128.5 Å²	128.5	81%	0.807	75%	0.746	S	S	*	*				161.7	138.1	105.7	-107.6	-23.7	0	0	0	115.8
1158	A	28.6	Very low	36.1	Very low	86 Å²	86	126.8 Å²	126.8	71%	0.711	73%	0.729	S	S	*	*			trans	59.8	147.5	144.7	0	0	0	0	0	120
1159	D	32.1	Very low	37.7	Very low	137 Å²	137	125.2 Å²	125.2	73%	0.733	72%	0.717	S	S	*	*			cis	-166.3	137.8	9.5	-120	-28.7	0	0	0	106.2
1160	R	34.9	Very low	39.5	Very low	206 Å²	206	122.7 Å²	122.7	78%	0.777	70%	0.697	S	S	*	*				57.5	113	105	-136.9	-178.8	-176.4	-179.3	3.4	115.4
1161	R	34	Very low	41.2	Very low	205 Å²	205	118.7 Å²	118.7	77%	0.774	68%	0.684	S	S	*	*				168.3	144.4	86.9	-77.2	-176.5	-176.7	-163.9	1.6	105.7
1162	D	34.3	Very low	43.2	Very low	132 Å²	132	114.1 Å²	114.1	71%	0.706	67%	0.668	S	S	*	*				-161.2	121.9	70.9	-82.2	-42.3	0	0	0	111.2
1163	S	49.4	Very low	45.3	Very low	117 Å²	117	116.5 Å²	116.5	82%	0.818	66%	0.659	S	S	*	*	S	Bend	trans	-143.3	19.7	164.3	-84.2	0	0	0	0	112.5
1164	A	46.9	Very low	47.8	Very low	85 Å²	85	112 Å²	112	70%	0.702	64%	0.64	S	S	*	*	S	Bend	trans	-94.7	-15.3	178.2	0	0	0	0	0	113.6
1165	V	50.7	Low	49.8	Very low	102 Å²	102	113.8 Å²	113.8	62%	0.618	64%	0.638	S	S	*	*	H	α-helix	trans	-82.9	-35.7	-175.8	-175.7	0	0	0	0	112	G1168 V1169	V1165-G1168 PolarHBondContact O-N 3.46Å; V1165-V1169 WeakPolarHBondContact O-CG2 3.47Å; V1165-V1169 PolarHBondContact O-N 3.04Å
1166	I	54.9	Low	52.4	Low	124 Å²	124	110.8 Å²	110.8	64%	0.636	62%	0.621	S	S	*	*	H	α-helix	trans	-74.2	-37.2	-177.2	-59.1	173.5	0	0	0	111.5	G1168 I1170	I1166-G1168 VanDerWaalsContact C-N 3.32Å; I1166-G1168 PolarHBondContact O-N 2.94Å; I1166-I1170 HydrophobicContact CG2-CD1 3.99Å; I1166-I1170 WeakPolarHBondContact O-CD1 3.44Å; I1166-I1170 WeakPolarHBondContact O-CG1 3.31Å; I1166-I1170 PolarHBondContact O-N 3.24Å
1167	G	52.3	Low	54.8	Low	49 Å²	49	110 Å²	110	51%	0.505	61%	0.613	S	S	.	*	H	α-helix	trans	-67.3	-30.9	174.4	0	0	0	0	0	113.5	A1171	G1167-A1171 WeakPolarHBondContact O-CB 3.28Å; G1167-A1171 PolarHBondContact O-N 3.08Å; G1167-A1171 VanDerWaalsContact O-N 3.17Å
1168	G	53	Low	57.5	Low	36 Å²	36	107.9 Å²	107.9	37%	0.371	60%	0.601	S	S	.	*	H	α-helix	trans	-71.3	-43.1	178.3	0	0	0	0	0	113.2	V1165 I1166 A1171 V1172	V1165-G1168 PolarHBondContact O-N 3.46Å; I1166-G1168 VanDerWaalsContact C-N 3.32Å; I1166-G1168 PolarHBondContact O-N 2.94Å; G1168-A1171 PolarHBondContact O-N 2.89Å; G1168-V1172 VanDerWaalsContact O-CG2 3.32Å; G1168-V1172 WeakPolarHBondContact O-CG2 3.05Å; G1168-V1172 PolarHBondContact O-N 2.76Å
1169	V	66.6	Low	59.8	Low	91 Å²	91	106 Å²	106	55%	0.552	58%	0.582	S	S	*	*	H	α-helix	trans	-66.6	-41.1	179.5	177.8	0	0	0	0	111.1	V1165 A1171 V1172 E1173	V1165-V1169 WeakPolarHBondContact O-CG2 3.47Å; V1165-V1169 PolarHBondContact O-N 3.04Å; V1169-A1171 PolarHBondContact O-N 3.38Å; V1169-V1172 PolarHBondContact O-N 3.48Å; V1169-E1173 PolarHBondContact O-N 3.2Å
1170	I	66.1	Low	62.3	Low	98 Å²	98	104.3 Å²	104.3	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-66.5	-38.4	178.1	-63.5	170.2	0	0	0	111.1	I1166 I1174	I1166-I1170 HydrophobicContact CG2-CD1 3.99Å; I1166-I1170 WeakPolarHBondContact O-CD1 3.44Å; I1166-I1170 WeakPolarHBondContact O-CG1 3.31Å; I1166-I1170 PolarHBondContact O-N 3.24Å; I1170-I1174 HydrophobicContact CG2-CD1 3.9Å; I1170-I1174 VanDerWaalsContact O-CG1 3.27Å; I1170-I1174 WeakPolarHBondContact O-CG1 3.34Å; I1170-I1174 PolarHBondContact O-N 3.04Å
1171	A	65.9	Low	64.4	Low	58 Å²	58	97.9 Å²	97.9	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-67	-36	175.8	0	0	0	0	0	112.7	G1167 G1168 V1169 F1175	G1167-A1171 WeakPolarHBondContact O-CB 3.28Å; G1167-A1171 PolarHBondContact O-N 3.08Å; G1167-A1171 VanDerWaalsContact O-N 3.17Å; G1168-A1171 PolarHBondContact O-N 2.89Å; V1169-A1171 PolarHBondContact O-N 3.38Å; A1171-F1175 VanDerWaalsContact O-CB 3.3Å; A1171-F1175 WeakPolarHBondContact O-CB 3.3Å; A1171-F1175 PolarHBondContact O-N 2.81Å
1172	V	69.5	Low	66.7	Low	86 Å²	86	90.8 Å²	90.8	52%	0.521	54%	0.541	S	S	.	.	H	α-helix	trans	-69.8	-41.8	176.5	171.8	0	0	0	0	111.4	G1168 V1169 F1175 I1176	G1168-V1172 VanDerWaalsContact O-CG2 3.32Å; G1168-V1172 WeakPolarHBondContact O-CG2 3.05Å; G1168-V1172 PolarHBondContact O-N 2.76Å; V1169-V1172 PolarHBondContact O-N 3.48Å; V1172-F1175 PolarHBondContact O-N 2.03Å; V1172-I1176 HydrophobicContact CG1-CD1 3.82Å; V1172-I1176 HydrophobicContact CG1-CG1 4.4Å; V1172-I1176 VanDerWaalsContact O-CG1 3.28Å; V1172-I1176 WeakPolarHBondContact O-CG1 3.48Å; V1172-I1176 PolarHBondContact O-N 2.73Å
1173	E	69.8	Low	69	Low	125 Å²	125	89.4 Å²	89.4	58%	0.584	53%	0.532	S	S	*	.	H	α-helix	trans	-59.9	-47.2	173.6	-86.4	-107.4	146.9	0	0	112.1	V1169 F1175 I1176 L1177	V1169-E1173 PolarHBondContact O-N 3.2Å; E1173-F1175 VanDerWaalsContact C-N 3.29Å; E1173-F1175 PolarHBondContact O-N 2.78Å; E1173-I1176 PolarHBondContact O-N 3.15Å; E1173-L1177 PolarHBondContact O-N 2.87Å
1174	I	77.6	Confident	70.4	Confident	92 Å²	92	86.3 Å²	86.3	47%	0.472	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-39.2	176.8	-67.3	168.6	0	0	0	110.6	I1170 L1177 L1178	I1170-I1174 HydrophobicContact CG2-CD1 3.9Å; I1170-I1174 VanDerWaalsContact O-CG1 3.27Å; I1170-I1174 WeakPolarHBondContact O-CG1 3.34Å; I1170-I1174 PolarHBondContact O-N 3.04Å; I1174-L1177 PolarHBondContact O-N 3.11Å; I1174-L1178 HydrophobicContact CG2-CD1 3.95Å; I1174-L1178 HydrophobicContact CG2-CG 4.42Å; I1174-L1178 WeakPolarHBondContact O-CB 3.31Å; I1174-L1178 VanDerWaalsContact O-CG 3.3Å; I1174-L1178 WeakPolarHBondContact O-CG 3.31Å; I1174-L1178 PolarHBondContact O-N 3.24Å
1175	F	78.2	Confident	71.9	Confident	139 Å²	139	87 Å²	87	61%	0.61	51%	0.505	S	S	*	.	H	α-helix	trans	-69	-37.4	177.9	-169.6	-98.6	0	0	0	112.8	A1171 V1172 E1173 L1178 C1179	A1171-F1175 VanDerWaalsContact O-CB 3.3Å; A1171-F1175 WeakPolarHBondContact O-CB 3.3Å; A1171-F1175 PolarHBondContact O-N 2.81Å; V1172-F1175 PolarHBondContact O-N 2.03Å; E1173-F1175 VanDerWaalsContact C-N 3.29Å; E1173-F1175 PolarHBondContact O-N 2.78Å; F1175-L1178 PolarHBondContact O-N 3.01Å; F1175-C1179 VanDerWaalsContact CE1-SG 3.51Å; F1175-C1179 WeakPolarHBondContact O-CB 3.08Å; F1175-C1179 PolarHBondContact O-N 2.81Å; F1175-C1179 PolarHBondContact O-SG 3.02Å
1176	I	81.2	Confident	73.1	Confident	90 Å²	90	91 Å²	91	46%	0.462	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-43.2	174.1	-69.7	168.1	0	0	0	110.2	V1172 E1173 C1179 I1180	V1172-I1176 HydrophobicContact CG1-CD1 3.82Å; V1172-I1176 HydrophobicContact CG1-CG1 4.4Å; V1172-I1176 VanDerWaalsContact O-CG1 3.28Å; V1172-I1176 WeakPolarHBondContact O-CG1 3.48Å; V1172-I1176 PolarHBondContact O-N 2.73Å; E1173-I1176 PolarHBondContact O-N 3.15Å; I1176-C1179 PolarHBondContact O-N 3.35Å; I1176-I1180 HydrophobicContact CG2-CD1 3.8Å; I1176-I1180 HydrophobicContact CG2-CG1 4.41Å; I1176-I1180 VanDerWaalsContact O-CG1 3.32Å; I1176-I1180 WeakPolarHBondContact O-CG1 3.07Å; I1176-I1180 PolarHBondContact O-N 3.43Å
1177	L	78.8	Confident	74.1	Confident	102 Å²	102	89.1 Å²	89.1	53%	0.534	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-40.7	175.9	-78.4	162.1	0	0	0	112.3	E1173 I1174 I1180 T1181	E1173-L1177 PolarHBondContact O-N 2.87Å; I1174-L1177 PolarHBondContact O-N 3.11Å; L1177-I1180 PolarHBondContact O-N 3.21Å; L1177-T1181 WeakPolarHBondContact O-CB 3.19Å; L1177-T1181 WeakPolarHBondContact O-CG2 3.34Å; L1177-T1181 PolarHBondContact O-N 2.91Å; L1177-T1181 PolarHBondContact O-OG1 3.32Å
1178	L	82.2	Confident	75.2	Confident	106 Å²	106	94.5 Å²	94.5	56%	0.555	51%	0.506	S	S	*	.	H	α-helix	trans	-65.9	-36.3	173.3	-74.3	171.8	0	0	0	112.1	I1174 F1175 T1181 A1182	I1174-L1178 HydrophobicContact CG2-CD1 3.95Å; I1174-L1178 HydrophobicContact CG2-CG 4.42Å; I1174-L1178 WeakPolarHBondContact O-CB 3.31Å; I1174-L1178 VanDerWaalsContact O-CG 3.3Å; I1174-L1178 WeakPolarHBondContact O-CG 3.31Å; I1174-L1178 PolarHBondContact O-N 3.24Å; F1175-L1178 PolarHBondContact O-N 3.01Å; L1178-T1181 VanDerWaalsContact CA-OG1 3.28Å; L1178-T1181 WeakPolarHBondContact CA-OG1 3.23Å; L1178-T1181 PolarHBondContact O-OG1 3.28Å; L1178-A1182 VanDerWaalsContact O-CB 3.25Å; L1178-A1182 WeakPolarHBondContact O-CB 3.4Å; L1178-A1182 PolarHBondContact O-N 3.1Å
1179	C	78	Confident	76.1	Confident	47 Å²	47	98.2 Å²	98.2	32%	0.318	51%	0.513	S	S	.	.	H	α-helix	trans	-68	-44.2	174.5	-73.1	0	0	0	0	112.2	F1175 I1176 A1182 I1183	F1175-C1179 VanDerWaalsContact CE1-SG 3.51Å; F1175-C1179 WeakPolarHBondContact O-CB 3.08Å; F1175-C1179 PolarHBondContact O-N 2.81Å; F1175-C1179 PolarHBondContact O-SG 3.02Å; I1176-C1179 PolarHBondContact O-N 3.35Å; C1179-A1182 PolarHBondContact O-N 3.44Å; C1179-I1183 WeakPolarHBondContact O-CB 3.19Å; C1179-I1183 VanDerWaalsContact O-CG1 3.23Å; C1179-I1183 WeakPolarHBondContact O-CG1 3.12Å; C1179-I1183 PolarHBondContact O-N 2.95Å
1180	I	84.1	Confident	76.2	Confident	100 Å²	100	100.5 Å²	100.5	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-64.3	-42.8	177.9	-68.1	168.1	0	0	0	110.4	I1176 L1177 I1183 A1184	I1176-I1180 HydrophobicContact CG2-CD1 3.8Å; I1176-I1180 HydrophobicContact CG2-CG1 4.41Å; I1176-I1180 VanDerWaalsContact O-CG1 3.32Å; I1176-I1180 WeakPolarHBondContact O-CG1 3.07Å; I1176-I1180 PolarHBondContact O-N 3.43Å; L1177-I1180 PolarHBondContact O-N 3.21Å; I1180-I1183 PolarHBondContact O-N 2.63Å; I1180-A1184 WeakPolarHBondContact O-CB 3.37Å; I1180-A1184 PolarHBondContact O-N 2.97Å
1181	T	79.2	Confident	76.3	Confident	72 Å²	72	104.6 Å²	104.6	44%	0.442	53%	0.527	S	S	.	.	H	α-helix	trans	-66.4	-40.2	176.4	46.1	0	0	0	0	111.9	L1177 L1178 A1184 I1185	L1177-T1181 WeakPolarHBondContact O-CB 3.19Å; L1177-T1181 WeakPolarHBondContact O-CG2 3.34Å; L1177-T1181 PolarHBondContact O-N 2.91Å; L1177-T1181 PolarHBondContact O-OG1 3.32Å; L1178-T1181 VanDerWaalsContact CA-OG1 3.28Å; L1178-T1181 WeakPolarHBondContact CA-OG1 3.23Å; L1178-T1181 PolarHBondContact O-OG1 3.28Å; T1181-A1184 PolarHBondContact O-N 3.11Å; T1181-I1185 WeakPolarHBondContact O-CB 3.25Å; T1181-I1185 VanDerWaalsContact O-CG1 3.22Å; T1181-I1185 WeakPolarHBondContact O-CG1 3.32Å; T1181-I1185 PolarHBondContact O-N 3.15Å
1182	A	82.2	Confident	76.1	Confident	56 Å²	56	107.6 Å²	107.6	46%	0.463	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-41.5	173.3	0	0	0	0	0	112.4	L1178 C1179 I1185 R1186	L1178-A1182 VanDerWaalsContact O-CB 3.25Å; L1178-A1182 WeakPolarHBondContact O-CB 3.4Å; L1178-A1182 PolarHBondContact O-N 3.1Å; C1179-A1182 PolarHBondContact O-N 3.44Å; A1182-I1185 PolarHBondContact O-N 3.46Å; A1182-R1186 WeakPolarHBondContact O-CB 3.33Å; A1182-R1186 PolarHBondContact O-N 3.17Å
1183	I	81.4	Confident	75.5	Confident	102 Å²	102	108.5 Å²	108.5	52%	0.523	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-42.9	175.1	-68.9	165.1	0	0	0	110.4	C1179 I1180 R1186 I1187	C1179-I1183 WeakPolarHBondContact O-CB 3.19Å; C1179-I1183 VanDerWaalsContact O-CG1 3.23Å; C1179-I1183 WeakPolarHBondContact O-CG1 3.12Å; C1179-I1183 PolarHBondContact O-N 2.95Å; I1180-I1183 PolarHBondContact O-N 2.63Å; I1183-R1186 PolarHBondContact O-N 2.84Å; I1183-I1187 HydrophobicContact CG2-CD1 3.75Å; I1183-I1187 HydrophobicContact CG2-CG1 4.35Å; I1183-I1187 WeakPolarHBondContact O-CB 3.27Å; I1183-I1187 VanDerWaalsContact O-CG1 3.29Å; I1183-I1187 WeakPolarHBondContact O-CG1 3.24Å; I1183-I1187 PolarHBondContact O-N 2.92Å
1184	A	79.1	Confident	74.9	Confident	53 Å²	53	111.4 Å²	111.4	44%	0.438	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-42.5	176.3	0	0	0	0	0	111.9	I1180 T1181 R1186 I1187 Y1188	I1180-A1184 WeakPolarHBondContact O-CB 3.37Å; I1180-A1184 PolarHBondContact O-N 2.97Å; T1181-A1184 PolarHBondContact O-N 3.11Å; A1184-R1186 VanDerWaalsContact C-N 3.33Å; A1184-R1186 PolarHBondContact O-N 3.08Å; A1184-I1187 PolarHBondContact O-N 2.98Å; A1184-Y1188 VanDerWaalsContact O-CB 3.23Å; A1184-Y1188 WeakPolarHBondContact O-CB 3.19Å; A1184-Y1188 PolarHBondContact O-N 3.11Å
1185	I	79.6	Confident	73.7	Confident	98 Å²	98	114.7 Å²	114.7	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-62.9	-40.5	174.1	-69.6	165.7	0	0	0	110.3	T1181 A1182 Y1188 Q1189	T1181-I1185 WeakPolarHBondContact O-CB 3.25Å; T1181-I1185 VanDerWaalsContact O-CG1 3.22Å; T1181-I1185 WeakPolarHBondContact O-CG1 3.32Å; T1181-I1185 PolarHBondContact O-N 3.15Å; A1182-I1185 PolarHBondContact O-N 3.46Å; I1185-Y1188 PolarHBondContact O-N 3.14Å; I1185-Q1189 HydrophobicContact CG2-CG 4.41Å; I1185-Q1189 WeakPolarHBondContact O-CB 2.9Å; I1185-Q1189 WeakPolarHBondContact O-CG 3.48Å; I1185-Q1189 PolarHBondContact O-N 3.2Å
1186	R	75.4	Confident	72.6	Confident	187 Å²	187	112.9 Å²	112.9	71%	0.706	54%	0.54	S	S	*	.	H	α-helix	trans	-68.1	-40.3	178.1	-142.7	-179.3	-169.2	-168.5	3.3	112.3	A1182 I1183 A1184 Q1189 Q1190	A1182-R1186 WeakPolarHBondContact O-CB 3.33Å; A1182-R1186 PolarHBondContact O-N 3.17Å; I1183-R1186 PolarHBondContact O-N 2.84Å; A1184-R1186 VanDerWaalsContact C-N 3.33Å; A1184-R1186 PolarHBondContact O-N 3.08Å; R1186-Q1189 PolarHBondContact O-N 3.34Å; R1186-Q1190 WeakPolarHBondContact O-CB 3.49Å; R1186-Q1190 WeakPolarHBondContact O-CG 3.43Å; R1186-Q1190 PolarHBondContact O-N 3.2Å
1187	I	76.8	Confident	71	Confident	84 Å²	84	114 Å²	114	43%	0.431	55%	0.547	S	S	.	.	H	α-helix	trans	-65.8	-40.5	173.8	-69.2	169.3	0	0	0	110.4	I1183 A1184 Q1190 R1191	I1183-I1187 HydrophobicContact CG2-CD1 3.75Å; I1183-I1187 HydrophobicContact CG2-CG1 4.35Å; I1183-I1187 WeakPolarHBondContact O-CB 3.27Å; I1183-I1187 VanDerWaalsContact O-CG1 3.29Å; I1183-I1187 WeakPolarHBondContact O-CG1 3.24Å; I1183-I1187 PolarHBondContact O-N 2.92Å; A1184-I1187 PolarHBondContact O-N 2.98Å; I1187-Q1190 PolarHBondContact O-N 3.43Å; I1187-R1191 WeakPolarHBondContact O-CB 3.42Å; I1187-R1191 WeakPolarHBondContact O-CG 3.48Å; I1187-R1191 PolarHBondContact O-N 3.36Å
1188	Y	75.2	Confident	69.6	Low	163 Å²	163	115.3 Å²	115.3	64%	0.639	55%	0.551	S	S	*	*	H	α-helix	trans	-65.4	-44.5	176.9	-175.5	-96.6	0	0	0	111.6	A1184 I1185 R1191 K1192	A1184-Y1188 VanDerWaalsContact O-CB 3.23Å; A1184-Y1188 WeakPolarHBondContact O-CB 3.19Å; A1184-Y1188 PolarHBondContact O-N 3.11Å; I1185-Y1188 PolarHBondContact O-N 3.14Å; Y1188-R1191 PolarHBondContact O-N 3.03Å; Y1188-K1192 WeakPolarHBondContact O-CB 3.41Å; Y1188-K1192 PolarHBondContact O-N 3.13Å
1189	Q	70.9	Confident	68	Low	114 Å²	114	113.8 Å²	113.8	53%	0.533	55%	0.549	S	S	.	.	H	α-helix	trans	-65.4	-39.5	174.9	-74.5	-177.6	-8.4	0	0	112.2	I1185 R1186 K1192 L1193	I1185-Q1189 HydrophobicContact CG2-CG 4.41Å; I1185-Q1189 WeakPolarHBondContact O-CB 2.9Å; I1185-Q1189 WeakPolarHBondContact O-CG 3.48Å; I1185-Q1189 PolarHBondContact O-N 3.2Å; R1186-Q1189 PolarHBondContact O-N 3.34Å; Q1189-K1192 PolarHBondContact O-N 3.47Å; Q1189-L1193 PolarHBondContact O-N 3.39Å
1190	Q	68.9	Low	66.4	Low	138 Å²	138	119.8 Å²	119.8	65%	0.645	57%	0.57	S	S	*	*	H	α-helix	trans	-65.7	-38.9	173.9	-81.4	-170.2	-21.5	0	0	112.6	R1186 I1187 R1194	R1186-Q1190 WeakPolarHBondContact O-CB 3.49Å; R1186-Q1190 WeakPolarHBondContact O-CG 3.43Å; R1186-Q1190 PolarHBondContact O-N 3.2Å; I1187-Q1190 PolarHBondContact O-N 3.43Å; Q1190-R1194 WeakPolarHBondContact O-CB 3.45Å; Q1190-R1194 PolarHBondContact O-N 2.79Å
1191	R	68.7	Low	64.5	Low	185 Å²	185	120.6 Å²	120.6	70%	0.698	58%	0.579	S	S	*	*	H	α-helix	trans	-67.1	-36.3	173.4	-80.4	-176.7	173.6	-179.6	-1	112.4	I1187 Y1188 R1194 K1195	I1187-R1191 WeakPolarHBondContact O-CB 3.42Å; I1187-R1191 WeakPolarHBondContact O-CG 3.48Å; I1187-R1191 PolarHBondContact O-N 3.36Å; Y1188-R1191 PolarHBondContact O-N 3.03Å; R1191-R1194 PolarHBondContact O-N 3.33Å; R1191-K1195 PolarHBondContact O-N 3.42Å
1192	K	61.4	Low	62.6	Low	120 Å²	120	122.1 Å²	122.1	52%	0.522	59%	0.593	S	S	.	*	H	α-helix	trans	-66.4	-43.7	176	-168.6	176.8	178.4	-177.8	0	111.6	Y1188 Q1189 K1195 E1196	Y1188-K1192 WeakPolarHBondContact O-CB 3.41Å; Y1188-K1192 PolarHBondContact O-N 3.13Å; Q1189-K1192 PolarHBondContact O-N 3.47Å; K1192-K1195 PolarHBondContact O-N 3Å; K1192-E1196 PolarHBondContact O-N 3.4Å
1193	L	56.7	Low	60.8	Low	106 Å²	106	128.8 Å²	128.8	56%	0.555	61%	0.611	S	S	*	*	H	α-helix	trans	-67.6	-32.5	174.9	-80.3	158.1	0	0	0	113	Q1189 N1197	Q1189-L1193 PolarHBondContact O-N 3.39Å; L1193-N1197 PolarHBondContact O-N 2.87Å
1194	R	56.3	Low	59	Low	186 Å²	186	132.9 Å²	132.9	70%	0.702	63%	0.625	S	S	*	*	H	α-helix	trans	-69.2	-38.3	174.3	-152.2	175.2	-172.1	178.9	2.2	112.3	Q1190 R1191 N1197 E1198	Q1190-R1194 WeakPolarHBondContact O-CB 3.45Å; Q1190-R1194 PolarHBondContact O-N 2.79Å; R1191-R1194 PolarHBondContact O-N 3.33Å; R1194-N1197 PolarHBondContact O-N 3.4Å; R1194-E1198 PolarHBondContact O-N 3.03Å; R1194-E1198 VanDerWaalsContact O-N 3.16Å
1195	K	53.4	Low	57.1	Low	160 Å²	160	139 Å²	139	70%	0.696	65%	0.645	S	S	*	*	H	α-helix	trans	-71.6	-33.4	174	-86.4	-175.4	170.8	-174.8	0	113.8	R1191 K1192 N1197 S1199	R1191-K1195 PolarHBondContact O-N 3.42Å; K1192-K1195 PolarHBondContact O-N 3Å; K1195-N1197 VanDerWaalsContact C-N 3.33Å; K1195-S1199 WeakPolarHBondContact O-CB 3.31Å; K1195-S1199 PolarHBondContact O-N 3.35Å; K1195-S1199 PolarHBondContact O-OG 3.22Å
1196	E	55.3	Low	54.9	Low	101 Å²	101	143.3 Å²	143.3	47%	0.472	66%	0.663	S	S	.	*	H	α-helix	trans	-71.3	-25.7	173.8	-82.8	179.4	176.7	0	0	113.2	K1192 S1199	K1192-E1196 PolarHBondContact O-N 3.4Å; E1196-S1199 WeakPolarHBondContact CA-OG 3.35Å; E1196-S1199 PolarHBondContact O-OG 2.97Å
1197	N	46.7	Very low	53.2	Low	113 Å²	113	144.1 Å²	144.1	60%	0.604	70%	0.695	S	S	*	*	H	α-helix	trans	-82.3	-32.6	172.6	-85.3	-8	0	0	0	113.8	L1193 R1194 K1195 V1201	L1193-N1197 PolarHBondContact O-N 2.87Å; R1194-N1197 PolarHBondContact O-N 3.4Å; K1195-N1197 VanDerWaalsContact C-N 3.33Å; N1197-V1201 WeakPolarHBondContact O-CG2 3.07Å
1198	E	51.1	Low	52	Low	131 Å²	131	147.1 Å²	147.1	61%	0.612	71%	0.708	S	S	*	*	H	α-helix	trans	-71	-31.6	173.6	-79.3	172.6	175.5	0	0	112.4	R1194	R1194-E1198 PolarHBondContact O-N 3.03Å; R1194-E1198 VanDerWaalsContact O-N 3.16Å
1199	S	47	Very low	50.8	Low	74 Å²	74	146.3 Å²	146.3	52%	0.517	71%	0.711	S	S	.	*	H	α-helix	trans	-78.9	-14.1	178	54.2	0	0	0	0	114.9	K1195 E1196	K1195-S1199 WeakPolarHBondContact O-CB 3.31Å; K1195-S1199 PolarHBondContact O-N 3.35Å; K1195-S1199 PolarHBondContact O-OG 3.22Å; E1196-S1199 WeakPolarHBondContact CA-OG 3.35Å; E1196-S1199 PolarHBondContact O-OG 2.97Å
1200	K	44.6	Very low	49.6	Very low	172 Å²	172	148.1 Å²	148.1	75%	0.748	72%	0.721	S	S	*	*	H	α-helix	trans	-92.3	-14.5	173.4	-82.7	-178.8	176.7	174.7	0	114.1
1201	V	44.3	Very low	48.5	Very low	118 Å²	118	148.6 Å²	148.6	72%	0.715	73%	0.726	S	S	*	*	H	α-helix	trans	-90.5	-24.6	177.7	175.7	0	0	0	0	112.6	N1197	N1197-V1201 WeakPolarHBondContact O-CG2 3.07Å
1202	S	40.5	Very low	47.3	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	4.5	-177.7	-172.8	0	0	0	0	115.9
1203	K	44.4	Very low	46.3	Very low	196 Å²	196	148.1 Å²	148.1	85%	0.852	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	20.1	176.7	-99.3	-175.4	178.4	-180	0	113.7
1204	K	43.6	Very low	45.6	Very low	188 Å²	188	151.1 Å²	151.1	82%	0.817	76%	0.755	S	S	*	*	S	Bend	trans	-142.7	50.7	179.5	-129.6	-171.2	-170.9	-172.6	0	111.6
1205	E	37.8	Very low	44.7	Very low	182 Å²	182	148.5 Å²	148.5	85%	0.85	76%	0.759	S	S	*	*			trans	-160.8	140.4	160.5	-111.4	160.3	-161.2	0	0	109.1
1206	E	34.8	Very low	44	Very low	188 Å²	188	147.5 Å²	147.5	88%	0.879	76%	0.764	S	S	*	*			trans	81.8	114.6	179.4	-56.9	-178.2	165.2	0	0	117.4
1207	C	38.3	Very low	43	Very low	203 Å²	203	151.7 Å²	151.7	100%	1.372	79%	0.79	S	S	*	*			cis	44.2	0	9.5	-96.6	0	0	0	0	118.2

Retrieved 1,207 of 1,207 residues in 914.4 ms (Link to these results)

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