A0A5K4FES7_SCHMA Loading...

Diacylglycerol kinase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FES7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,265 aa.

						>A0A5K4FES7_SCHMA|A0A5K4FES7
MELEIRKPTKKQQQQNQGNIESLHTSSSTLCSFIPATPNWTNAAIIGEHLWNETTSNETCYIDESECTKSGAKRKCSVCHIVCHVNCLPLVQVSCRPTFREAFIHDYRTEKTYTTHHWIKRRKQNKKCKQCGKSLQSILGFSSKEYITIQCTWCKIGYHNKSSCFRESYLTEPCSLGSYSDLIVPPDWIIKLTERVSFFSFISIYLYISMYTLLSFLSFVTPSCLSNCDENINQIRSLISRPNSLDHSNHIINNNNNNNNISDQLSSKTSITTVHEDIQPISISQANIYIEPKISFVIKTNPINTASLKPILVFLNPKSGGNQGLNLLKKFQWLLNPRQVFDVSKGGPKMGLELFSRVPNLRILVCGGDGTVGWIFSTIDLMNFNTIPPVAVLPLGTGNDLARALNWGSGYIDESVSKVLNSVYEGRVIALDRWQVNSEVRTDFQTTQQLTDYEDDDSTRNRPISDVLPLKVFNNYFSLGADAATALQFHESREANPEKFNSRLKNKLFYAGLGGKDLLRRSWRDLSEHITLICDDKDLTPLIRSLKPHCILFLNIPRYGSGTLPWGQPTTEFQPQRIDDGYIEVIGLTSTSLATLQIGGHGDRICQCRRVHLTTDIVIPMQMDGEPCRLMPSKIDIFCSHQALVIQKLTRSPISAVMSNEDENHLQWKTIGYETRINVFVIALKNYDKMSDDVISLRQTAIWIGIITAKYDTDLSTVRKIITQLNEDTIQDHLYNENSESMETNLKFRVHLSDSWVFIDSTTAASRFFRIDKEQENVHFLTDVCNMEDLFLIDSILESHLTYNNPTTDSFMDDNVLHPLPPPTSLLRDDNDNQLNQFGAKASNLTASDNQNENNDDDDDDDDDDNSIDDGDNDDEDDDDCMNKTQTKNLFISTNNMSVEGEIFIPNDDMIHSTSVLDNESSGDKQANRLIYTIYEINQSNHKNNHNITNTNDCSGSASSSTSSSIQDTSSTLTTNYSTNILPNDNNNIPRDSSLLHKNRQQRDSMFTTNDFIELVNSDSEIIMKHKTESEIEQYKENNDILLINCENDDNLTNESSNNTIEIQVISSDKDPIHEDDDDDDDNDINVTTLVQEINNLSLKSKNYHSNQMFEKLLLPNISKQLQYYLNKALLRASHNGLIDHVELLLNAGASIHALDKYGRSCLHLAAKFGHVKVIEHLLKYIPEKLIDLQEYEKNQTALHKAAASRRRVICKILITAGACPTITDIYGKQPSNLALKANDPQLATYLKREEIFFIITNGVEKVDV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	28.8	Very low	240 Å²	240	186.2 Å²	186.2	100%	1.182	89%	0.893	S	S	*	*				0	120.7	0	-60.6	176.7	-162.4	0	0	106.5
2	E	28.4	Very low	28.8	Very low	198 Å²	198	187.5 Å²	187.5	93%	0.925	90%	0.897	S	S	*	*			trans	-79.5	123.9	177.8	-66.7	172.1	118.1	0	0	109.2
3	L	32.1	Very low	28.7	Very low	165 Å²	165	187.5 Å²	187.5	86%	0.864	90%	0.896	S	S	*	*			trans	-93.4	99.6	174.3	-84.2	164.8	0	0	0	108.9	I5	L3-I5 PolarHBondContact O-N 3.01Å
4	E	26.8	Very low	28.7	Very low	185 Å²	185	187.4 Å²	187.4	86%	0.864	89%	0.894	S	S	*	*			trans	-61.6	101.3	173.2	-71.1	-165.1	123.8	0	0	110.9	R6	E4-R6 PolarHBondContact O-N 3.2Å
5	I	31.8	Very low	28.7	Very low	160 Å²	160	187.5 Å²	187.5	82%	0.821	89%	0.893	S	S	*	*			trans	-68.9	101.4	172.6	-60.3	178.7	0	0	0	108.4	L3 K7	L3-I5 PolarHBondContact O-N 3.01Å; I5-K7 PolarHBondContact O-N 3.23Å
6	R	26.5	Very low	28.7	Very low	232 Å²	232	185.5 Å²	185.5	88%	0.875	89%	0.889	S	S	*	*	P	Polyproline II helix	trans	-58.4	118.6	-178.1	-71.4	-178.4	172.2	-178.1	-2.4	111.3	E4	E4-R6 PolarHBondContact O-N 3.2Å
7	K	24.6	Very low	28.6	Very low	193 Å²	193	187.1 Å²	187.1	84%	0.839	90%	0.895	S	S	*	*	P	Polyproline II helix	trans	-63.3	128.8	174.2	-68.1	172.2	179.5	169.4	0	110.2	I5	I5-K7 PolarHBondContact O-N 3.23Å
8	P	30.8	Very low	28.4	Very low	127 Å²	127	179.6 Å²	179.6	83%	0.825	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-67.4	138.8	-179.1	26.4	-33.9	0	0	0	111.8
9	T	28.3	Very low	28.3	Very low	138 Å²	138	178 Å²	178	85%	0.847	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-78.9	122.2	-173.4	35.1	0	0	0	0	112.7	K11	T9-K11 PolarHBondContact O-N 2.8Å
10	K	26.8	Very low	28.3	Very low	211 Å²	211	175.1 Å²	175.1	92%	0.917	86%	0.858	S	S	*	*	S	Bend	trans	-67.5	86.5	172.9	-67.8	-177.6	177.4	-177.8	0	111.8
11	K	28	Very low	28.2	Very low	199 Å²	199	175.6 Å²	175.6	87%	0.865	86%	0.859	S	S	*	*			trans	-163.8	57.1	163	-118.4	170.4	-172.8	-177.3	0	115.8	T9	T9-K11 PolarHBondContact O-N 2.8Å
12	Q	29.6	Very low	28	Very low	202 Å²	202	168.3 Å²	168.3	94%	0.944	83%	0.832	S	S	*	*			trans	-149.9	43	161.9	-117.2	168.8	28	0	0	112.9
13	Q	27.6	Very low	27.9	Very low	187 Å²	187	164.5 Å²	164.5	87%	0.874	82%	0.817	S	S	*	*			trans	-105.5	94.1	166.8	-76.1	-177.9	-27	0	0	109.1
14	Q	28.9	Very low	27.7	Very low	186 Å²	186	164 Å²	164	87%	0.869	81%	0.81	S	S	*	*	S	Bend	trans	158.1	74.8	158.4	-90.8	167.4	24.5	0	0	110.1
15	Q	28.2	Very low	27.8	Very low	189 Å²	189	160.5 Å²	160.5	88%	0.883	80%	0.801	S	S	*	*	S	Bend	trans	173.1	86.9	151.9	-98.6	161	31.7	0	0	109.2
16	N	27.8	Very low	27.6	Very low	156 Å²	156	156 Å²	156	83%	0.834	78%	0.784	S	S	*	*			trans	166.7	68.3	153	-88	-10.1	0	0	0	108.8	G18	N16-G18 PolarHBondContact O-N 3.25Å
17	Q	27.4	Very low	27.8	Very low	212 Å²	212	148.9 Å²	148.9	99%	0.991	77%	0.77	S	S	*	*			trans	-83.5	90.6	162	-78.1	-180	-65.5	0	0	107.9
18	G	26	Very low	28	Very low	52 Å²	52	143.5 Å²	143.5	54%	0.536	76%	0.757	S	S	.	*	S	Bend	trans	-179.5	137.1	177.2	0	0	0	0	0	110.3	N16	N16-G18 PolarHBondContact O-N 3.25Å
19	N	26.1	Very low	28.2	Very low	150 Å²	150	142 Å²	142	80%	0.802	75%	0.745	S	S	*	*			trans	61	51.8	172.8	-55.5	-4.1	0	0	0	116.5
20	I	27.6	Very low	28.5	Very low	119 Å²	119	142.4 Å²	142.4	61%	0.61	74%	0.741	S	S	*	*			trans	-96.4	-20.6	164.8	-69.7	179.5	0	0	0	112.3	S22 L23	I20-S22 PolarHBondContact O-N 2.88Å; I20-L23 PolarHBondContact O-N 3.01Å
21	E	26.7	Very low	29	Very low	187 Å²	187	134.3 Å²	134.3	87%	0.874	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-68.1	-16.2	-175.9	-64.3	-175.3	138	0	0	114.5
22	S	27.8	Very low	29.9	Very low	87 Å²	87	128.3 Å²	128.3	61%	0.608	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-86.8	-5.6	178.8	55.1	0	0	0	0	115.2	I20	I20-S22 PolarHBondContact O-N 2.88Å
23	L	26.5	Very low	31.3	Very low	117 Å²	117	126.5 Å²	126.5	61%	0.613	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-92.8	-4.2	-177.6	-92.2	159.4	0	0	0	114.6	I20 T25	I20-L23 PolarHBondContact O-N 3.01Å; L23-T25 PolarHBondContact O-N 2.81Å
24	H	27.4	Very low	33.5	Very low	156 Å²	156	119.7 Å²	119.7	72%	0.722	65%	0.652	S	S	*	*	S	Bend	trans	-82.4	-6.5	-175.3	-88.6	-77.6	0	0	0	115.6
25	T	29.1	Very low	35.8	Very low	110 Å²	110	112.9 Å²	112.9	68%	0.675	62%	0.624	S	S	*	*	S	Bend	trans	-105.3	-9.4	-175.9	54.4	0	0	0	0	115.4	L23 S28	L23-T25 PolarHBondContact O-N 2.81Å; T25-S28 PolarHBondContact O-OG 2.73Å
26	S	28.7	Very low	38.6	Very low	66 Å²	66	105.1 Å²	105.1	46%	0.462	59%	0.593	S	S	.	*	S	Bend	trans	-88.2	-23.9	-178.3	57.1	0	0	0	0	114.3
27	S	28.8	Very low	41.5	Very low	82 Å²	82	99 Å²	99	57%	0.573	56%	0.561	S	S	*	*	S	Bend	trans	-78.8	-20.5	-175.8	-64.8	0	0	0	0	114.3
28	S	29	Very low	44.6	Very low	81 Å²	81	89.8 Å²	89.8	57%	0.566	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-38.9	179.2	45.2	0	0	0	0	112.6	T25 L30 C31	T25-S28 PolarHBondContact O-OG 2.73Å; S28-L30 PolarHBondContact O-N 2.87Å; S28-C31 PolarHBondContact O-N 2.76Å
29	T	36.4	Very low	47.7	Very low	94 Å²	94	89.4 Å²	89.4	58%	0.577	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-24.4	-172.4	-43.6	0	0	0	0	113.7	S32	T29-S32 PolarHBondContact O-OG 2.84Å; T29-S32 VanDerWaalsContact O-OG 3.06Å
30	L	33.8	Very low	50.6	Low	148 Å²	148	83.8 Å²	83.8	78%	0.775	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-22.7	177.9	-77.7	164.4	0	0	0	113.3	S28	S28-L30 PolarHBondContact O-N 2.87Å
31	C	38.3	Very low	53.4	Low	41 Å²	41	81.7 Å²	81.7	28%	0.277	47%	0.465	S	S	.	.	S	Bend	trans	-89.8	-5	-176.5	-67.2	0	0	0	0	114.6	S28 V85	S28-C31 PolarHBondContact O-N 2.76Å; C31-V85 HydrophobicContact CB-CG1 3.96Å
32	S	46.9	Very low	56	Low	72 Å²	72	77 Å²	77	50%	0.503	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-30.6	-176.7	54.9	0	0	0	0	113.8	T29 I34	T29-S32 PolarHBondContact O-OG 2.84Å; T29-S32 VanDerWaalsContact O-OG 3.06Å; S32-I34 PolarHBondContact O-N 2.85Å
33	F	59.2	Low	58.7	Low	164 Å²	164	76.2 Å²	76.2	72%	0.719	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	19.1	-172.3	-72.8	-77.6	0	0	0	115.2	P35	F33-P35 WeakPolarHBondContact O-CD 3.34Å
34	I	71.9	Confident	61.7	Low	45 Å²	45	70.7 Å²	70.7	23%	0.231	42%	0.416	C	S	.	.			trans	-80.2	120.1	179.5	-49	174.6	0	0	0	109.5	S32 W51 L88	S32-I34 PolarHBondContact O-N 2.85Å; I34-W51 HydrophobicContact CG2-CB 3.73Å; I34-W51 HydrophobicContact CG2-CG 3.85Å; I34-L88 HydrophobicContact CD1-CD1 3.74Å
35	P	79.1	Confident	64.7	Low	43 Å²	43	68.6 Å²	68.6	28%	0.279	41%	0.409	S	S	.	.			trans	-78.2	151.4	-168.7	29.9	-35	0	0	0	114.2	F33 E48 L50 W51	F33-P35 WeakPolarHBondContact O-CD 3.34Å; P35-E48 WeakPolarHBondContact CG-OE1 3.34Å; P35-L50 CarbonylContact O-C 3.57Å; P35-L50 WeakPolarHBondContact O-CA 3.27Å; P35-W51 PolarHBondContact O-N 2.78Å
36	A	86.2	Confident	67.7	Low	26 Å²	26	67 Å²	67	22%	0.215	40%	0.396	C	S	.	.	S	Bend	trans	-113.5	2	172.6	0	0	0	0	0	113.4	Q332	A36-Q332 PolarHBondContact O-NE2 2.83Å
37	T	89.6	Confident	70.7	Confident	27 Å²	27	64.3 Å²	64.3	17%	0.166	38%	0.379	C	S	.	.	S	Bend	trans	-139.1	145.7	179.1	44.4	0	0	0	0	108.7	L328 D342 K345	T37-L328 HydrophobicContact CG2-CD2 4.14Å; T37-D342 HydrophobicContact CG2-CB 4.48Å; T37-K345 HydrophobicContact CG2-CD 4.39Å; T37-K345 PolarHBondContact OG1-NZ 3.23Å
38	P	92.3	Very high	73.8	Confident	18 Å²	18	62.9 Å²	62.9	12%	0.117	36%	0.363	C	S	.	.			trans	-57.1	142.3	-175	-23.2	31.8	0	0	0	114	L50 P337 R338	P38-L50 HydrophobicContact CG-CD1 4.06Å; P38-P337 HydrophobicContact CG-CB 4.06Å; P38-P337 WeakPolarHBondContact CG-O 3.45Å; P38-R338 HydrophobicContact CB-CG 4.09Å; P38-R338 HydrophobicContact CG-CG 4.17Å
39	N	89.4	Confident	76.9	Confident	44 Å²	44	60.1 Å²	60.1	24%	0.235	34%	0.341	C	S	.	.			trans	-76.2	132	165.5	-173.1	-4.1	0	0	0	110	T41 A43 A44 R338	N39-T41 PolarHBondContact ND2-OG1 2.88Å; N39-T41 WeakPolarHBondContact OD1-CB 3.43Å; N39-T41 PolarHBondContact OD1-N 3.37Å; N39-T41 PolarHBondContact OD1-OG1 3.44Å; N39-A43 PolarHBondContact ND2-O 3.44Å; N39-A44 HydrophobicContact CB-CB 4Å; N39-A44 PolarHBondContact ND2-N 3.42Å; N39-A44 VanDerWaalsContact O-CB 3.27Å; N39-A44 WeakPolarHBondContact O-CB 3.05Å; N39-R338 VanDerWaalsContact O-CZ 3.28Å; N39-R338 PolarHBondContact O-NH1 3.23Å; N39-R338 PolarHBondContact O-NH2 2.97Å
40	W	89.1	Confident	79.7	Confident	32 Å²	32	55.9 Å²	55.9	12%	0.121	32%	0.315	C	S	.	.			trans	-111.4	3.2	178	-73	108	0	0	0	114	I189 F296 R338 F341 M350 L354 F355	W40-I189 HydrophobicContact CZ3-CG2 4.26Å; W40-F296 HydrophobicContact CE3-CB 3.99Å; W40-F296 AromaticContact CE3-CD1 4Å; W40-F296 HydrophobicContact CE3-CD1 4Å; W40-F296 AromaticContact CE3-CD2 3.81Å; W40-F296 HydrophobicContact CE3-CD2 3.81Å; W40-F296 HydrophobicContact CE3-CE1 4.42Å; W40-F296 HydrophobicContact CE3-CE2 4.29Å; W40-F296 AromaticContact CE3-CG 3.66Å; W40-F296 HydrophobicContact CE3-CG 3.66Å; W40-F296 HydrophobicContact CZ3-CB 3.99Å; W40-F296 AromaticContact CZ3-CD1 3.92Å; W40-F296 HydrophobicContact CZ3-CD1 3.92Å; W40-F296 HydrophobicContact CZ3-CD2 4.49Å; W40-F296 AromaticContact CZ3-CG 3.89Å; W40-F296 HydrophobicContact CZ3-CG 3.89Å; W40-F296 WeakPolarHBondContact O-CD2 3.49Å; W40-F296 VanDerWaalsContact O-CE2 3.29Å; W40-F296 WeakPolarHBondContact O-CE2 3.27Å; W40-R338 HydrophobicContact CH2-CB 3.62Å; W40-R338 HydrophobicContact CH2-CG 3.84Å; W40-R338 HydrophobicContact CZ2-CB 3.62Å; W40-R338 HydrophobicContact CZ2-CG 3.8Å; W40-R338 WeakPolarHBondContact CZ2-O 3.38Å; W40-R338 HydrophobicContact CZ3-CG 4.43Å; W40-F341 AromaticContact CE2-CZ 3.84Å; W40-F341 HydrophobicContact CH2-CZ 4.3Å; W40-F341 HydrophobicContact CZ2-CE1 4.14Å; W40-F341 HydrophobicContact CZ2-CE2 4.13Å; W40-F341 AromaticContact CZ2-CZ 3.44Å; W40-F341 HydrophobicContact CZ2-CZ 3.44Å; W40-F341 VanDerWaalsContact CZ2-CZ 3.44Å; W40-F341 AromaticContact NE1-CE1 3.72Å; W40-F341 AromaticContact NE1-CZ 3.93Å; W40-M350 HydrophobicContact CB-CE 3.43Å; W40-M350 VanDerWaalsContact CB-CE 3.43Å; W40-M350 HydrophobicContact CB-SD 4.33Å; W40-M350 HydrophobicContact CD2-CE 4.46Å; W40-M350 HydrophobicContact CG-CE 3.9Å; W40-M350 HydrophobicContact CG-SD 4.43Å; W40-L354 HydrophobicContact CD2-CD1 4.17Å; W40-L354 HydrophobicContact CE3-CD1 3.8Å; W40-L354 HydrophobicContact CH2-CD1 3.94Å; W40-L354 HydrophobicContact CZ2-CD1 4.32Å; W40-L354 HydrophobicContact CZ3-CD1 3.69Å; W40-F355 HydrophobicContact CH2-CE2 4.12Å; W40-F355 HydrophobicContact CZ2-CE2 4.49Å
41	T	84.9	Confident	82.7	Confident	75 Å²	75	49.8 Å²	49.8	46%	0.46	28%	0.281	S	S	.	.	S	Bend	trans	-83.9	170.4	175.3	67.3	0	0	0	0	111.7	N39 A43 A44	N39-T41 PolarHBondContact ND2-OG1 2.88Å; N39-T41 WeakPolarHBondContact OD1-CB 3.43Å; N39-T41 PolarHBondContact OD1-N 3.37Å; N39-T41 PolarHBondContact OD1-OG1 3.44Å; T41-A43 PolarHBondContact O-N 2.89Å; T41-A43 PolarHBondContact OG1-N 2.89Å; T41-A44 VanDerWaalsContact O-CB 3.26Å; T41-A44 WeakPolarHBondContact O-CB 3.15Å; T41-A44 PolarHBondContact O-N 3.13Å
42	N	81.3	Confident	85.2	Confident	90 Å²	90	48.5 Å²	48.5	48%	0.481	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-21.3	167.6	-80.2	-40.3	0	0	0	114.6	A44 K191 S295	N42-A44 VanDerWaalsContact C-N 3.29Å; N42-A44 PolarHBondContact O-N 3.28Å; N42-K191 WeakPolarHBondContact O-CE 3.37Å; N42-K191 PolarHBondContact O-NZ 2.91Å; N42-S295 PolarHBondContact N-OG 3.44Å; N42-S295 WeakPolarHBondContact OD1-CB 3.27Å; N42-S295 PolarHBondContact OD1-OG 3.47Å
43	A	84.9	Confident	87.4	Confident	70 Å²	70	52 Å²	52	58%	0.579	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.1	175.9	0	0	0	0	0	114.4	N39 T41	N39-A43 PolarHBondContact ND2-O 3.44Å; T41-A43 PolarHBondContact O-N 2.89Å; T41-A43 PolarHBondContact OG1-N 2.89Å
44	A	90.1	Very high	88.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	26%	0.256	C	S	.	.			trans	-67.1	140.9	175.3	0	0	0	0	0	112.2	N39 T41 N42 F99 K191 F296	N39-A44 HydrophobicContact CB-CB 4Å; N39-A44 PolarHBondContact ND2-N 3.42Å; N39-A44 VanDerWaalsContact O-CB 3.27Å; N39-A44 WeakPolarHBondContact O-CB 3.05Å; T41-A44 VanDerWaalsContact O-CB 3.26Å; T41-A44 WeakPolarHBondContact O-CB 3.15Å; T41-A44 PolarHBondContact O-N 3.13Å; N42-A44 VanDerWaalsContact C-N 3.29Å; N42-A44 PolarHBondContact O-N 3.28Å; A44-F99 HydrophobicContact CB-CE1 4.44Å; A44-F99 HydrophobicContact CB-CZ 4.21Å; A44-K191 PolarHBondContact O-NZ 3.3Å; A44-F296 HydrophobicContact CB-CE2 4.1Å; A44-F296 HydrophobicContact CB-CZ 3.79Å
45	I	90.1	Very high	89.7	Confident	111 Å²	111	49.8 Å²	49.8	57%	0.569	28%	0.282	S	S	*	.			trans	-118.9	137.2	-173.9	-54.7	177.9	0	0	0	110.4	G47 E48 F99	I45-G47 PolarHBondContact O-N 3.02Å; I45-E48 WeakPolarHBondContact O-CB 3.44Å; I45-E48 PolarHBondContact O-N 3.3Å; I45-F99 VanDerWaalsContact C-CZ 3.48Å; I45-F99 WeakPolarHBondContact O-CE1 3.37Å
46	I	91.7	Very high	89.9	Confident	77 Å²	77	48.7 Å²	48.7	40%	0.395	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	128.4	176	-60.7	177.9	0	0	0	109.1	P97 F99 E101	I46-P97 HydrophobicContact CG2-CB 3.91Å; I46-F99 HydrophobicContact CB-CZ 4.38Å; I46-F99 HydrophobicContact CD1-CE2 4.35Å; I46-F99 HydrophobicContact CG1-CD2 4.15Å; I46-F99 HydrophobicContact CG1-CE1 4.17Å; I46-F99 HydrophobicContact CG1-CE2 3.54Å; I46-F99 HydrophobicContact CG1-CZ 3.58Å; I46-E101 HydrophobicContact CD1-CB 4.39Å; I46-E101 HydrophobicContact CD1-CG 4.11Å
47	G	92.8	Very high	89.9	Confident	10 Å²	10	55.2 Å²	55.2	10%	0.103	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	24.7	-178.8	0	0	0	0	0	114.6	I45 C95	I45-G47 PolarHBondContact O-N 3.02Å; G47-C95 VanDerWaalsContact CA-O 3.25Å; G47-C95 WeakPolarHBondContact CA-O 3.47Å; G47-C95 WeakPolarHBondContact O-CA 3.36Å; G47-C95 WeakPolarHBondContact O-CB 3.19Å; G47-C95 PolarHBondContact O-N 2.77Å
48	E	92.8	Very high	89.7	Confident	52 Å²	52	57.5 Å²	57.5	24%	0.243	32%	0.316	C	S	.	.			trans	-61	134.9	168.3	-178	172	-141	0	0	112.1	P35 I45 C95	P35-E48 WeakPolarHBondContact CG-OE1 3.34Å; I45-E48 WeakPolarHBondContact O-CB 3.44Å; I45-E48 PolarHBondContact O-N 3.3Å; E48-C95 WeakPolarHBondContact O-CB 3.46Å
49	H	95.4	Very high	89.5	Confident	23 Å²	23	60.6 Å²	60.6	11%	0.106	34%	0.335	C	S	.	.			trans	-92.1	127.9	177.1	-73.4	-84.7	0	0	0	111.3	W51 C76 C79 V93 C95	H49-W51 HydrophobicContact CB-CD2 4.33Å; H49-W51 HydrophobicContact CB-CG 4.42Å; H49-W51 HydrophobicContact CB-CZ2 3.94Å; H49-W51 AromaticContact CG-CZ2 3.89Å; H49-W51 AromaticContact CG-NE1 3.98Å; H49-W51 VanDerWaalsContact O-CD1 3.27Å; H49-W51 PolarHBondContact O-N 3.13Å; H49-C76 HydrophobicContact CB-CB 4.37Å; H49-C79 PolarHBondContact ND1-SG 2.98Å; H49-C79 VanDerWaalsContact ND1-SG 3.44Å; H49-V93 PolarHBondContact NE2-O 2.89Å; H49-C95 HydrophobicContact CB-CB 4.3Å; H49-C95 WeakPolarHBondContact ND1-CB 3.42Å; H49-C95 PolarHBondContact ND1-SG 3.23Å; H49-C95 VanDerWaalsContact ND1-SG 3.44Å; H49-C95 PolarHBondContact NE2-N 2.91Å
50	L	95	Very high	89.6	Confident	5 Å²	5	59 Å²	59	3%	0.026	33%	0.326	C	S	.	.			trans	-89.2	88.9	176.9	-55.6	-174.2	0	0	0	111.2	P35 P38 N52 C76 S77 V78 P337	P35-L50 CarbonylContact O-C 3.57Å; P35-L50 WeakPolarHBondContact O-CA 3.27Å; P38-L50 HydrophobicContact CG-CD1 4.06Å; L50-N52 PolarHBondContact O-ND2 2.9Å; L50-C76 PolarHBondContact N-SG 2.78Å; L50-C76 VanDerWaalsContact N-SG 3.39Å; L50-C76 VanDerWaalsContact O-CA 3.31Å; L50-C76 WeakPolarHBondContact O-CA 3.46Å; L50-S77 WeakPolarHBondContact CB-OG 3.31Å; L50-S77 PolarHBondContact O-N 3.29Å; L50-S77 PolarHBondContact O-OG 2.93Å; L50-V78 HydrophobicContact CB-CG2 4.03Å; L50-V78 HydrophobicContact CD1-CG2 3.72Å; L50-V78 HydrophobicContact CG-CG2 3.79Å; L50-P337 HydrophobicContact CD1-CB 3.84Å
51	W	94.9	Very high	89.8	Confident	20 Å²	20	58.9 Å²	58.9	8%	0.076	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.7	-171.6	-66	101	0	0	0	113.1	I34 P35 H49 R74 C76 I81 C83 L88 V91	I34-W51 HydrophobicContact CG2-CB 3.73Å; I34-W51 HydrophobicContact CG2-CG 3.85Å; P35-W51 PolarHBondContact O-N 2.78Å; H49-W51 HydrophobicContact CB-CD2 4.33Å; H49-W51 HydrophobicContact CB-CG 4.42Å; H49-W51 HydrophobicContact CB-CZ2 3.94Å; H49-W51 AromaticContact CG-CZ2 3.89Å; H49-W51 AromaticContact CG-NE1 3.98Å; H49-W51 VanDerWaalsContact O-CD1 3.27Å; H49-W51 PolarHBondContact O-N 3.13Å; W51-R74 HydrophobicContact CB-CB 4.3Å; W51-R74 HydrophobicContact CE3-CB 3.85Å; W51-C76 HydrophobicContact CD2-CB 4.24Å; W51-C76 HydrophobicContact CE3-CB 3.94Å; W51-C76 HydrophobicContact CH2-CB 4.29Å; W51-C76 HydrophobicContact CZ3-CB 3.98Å; W51-I81 HydrophobicContact CH2-CB 4.3Å; W51-I81 HydrophobicContact CH2-CG2 3.74Å; W51-I81 HydrophobicContact CZ3-CG2 4.29Å; W51-I81 WeakPolarHBondContact CZ3-O 3.48Å; W51-C83 HydrophobicContact CH2-CB 4.05Å; W51-C83 HydrophobicContact CZ3-CB 4.07Å; W51-L88 HydrophobicContact CD2-CD2 3.65Å; W51-L88 HydrophobicContact CE3-CD2 3.74Å; W51-L88 HydrophobicContact CG-CD2 4.43Å; W51-L88 HydrophobicContact CH2-CD2 3.61Å; W51-L88 HydrophobicContact CZ2-CD2 3.51Å; W51-L88 HydrophobicContact CZ3-CD2 3.72Å; W51-V91 HydrophobicContact CH2-CG2 4.44Å; W51-V91 HydrophobicContact CZ2-CG1 4.4Å; W51-V91 HydrophobicContact CZ2-CG2 4.43Å
52	N	92.6	Very high	90.1	Very high	13 Å²	13	56 Å²	56	7%	0.07	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	150.8	175.1	-72.6	-102.7	0	0	0	110.2	L50 R74 K75 K329	L50-N52 PolarHBondContact O-ND2 2.9Å; N52-R74 CarbonylContact O-C 3.52Å; N52-R74 WeakPolarHBondContact O-CA 3.41Å; N52-R74 VanDerWaalsContact O-CB 3.24Å; N52-R74 WeakPolarHBondContact O-CB 3.5Å; N52-K75 PolarHBondContact N-O 3.41Å; N52-K75 PolarHBondContact O-N 2.81Å; N52-K329 HydrophobicContact CB-CD 4.39Å; N52-K329 WeakPolarHBondContact OD1-CE 3.26Å
53	E	91.8	Very high	90.3	Very high	146 Å²	146	55.2 Å²	55.2	68%	0.682	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	145.8	172.4	-56.7	-163.7	151.3	0	0	111.3	R74	E53-R74 IonicContact OE1-CZ 3.65Å; E53-R74 IonicContact OE1-NH2 3.96Å; E53-R74 PolarHBondContact OE1-NH2 3.39Å; E53-R74 VanDerWaalsContact OE1-NH2 3.07Å
54	T	91.2	Very high	90.2	Very high	36 Å²	36	56.2 Å²	56.2	22%	0.221	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142.4	-177.8	-170.3	0	0	0	0	112.7	S56 K73 K75 V82	T54-S56 WeakPolarHBondContact CG2-OG 3.42Å; T54-S56 VanDerWaalsContact OG1-CB 3.26Å; T54-S56 WeakPolarHBondContact OG1-CB 3.43Å; T54-S56 PolarHBondContact OG1-N 2.83Å; T54-S56 PolarHBondContact OG1-OG 2.73Å; T54-K73 HydrophobicContact CG2-CB 3.64Å; T54-K73 PolarHBondContact N-O 2.81Å; T54-K75 HydrophobicContact CG2-CB 3.97Å; T54-V82 HydrophobicContact CG2-CG1 4.27Å
55	T	88.3	Confident	90.1	Very high	126 Å²	126	61.4 Å²	61.4	77%	0.773	33%	0.332	S	S	*	.			trans	-91.2	3.4	166.9	49.7	0	0	0	0	112.5	N57	T55-N57 PolarHBondContact O-N 3.21Å
56	S	84.2	Confident	90	Very high	20 Å²	20	62.3 Å²	62.3	14%	0.14	34%	0.335	C	S	.	.			trans	-58.2	136.3	-168	62	0	0	0	0	114.2	T54 E58 K73	T54-S56 WeakPolarHBondContact CG2-OG 3.42Å; T54-S56 VanDerWaalsContact OG1-CB 3.26Å; T54-S56 WeakPolarHBondContact OG1-CB 3.43Å; T54-S56 PolarHBondContact OG1-N 2.83Å; T54-S56 PolarHBondContact OG1-OG 2.73Å; S56-E58 PolarHBondContact O-N 2.93Å; S56-E58 PolarHBondContact OG-OE1 3Å; S56-K73 WeakPolarHBondContact O-CD 3.21Å; S56-K73 PolarHBondContact O-NZ 2.8Å
57	N	85.3	Confident	90	Very high	164 Å²	164	59.4 Å²	59.4	88%	0.877	32%	0.321	S	S	*	.			trans	-70.3	-6.3	176.4	-71.8	-34.2	0	0	0	113.4	T55	T55-N57 PolarHBondContact O-N 3.21Å
58	E	86.5	Confident	89.7	Confident	75 Å²	75	61.8 Å²	61.8	35%	0.35	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-51.3	139.4	174.2	-67.9	173.8	-102.2	0	0	112.5	S56 K73 K75 V82	S56-E58 PolarHBondContact O-N 2.93Å; S56-E58 PolarHBondContact OG-OE1 3Å; E58-K73 PolarHBondContact O-NZ 3.37Å; E58-K75 IonicContact OE1-NZ 3.89Å; E58-K75 PolarHBondContact OE1-NZ 2.8Å; E58-K75 IonicContact OE2-NZ 2.76Å; E58-V82 HydrophobicContact CB-CB 4.11Å; E58-V82 HydrophobicContact CB-CG1 4.23Å; E58-V82 HydrophobicContact CB-CG2 3.97Å; E58-V82 HydrophobicContact CG-CG2 4.39Å; E58-V82 WeakPolarHBondContact OE2-CG2 3.17Å
59	T	87.9	Confident	89.2	Confident	83 Å²	83	64.8 Å²	64.8	51%	0.509	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-64.1	143.8	173.4	56.2	0	0	0	0	110.7	Y61 R122	T59-Y61 PolarHBondContact O-N 2.94Å; T59-R122 PolarHBondContact OG1-NH1 2.91Å
60	C	91.7	Very high	88.6	Confident	9 Å²	9	66.6 Å²	66.6	6%	0.061	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-53.9	139.2	167.1	179.4	0	0	0	0	110.8	C67 V82 C83 H84 R122	C60-C67 VanDerWaalsContact SG-SG 3.64Å; C60-V82 CarbonylContact C-O 3.6Å; C60-V82 WeakPolarHBondContact CA-O 3.21Å; C60-C83 VanDerWaalsContact SG-SG 3.62Å; C60-H84 VanDerWaalsContact CB-CE1 3.45Å; C60-H84 WeakPolarHBondContact CB-CE1 3.41Å; C60-H84 WeakPolarHBondContact CB-ND1 3.32Å; C60-R122 PolarHBondContact O-NH1 3.31Å
61	Y	91.9	Very high	88.1	Confident	30 Å²	30	68.9 Å²	68.9	12%	0.118	39%	0.386	C	S	.	.	S	Bend	trans	-61.6	-49.9	179.9	-172	-99.1	0	0	0	111.4	T59 D63 I81 V82 V93 I119 K120 R122 Y146	T59-Y61 PolarHBondContact O-N 2.94Å; Y61-D63 PolarHBondContact O-N 3.45Å; Y61-I81 HydrophobicContact CD1-CG2 4.35Å; Y61-I81 HydrophobicContact CD2-CD1 4.33Å; Y61-I81 HydrophobicContact CD2-CG1 4.07Å; Y61-I81 HydrophobicContact CD2-CG2 4.05Å; Y61-I81 HydrophobicContact CE1-CD1 4.4Å; Y61-I81 HydrophobicContact CE2-CD1 4.12Å; Y61-I81 HydrophobicContact CE2-CG1 4.13Å; Y61-I81 HydrophobicContact CG-CG2 3.79Å; Y61-V82 WeakPolarHBondContact CB-O 3.33Å; Y61-V82 PolarHBondContact N-O 3.21Å; Y61-V93 HydrophobicContact CE1-CG1 4.44Å; Y61-V93 HydrophobicContact CE1-CG2 3.68Å; Y61-I119 HydrophobicContact CE2-CG2 4.35Å; Y61-K120 WeakPolarHBondContact CE2-O 3.37Å; Y61-R122 PolarHBondContact O-NH1 3.32Å; Y61-R122 PolarHBondContact O-NH2 3.17Å; Y61-Y146 HydrophobicContact CD2-CE1 4.06Å; Y61-Y146 AromaticContact CE2-CE1 3.8Å; Y61-Y146 HydrophobicContact CE2-CE1 3.8Å; Y61-Y146 PolarHBondContact O-OH 2.95Å
62	I	91.2	Very high	88	Confident	15 Å²	15	71.3 Å²	71.3	8%	0.077	41%	0.41	C	S	.	.	S	Bend	trans	-51.9	132.9	176.2	-53.1	-54.3	0	0	0	110.9	E66 C67 C87 L90 V91	I62-E66 HydrophobicContact CG2-CB 3.89Å; I62-C67 HydrophobicContact CB-CB 4.41Å; I62-C67 HydrophobicContact CG2-CB 4.32Å; I62-C87 HydrophobicContact CG1-CB 3.98Å; I62-L90 HydrophobicContact CD1-CB 3.78Å; I62-L90 VanDerWaalsContact CD1-O 3.3Å; I62-L90 WeakPolarHBondContact CD1-O 3.33Å; I62-L90 HydrophobicContact CG1-CB 4.02Å; I62-L90 HydrophobicContact CG2-CB 4.34Å; I62-L90 HydrophobicContact CG2-CD1 4.07Å; I62-V91 HydrophobicContact CD1-CG2 3.93Å; I62-V91 HydrophobicContact CG1-CG2 4.42Å
63	D	87.1	Confident	88	Confident	74 Å²	74	73 Å²	73	40%	0.396	42%	0.417	S	S	.	.			trans	-65.2	152.8	-174.9	-72.8	-46.5	0	0	0	112.8	Y61 S65 E66 C67 R122	Y61-D63 PolarHBondContact O-N 3.45Å; D63-S65 PolarHBondContact O-N 2.88Å; D63-E66 PolarHBondContact O-N 2.85Å; D63-C67 WeakPolarHBondContact O-CB 3.41Å; D63-C67 PolarHBondContact O-N 3.45Å; D63-R122 IonicContact OD1-CZ 2.9Å; D63-R122 IonicContact OD1-NH2 2.68Å; D63-R122 PolarHBondContact OD1-NH2 3.08Å
64	E	82.6	Confident	88.1	Confident	90 Å²	90	67.6 Å²	67.6	42%	0.421	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12	-166.2	-90.5	-157.4	-132.4	0	0	116.3	K69 K144	E64-K69 WeakPolarHBondContact O-CE 3.42Å; E64-K69 PolarHBondContact O-NZ 2.97Å; E64-K69 IonicContact OE2-NZ 3.09Å; E64-K69 PolarHBondContact OE2-NZ 2.99Å; E64-K144 WeakPolarHBondContact OE1-CD 3.32Å; E64-K144 WeakPolarHBondContact OE1-CE 3.46Å; E64-K144 IonicContact OE1-NZ 2.73Å; E64-K144 PolarHBondContact OE1-NZ 3.47Å; E64-K144 IonicContact OE2-NZ 2.87Å; E64-K144 PolarHBondContact OE2-NZ 3.4Å
65	S	87	Confident	88.3	Confident	110 Å²	110	68.2 Å²	68.2	77%	0.769	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.8	175.5	45	0	0	0	0	113.9	D63	D63-S65 PolarHBondContact O-N 2.88Å
66	E	88.2	Confident	88.7	Confident	131 Å²	131	62.2 Å²	62.2	61%	0.612	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-23.7	-177.1	-60.5	-175.6	172.1	0	0	112	I62 D63 T68 L90	I62-E66 HydrophobicContact CG2-CB 3.89Å; D63-E66 PolarHBondContact O-N 2.85Å; E66-T68 PolarHBondContact O-N 2.86Å; E66-L90 HydrophobicContact CB-CD1 4.44Å
67	C	91	Very high	89.2	Confident	16 Å²	16	61.5 Å²	61.5	11%	0.108	35%	0.348	C	S	.	.			trans	-59.4	125.6	175.3	-176	0	0	0	0	112	C60 I62 D63 K69 H84	C60-C67 VanDerWaalsContact SG-SG 3.64Å; I62-C67 HydrophobicContact CB-CB 4.41Å; I62-C67 HydrophobicContact CG2-CB 4.32Å; D63-C67 WeakPolarHBondContact O-CB 3.41Å; D63-C67 PolarHBondContact O-N 3.45Å; C67-K69 HydrophobicContact CB-CG 4.35Å; C67-K69 PolarHBondContact O-N 2.96Å; C67-K69 VanDerWaalsContact O-N 3.11Å; C67-H84 VanDerWaalsContact SG-CE1 3.51Å; C67-H84 PolarHBondContact SG-ND1 2.7Å
68	T	86.8	Confident	89.7	Confident	59 Å²	59	53.8 Å²	53.8	36%	0.362	31%	0.307	S	S	.	.			trans	-64.5	-13.4	177.1	64.5	0	0	0	0	114.3	E66 S70 N86 C87	E66-T68 PolarHBondContact O-N 2.86Å; T68-S70 WeakPolarHBondContact O-CB 3.49Å; T68-S70 PolarHBondContact O-N 3.19Å; T68-S70 PolarHBondContact O-OG 2.82Å; T68-S70 PolarHBondContact OG1-O 3.36Å; T68-N86 HydrophobicContact CG2-CB 4.03Å; T68-C87 PolarHBondContact N-SG 3.17Å; T68-C87 PolarHBondContact OG1-SG 2.98Å
69	K	82.5	Confident	90.1	Very high	116 Å²	116	50.2 Å²	50.2	50%	0.504	29%	0.29	S	S	.	.			trans	49.4	27.4	-179.4	-66	175.4	-174.7	173.8	0	114.3	E64 C67	E64-K69 WeakPolarHBondContact O-CE 3.42Å; E64-K69 PolarHBondContact O-NZ 2.97Å; E64-K69 IonicContact OE2-NZ 3.09Å; E64-K69 PolarHBondContact OE2-NZ 2.99Å; C67-K69 HydrophobicContact CB-CG 4.35Å; C67-K69 PolarHBondContact O-N 2.96Å; C67-K69 VanDerWaalsContact O-N 3.11Å
70	S	82.5	Confident	90.4	Very high	60 Å²	60	48.3 Å²	48.3	42%	0.42	28%	0.275	S	S	.	.			trans	-154.3	150.7	-170.6	52.3	0	0	0	0	111.8	T68	T68-S70 WeakPolarHBondContact O-CB 3.49Å; T68-S70 PolarHBondContact O-N 3.19Å; T68-S70 PolarHBondContact O-OG 2.82Å; T68-S70 PolarHBondContact OG1-O 3.36Å
71	G	85.8	Confident	90.6	Very high	54 Å²	54	48 Å²	48	56%	0.557	27%	0.273	S	S	*	.	S	Bend	trans	94	171.2	-177.3	0	0	0	0	0	114.1
72	A	91.2	Very high	90.7	Very high	71 Å²	71	46.9 Å²	46.9	59%	0.587	27%	0.269	S	S	*	.			trans	-62.8	159.2	175.2	0	0	0	0	0	111.9	H84 V85	A72-H84 CarbonylContact O-C 3.5Å; A72-H84 WeakPolarHBondContact O-CA 3.13Å; A72-V85 HydrophobicContact CB-CG2 4.37Å; A72-V85 PolarHBondContact O-N 3.46Å
73	K	93.2	Very high	90.8	Very high	48 Å²	48	46.1 Å²	46.1	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	152.4	176.4	-63	-179.4	-167.4	174.4	0	111.8	T54 S56 E58 V82 C83	T54-K73 HydrophobicContact CG2-CB 3.64Å; T54-K73 PolarHBondContact N-O 2.81Å; S56-K73 WeakPolarHBondContact O-CD 3.21Å; S56-K73 PolarHBondContact O-NZ 2.8Å; E58-K73 PolarHBondContact O-NZ 3.37Å; K73-V82 HydrophobicContact CB-CG1 4.28Å; K73-V82 HydrophobicContact CD-CG1 3.92Å; K73-C83 CarbonylContact C-O 3.55Å; K73-C83 VanDerWaalsContact CA-O 3.27Å; K73-C83 WeakPolarHBondContact CA-O 3.45Å
74	R	94.6	Very high	91.1	Very high	32 Å²	32	43.7 Å²	43.7	12%	0.121	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.4	164.4	-66.1	-164.4	171.6	-162.5	-3.6	110.8	W51 N52 E53 V82 C83 V85	W51-R74 HydrophobicContact CB-CB 4.3Å; W51-R74 HydrophobicContact CE3-CB 3.85Å; N52-R74 CarbonylContact O-C 3.52Å; N52-R74 WeakPolarHBondContact O-CA 3.41Å; N52-R74 VanDerWaalsContact O-CB 3.24Å; N52-R74 WeakPolarHBondContact O-CB 3.5Å; E53-R74 IonicContact OE1-CZ 3.65Å; E53-R74 IonicContact OE1-NH2 3.96Å; E53-R74 PolarHBondContact OE1-NH2 3.39Å; E53-R74 VanDerWaalsContact OE1-NH2 3.07Å; R74-V82 CarbonylContact O-C 3.55Å; R74-V82 WeakPolarHBondContact O-CA 3.39Å; R74-C83 PolarHBondContact N-O 2.8Å; R74-C83 PolarHBondContact O-N 3Å; R74-V85 HydrophobicContact CG-CG2 4.11Å
75	K	95.2	Very high	91.6	Very high	50 Å²	50	40.6 Å²	40.6	22%	0.217	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.7	172.3	-171	162.5	-175.6	166.3	0	108.8	N52 T54 E58 I81 V82	N52-K75 PolarHBondContact N-O 3.41Å; N52-K75 PolarHBondContact O-N 2.81Å; T54-K75 HydrophobicContact CG2-CB 3.97Å; E58-K75 IonicContact OE1-NZ 3.89Å; E58-K75 PolarHBondContact OE1-NZ 2.8Å; E58-K75 IonicContact OE2-NZ 2.76Å; K75-I81 CarbonylContact C-O 3.6Å; K75-I81 WeakPolarHBondContact CA-O 3.38Å; K75-V82 HydrophobicContact CB-CG2 3.92Å; K75-V82 HydrophobicContact CD-CG2 3.74Å; K75-V82 HydrophobicContact CG-CG2 3.68Å
76	C	96.3	Very high	91.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125.8	170.4	177.8	0	0	0	0	109.2	H49 L50 W51 V78 C79 H80 I81	H49-C76 HydrophobicContact CB-CB 4.37Å; L50-C76 PolarHBondContact N-SG 2.78Å; L50-C76 VanDerWaalsContact N-SG 3.39Å; L50-C76 VanDerWaalsContact O-CA 3.31Å; L50-C76 WeakPolarHBondContact O-CA 3.46Å; W51-C76 HydrophobicContact CD2-CB 4.24Å; W51-C76 HydrophobicContact CE3-CB 3.94Å; W51-C76 HydrophobicContact CH2-CB 4.29Å; W51-C76 HydrophobicContact CZ3-CB 3.98Å; C76-V78 VanDerWaalsContact C-N 3.28Å; C76-V78 PolarHBondContact O-N 3.48Å; C76-C79 WeakPolarHBondContact CB-SG 3.47Å; C76-C79 PolarHBondContact SG-SG 3.11Å; C76-H80 VanDerWaalsContact O-CA 3.22Å; C76-H80 WeakPolarHBondContact O-CA 3.5Å; C76-H80 PolarHBondContact O-N 2.77Å; C76-I81 PolarHBondContact N-O 3.46Å
77	S	95.2	Very high	92.1	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.028	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.6	-178	49.2	0	0	0	0	113.4	L50 H80 Q332 W333	L50-S77 WeakPolarHBondContact CB-OG 3.31Å; L50-S77 PolarHBondContact O-N 3.29Å; L50-S77 PolarHBondContact O-OG 2.93Å; S77-H80 PolarHBondContact O-CD2 2.72Å; S77-Q332 VanDerWaalsContact CB-OE1 3.29Å; S77-Q332 PolarHBondContact OG-OE1 3.36Å; S77-W333 WeakPolarHBondContact O-CA 3.48Å; S77-W333 WeakPolarHBondContact O-CB 3.36Å
78	V	95.8	Very high	92.1	Very high	2 Å²	2	34 Å²	34	1%	0.012	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-36.1	-173.1	-170.8	0	0	0	0	112.9	L50 C76 R96 P337	L50-V78 HydrophobicContact CB-CG2 4.03Å; L50-V78 HydrophobicContact CD1-CG2 3.72Å; L50-V78 HydrophobicContact CG-CG2 3.79Å; C76-V78 VanDerWaalsContact C-N 3.28Å; C76-V78 PolarHBondContact O-N 3.48Å; V78-R96 HydrophobicContact CG1-CB 3.83Å; V78-P337 HydrophobicContact CB-CG 4.07Å; V78-P337 HydrophobicContact CG1-CG 3.52Å; V78-P337 HydrophobicContact CG2-CB 4.09Å; V78-P337 HydrophobicContact CG2-CG 3.42Å; V78-P337 VanDerWaalsContact CG2-CG 3.42Å
79	C	95.4	Very high	92.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-9.8	-176.1	66.9	0	0	0	0	114	H49 C76 I81 I119 R121 T152	H49-C79 PolarHBondContact ND1-SG 2.98Å; H49-C79 VanDerWaalsContact ND1-SG 3.44Å; C76-C79 WeakPolarHBondContact CB-SG 3.47Å; C76-C79 PolarHBondContact SG-SG 3.11Å; C79-I81 HydrophobicContact CB-CG1 4.43Å; C79-I81 PolarHBondContact O-N 3.3Å; C79-I81 VanDerWaalsContact SG-CG1 3.55Å; C79-I119 HydrophobicContact CB-CG1 4.3Å; C79-R121 PolarHBondContact O-NH2 2.87Å; C79-T152 HydrophobicContact CB-CG2 4.17Å
80	H	94.2	Very high	92.7	Very high	44 Å²	44	34.5 Å²	34.5	20%	0.204	21%	0.21	C	C	.	.			trans	55.9	32.2	-173.9	-71.4	-179.2	0	0	0	113.9	C76 S77 W333	C76-H80 VanDerWaalsContact O-CA 3.22Å; C76-H80 WeakPolarHBondContact O-CA 3.5Å; C76-H80 PolarHBondContact O-N 2.77Å; S77-H80 PolarHBondContact O-CD2 2.72Å; H80-W333 HydrophobicContact CB-CE3 4.47Å; H80-W333 HydrophobicContact CB-CZ3 4.32Å; H80-W333 AromaticContact CD2-CE3 4Å; H80-W333 AromaticContact CE1-CD1 3.71Å; H80-W333 AromaticContact CE1-CD2 3.45Å; H80-W333 VanDerWaalsContact CE1-CD2 3.45Å; H80-W333 AromaticContact CE1-CE2 3.82Å; H80-W333 AromaticContact CE1-CE3 3.98Å; H80-W333 AromaticContact CE1-CG 3.41Å; H80-W333 VanDerWaalsContact CE1-CG 3.41Å; H80-W333 AromaticContact CE1-NE1 3.91Å; H80-W333 AromaticContact CG-CE3 3.83Å; H80-W333 AromaticContact ND1-CD2 3.61Å; H80-W333 AromaticContact ND1-CE2 3.76Å; H80-W333 AromaticContact ND1-CE3 3.81Å; H80-W333 AromaticContact NE2-CD2 3.87Å; H80-W333 AromaticContact NE2-CG 3.69Å
81	I	94.7	Very high	93.2	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	20%	0.196	C	C	.	.			trans	-74.7	133.5	164.4	-70.3	179.8	0	0	0	108.8	W51 Y61 K75 C76 C79 V93 I119	W51-I81 HydrophobicContact CH2-CB 4.3Å; W51-I81 HydrophobicContact CH2-CG2 3.74Å; W51-I81 HydrophobicContact CZ3-CG2 4.29Å; W51-I81 WeakPolarHBondContact CZ3-O 3.48Å; Y61-I81 HydrophobicContact CD1-CG2 4.35Å; Y61-I81 HydrophobicContact CD2-CD1 4.33Å; Y61-I81 HydrophobicContact CD2-CG1 4.07Å; Y61-I81 HydrophobicContact CD2-CG2 4.05Å; Y61-I81 HydrophobicContact CE1-CD1 4.4Å; Y61-I81 HydrophobicContact CE2-CD1 4.12Å; Y61-I81 HydrophobicContact CE2-CG1 4.13Å; Y61-I81 HydrophobicContact CG-CG2 3.79Å; K75-I81 CarbonylContact C-O 3.6Å; K75-I81 WeakPolarHBondContact CA-O 3.38Å; C76-I81 PolarHBondContact N-O 3.46Å; C79-I81 HydrophobicContact CB-CG1 4.43Å; C79-I81 PolarHBondContact O-N 3.3Å; C79-I81 VanDerWaalsContact SG-CG1 3.55Å; I81-V93 HydrophobicContact CD1-CG2 3.62Å; I81-I119 HydrophobicContact CD1-CD1 3.99Å; I81-I119 HydrophobicContact CD1-CG2 4.47Å; I81-I119 HydrophobicContact CG1-CG2 4.17Å
82	V	94	Very high	93.3	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.1	172.1	175.4	0	0	0	0	110.1	T54 E58 C60 Y61 K73 R74 K75	T54-V82 HydrophobicContact CG2-CG1 4.27Å; E58-V82 HydrophobicContact CB-CB 4.11Å; E58-V82 HydrophobicContact CB-CG1 4.23Å; E58-V82 HydrophobicContact CB-CG2 3.97Å; E58-V82 HydrophobicContact CG-CG2 4.39Å; E58-V82 WeakPolarHBondContact OE2-CG2 3.17Å; C60-V82 CarbonylContact C-O 3.6Å; C60-V82 WeakPolarHBondContact CA-O 3.21Å; Y61-V82 WeakPolarHBondContact CB-O 3.33Å; Y61-V82 PolarHBondContact N-O 3.21Å; K73-V82 HydrophobicContact CB-CG1 4.28Å; K73-V82 HydrophobicContact CD-CG1 3.92Å; R74-V82 CarbonylContact O-C 3.55Å; R74-V82 WeakPolarHBondContact O-CA 3.39Å; K75-V82 HydrophobicContact CB-CG2 3.92Å; K75-V82 HydrophobicContact CD-CG2 3.74Å; K75-V82 HydrophobicContact CG-CG2 3.68Å
83	C	93.6	Very high	93.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.9	-177.9	-157	0	0	0	0	111.7	W51 C60 K73 R74 C87 L88 V91	W51-C83 HydrophobicContact CH2-CB 4.05Å; W51-C83 HydrophobicContact CZ3-CB 4.07Å; C60-C83 VanDerWaalsContact SG-SG 3.62Å; K73-C83 CarbonylContact C-O 3.55Å; K73-C83 VanDerWaalsContact CA-O 3.27Å; K73-C83 WeakPolarHBondContact CA-O 3.45Å; R74-C83 PolarHBondContact N-O 2.8Å; R74-C83 PolarHBondContact O-N 3Å; C83-C87 VanDerWaalsContact SG-C 3.58Å; C83-C87 WeakPolarHBondContact SG-CB 3.34Å; C83-L88 HydrophobicContact CB-CD2 3.74Å; C83-V91 HydrophobicContact CB-CG2 4.31Å
84	H	93.7	Very high	93.4	Very high	22 Å²	22	39.7 Å²	39.7	10%	0.102	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	147.2	166.4	-56.2	115.1	0	0	0	109.4	C60 C67 A72 N86 C87 L88	C60-H84 VanDerWaalsContact CB-CE1 3.45Å; C60-H84 WeakPolarHBondContact CB-CE1 3.41Å; C60-H84 WeakPolarHBondContact CB-ND1 3.32Å; C67-H84 VanDerWaalsContact SG-CE1 3.51Å; C67-H84 PolarHBondContact SG-ND1 2.7Å; A72-H84 CarbonylContact O-C 3.5Å; A72-H84 WeakPolarHBondContact O-CA 3.13Å; H84-N86 VanDerWaalsContact C-N 3.28Å; H84-N86 PolarHBondContact O-N 2.93Å; H84-C87 HydrophobicContact CB-CB 4.1Å; H84-C87 CarbonylContact O-C 3.57Å; H84-C87 WeakPolarHBondContact O-CA 3.4Å; H84-C87 WeakPolarHBondContact O-CB 3.47Å; H84-C87 PolarHBondContact O-N 3.28Å; H84-L88 PolarHBondContact O-N 3.49Å
85	V	92.1	Very high	93.4	Very high	25 Å²	25	38.2 Å²	38.2	15%	0.152	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-53	-46.9	178.8	171.8	0	0	0	0	111.4	C31 A72 R74 C87 L88	C31-V85 HydrophobicContact CB-CG1 3.96Å; A72-V85 HydrophobicContact CB-CG2 4.37Å; A72-V85 PolarHBondContact O-N 3.46Å; R74-V85 HydrophobicContact CG-CG2 4.11Å; V85-C87 PolarHBondContact O-N 3.32Å; V85-C87 VanDerWaalsContact O-N 3.15Å; V85-L88 WeakPolarHBondContact O-CB 3.48Å; V85-L88 WeakPolarHBondContact O-CG 3.45Å; V85-L88 PolarHBondContact O-N 2.95Å; V85-L88 VanDerWaalsContact O-N 3.12Å
86	N	91.5	Very high	93.3	Very high	97 Å²	97	35.9 Å²	35.9	52%	0.519	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-68.3	-12.2	178.5	-60.5	1.6	0	0	0	113.9	T68 H84	T68-N86 HydrophobicContact CG2-CB 4.03Å; H84-N86 VanDerWaalsContact C-N 3.28Å; H84-N86 PolarHBondContact O-N 2.93Å
87	C	94	Very high	93.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-99.2	-7.6	176.5	-67.9	0	0	0	0	112.8	I62 T68 C83 H84 V85 L90	I62-C87 HydrophobicContact CG1-CB 3.98Å; T68-C87 PolarHBondContact N-SG 3.17Å; T68-C87 PolarHBondContact OG1-SG 2.98Å; C83-C87 VanDerWaalsContact SG-C 3.58Å; C83-C87 WeakPolarHBondContact SG-CB 3.34Å; H84-C87 HydrophobicContact CB-CB 4.1Å; H84-C87 CarbonylContact O-C 3.57Å; H84-C87 WeakPolarHBondContact O-CA 3.4Å; H84-C87 WeakPolarHBondContact O-CB 3.47Å; H84-C87 PolarHBondContact O-N 3.28Å; V85-C87 PolarHBondContact O-N 3.32Å; V85-C87 VanDerWaalsContact O-N 3.15Å; C87-L90 WeakPolarHBondContact O-CB 3.45Å; C87-L90 PolarHBondContact O-N 3.36Å
88	L	92.3	Very high	93.1	Very high	21 Å²	21	37.9 Å²	37.9	11%	0.11	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-57.7	-40.2	-178.7	-69.7	170.7	0	0	0	113.7	I34 W51 C83 H84 V85 L90 V91	I34-L88 HydrophobicContact CD1-CD1 3.74Å; W51-L88 HydrophobicContact CD2-CD2 3.65Å; W51-L88 HydrophobicContact CE3-CD2 3.74Å; W51-L88 HydrophobicContact CG-CD2 4.43Å; W51-L88 HydrophobicContact CH2-CD2 3.61Å; W51-L88 HydrophobicContact CZ2-CD2 3.51Å; W51-L88 HydrophobicContact CZ3-CD2 3.72Å; C83-L88 HydrophobicContact CB-CD2 3.74Å; H84-L88 PolarHBondContact O-N 3.49Å; V85-L88 WeakPolarHBondContact O-CB 3.48Å; V85-L88 WeakPolarHBondContact O-CG 3.45Å; V85-L88 PolarHBondContact O-N 2.95Å; V85-L88 VanDerWaalsContact O-N 3.12Å; L88-L90 PolarHBondContact O-N 3.42Å; L88-L90 VanDerWaalsContact O-N 3.12Å; L88-V91 WeakPolarHBondContact O-CB 3.44Å; L88-V91 WeakPolarHBondContact O-CG2 3.31Å; L88-V91 PolarHBondContact O-N 2.94Å; L88-V91 VanDerWaalsContact O-N 3.11Å
89	P	90.3	Very high	93	Very high	116 Å²	116	37.9 Å²	37.9	75%	0.753	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-65.3	-11.7	176	-22.9	35.6	0	0	0	115
90	L	91.9	Very high	92.8	Very high	70 Å²	70	39.2 Å²	39.2	37%	0.366	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-92.2	-4.8	177.2	-54	176.3	0	0	0	112.5	I62 E66 C87 L88 Q92	I62-L90 HydrophobicContact CD1-CB 3.78Å; I62-L90 VanDerWaalsContact CD1-O 3.3Å; I62-L90 WeakPolarHBondContact CD1-O 3.33Å; I62-L90 HydrophobicContact CG1-CB 4.02Å; I62-L90 HydrophobicContact CG2-CB 4.34Å; I62-L90 HydrophobicContact CG2-CD1 4.07Å; E66-L90 HydrophobicContact CB-CD1 4.44Å; C87-L90 WeakPolarHBondContact O-CB 3.45Å; C87-L90 PolarHBondContact O-N 3.36Å; L88-L90 PolarHBondContact O-N 3.42Å; L88-L90 VanDerWaalsContact O-N 3.12Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.07Å
91	V	91.5	Very high	92.5	Very high	23 Å²	23	41.2 Å²	41.2	14%	0.139	23%	0.226	C	C	.	.			trans	-77.3	84.3	-178.9	-175.7	0	0	0	0	109.6	W51 I62 C83 L88 V93	W51-V91 HydrophobicContact CH2-CG2 4.44Å; W51-V91 HydrophobicContact CZ2-CG1 4.4Å; W51-V91 HydrophobicContact CZ2-CG2 4.43Å; I62-V91 HydrophobicContact CD1-CG2 3.93Å; I62-V91 HydrophobicContact CG1-CG2 4.42Å; C83-V91 HydrophobicContact CB-CG2 4.31Å; L88-V91 WeakPolarHBondContact O-CB 3.44Å; L88-V91 WeakPolarHBondContact O-CG2 3.31Å; L88-V91 PolarHBondContact O-N 2.94Å; L88-V91 VanDerWaalsContact O-N 3.11Å; V91-V93 VanDerWaalsContact C-N 3.3Å; V91-V93 HydrophobicContact CG1-CG2 3.86Å; V91-V93 PolarHBondContact O-N 2.85Å
92	Q	89	Confident	91.9	Very high	190 Å²	190	41.3 Å²	41.3	89%	0.888	23%	0.227	S	C	*	.			trans	-72.1	-18.8	-179.4	-66.3	180	0.1	0	0	114.3	L90	L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.07Å
93	V	91.7	Very high	90.8	Very high	53 Å²	53	45.4 Å²	45.4	32%	0.321	25%	0.245	S	C	.	.	S	Bend	trans	-74.1	127.5	174.2	-66.6	0	0	0	0	109.8	H49 Y61 I81 V91	H49-V93 PolarHBondContact NE2-O 2.89Å; Y61-V93 HydrophobicContact CE1-CG1 4.44Å; Y61-V93 HydrophobicContact CE1-CG2 3.68Å; I81-V93 HydrophobicContact CD1-CG2 3.62Å; V91-V93 VanDerWaalsContact C-N 3.3Å; V91-V93 HydrophobicContact CG1-CG2 3.86Å; V91-V93 PolarHBondContact O-N 2.85Å
94	S	93.5	Very high	89.7	Confident	76 Å²	76	47 Å²	47	53%	0.531	25%	0.253	S	S	.	.			trans	-63.8	165.8	167.2	48.6	0	0	0	0	110.9	H117	S94-H117 PolarHBondContact O-NE2 3.06Å
95	C	95.4	Very high	88.3	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	27%	0.274	C	S	.	.			trans	-85.9	177.3	167.6	-152.8	0	0	0	0	110.8	G47 E48 H49	G47-C95 VanDerWaalsContact CA-O 3.25Å; G47-C95 WeakPolarHBondContact CA-O 3.47Å; G47-C95 WeakPolarHBondContact O-CA 3.36Å; G47-C95 WeakPolarHBondContact O-CB 3.19Å; G47-C95 PolarHBondContact O-N 2.77Å; E48-C95 WeakPolarHBondContact O-CB 3.46Å; H49-C95 HydrophobicContact CB-CB 4.3Å; H49-C95 WeakPolarHBondContact ND1-CB 3.42Å; H49-C95 PolarHBondContact ND1-SG 3.23Å; H49-C95 VanDerWaalsContact ND1-SG 3.44Å; H49-C95 PolarHBondContact NE2-N 2.91Å
96	R	92.8	Very high	87.1	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.008	28%	0.28	C	S	.	.			trans	-56.5	131.4	172.3	-171.2	-169.4	132.4	128.6	66.7	109.8	V78 H117 W153 L335	V78-R96 HydrophobicContact CG1-CB 3.83Å; R96-H117 HydrophobicContact CB-CB 4.31Å; R96-H117 HydrophobicContact CG-CB 4.07Å; R96-H117 PolarHBondContact N-CE1 3.27Å; R96-H117 VanDerWaalsContact N-CE1 3.26Å; R96-H117 PolarHBondContact N-NE2 2.94Å; R96-W153 HydrophobicContact CG-CD2 4.35Å; R96-W153 VanDerWaalsContact CG-CE2 3.47Å; R96-W153 HydrophobicContact CG-CZ2 4.07Å; R96-L335 PolarHBondContact NH1-O 3.14Å
97	P	93.1	Very high	86.1	Confident	32 Å²	32	48.8 Å²	48.8	21%	0.208	26%	0.258	C	S	.	.			trans	-62.1	138.5	169.9	27.5	-34.1	0	0	0	109.6	I46 W153	I46-P97 HydrophobicContact CG2-CB 3.91Å; P97-W153 WeakPolarHBondContact O-CZ2 3.42Å
98	T	94.7	Very high	84.9	Confident	14 Å²	14	53.6 Å²	53.6	9%	0.086	28%	0.276	C	S	.	.			trans	-116.5	-8.6	180	60	0	0	0	0	112.9	N336 P337 R338	T98-N336 WeakPolarHBondContact CB-OD1 3.33Å; T98-N336 PolarHBondContact O-ND2 2.8Å; T98-N336 PolarHBondContact O-OD1 2.96Å; T98-P337 HydrophobicContact CG2-CB 4.27Å; T98-P337 HydrophobicContact CG2-CG 3.84Å; T98-R338 PolarHBondContact OG1-NE 3.22Å; T98-R338 VanDerWaalsContact OG1-NE 3.16Å
99	F	94	Very high	83.4	Confident	2 Å²	2	58 Å²	58	1%	0.009	30%	0.304	C	S	.	.			trans	-156.9	165.3	179.8	67.5	-81.3	0	0	0	108.8	A44 I45 I46 E101 P186 I189 K191 F296 R338	A44-F99 HydrophobicContact CB-CE1 4.44Å; A44-F99 HydrophobicContact CB-CZ 4.21Å; I45-F99 VanDerWaalsContact C-CZ 3.48Å; I45-F99 WeakPolarHBondContact O-CE1 3.37Å; I46-F99 HydrophobicContact CB-CZ 4.38Å; I46-F99 HydrophobicContact CD1-CE2 4.35Å; I46-F99 HydrophobicContact CG1-CD2 4.15Å; I46-F99 HydrophobicContact CG1-CE1 4.17Å; I46-F99 HydrophobicContact CG1-CE2 3.54Å; I46-F99 HydrophobicContact CG1-CZ 3.58Å; F99-E101 HydrophobicContact CD2-CG 4.5Å; F99-E101 HydrophobicContact CE2-CG 3.97Å; F99-P186 CarbonylContact C-O 3.56Å; F99-P186 VanDerWaalsContact CA-O 3.27Å; F99-P186 WeakPolarHBondContact CA-O 3.33Å; F99-I189 CarbonylContact C-O 3.54Å; F99-I189 WeakPolarHBondContact CA-O 3.42Å; F99-I189 HydrophobicContact CB-CB 4.17Å; F99-I189 HydrophobicContact CB-CG2 3.87Å; F99-I189 VanDerWaalsContact CB-O 3.27Å; F99-I189 WeakPolarHBondContact CB-O 3.47Å; F99-K191 HydrophobicContact CD2-CB 3.56Å; F99-K191 HydrophobicContact CD2-CD 4.3Å; F99-K191 HydrophobicContact CE2-CB 3.7Å; F99-K191 HydrophobicContact CE2-CD 3.56Å; F99-K191 HydrophobicContact CE2-CG 4.29Å; F99-K191 HydrophobicContact CZ-CD 4.2Å; F99-F296 HydrophobicContact CB-CD1 4.48Å; F99-F296 HydrophobicContact CB-CE1 3.82Å; F99-F296 HydrophobicContact CD1-CE1 4.18Å; F99-F296 AromaticContact CD2-CE1 3.74Å; F99-F296 HydrophobicContact CD2-CE1 3.74Å; F99-F296 HydrophobicContact CD2-CZ 4.22Å; F99-F296 HydrophobicContact CE2-CE1 4.3Å; F99-F296 HydrophobicContact CE2-CZ 4.33Å; F99-F296 AromaticContact CG-CE1 3.66Å; F99-F296 HydrophobicContact CG-CE1 3.66Å; F99-F296 HydrophobicContact CG-CZ 4.3Å; F99-F296 HydrophobicContact CZ-CZ 4.49Å; F99-R338 VanDerWaalsContact CD1-NH2 3.34Å
100	R	90.7	Very high	82.2	Confident	28 Å²	28	56.6 Å²	56.6	11%	0.106	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	157.5	164.2	67.4	177.3	-176	99.3	-8.4	111.4	Y107 E110 T112 P186 D187 I189 I190 K191	R100-Y107 PolarHBondContact NH2-O 3.44Å; R100-Y107 VanDerWaalsContact NH2-O 3.08Å; R100-E110 IonicContact CZ-OE2 3.65Å; R100-E110 IonicContact NH1-OE2 2.82Å; R100-E110 PolarHBondContact NH1-OE2 2.88Å; R100-T112 PolarHBondContact NE-OG1 2.82Å; R100-P186 PolarHBondContact N-O 3.02Å; R100-P186 VanDerWaalsContact N-O 3.15Å; R100-D187 WeakPolarHBondContact CD-O 3.39Å; R100-D187 PolarHBondContact NE-O 2.62Å; R100-I189 PolarHBondContact N-O 3.29Å; R100-I190 HydrophobicContact CG-CG1 4.12Å; R100-I190 CarbonylContact O-C 3.42Å; R100-I190 WeakPolarHBondContact O-CA 3.33Å; R100-K191 PolarHBondContact O-N 3.13Å
101	E	87.7	Confident	80.9	Confident	85 Å²	85	62.6 Å²	62.6	40%	0.397	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	142.7	170.3	-78.7	-179.4	166.6	0	0	110.2	I46 F99 K191 T193	I46-E101 HydrophobicContact CD1-CB 4.39Å; I46-E101 HydrophobicContact CD1-CG 4.11Å; F99-E101 HydrophobicContact CD2-CG 4.5Å; F99-E101 HydrophobicContact CE2-CG 3.97Å; E101-K191 WeakPolarHBondContact CA-O 3.35Å; E101-K191 HydrophobicContact CG-CB 4.05Å; E101-K191 HydrophobicContact CG-CD 3.95Å; E101-K191 HydrophobicContact CG-CG 4.33Å; E101-K191 WeakPolarHBondContact OE1-CD 3.23Å; E101-K191 WeakPolarHBondContact OE1-CE 3.36Å; E101-K191 IonicContact OE1-NZ 3.61Å; E101-K191 PolarHBondContact OE1-NZ 2.91Å; E101-T193 HydrophobicContact CB-CG2 3.88Å; E101-T193 HydrophobicContact CG-CG2 3.88Å
102	A	81.4	Confident	80.2	Confident	5 Å²	5	64.6 Å²	64.6	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	152.6	171.9	0	0	0	0	0	111.7	I190 K191 T193	A102-I190 HydrophobicContact CB-CG2 3.73Å; A102-K191 PolarHBondContact N-O 2.87Å; A102-K191 VanDerWaalsContact N-O 3.12Å; A102-T193 PolarHBondContact O-N 2.86Å; A102-T193 PolarHBondContact O-OG1 3.07Å
103	F	72.5	Confident	80	Confident	91 Å²	91	61.9 Å²	61.9	40%	0.399	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	147.9	173.4	-64.4	-64	0	0	0	111.8	H105 D106 Y107 T193 R195	F103-H105 PolarHBondContact O-N 2.89Å; F103-D106 HydrophobicContact CB-CB 4.34Å; F103-D106 VanDerWaalsContact CB-OD2 3.29Å; F103-D106 WeakPolarHBondContact CB-OD2 3.43Å; F103-D106 PolarHBondContact O-N 3.45Å; F103-Y107 PolarHBondContact O-N 2.72Å; F103-Y107 VanDerWaalsContact O-N 3.08Å; F103-T193 WeakPolarHBondContact CD1-OG1 3.5Å; F103-R195 HydrophobicContact CD1-CG 3.51Å; F103-R195 HydrophobicContact CE1-CG 3.75Å; F103-R195 HydrophobicContact CG-CG 4.16Å
104	I	69.6	Low	79.9	Confident	35 Å²	35	60 Å²	60	18%	0.179	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.5	-176.4	-161.3	172.6	0	0	0	115	Y107 I1252 I1256	I104-Y107 WeakPolarHBondContact O-CD1 3.36Å; I104-I1252 HydrophobicContact CD1-CG2 3.96Å; I104-I1252 HydrophobicContact CG1-CG2 3.84Å; I104-I1256 HydrophobicContact CD1-CD1 4.08Å; I104-I1256 HydrophobicContact CG1-CD1 3.31Å; I104-I1256 WeakPolarHBondContact O-CD1 3.44Å
105	H	65	Low	79.8	Confident	117 Å²	117	59.2 Å²	59.2	54%	0.542	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-32	175.7	-60.7	-76.8	0	0	0	113.3	F103	F103-H105 PolarHBondContact O-N 2.89Å
106	D	66.2	Low	79.8	Confident	51 Å²	51	60.1 Å²	60.1	27%	0.273	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-20.7	-161.5	-52.9	-56.4	0	0	0	112	F103 R108 T109 R195	F103-D106 HydrophobicContact CB-CB 4.34Å; F103-D106 VanDerWaalsContact CB-OD2 3.29Å; F103-D106 WeakPolarHBondContact CB-OD2 3.43Å; F103-D106 PolarHBondContact O-N 3.45Å; D106-R108 PolarHBondContact O-N 3.02Å; D106-T109 PolarHBondContact O-N 2.92Å; D106-T109 PolarHBondContact O-OG1 3.29Å; D106-R195 IonicContact OD1-NH2 3.07Å; D106-R195 IonicContact OD2-CZ 3.37Å; D106-R195 IonicContact OD2-NH2 2.73Å; D106-R195 PolarHBondContact OD2-NH2 2.87Å
107	Y	70.9	Confident	79.9	Confident	12 Å²	12	61 Å²	61	5%	0.047	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-27.6	-171.8	85.4	-82.3	0	0	0	116.3	R100 F103 I104 I190 I1256	R100-Y107 PolarHBondContact NH2-O 3.44Å; R100-Y107 VanDerWaalsContact NH2-O 3.08Å; F103-Y107 PolarHBondContact O-N 2.72Å; F103-Y107 VanDerWaalsContact O-N 3.08Å; I104-Y107 WeakPolarHBondContact O-CD1 3.36Å; Y107-I190 HydrophobicContact CD2-CD1 3.82Å; Y107-I1256 HydrophobicContact CD1-CD1 4.32Å; Y107-I1256 HydrophobicContact CE1-CD1 3.63Å; Y107-I1256 HydrophobicContact CE1-CG1 3.6Å; Y107-I1256 HydrophobicContact CE1-CG2 4.24Å; Y107-I1256 WeakPolarHBondContact OH-CG1 3.3Å
108	R	67.8	Low	80	Confident	101 Å²	101	61.4 Å²	61.4	38%	0.381	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-29.2	-178.3	-72.4	-170.3	171.3	-175.3	-3.5	113.3	D106 K299 I1255	D106-R108 PolarHBondContact O-N 3.02Å; R108-K299 PolarHBondContact O-NZ 2.87Å; R108-I1255 PolarHBondContact NH2-O 2.91Å
109	T	61.6	Low	80	Confident	114 Å²	114	60.9 Å²	60.9	70%	0.699	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-19.8	-163.6	58.9	0	0	0	0	114.8	D106 K111	D106-T109 PolarHBondContact O-N 2.92Å; D106-T109 PolarHBondContact O-OG1 3.29Å; T109-K111 PolarHBondContact O-N 3.02Å; T109-K111 VanDerWaalsContact O-N 3.09Å
110	E	64.6	Low	80	Confident	86 Å²	86	65.3 Å²	65.3	40%	0.402	31%	0.307	S	S	.	.			trans	-76.2	96.4	-174.5	-63.4	170.1	141	0	0	112.2	R100 T112	R100-E110 IonicContact CZ-OE2 3.65Å; R100-E110 IonicContact NH1-OE2 2.82Å; R100-E110 PolarHBondContact NH1-OE2 2.88Å; E110-T112 HydrophobicContact CB-CG2 4.23Å; E110-T112 PolarHBondContact O-N 3.03Å; E110-T112 VanDerWaalsContact O-N 3.14Å; E110-T112 PolarHBondContact O-OG1 3.22Å
111	K	65.2	Low	80	Confident	196 Å²	196	65.5 Å²	65.5	85%	0.852	31%	0.308	S	S	*	.			trans	-59.2	116.4	163.2	-77.9	-168.8	176.7	-175.2	0	108.7	T109	T109-K111 PolarHBondContact O-N 3.02Å; T109-K111 VanDerWaalsContact O-N 3.09Å
112	T	75.9	Confident	79.9	Confident	66 Å²	66	63.2 Å²	63.2	41%	0.405	30%	0.296	S	S	.	.			trans	-132.6	150.5	-171	31.3	0	0	0	0	109.8	R100 E110	R100-T112 PolarHBondContact NE-OG1 2.82Å; E110-T112 HydrophobicContact CB-CG2 4.23Å; E110-T112 PolarHBondContact O-N 3.03Å; E110-T112 VanDerWaalsContact O-N 3.14Å; E110-T112 PolarHBondContact O-OG1 3.22Å
113	Y	85.4	Confident	80	Confident	133 Å²	133	70.8 Å²	70.8	52%	0.522	33%	0.328	S	S	.	.			trans	-141.6	141.8	-175.5	65.2	-93.8	0	0	0	110.4	T115 T171 P173	Y113-T115 HydrophobicContact CD2-CG2 4.3Å; Y113-T115 HydrophobicContact CE2-CG2 3.82Å; Y113-T115 PolarHBondContact O-N 3.24Å; Y113-T171 PolarHBondContact OH-O 3.26Å; Y113-P173 HydrophobicContact CD2-CB 3.6Å; Y113-P173 HydrophobicContact CE2-CB 4.06Å; Y113-P173 HydrophobicContact CG-CB 4.32Å
114	T	90.6	Very high	80.6	Confident	13 Å²	13	67.8 Å²	67.8	8%	0.08	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-72.9	122.7	-177.4	-52	0	0	0	0	110.4	W153 C174 L176 P186 D187	T114-W153 HydrophobicContact CG2-CZ2 4.47Å; T114-C174 WeakPolarHBondContact O-CB 3.47Å; T114-C174 PolarHBondContact O-N 2.82Å; T114-L176 HydrophobicContact CG2-CD2 3.81Å; T114-P186 HydrophobicContact CG2-CG 3.67Å; T114-P186 WeakPolarHBondContact OG1-CD 3.49Å; T114-D187 WeakPolarHBondContact CA-OD2 3.17Å; T114-D187 WeakPolarHBondContact CB-OD2 3.32Å; T114-D187 PolarHBondContact N-OD2 3.37Å; T114-D187 PolarHBondContact OG1-OD2 3.28Å
115	T	91.1	Very high	81.3	Confident	59 Å²	59	71.9 Å²	71.9	36%	0.362	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-82.8	160	173.6	50.9	0	0	0	0	112.4	Y113 H117	Y113-T115 HydrophobicContact CD2-CG2 4.3Å; Y113-T115 HydrophobicContact CE2-CG2 3.82Å; Y113-T115 PolarHBondContact O-N 3.24Å; T115-H117 PolarHBondContact O-N 2.87Å
116	H	95.2	Very high	82.5	Confident	21 Å²	21	72.4 Å²	72.4	10%	0.097	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-68.7	124.5	173.9	-70.6	-75.7	0	0	0	111.7	W118 C151 C154 E172 C174	H116-W118 HydrophobicContact CB-CD2 4.14Å; H116-W118 HydrophobicContact CB-CG 4.49Å; H116-W118 HydrophobicContact CB-CH2 4.39Å; H116-W118 HydrophobicContact CB-CZ2 3.53Å; H116-W118 VanDerWaalsContact CB-NE1 3.32Å; H116-W118 AromaticContact CD2-CZ2 3.83Å; H116-W118 AromaticContact CG-CE2 3.96Å; H116-W118 AromaticContact CG-CZ2 3.53Å; H116-W118 AromaticContact ND1-CZ2 3.98Å; H116-W118 PolarHBondContact O-N 3.03Å; H116-C151 PolarHBondContact ND1-SG 3.15Å; H116-C154 PolarHBondContact CE1-SG 3.29Å; H116-E172 PolarHBondContact CD2-O 2.94Å; H116-C174 HydrophobicContact CB-CB 4.37Å; H116-C174 WeakPolarHBondContact ND1-CB 3.43Å; H116-C174 PolarHBondContact ND1-SG 3.2Å
117	H	95.2	Very high	83.8	Confident	20 Å²	20	76.7 Å²	76.7	9%	0.093	35%	0.354	C	S	.	.			trans	-91.6	101.3	170.5	174.2	-109.2	0	0	0	110.6	S94 R96 T115 I119 C151 T152	S94-H117 PolarHBondContact O-NE2 3.06Å; R96-H117 HydrophobicContact CB-CB 4.31Å; R96-H117 HydrophobicContact CG-CB 4.07Å; R96-H117 PolarHBondContact N-CE1 3.27Å; R96-H117 VanDerWaalsContact N-CE1 3.26Å; R96-H117 PolarHBondContact N-NE2 2.94Å; T115-H117 PolarHBondContact O-N 2.87Å; H117-I119 VanDerWaalsContact CE1-CD1 3.5Å; H117-I119 WeakPolarHBondContact CE1-CD1 3.27Å; H117-I119 VanDerWaalsContact CE1-CG1 3.46Å; H117-I119 WeakPolarHBondContact CE1-CG1 3.26Å; H117-C151 CarbonylContact O-C 3.59Å; H117-C151 WeakPolarHBondContact O-CA 3.49Å; H117-T152 WeakPolarHBondContact ND1-CG2 3.4Å; H117-T152 PolarHBondContact ND1-OG1 2.81Å; H117-T152 PolarHBondContact O-N 2.87Å
118	W	95.3	Very high	84.9	Confident	40 Å²	40	76.2 Å²	76.2	15%	0.152	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.8	-172.6	-64.2	112	0	0	0	113.6	H116 I149 Q150 C151 I156 Y158 F165 Y169	H116-W118 HydrophobicContact CB-CD2 4.14Å; H116-W118 HydrophobicContact CB-CG 4.49Å; H116-W118 HydrophobicContact CB-CH2 4.39Å; H116-W118 HydrophobicContact CB-CZ2 3.53Å; H116-W118 VanDerWaalsContact CB-NE1 3.32Å; H116-W118 AromaticContact CD2-CZ2 3.83Å; H116-W118 AromaticContact CG-CE2 3.96Å; H116-W118 AromaticContact CG-CZ2 3.53Å; H116-W118 AromaticContact ND1-CZ2 3.98Å; H116-W118 PolarHBondContact O-N 3.03Å; W118-I149 HydrophobicContact CB-CG2 3.92Å; W118-I149 HydrophobicContact CD2-CG2 4.12Å; W118-I149 HydrophobicContact CE3-CG2 3.73Å; W118-I149 HydrophobicContact CG-CG2 4.24Å; W118-Q150 VanDerWaalsContact CE3-C 3.48Å; W118-C151 HydrophobicContact CE3-CB 3.9Å; W118-C151 VanDerWaalsContact CE3-N 3.3Å; W118-C151 HydrophobicContact CH2-CB 4.03Å; W118-C151 HydrophobicContact CZ3-CB 3.64Å; W118-C151 VanDerWaalsContact CZ3-N 3.32Å; W118-I156 HydrophobicContact CH2-CD1 3.91Å; W118-I156 HydrophobicContact CH2-CG1 3.86Å; W118-I156 HydrophobicContact CZ3-CG1 4.15Å; W118-Y158 HydrophobicContact CH2-CD2 4.02Å; W118-Y158 AromaticContact CH2-CE2 3.69Å; W118-Y158 HydrophobicContact CH2-CE2 3.69Å; W118-Y158 HydrophobicContact CZ3-CD2 4.04Å; W118-Y158 HydrophobicContact CZ3-CE2 4.17Å; W118-F165 AromaticContact CD2-CE2 3.81Å; W118-F165 HydrophobicContact CD2-CE2 3.81Å; W118-F165 HydrophobicContact CD2-CZ 4.07Å; W118-F165 AromaticContact CE2-CE2 3.84Å; W118-F165 AromaticContact CE3-CE2 3.96Å; W118-F165 HydrophobicContact CE3-CE2 3.96Å; W118-F165 HydrophobicContact CG-CE2 4.38Å; W118-F165 HydrophobicContact CG-CZ 4.18Å; W118-F165 HydrophobicContact CH2-CE2 4.25Å; W118-F165 HydrophobicContact CZ2-CE2 4.08Å; W118-F165 HydrophobicContact CZ3-CE2 4.17Å; W118-Y169 WeakPolarHBondContact CZ2-O 3.12Å; W118-Y169 PolarHBondContact NE1-O 3.06Å
119	I	94.3	Very high	86.2	Confident	3 Å²	3	79.1 Å²	79.1	2%	0.015	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.5	175.5	-66.7	-56.5	0	0	0	111	Y61 C79 I81 H117 Q150 T152	Y61-I119 HydrophobicContact CE2-CG2 4.35Å; C79-I119 HydrophobicContact CB-CG1 4.3Å; I81-I119 HydrophobicContact CD1-CD1 3.99Å; I81-I119 HydrophobicContact CD1-CG2 4.47Å; I81-I119 HydrophobicContact CG1-CG2 4.17Å; H117-I119 VanDerWaalsContact CE1-CD1 3.5Å; H117-I119 WeakPolarHBondContact CE1-CD1 3.27Å; H117-I119 VanDerWaalsContact CE1-CG1 3.46Å; H117-I119 WeakPolarHBondContact CE1-CG1 3.26Å; I119-Q150 PolarHBondContact N-O 3.45Å; I119-Q150 PolarHBondContact O-N 3.45Å; I119-T152 HydrophobicContact CB-CG2 4.07Å; I119-T152 HydrophobicContact CG1-CG2 3.54Å
120	K	93	Very high	87.7	Confident	95 Å²	95	76.9 Å²	76.9	41%	0.413	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.7	175.5	-68.9	178.9	177.1	174.3	0	111	Y61 Y146 T148 I149	Y61-K120 WeakPolarHBondContact CE2-O 3.37Å; K120-Y146 HydrophobicContact CB-CD1 3.44Å; K120-Y146 VanDerWaalsContact CB-CD1 3.44Å; K120-Y146 HydrophobicContact CB-CD2 4.39Å; K120-Y146 HydrophobicContact CB-CE1 3.85Å; K120-Y146 HydrophobicContact CB-CG 3.7Å; K120-Y146 HydrophobicContact CD-CD2 4.27Å; K120-Y146 HydrophobicContact CD-CG 4.3Å; K120-T148 CarbonylContact C-O 3.56Å; K120-T148 WeakPolarHBondContact CA-O 3.24Å; K120-I149 HydrophobicContact CG-CG1 4.17Å
121	R	90.6	Very high	89	Confident	33 Å²	33	75.2 Å²	75.2	13%	0.125	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.6	178.8	-62.3	-168.2	-175.9	-69.1	-12.2	112.7	C79 Y146 I147 T148	C79-R121 PolarHBondContact O-NH2 2.87Å; R121-Y146 CarbonylContact O-C 3.55Å; R121-Y146 WeakPolarHBondContact O-CA 3.48Å; R121-I147 PolarHBondContact O-N 3.46Å; R121-T148 PolarHBondContact N-O 3.44Å; R121-T148 PolarHBondContact O-N 2.8Å; R121-T148 VanDerWaalsContact O-N 3.13Å
122	R	87	Confident	90.3	Very high	37 Å²	37	68.3 Å²	68.3	14%	0.14	33%	0.331	C	S	.	.	S	Bend	trans	-94.5	-9.5	176.5	-55.8	-164.9	178.5	95.2	4.5	113.9	T59 C60 Y61 D63 K144 E145 Y146 I147	T59-R122 PolarHBondContact OG1-NH1 2.91Å; C60-R122 PolarHBondContact O-NH1 3.31Å; Y61-R122 PolarHBondContact O-NH1 3.32Å; Y61-R122 PolarHBondContact O-NH2 3.17Å; D63-R122 IonicContact OD1-CZ 2.9Å; D63-R122 IonicContact OD1-NH2 2.68Å; D63-R122 PolarHBondContact OD1-NH2 3.08Å; R122-K144 WeakPolarHBondContact CD-O 3.39Å; R122-K144 PolarHBondContact NE-O 2.74Å; R122-E145 WeakPolarHBondContact CG-O 3.31Å; R122-Y146 HydrophobicContact CG-CD1 3.81Å; R122-Y146 HydrophobicContact CG-CE1 4.23Å; R122-Y146 HydrophobicContact CG-CG 4.39Å; R122-Y146 PolarHBondContact NH2-OH 3.32Å; R122-I147 WeakPolarHBondContact O-CD1 3.48Å
123	K	83.5	Confident	91.1	Very high	163 Å²	163	72.2 Å²	72.2	71%	0.709	34%	0.343	S	S	*	.			trans	-141.3	143.1	170.3	-67.2	-172.8	176.7	-171.5	0	109.3
124	Q	85.5	Confident	91.3	Very high	28 Å²	28	67.9 Å²	67.9	13%	0.131	33%	0.332	C	S	.	.			trans	-166.9	122.8	167.8	-168.7	64.8	55	0	0	110.4	K126 L135 Q136 T148	Q124-K126 HydrophobicContact CG-CB 4.45Å; Q124-L135 HydrophobicContact CB-CB 4.05Å; Q124-L135 HydrophobicContact CB-CD1 4.2Å; Q124-L135 HydrophobicContact CG-CB 4.42Å; Q124-L135 HydrophobicContact CG-CD1 3.73Å; Q124-L135 WeakPolarHBondContact O-CB 3.33Å; Q124-Q136 WeakPolarHBondContact O-CB 3.22Å; Q124-Q136 PolarHBondContact O-N 2.78Å; Q124-T148 HydrophobicContact CB-CG2 4.23Å; Q124-T148 HydrophobicContact CG-CG2 4.44Å
125	N	84.3	Confident	91.1	Very high	121 Å²	121	67.3 Å²	67.3	65%	0.647	33%	0.328	S	S	*	.			trans	-78.8	-20	-175.3	-64.2	-6.5	0	0	0	114.2
126	K	89.9	Confident	90.9	Very high	129 Å²	129	68.2 Å²	68.2	56%	0.561	33%	0.329	S	S	*	.	S	Bend	trans	-68.5	164.6	-174.3	-59.2	-155.7	175.8	-140.3	0	113.6	Q124 L135	Q124-K126 HydrophobicContact CG-CB 4.45Å; K126-L135 HydrophobicContact CB-CD1 4.38Å; K126-L135 WeakPolarHBondContact O-CB 3.41Å; K126-L135 WeakPolarHBondContact O-CD1 3.34Å; K126-L135 WeakPolarHBondContact O-CG 3.4Å; K126-L135 PolarHBondContact O-N 3.24Å
127	K	92.9	Very high	89.7	Confident	141 Å²	141	70.6 Å²	70.6	61%	0.613	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-75.5	149.4	175.2	-63.6	167.8	-171.5	161.6	0	111.1	G132	K127-G132 WeakPolarHBondContact CB-O 3.39Å
128	C	94.5	Very high	88.1	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.014	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-81.7	122.7	176.1	176	0	0	0	0	111	Q130 C131 G132 K133 L135 G157 H159	C128-Q130 VanDerWaalsContact C-N 3.28Å; C128-Q130 PolarHBondContact O-N 3.36Å; C128-C131 PolarHBondContact O-N 3.32Å; C128-G132 WeakPolarHBondContact O-CA 3.18Å; C128-G132 PolarHBondContact O-N 3.49Å; C128-K133 VanDerWaalsContact CB-O 3.27Å; C128-K133 WeakPolarHBondContact CB-O 3.21Å; C128-K133 PolarHBondContact N-O 3.32Å; C128-L135 HydrophobicContact CB-CD2 3.67Å; C128-L135 HydrophobicContact CB-CG 4.2Å; C128-G157 WeakPolarHBondContact CA-O 3.42Å; C128-H159 VanDerWaalsContact CB-CE1 3.41Å; C128-H159 WeakPolarHBondContact CB-CE1 3.45Å; C128-H159 WeakPolarHBondContact CB-ND1 3.26Å; C128-H159 PolarHBondContact SG-N 3.01Å; C128-H159 VanDerWaalsContact SG-N 3.44Å; C128-H159 PolarHBondContact SG-ND1 3.12Å; C128-H159 VanDerWaalsContact SG-ND1 3.37Å
129	K	94.3	Very high	86.2	Confident	162 Å²	162	78.6 Å²	78.6	70%	0.704	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-27.4	-173.3	-175.5	61.2	176.7	178.3	0	113.8	G157 Y158	K129-G157 PolarHBondContact N-O 3.37Å; K129-Y158 HydrophobicContact CB-CD1 4.39Å; K129-Y158 HydrophobicContact CB-CE1 3.8Å; K129-Y158 HydrophobicContact CG-CE1 4.4Å
130	Q	93.4	Very high	84.7	Confident	66 Å²	66	82 Å²	82	31%	0.308	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-24.7	178.7	-179.8	61.6	107.1	0	0	114	C128 Y158 C164 Y169	C128-Q130 VanDerWaalsContact C-N 3.28Å; C128-Q130 PolarHBondContact O-N 3.36Å; Q130-Y158 HydrophobicContact CB-CD1 3.66Å; Q130-Y158 HydrophobicContact CB-CE1 3.74Å; Q130-C164 WeakPolarHBondContact CB-O 3.21Å; Q130-Y169 PolarHBondContact OE1-OH 3.3Å; Q130-Y169 VanDerWaalsContact OE1-OH 3.08Å
131	C	93.2	Very high	83	Confident	52 Å²	52	80 Å²	80	35%	0.351	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	6.4	-170.9	76	0	0	0	0	115.9	C128 K133 H159	C128-C131 PolarHBondContact O-N 3.32Å; C131-K133 PolarHBondContact O-N 3.49Å; C131-H159 VanDerWaalsContact SG-CE1 3.55Å; C131-H159 PolarHBondContact SG-ND1 3.47Å; C131-H159 VanDerWaalsContact SG-ND1 3.44Å
132	G	92.1	Very high	81.6	Confident	50 Å²	50	81.1 Å²	81.1	52%	0.515	43%	0.432	S	S	.	.			trans	70.2	-26.5	177.4	0	0	0	0	0	115.9	K127 C128	K127-G132 WeakPolarHBondContact CB-O 3.39Å; C128-G132 WeakPolarHBondContact O-CA 3.18Å; C128-G132 PolarHBondContact O-N 3.49Å
133	K	91.2	Very high	80.5	Confident	149 Å²	149	84.5 Å²	84.5	65%	0.648	46%	0.462	S	S	*	.	S	Bend	trans	-68.6	146.4	-174.6	-64.8	170.1	-173.2	-179.7	0	111.8	C128 C131 L135	C128-K133 VanDerWaalsContact CB-O 3.27Å; C128-K133 WeakPolarHBondContact CB-O 3.21Å; C128-K133 PolarHBondContact N-O 3.32Å; C131-K133 PolarHBondContact O-N 3.49Å; K133-L135 PolarHBondContact O-N 2.74Å
134	S	90.3	Very high	79.8	Confident	42 Å²	42	81.7 Å²	81.7	29%	0.294	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-56	134.5	177.3	165.9	0	0	0	0	111.7	Q136 S137 H159	S134-Q136 PolarHBondContact O-N 3.43Å; S134-Q136 PolarHBondContact OG-N 2.91Å; S134-S137 PolarHBondContact O-N 2.88Å; S134-S137 PolarHBondContact O-OG 3.49Å; S134-H159 PolarHBondContact O-NE2 2.82Å
135	L	87.5	Confident	79.4	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.005	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.3	178.2	-71.6	167.2	0	0	0	112.6	Q124 K126 C128 K133 I147 T148 Y158 H159	Q124-L135 HydrophobicContact CB-CB 4.05Å; Q124-L135 HydrophobicContact CB-CD1 4.2Å; Q124-L135 HydrophobicContact CG-CB 4.42Å; Q124-L135 HydrophobicContact CG-CD1 3.73Å; Q124-L135 WeakPolarHBondContact O-CB 3.33Å; K126-L135 HydrophobicContact CB-CD1 4.38Å; K126-L135 WeakPolarHBondContact O-CB 3.41Å; K126-L135 WeakPolarHBondContact O-CD1 3.34Å; K126-L135 WeakPolarHBondContact O-CG 3.4Å; K126-L135 PolarHBondContact O-N 3.24Å; C128-L135 HydrophobicContact CB-CD2 3.67Å; C128-L135 HydrophobicContact CB-CG 4.2Å; K133-L135 PolarHBondContact O-N 2.74Å; L135-I147 WeakPolarHBondContact O-CD1 3.46Å; L135-T148 WeakPolarHBondContact CB-OG1 3.5Å; L135-T148 HydrophobicContact CD1-CG2 3.99Å; L135-T148 HydrophobicContact CD2-CG2 4.15Å; L135-Y158 VanDerWaalsContact CD2-C 3.43Å; L135-H159 WeakPolarHBondContact CA-NE2 3.47Å
136	Q	85.5	Confident	79.5	Confident	78 Å²	78	80.4 Å²	80.4	36%	0.364	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-23.7	178.9	-161.6	55.4	64.2	0	0	114.1	Q124 S134 I138	Q124-Q136 WeakPolarHBondContact O-CB 3.22Å; Q124-Q136 PolarHBondContact O-N 2.78Å; S134-Q136 PolarHBondContact O-N 3.43Å; S134-Q136 PolarHBondContact OG-N 2.91Å; Q136-I138 PolarHBondContact O-N 2.72Å
137	S	70.7	Confident	79.5	Confident	71 Å²	71	74.6 Å²	74.6	50%	0.497	41%	0.414	S	S	.	.			trans	-81.7	7.4	-159.6	66	0	0	0	0	117.6	S134 L139	S134-S137 PolarHBondContact O-N 2.88Å; S134-S137 PolarHBondContact O-OG 3.49Å; S137-L139 PolarHBondContact O-N 2.82Å
138	I	61.2	Low	79.4	Confident	47 Å²	47	67.9 Å²	67.9	24%	0.241	39%	0.385	C	S	.	.			trans	-84.4	102.4	-172.6	-67.6	-176.1	0	0	0	111.9	Q136 G140 F141 H159	Q136-I138 PolarHBondContact O-N 2.72Å; I138-G140 PolarHBondContact O-N 3.28Å; I138-F141 HydrophobicContact CB-CD2 3.79Å; I138-F141 HydrophobicContact CB-CE2 3.99Å; I138-F141 HydrophobicContact CD1-CE2 4.04Å; I138-F141 HydrophobicContact CG2-CD2 3.63Å; I138-F141 HydrophobicContact CG2-CE2 3.83Å; I138-H159 HydrophobicContact CD1-CB 4.34Å; I138-H159 WeakPolarHBondContact CD1-CD2 3.49Å
139	L	56.1	Low	79.4	Confident	181 Å²	181	68.5 Å²	68.5	95%	0.948	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	102.7	158.8	-67.2	167	0	0	0	109.5	S137	S137-L139 PolarHBondContact O-N 2.82Å
140	G	62	Low	79.4	Confident	75 Å²	75	61.1 Å²	61.1	77%	0.773	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	139	-12.4	175.4	0	0	0	0	0	116.3	I138	I138-G140 PolarHBondContact O-N 3.28Å
141	F	58.2	Low	79.5	Confident	53 Å²	53	58 Å²	58	23%	0.232	34%	0.341	C	S	.	.			trans	-82.3	141.4	167.3	-74.5	-70.2	0	0	0	111.1	I138 E145 I147 K161	I138-F141 HydrophobicContact CB-CD2 3.79Å; I138-F141 HydrophobicContact CB-CE2 3.99Å; I138-F141 HydrophobicContact CD1-CE2 4.04Å; I138-F141 HydrophobicContact CG2-CD2 3.63Å; I138-F141 HydrophobicContact CG2-CE2 3.83Å; F141-E145 WeakPolarHBondContact CA-OE2 3.43Å; F141-E145 HydrophobicContact CD1-CB 4.09Å; F141-I147 HydrophobicContact CB-CG2 3.71Å; F141-I147 HydrophobicContact CD1-CG2 4.09Å; F141-I147 HydrophobicContact CD2-CB 3.85Å; F141-I147 HydrophobicContact CD2-CG2 3.59Å; F141-I147 HydrophobicContact CE2-CB 3.9Å; F141-I147 HydrophobicContact CE2-CG2 4.13Å; F141-I147 HydrophobicContact CG-CB 4.27Å; F141-I147 HydrophobicContact CG-CG2 3.57Å; F141-I147 HydrophobicContact CZ-CB 4.36Å; F141-K161 HydrophobicContact CZ-CD 4.45Å; F141-K161 VanDerWaalsContact CZ-CE 3.45Å; F141-K161 HydrophobicContact CZ-CG 4.24Å
142	S	60.4	Low	79.6	Confident	55 Å²	55	55.5 Å²	55.5	39%	0.385	32%	0.324	S	S	.	.			trans	-70.5	149	163.5	179.3	0	0	0	0	110.2	K144 E145	S142-K144 PolarHBondContact O-N 3.32Å; S142-E145 PolarHBondContact N-OE2 3.34Å; S142-E145 PolarHBondContact O-N 3.26Å
143	S	64.3	Low	79.8	Confident	108 Å²	108	53.3 Å²	53.3	76%	0.755	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-2.5	175.9	68.3	0	0	0	0	114.4
144	K	67.5	Low	80	Confident	104 Å²	104	46.9 Å²	46.9	45%	0.452	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-14.4	179	-54.4	-174	178.5	-141.3	0	113.1	E64 R122 S142	E64-K144 WeakPolarHBondContact OE1-CD 3.32Å; E64-K144 WeakPolarHBondContact OE1-CE 3.46Å; E64-K144 IonicContact OE1-NZ 2.73Å; E64-K144 PolarHBondContact OE1-NZ 3.47Å; E64-K144 IonicContact OE2-NZ 2.87Å; E64-K144 PolarHBondContact OE2-NZ 3.4Å; R122-K144 WeakPolarHBondContact CD-O 3.39Å; R122-K144 PolarHBondContact NE-O 2.74Å; S142-K144 PolarHBondContact O-N 3.32Å
145	E	78.8	Confident	80.2	Confident	93 Å²	93	46.7 Å²	46.7	44%	0.435	27%	0.268	S	S	.	.	S	Bend	trans	-89.8	152	-174	-70.5	168.6	156.2	0	0	111.7	R122 F141 S142 I147	R122-E145 WeakPolarHBondContact CG-O 3.31Å; F141-E145 WeakPolarHBondContact CA-OE2 3.43Å; F141-E145 HydrophobicContact CD1-CB 4.09Å; S142-E145 PolarHBondContact N-OE2 3.34Å; S142-E145 PolarHBondContact O-N 3.26Å; E145-I147 PolarHBondContact O-N 3.44Å
146	Y	86.2	Confident	80.5	Confident	29 Å²	29	49.1 Å²	49.1	11%	0.114	28%	0.28	C	S	.	.			trans	-75.5	117.3	169.2	-61	-79.6	0	0	0	109.2	Y61 K120 R121 R122 N160	Y61-Y146 HydrophobicContact CD2-CE1 4.06Å; Y61-Y146 AromaticContact CE2-CE1 3.8Å; Y61-Y146 HydrophobicContact CE2-CE1 3.8Å; Y61-Y146 PolarHBondContact O-OH 2.95Å; K120-Y146 HydrophobicContact CB-CD1 3.44Å; K120-Y146 VanDerWaalsContact CB-CD1 3.44Å; K120-Y146 HydrophobicContact CB-CD2 4.39Å; K120-Y146 HydrophobicContact CB-CE1 3.85Å; K120-Y146 HydrophobicContact CB-CG 3.7Å; K120-Y146 HydrophobicContact CD-CD2 4.27Å; K120-Y146 HydrophobicContact CD-CG 4.3Å; R121-Y146 CarbonylContact O-C 3.55Å; R121-Y146 WeakPolarHBondContact O-CA 3.48Å; R122-Y146 HydrophobicContact CG-CD1 3.81Å; R122-Y146 HydrophobicContact CG-CE1 4.23Å; R122-Y146 HydrophobicContact CG-CG 4.39Å; R122-Y146 PolarHBondContact NH2-OH 3.32Å; Y146-N160 VanDerWaalsContact O-CB 3.31Å; Y146-N160 WeakPolarHBondContact O-CB 3.46Å; Y146-N160 PolarHBondContact O-ND2 2.9Å
147	I	88.6	Confident	81	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.041	27%	0.265	C	S	.	.			trans	-93.5	-21.3	-177.1	71.2	-179.3	0	0	0	112.2	R121 R122 L135 F141 E145 H159 N160	R121-I147 PolarHBondContact O-N 3.46Å; R122-I147 WeakPolarHBondContact O-CD1 3.48Å; L135-I147 WeakPolarHBondContact O-CD1 3.46Å; F141-I147 HydrophobicContact CB-CG2 3.71Å; F141-I147 HydrophobicContact CD1-CG2 4.09Å; F141-I147 HydrophobicContact CD2-CB 3.85Å; F141-I147 HydrophobicContact CD2-CG2 3.59Å; F141-I147 HydrophobicContact CE2-CB 3.9Å; F141-I147 HydrophobicContact CE2-CG2 4.13Å; F141-I147 HydrophobicContact CG-CB 4.27Å; F141-I147 HydrophobicContact CG-CG2 3.57Å; F141-I147 HydrophobicContact CZ-CB 4.36Å; E145-I147 PolarHBondContact O-N 3.44Å; I147-H159 WeakPolarHBondContact O-CA 3.35Å; I147-N160 PolarHBondContact O-N 3.31Å
148	T	92	Very high	82.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145	-171.8	-65.9	0	0	0	0	111.8	K120 R121 Q124 L135 Q150 Y158	K120-T148 CarbonylContact C-O 3.56Å; K120-T148 WeakPolarHBondContact CA-O 3.24Å; R121-T148 PolarHBondContact N-O 3.44Å; R121-T148 PolarHBondContact O-N 2.8Å; R121-T148 VanDerWaalsContact O-N 3.13Å; Q124-T148 HydrophobicContact CB-CG2 4.23Å; Q124-T148 HydrophobicContact CG-CG2 4.44Å; L135-T148 WeakPolarHBondContact CB-OG1 3.5Å; L135-T148 HydrophobicContact CD1-CG2 3.99Å; L135-T148 HydrophobicContact CD2-CG2 4.15Å; T148-Q150 HydrophobicContact CG2-CB 4.07Å; T148-Y158 CarbonylContact C-O 3.56Å; T148-Y158 WeakPolarHBondContact CA-O 3.45Å
149	I	93.9	Very high	83.7	Confident	14 Å²	14	41.2 Å²	41.2	7%	0.072	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.6	158.4	-61.6	166.9	0	0	0	106.8	W118 K120 G157 Y158 N160 F165	W118-I149 HydrophobicContact CB-CG2 3.92Å; W118-I149 HydrophobicContact CD2-CG2 4.12Å; W118-I149 HydrophobicContact CE3-CG2 3.73Å; W118-I149 HydrophobicContact CG-CG2 4.24Å; K120-I149 HydrophobicContact CG-CG1 4.17Å; I149-G157 WeakPolarHBondContact O-CA 3.48Å; I149-Y158 PolarHBondContact N-O 3.48Å; I149-Y158 PolarHBondContact O-N 3.49Å; I149-N160 WeakPolarHBondContact CD1-OD1 3.22Å; I149-N160 HydrophobicContact CG1-CB 4.19Å; I149-F165 HydrophobicContact CB-CD2 4.13Å; I149-F165 HydrophobicContact CB-CE2 4.33Å; I149-F165 HydrophobicContact CB-CG 4.49Å; I149-F165 HydrophobicContact CD1-CB 4.07Å; I149-F165 HydrophobicContact CD1-CD1 3.61Å; I149-F165 HydrophobicContact CD1-CD2 4.13Å; I149-F165 HydrophobicContact CD1-CE1 4.05Å; I149-F165 HydrophobicContact CD1-CG 3.65Å; I149-F165 HydrophobicContact CD1-CZ 4.48Å; I149-F165 HydrophobicContact CG2-CD2 3.98Å; I149-F165 HydrophobicContact CG2-CE2 3.66Å; I149-F165 HydrophobicContact CG2-CZ 3.99Å
150	Q	94.8	Very high	85.3	Confident	7 Å²	7	35 Å²	35	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139	-175.9	-166.2	-164.6	28.2	0	0	111.5	W118 I119 T148 K155 I156	W118-Q150 VanDerWaalsContact CE3-C 3.48Å; I119-Q150 PolarHBondContact N-O 3.45Å; I119-Q150 PolarHBondContact O-N 3.45Å; T148-Q150 HydrophobicContact CG2-CB 4.07Å; Q150-K155 WeakPolarHBondContact CG-O 3.37Å; Q150-K155 PolarHBondContact NE2-O 3.12Å; Q150-I156 WeakPolarHBondContact CA-O 3.43Å; Q150-I156 VanDerWaalsContact CG-O 3.23Å; Q150-I156 WeakPolarHBondContact CG-O 3.1Å
151	C	95.7	Very high	86.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	129.8	171.8	-169	0	0	0	0	110.2	H116 H117 W118 W153 K155 I156	H116-C151 PolarHBondContact ND1-SG 3.15Å; H117-C151 CarbonylContact O-C 3.59Å; H117-C151 WeakPolarHBondContact O-CA 3.49Å; W118-C151 HydrophobicContact CE3-CB 3.9Å; W118-C151 VanDerWaalsContact CE3-N 3.3Å; W118-C151 HydrophobicContact CH2-CB 4.03Å; W118-C151 HydrophobicContact CZ3-CB 3.64Å; W118-C151 VanDerWaalsContact CZ3-N 3.32Å; C151-W153 VanDerWaalsContact C-N 3.26Å; C151-W153 PolarHBondContact O-N 3.11Å; C151-K155 WeakPolarHBondContact O-CA 3.33Å; C151-K155 PolarHBondContact O-N 3.23Å; C151-I156 HydrophobicContact CB-CG1 4.1Å; C151-I156 PolarHBondContact N-O 3.44Å
152	T	95.3	Very high	88.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-12.2	176.9	70.3	0	0	0	0	113.5	C79 H117 I119 K155 W333	C79-T152 HydrophobicContact CB-CG2 4.17Å; H117-T152 WeakPolarHBondContact ND1-CG2 3.4Å; H117-T152 PolarHBondContact ND1-OG1 2.81Å; H117-T152 PolarHBondContact O-N 2.87Å; I119-T152 HydrophobicContact CB-CG2 4.07Å; I119-T152 HydrophobicContact CG1-CG2 3.54Å; T152-K155 PolarHBondContact O-NZ 2.89Å; T152-W333 HydrophobicContact CG2-CZ3 4.39Å
153	W	95.2	Very high	89.5	Confident	5 Å²	5	40.4 Å²	40.4	2%	0.019	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-93.2	171	-77.9	127	0	0	0	110.2	R96 P97 T114 C151 K155 C174 L176 I183 P186 L335 N336	R96-W153 HydrophobicContact CG-CD2 4.35Å; R96-W153 VanDerWaalsContact CG-CE2 3.47Å; R96-W153 HydrophobicContact CG-CZ2 4.07Å; P97-W153 WeakPolarHBondContact O-CZ2 3.42Å; T114-W153 HydrophobicContact CG2-CZ2 4.47Å; C151-W153 VanDerWaalsContact C-N 3.26Å; C151-W153 PolarHBondContact O-N 3.11Å; W153-K155 WeakPolarHBondContact O-CD 3.35Å; W153-K155 WeakPolarHBondContact O-CE 3.33Å; W153-K155 WeakPolarHBondContact O-CG 3.41Å; W153-K155 PolarHBondContact O-N 3.12Å; W153-C174 WeakPolarHBondContact CB-SG 3.43Å; W153-L176 CarbonylContact C-O 3.57Å; W153-L176 HydrophobicContact CD2-CD2 4.01Å; W153-L176 HydrophobicContact CE3-CD2 4.22Å; W153-L176 HydrophobicContact CG-CD2 4.23Å; W153-I183 HydrophobicContact CE3-CD1 3.69Å; W153-I183 HydrophobicContact CE3-CG1 4.46Å; W153-I183 HydrophobicContact CE3-CG2 4.31Å; W153-I183 HydrophobicContact CH2-CG2 4.09Å; W153-I183 HydrophobicContact CZ3-CB 4.24Å; W153-I183 HydrophobicContact CZ3-CD1 3.85Å; W153-I183 HydrophobicContact CZ3-CG1 3.9Å; W153-I183 HydrophobicContact CZ3-CG2 3.28Å; W153-P186 HydrophobicContact CZ2-CB 3.94Å; W153-P186 HydrophobicContact CZ2-CG 3.5Å; W153-L335 WeakPolarHBondContact CZ3-O 3.48Å; W153-N336 HydrophobicContact CH2-CB 3.51Å; W153-N336 HydrophobicContact CZ3-CB 4.11Å
154	C	95.3	Very high	90.9	Very high	13 Å²	13	35.8 Å²	35.8	9%	0.088	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	7.8	-174.7	60.3	0	0	0	0	115.6	H116 I156 L176	H116-C154 PolarHBondContact CE1-SG 3.29Å; C154-I156 HydrophobicContact CB-CG2 4.45Å; C154-I156 PolarHBondContact O-N 3.15Å; C154-L176 VanDerWaalsContact CA-O 3.26Å; C154-L176 WeakPolarHBondContact CA-O 3.4Å; C154-L176 PolarHBondContact N-O 3.35Å
155	K	94.5	Very high	92.2	Very high	39 Å²	39	32.3 Å²	32.3	17%	0.17	18%	0.177	C	C	.	.			trans	58.9	0.3	175.3	-43.6	-56.5	178.5	-175.6	0	116	Q150 C151 T152 W153 W333	Q150-K155 WeakPolarHBondContact CG-O 3.37Å; Q150-K155 PolarHBondContact NE2-O 3.12Å; C151-K155 WeakPolarHBondContact O-CA 3.33Å; C151-K155 PolarHBondContact O-N 3.23Å; T152-K155 PolarHBondContact O-NZ 2.89Å; W153-K155 WeakPolarHBondContact O-CD 3.35Å; W153-K155 WeakPolarHBondContact O-CE 3.33Å; W153-K155 WeakPolarHBondContact O-CG 3.41Å; W153-K155 PolarHBondContact O-N 3.12Å; K155-W333 HydrophobicContact CD-CH2 4.17Å; K155-W333 HydrophobicContact CD-CZ2 3.83Å; K155-W333 PolarHBondContact NZ-O 3.09Å
156	I	94.5	Very high	92.8	Very high	52 Å²	52	34.4 Å²	34.4	27%	0.267	18%	0.181	S	C	.	.			trans	-59.2	143.1	176.4	72	-177.3	0	0	0	111	W118 Q150 C151 C154 Y158	W118-I156 HydrophobicContact CH2-CD1 3.91Å; W118-I156 HydrophobicContact CH2-CG1 3.86Å; W118-I156 HydrophobicContact CZ3-CG1 4.15Å; Q150-I156 WeakPolarHBondContact CA-O 3.43Å; Q150-I156 VanDerWaalsContact CG-O 3.23Å; Q150-I156 WeakPolarHBondContact CG-O 3.1Å; C151-I156 HydrophobicContact CB-CG1 4.1Å; C151-I156 PolarHBondContact N-O 3.44Å; C154-I156 HydrophobicContact CB-CG2 4.45Å; C154-I156 PolarHBondContact O-N 3.15Å; I156-Y158 HydrophobicContact CD1-CE2 4.42Å
157	G	95.1	Very high	92.9	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.2	-174.5	0	0	0	0	0	113.2	C128 K129 I149	C128-G157 WeakPolarHBondContact CA-O 3.42Å; K129-G157 PolarHBondContact N-O 3.37Å; I149-G157 WeakPolarHBondContact O-CA 3.48Å
158	Y	95.4	Very high	92.9	Very high	20 Å²	20	42.9 Å²	42.9	8%	0.078	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.2	177.7	-61.6	-76.1	0	0	0	109.6	W118 K129 Q130 L135 T148 I149 I156 C164 F165 Y169	W118-Y158 HydrophobicContact CH2-CD2 4.02Å; W118-Y158 AromaticContact CH2-CE2 3.69Å; W118-Y158 HydrophobicContact CH2-CE2 3.69Å; W118-Y158 HydrophobicContact CZ3-CD2 4.04Å; W118-Y158 HydrophobicContact CZ3-CE2 4.17Å; K129-Y158 HydrophobicContact CB-CD1 4.39Å; K129-Y158 HydrophobicContact CB-CE1 3.8Å; K129-Y158 HydrophobicContact CG-CE1 4.4Å; Q130-Y158 HydrophobicContact CB-CD1 3.66Å; Q130-Y158 HydrophobicContact CB-CE1 3.74Å; L135-Y158 VanDerWaalsContact CD2-C 3.43Å; T148-Y158 CarbonylContact C-O 3.56Å; T148-Y158 WeakPolarHBondContact CA-O 3.45Å; I149-Y158 PolarHBondContact N-O 3.48Å; I149-Y158 PolarHBondContact O-N 3.49Å; I156-Y158 HydrophobicContact CD1-CE2 4.42Å; Y158-C164 WeakPolarHBondContact CD1-O 3.25Å; Y158-F165 AromaticContact CD2-CD2 3.65Å; Y158-F165 HydrophobicContact CD2-CD2 3.65Å; Y158-F165 HydrophobicContact CD2-CE2 4.16Å; Y158-F165 HydrophobicContact CE2-CD2 4.45Å; Y158-F165 HydrophobicContact CG-CD2 4.08Å; Y158-Y169 HydrophobicContact CD1-CE2 4.37Å; Y158-Y169 HydrophobicContact CD2-CD2 4.24Å; Y158-Y169 AromaticContact CE1-CE2 3.95Å; Y158-Y169 HydrophobicContact CE1-CE2 3.95Å; Y158-Y169 AromaticContact CE2-CD2 3.82Å; Y158-Y169 HydrophobicContact CE2-CD2 3.82Å; Y158-Y169 HydrophobicContact CE2-CE2 4.06Å; Y158-Y169 HydrophobicContact CE2-CG 4.46Å; Y158-Y169 AromaticContact CZ-CD2 4Å; Y158-Y169 AromaticContact CZ-CE2 3.76Å
159	H	92.8	Very high	92.9	Very high	4 Å²	4	44 Å²	44	2%	0.019	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	143.2	168.4	-61.3	111.1	0	0	0	109.7	C128 C131 S134 L135 I138 I147 K161 C164	C128-H159 VanDerWaalsContact CB-CE1 3.41Å; C128-H159 WeakPolarHBondContact CB-CE1 3.45Å; C128-H159 WeakPolarHBondContact CB-ND1 3.26Å; C128-H159 PolarHBondContact SG-N 3.01Å; C128-H159 VanDerWaalsContact SG-N 3.44Å; C128-H159 PolarHBondContact SG-ND1 3.12Å; C128-H159 VanDerWaalsContact SG-ND1 3.37Å; C131-H159 VanDerWaalsContact SG-CE1 3.55Å; C131-H159 PolarHBondContact SG-ND1 3.47Å; C131-H159 VanDerWaalsContact SG-ND1 3.44Å; S134-H159 PolarHBondContact O-NE2 2.82Å; L135-H159 WeakPolarHBondContact CA-NE2 3.47Å; I138-H159 HydrophobicContact CD1-CB 4.34Å; I138-H159 WeakPolarHBondContact CD1-CD2 3.49Å; I147-H159 WeakPolarHBondContact O-CA 3.35Å; H159-K161 PolarHBondContact O-N 3.39Å; H159-C164 HydrophobicContact CB-CB 3.91Å
160	N	90.7	Very high	92.6	Very high	51 Å²	51	47.4 Å²	47.4	27%	0.273	25%	0.249	S	C	.	.	S	Bend	trans	-73.8	63.9	177.7	-178	40	0	0	0	111.3	Y146 I147 I149	Y146-N160 VanDerWaalsContact O-CB 3.31Å; Y146-N160 WeakPolarHBondContact O-CB 3.46Å; Y146-N160 PolarHBondContact O-ND2 2.9Å; I147-N160 PolarHBondContact O-N 3.31Å; I149-N160 WeakPolarHBondContact CD1-OD1 3.22Å; I149-N160 HydrophobicContact CG1-CB 4.19Å
161	K	88.9	Confident	92.1	Very high	89 Å²	89	51.7 Å²	51.7	39%	0.387	28%	0.276	S	S	.	.	S	Bend	trans	-147.3	141.9	179.8	-62.1	-171.4	179.2	-173.5	0	108.9	F141 H159 S163 C164 F165	F141-K161 HydrophobicContact CZ-CD 4.45Å; F141-K161 VanDerWaalsContact CZ-CE 3.45Å; F141-K161 HydrophobicContact CZ-CG 4.24Å; H159-K161 PolarHBondContact O-N 3.39Å; K161-S163 PolarHBondContact O-N 2.79Å; K161-S163 VanDerWaalsContact O-N 3.13Å; K161-C164 PolarHBondContact O-N 2.79Å; K161-F165 PolarHBondContact O-N 3.06Å
162	S	89.2	Confident	91.9	Very high	115 Å²	115	54.9 Å²	54.9	80%	0.804	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.3	179.5	49.4	0	0	0	0	114.4	C164	S162-C164 PolarHBondContact O-N 2.78Å
163	S	90.8	Very high	91.7	Very high	93 Å²	93	59 Å²	59	65%	0.65	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-9.3	172.1	59.6	0	0	0	0	114.5	K161	K161-S163 PolarHBondContact O-N 2.79Å; K161-S163 VanDerWaalsContact O-N 3.13Å
164	C	93.5	Very high	91.7	Very high	11 Å²	11	59.3 Å²	59.3	7%	0.074	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-31.9	-176.7	-66.6	0	0	0	0	112.8	Q130 Y158 H159 K161 S162	Q130-C164 WeakPolarHBondContact CB-O 3.21Å; Y158-C164 WeakPolarHBondContact CD1-O 3.25Å; H159-C164 HydrophobicContact CB-CB 3.91Å; K161-C164 PolarHBondContact O-N 2.79Å; S162-C164 PolarHBondContact O-N 2.78Å
165	F	94.5	Very high	91.6	Very high	31 Å²	31	63 Å²	63	14%	0.136	35%	0.346	C	S	.	.			trans	-117.1	117.9	176.1	-172.9	-95.9	0	0	0	109.7	W118 I149 Y158 K161 Y169 L170	W118-F165 AromaticContact CD2-CE2 3.81Å; W118-F165 HydrophobicContact CD2-CE2 3.81Å; W118-F165 HydrophobicContact CD2-CZ 4.07Å; W118-F165 AromaticContact CE2-CE2 3.84Å; W118-F165 AromaticContact CE3-CE2 3.96Å; W118-F165 HydrophobicContact CE3-CE2 3.96Å; W118-F165 HydrophobicContact CG-CE2 4.38Å; W118-F165 HydrophobicContact CG-CZ 4.18Å; W118-F165 HydrophobicContact CH2-CE2 4.25Å; W118-F165 HydrophobicContact CZ2-CE2 4.08Å; W118-F165 HydrophobicContact CZ3-CE2 4.17Å; I149-F165 HydrophobicContact CB-CD2 4.13Å; I149-F165 HydrophobicContact CB-CE2 4.33Å; I149-F165 HydrophobicContact CB-CG 4.49Å; I149-F165 HydrophobicContact CD1-CB 4.07Å; I149-F165 HydrophobicContact CD1-CD1 3.61Å; I149-F165 HydrophobicContact CD1-CD2 4.13Å; I149-F165 HydrophobicContact CD1-CE1 4.05Å; I149-F165 HydrophobicContact CD1-CG 3.65Å; I149-F165 HydrophobicContact CD1-CZ 4.48Å; I149-F165 HydrophobicContact CG2-CD2 3.98Å; I149-F165 HydrophobicContact CG2-CE2 3.66Å; I149-F165 HydrophobicContact CG2-CZ 3.99Å; Y158-F165 AromaticContact CD2-CD2 3.65Å; Y158-F165 HydrophobicContact CD2-CD2 3.65Å; Y158-F165 HydrophobicContact CD2-CE2 4.16Å; Y158-F165 HydrophobicContact CE2-CD2 4.45Å; Y158-F165 HydrophobicContact CG-CD2 4.08Å; K161-F165 PolarHBondContact O-N 3.06Å; F165-Y169 AromaticContact CD2-CD2 3.91Å; F165-Y169 HydrophobicContact CD2-CD2 3.91Å; F165-Y169 HydrophobicContact CE2-CD2 4.16Å; F165-Y169 HydrophobicContact CG-CD2 4.37Å; F165-L170 HydrophobicContact CE1-CD2 4.08Å; F165-L170 HydrophobicContact CZ-CD2 3.88Å
166	R	91.8	Very high	91.5	Very high	137 Å²	137	62 Å²	62	52%	0.517	34%	0.342	S	S	.	.			trans	-96.3	154.5	178.8	-57	-179.8	-168.6	-177.2	1.8	110.2	S168 Y169	R166-S168 VanDerWaalsContact C-N 3.29Å; R166-S168 PolarHBondContact O-N 2.78Å; R166-Y169 HydrophobicContact CB-CD1 4.4Å; R166-Y169 HydrophobicContact CB-CD2 4.03Å; R166-Y169 HydrophobicContact CB-CE1 4.23Å; R166-Y169 HydrophobicContact CB-CE2 3.83Å; R166-Y169 HydrophobicContact CB-CG 4.31Å; R166-Y169 HydrophobicContact CG-CE1 4.48Å; R166-Y169 HydrophobicContact CG-CE2 3.9Å; R166-Y169 VanDerWaalsContact N-CD2 3.26Å; R166-Y169 VanDerWaalsContact N-CE2 3.33Å; R166-Y169 PolarHBondContact NE-OH 3.49Å; R166-Y169 WeakPolarHBondContact O-CB 3.16Å; R166-Y169 PolarHBondContact O-N 3.41Å
167	E	88.7	Confident	91.5	Very high	162 Å²	162	60.4 Å²	60.4	76%	0.757	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-70.9	-24	-179.8	-161.7	163.5	-165	0	0	112.9	Y169 L170	E167-Y169 PolarHBondContact O-N 3.32Å; E167-L170 HydrophobicContact CG-CD1 3.96Å; E167-L170 WeakPolarHBondContact O-CB 3.15Å; E167-L170 WeakPolarHBondContact O-CG 3.46Å; E167-L170 PolarHBondContact O-N 3Å; E167-L170 VanDerWaalsContact O-N 3.14Å
168	S	88.8	Confident	91.4	Very high	53 Å²	53	65.7 Å²	65.7	37%	0.371	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-59.6	-31.9	173.3	69.7	0	0	0	0	113.1	R166 L170 T171 E172	R166-S168 VanDerWaalsContact C-N 3.29Å; R166-S168 PolarHBondContact O-N 2.78Å; S168-L170 PolarHBondContact O-N 2.86Å; S168-T171 PolarHBondContact O-N 2.78Å; S168-T171 PolarHBondContact O-OG1 3.46Å; S168-E172 VanDerWaalsContact C-OE1 3.22Å; S168-E172 WeakPolarHBondContact CB-OE1 3.44Å; S168-E172 WeakPolarHBondContact O-CG 3.48Å; S168-E172 PolarHBondContact O-N 2.92Å; S168-E172 PolarHBondContact OG-OE1 3.28Å
169	Y	90.6	Very high	91.3	Very high	22 Å²	22	66.9 Å²	66.9	9%	0.086	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-61.9	-10.9	178.7	-55.4	-23.3	0	0	0	112.8	W118 Q130 Y158 F165 R166 E167 E172	W118-Y169 WeakPolarHBondContact CZ2-O 3.12Å; W118-Y169 PolarHBondContact NE1-O 3.06Å; Q130-Y169 PolarHBondContact OE1-OH 3.3Å; Q130-Y169 VanDerWaalsContact OE1-OH 3.08Å; Y158-Y169 HydrophobicContact CD1-CE2 4.37Å; Y158-Y169 HydrophobicContact CD2-CD2 4.24Å; Y158-Y169 AromaticContact CE1-CE2 3.95Å; Y158-Y169 HydrophobicContact CE1-CE2 3.95Å; Y158-Y169 AromaticContact CE2-CD2 3.82Å; Y158-Y169 HydrophobicContact CE2-CD2 3.82Å; Y158-Y169 HydrophobicContact CE2-CE2 4.06Å; Y158-Y169 HydrophobicContact CE2-CG 4.46Å; Y158-Y169 AromaticContact CZ-CD2 4Å; Y158-Y169 AromaticContact CZ-CE2 3.76Å; F165-Y169 AromaticContact CD2-CD2 3.91Å; F165-Y169 HydrophobicContact CD2-CD2 3.91Å; F165-Y169 HydrophobicContact CE2-CD2 4.16Å; F165-Y169 HydrophobicContact CG-CD2 4.37Å; R166-Y169 HydrophobicContact CB-CD1 4.4Å; R166-Y169 HydrophobicContact CB-CD2 4.03Å; R166-Y169 HydrophobicContact CB-CE1 4.23Å; R166-Y169 HydrophobicContact CB-CE2 3.83Å; R166-Y169 HydrophobicContact CB-CG 4.31Å; R166-Y169 HydrophobicContact CG-CE1 4.48Å; R166-Y169 HydrophobicContact CG-CE2 3.9Å; R166-Y169 VanDerWaalsContact N-CD2 3.26Å; R166-Y169 VanDerWaalsContact N-CE2 3.33Å; R166-Y169 PolarHBondContact NE-OH 3.49Å; R166-Y169 WeakPolarHBondContact O-CB 3.16Å; R166-Y169 PolarHBondContact O-N 3.41Å; E167-Y169 PolarHBondContact O-N 3.32Å; Y169-E172 WeakPolarHBondContact CD1-OE1 3.48Å; Y169-E172 VanDerWaalsContact CD1-OE2 3.31Å; Y169-E172 WeakPolarHBondContact CD1-OE2 3.35Å; Y169-E172 PolarHBondContact N-OE1 3.04Å
170	L	87.5	Confident	91.3	Very high	86 Å²	86	68.7 Å²	68.7	45%	0.45	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-78	-27	173.2	-59.6	179.7	0	0	0	113.8	F165 E167 S168	F165-L170 HydrophobicContact CE1-CD2 4.08Å; F165-L170 HydrophobicContact CZ-CD2 3.88Å; E167-L170 HydrophobicContact CG-CD1 3.96Å; E167-L170 WeakPolarHBondContact O-CB 3.15Å; E167-L170 WeakPolarHBondContact O-CG 3.46Å; E167-L170 PolarHBondContact O-N 3Å; E167-L170 VanDerWaalsContact O-N 3.14Å; S168-L170 PolarHBondContact O-N 2.86Å
171	T	86	Confident	91.4	Very high	97 Å²	97	68.3 Å²	68.3	60%	0.595	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-13.3	-176	51.5	0	0	0	0	114	Y113 S168	Y113-T171 PolarHBondContact OH-O 3.26Å; S168-T171 PolarHBondContact O-N 2.78Å; S168-T171 PolarHBondContact O-OG1 3.46Å
172	E	90.8	Very high	91.8	Very high	68 Å²	68	64.4 Å²	64.4	32%	0.318	37%	0.374	S	S	.	.	S	Bend	trans	-66.2	144.9	179.8	-74.2	162.7	-144.9	0	0	113.1	H116 S168 Y169	H116-E172 PolarHBondContact CD2-O 2.94Å; S168-E172 VanDerWaalsContact C-OE1 3.22Å; S168-E172 WeakPolarHBondContact CB-OE1 3.44Å; S168-E172 WeakPolarHBondContact O-CG 3.48Å; S168-E172 PolarHBondContact O-N 2.92Å; S168-E172 PolarHBondContact OG-OE1 3.28Å; Y169-E172 WeakPolarHBondContact CD1-OE1 3.48Å; Y169-E172 VanDerWaalsContact CD1-OE2 3.31Å; Y169-E172 WeakPolarHBondContact CD1-OE2 3.35Å; Y169-E172 PolarHBondContact N-OE1 3.04Å
173	P	91.9	Very high	92	Very high	87 Å²	87	59.2 Å²	59.2	57%	0.565	34%	0.337	S	S	*	.	B	Isolated β-bridge	trans	-71.8	136.7	178.4	29.9	-34.9	0	0	0	111.8	Y113	Y113-P173 HydrophobicContact CD2-CB 3.6Å; Y113-P173 HydrophobicContact CE2-CB 4.06Å; Y113-P173 HydrophobicContact CG-CB 4.32Å
174	C	94.1	Very high	92.2	Very high	11 Å²	11	54.8 Å²	54.8	7%	0.074	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-89.4	119	-178.7	174.6	0	0	0	0	111.7	T114 H116 W153 L176	T114-C174 WeakPolarHBondContact O-CB 3.47Å; T114-C174 PolarHBondContact O-N 2.82Å; H116-C174 HydrophobicContact CB-CB 4.37Å; H116-C174 WeakPolarHBondContact ND1-CB 3.43Å; H116-C174 PolarHBondContact ND1-SG 3.2Å; W153-C174 WeakPolarHBondContact CB-SG 3.43Å; C174-L176 PolarHBondContact O-N 3.22Å; C174-L176 PolarHBondContact SG-N 3.18Å
175	S	93.2	Very high	92.2	Very high	89 Å²	89	55.1 Å²	55.1	62%	0.622	31%	0.309	S	S	*	.			trans	-63.4	3.4	175.4	58.7	0	0	0	0	116.2	G177	S175-G177 PolarHBondContact O-N 3.17Å
176	L	93.6	Very high	92.1	Very high	18 Å²	18	53.8 Å²	53.8	9%	0.094	30%	0.303	C	S	.	.			trans	61.7	-23.8	-175.7	-54.8	-179.6	0	0	0	116.1	T114 W153 C154 C174 I183 P185	T114-L176 HydrophobicContact CG2-CD2 3.81Å; W153-L176 CarbonylContact C-O 3.57Å; W153-L176 HydrophobicContact CD2-CD2 4.01Å; W153-L176 HydrophobicContact CE3-CD2 4.22Å; W153-L176 HydrophobicContact CG-CD2 4.23Å; C154-L176 VanDerWaalsContact CA-O 3.26Å; C154-L176 WeakPolarHBondContact CA-O 3.4Å; C154-L176 PolarHBondContact N-O 3.35Å; C174-L176 PolarHBondContact O-N 3.22Å; C174-L176 PolarHBondContact SG-N 3.18Å; L176-I183 HydrophobicContact CB-CD1 4.15Å; L176-I183 HydrophobicContact CD1-CB 4.27Å; L176-I183 HydrophobicContact CD1-CG2 3.82Å; L176-P185 HydrophobicContact CD1-CG 4.24Å
177	G	93.9	Very high	92	Very high	19 Å²	19	48.5 Å²	48.5	20%	0.196	29%	0.285	C	S	.	.			trans	86.5	-163.2	177.5	0	0	0	0	0	112.7	S175 Y179 S180	S175-G177 PolarHBondContact O-N 3.17Å; G177-Y179 PolarHBondContact O-N 3.42Å; G177-S180 WeakPolarHBondContact O-CB 3.23Å; G177-S180 PolarHBondContact O-N 3.17Å; G177-S180 PolarHBondContact O-OG 3.1Å
178	S	92.3	Very high	92	Very high	117 Å²	117	42 Å²	42	82%	0.818	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	1.2	-171.4	-40.7	0	0	0	0	117.2
179	Y	93.8	Very high	92.2	Very high	45 Å²	45	39.5 Å²	39.5	18%	0.176	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	16.8	175.2	-48.9	-78	0	0	0	111.8	G177 D181 L182 I183 L334 S417 L420	G177-Y179 PolarHBondContact O-N 3.42Å; Y179-D181 PolarHBondContact O-N 3.48Å; Y179-L182 HydrophobicContact CD1-CD1 4.37Å; Y179-L182 PolarHBondContact O-N 3.29Å; Y179-I183 WeakPolarHBondContact O-CD1 3.48Å; Y179-I183 VanDerWaalsContact O-CG1 3.24Å; Y179-I183 WeakPolarHBondContact O-CG1 3.37Å; Y179-I183 PolarHBondContact O-N 3.04Å; Y179-L334 HydrophobicContact CE2-CD2 3.91Å; Y179-S417 WeakPolarHBondContact OH-CB 3.36Å; Y179-S417 PolarHBondContact OH-OG 3.09Å; Y179-L420 HydrophobicContact CD1-CB 4.46Å; Y179-L420 HydrophobicContact CD1-CD1 3.86Å; Y179-L420 HydrophobicContact CE1-CB 4.42Å; Y179-L420 HydrophobicContact CE1-CD1 3.9Å
180	S	93.4	Very high	92.1	Very high	42 Å²	42	38.4 Å²	38.4	29%	0.294	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-42.5	-49.3	177.7	43.7	0	0	0	0	112.1	G177 L182 I183	G177-S180 WeakPolarHBondContact O-CB 3.23Å; G177-S180 PolarHBondContact O-N 3.17Å; G177-S180 PolarHBondContact O-OG 3.1Å; S180-L182 PolarHBondContact O-N 2.58Å; S180-I183 PolarHBondContact O-N 2.85Å
181	D	92.9	Very high	92.1	Very high	42 Å²	42	35.2 Å²	35.2	23%	0.225	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-72.9	-20.6	-172.1	-55.9	18.9	0	0	0	113	Y179 L308 K309 Y424	Y179-D181 PolarHBondContact O-N 3.48Å; D181-L308 HydrophobicContact CB-CD2 4.28Å; D181-K309 CarbonylContact O-C 3.56Å; D181-K309 PolarHBondContact O-N 2.82Å; D181-Y424 HydrophobicContact CB-CD2 4.33Å; D181-Y424 HydrophobicContact CB-CE2 3.56Å; D181-Y424 WeakPolarHBondContact OD2-CE2 3.42Å; D181-Y424 PolarHBondContact OD2-OH 3.5Å
182	L	95.6	Very high	92	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.037	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-95.7	-19.6	178	-60.2	-176.3	0	0	0	112.2	Y179 S180 K309 I311 L335 Q339 L420 Y424	Y179-L182 HydrophobicContact CD1-CD1 4.37Å; Y179-L182 PolarHBondContact O-N 3.29Å; S180-L182 PolarHBondContact O-N 2.58Å; L182-K309 VanDerWaalsContact CD2-O 3.23Å; L182-K309 WeakPolarHBondContact CD2-O 3.39Å; L182-I311 HydrophobicContact CB-CB 4.47Å; L182-I311 HydrophobicContact CB-CG2 4.11Å; L182-I311 HydrophobicContact CD2-CB 4.47Å; L182-I311 PolarHBondContact O-N 2.9Å; L182-L335 HydrophobicContact CB-CD2 4.22Å; L182-Q339 PolarHBondContact O-NE2 3.43Å; L182-L420 HydrophobicContact CD1-CB 3.72Å; L182-L420 HydrophobicContact CD1-CD2 4.13Å; L182-L420 HydrophobicContact CD1-CG 4.35Å; L182-Y424 HydrophobicContact CD2-CD2 3.8Å; L182-Y424 HydrophobicContact CD2-CG 4.48Å; L182-Y424 HydrophobicContact CG-CD2 4.44Å
183	I	95.3	Very high	91.1	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	18%	0.184	C	C	.	.			trans	-85.3	129.7	-174.7	-74.2	161.4	0	0	0	110.5	W153 L176 Y179 S180 P185 L335	W153-I183 HydrophobicContact CE3-CD1 3.69Å; W153-I183 HydrophobicContact CE3-CG1 4.46Å; W153-I183 HydrophobicContact CE3-CG2 4.31Å; W153-I183 HydrophobicContact CH2-CG2 4.09Å; W153-I183 HydrophobicContact CZ3-CB 4.24Å; W153-I183 HydrophobicContact CZ3-CD1 3.85Å; W153-I183 HydrophobicContact CZ3-CG1 3.9Å; W153-I183 HydrophobicContact CZ3-CG2 3.28Å; L176-I183 HydrophobicContact CB-CD1 4.15Å; L176-I183 HydrophobicContact CD1-CB 4.27Å; L176-I183 HydrophobicContact CD1-CG2 3.82Å; Y179-I183 WeakPolarHBondContact O-CD1 3.48Å; Y179-I183 VanDerWaalsContact O-CG1 3.24Å; Y179-I183 WeakPolarHBondContact O-CG1 3.37Å; Y179-I183 PolarHBondContact O-N 3.04Å; S180-I183 PolarHBondContact O-N 2.85Å; I183-P185 VanDerWaalsContact O-CD 3.31Å; I183-P185 WeakPolarHBondContact O-CD 3.24Å; I183-L335 HydrophobicContact CG1-CD2 4.36Å
184	V	93.8	Very high	89.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.181	C	C	.	.			trans	-82.6	113.7	160.6	175.1	0	0	0	0	108.1	W188 I189 I298 P310 N336 Q339 F355 V358	V184-W188 HydrophobicContact CG1-CB 4.13Å; V184-W188 HydrophobicContact CG1-CE3 4.19Å; V184-I189 HydrophobicContact CG1-CD1 4.04Å; V184-I189 HydrophobicContact CG1-CG1 3.8Å; V184-I298 HydrophobicContact CG1-CG2 4.3Å; V184-P310 HydrophobicContact CG2-CB 3.74Å; V184-N336 PolarHBondContact O-ND2 2.77Å; V184-Q339 HydrophobicContact CB-CG 4.07Å; V184-Q339 HydrophobicContact CG2-CG 4.22Å; V184-F355 HydrophobicContact CB-CE1 4.13Å; V184-F355 HydrophobicContact CG1-CE1 4.23Å; V184-F355 HydrophobicContact CG2-CD1 4.17Å; V184-F355 HydrophobicContact CG2-CE1 3.84Å; V184-V358 HydrophobicContact CG2-CG1 4.36Å
185	P	92.9	Very high	87.6	Confident	18 Å²	18	36.9 Å²	36.9	12%	0.117	20%	0.203	C	C	.	.			trans	-58.3	148.5	-177.7	-24.8	35.1	0	0	0	112.5	L176 I183 D187 W188 I189	L176-P185 HydrophobicContact CD1-CG 4.24Å; I183-P185 VanDerWaalsContact O-CD 3.31Å; I183-P185 WeakPolarHBondContact O-CD 3.24Å; P185-D187 PolarHBondContact O-N 3.37Å; P185-W188 HydrophobicContact CB-CG 4.24Å; P185-W188 HydrophobicContact CG-CD2 4.13Å; P185-W188 HydrophobicContact CG-CG 4.16Å; P185-W188 WeakPolarHBondContact O-CB 3.36Å; P185-W188 PolarHBondContact O-N 3.03Å; P185-W188 VanDerWaalsContact O-N 3.09Å; P185-I189 PolarHBondContact O-N 3.04Å
186	P	93.3	Very high	85.2	Confident	4 Å²	4	36.5 Å²	36.5	3%	0.026	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.7	174.2	29.5	-35.9	0	0	0	111.6	F99 R100 T114 W153 W188 I189	F99-P186 CarbonylContact C-O 3.56Å; F99-P186 VanDerWaalsContact CA-O 3.27Å; F99-P186 WeakPolarHBondContact CA-O 3.33Å; R100-P186 PolarHBondContact N-O 3.02Å; R100-P186 VanDerWaalsContact N-O 3.15Å; T114-P186 HydrophobicContact CG2-CG 3.67Å; T114-P186 WeakPolarHBondContact OG1-CD 3.49Å; W153-P186 HydrophobicContact CZ2-CB 3.94Å; W153-P186 HydrophobicContact CZ2-CG 3.5Å; P186-W188 VanDerWaalsContact C-N 3.28Å; P186-W188 PolarHBondContact O-N 3.39Å; P186-I189 PolarHBondContact O-N 3.1Å
187	D	89.4	Confident	82.6	Confident	25 Å²	25	38.4 Å²	38.4	13%	0.134	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-21.1	178.7	-53.5	-81.9	0	0	0	113.5	R100 T114 P185	R100-D187 WeakPolarHBondContact CD-O 3.39Å; R100-D187 PolarHBondContact NE-O 2.62Å; T114-D187 WeakPolarHBondContact CA-OD2 3.17Å; T114-D187 WeakPolarHBondContact CB-OD2 3.32Å; T114-D187 PolarHBondContact N-OD2 3.37Å; T114-D187 PolarHBondContact OG1-OD2 3.28Å; P185-D187 PolarHBondContact O-N 3.37Å
188	W	88.9	Confident	79.9	Confident	26 Å²	26	45.9 Å²	45.9	10%	0.098	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-31.1	172	-68.6	14.8	0	0	0	111.4	V184 P185 P186 I190 I298 K299 T300 N301 T305 L308	V184-W188 HydrophobicContact CG1-CB 4.13Å; V184-W188 HydrophobicContact CG1-CE3 4.19Å; P185-W188 HydrophobicContact CB-CG 4.24Å; P185-W188 HydrophobicContact CG-CD2 4.13Å; P185-W188 HydrophobicContact CG-CG 4.16Å; P185-W188 WeakPolarHBondContact O-CB 3.36Å; P185-W188 PolarHBondContact O-N 3.03Å; P185-W188 VanDerWaalsContact O-N 3.09Å; P186-W188 VanDerWaalsContact C-N 3.28Å; P186-W188 PolarHBondContact O-N 3.39Å; W188-I190 PolarHBondContact O-N 2.81Å; W188-I298 HydrophobicContact CB-CG2 4.3Å; W188-I298 CarbonylContact O-C 3.57Å; W188-I298 WeakPolarHBondContact O-CA 3.26Å; W188-K299 VanDerWaalsContact CA-O 3.22Å; W188-K299 WeakPolarHBondContact CA-O 3.36Å; W188-K299 WeakPolarHBondContact CB-O 3.48Å; W188-K299 VanDerWaalsContact CG-O 3.25Å; W188-K299 PolarHBondContact O-N 2.96Å; W188-T300 HydrophobicContact CE3-CG2 3.89Å; W188-T300 HydrophobicContact CZ3-CG2 3.85Å; W188-N301 HydrophobicContact CZ2-CB 4.27Å; W188-T305 HydrophobicContact CH2-CG2 4.28Å; W188-L308 HydrophobicContact CH2-CD1 3.77Å; W188-L308 HydrophobicContact CZ2-CD1 4.22Å
189	I	92.1	Very high	77.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	107	179.6	-53.1	-172.3	0	0	0	109.3	W40 F99 R100 V184 P185 P186 F296 I298 N336 R338 F355	W40-I189 HydrophobicContact CZ3-CG2 4.26Å; F99-I189 CarbonylContact C-O 3.54Å; F99-I189 WeakPolarHBondContact CA-O 3.42Å; F99-I189 HydrophobicContact CB-CB 4.17Å; F99-I189 HydrophobicContact CB-CG2 3.87Å; F99-I189 VanDerWaalsContact CB-O 3.27Å; F99-I189 WeakPolarHBondContact CB-O 3.47Å; R100-I189 PolarHBondContact N-O 3.29Å; V184-I189 HydrophobicContact CG1-CD1 4.04Å; V184-I189 HydrophobicContact CG1-CG1 3.8Å; P185-I189 PolarHBondContact O-N 3.04Å; P186-I189 PolarHBondContact O-N 3.1Å; I189-F296 HydrophobicContact CG2-CD1 3.86Å; I189-F296 HydrophobicContact CG2-CE1 4.4Å; I189-I298 HydrophobicContact CD1-CD1 4.41Å; I189-I298 HydrophobicContact CG1-CD1 4.16Å; I189-I298 HydrophobicContact CG1-CG1 4.22Å; I189-N336 WeakPolarHBondContact CD1-ND2 3.18Å; I189-R338 HydrophobicContact CD1-CB 3.74Å; I189-F355 HydrophobicContact CD1-CZ 4.14Å
190	I	88.5	Confident	74.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.4	-172.2	-57.8	169.5	0	0	0	109.5	R100 A102 Y107 W188 L192 F296 V297 K299	R100-I190 HydrophobicContact CG-CG1 4.12Å; R100-I190 CarbonylContact O-C 3.42Å; R100-I190 WeakPolarHBondContact O-CA 3.33Å; A102-I190 HydrophobicContact CB-CG2 3.73Å; Y107-I190 HydrophobicContact CD2-CD1 3.82Å; W188-I190 PolarHBondContact O-N 2.81Å; I190-L192 HydrophobicContact CG2-CD2 4.35Å; I190-F296 CarbonylContact O-C 3.6Å; I190-F296 VanDerWaalsContact O-CA 3.29Å; I190-F296 WeakPolarHBondContact O-CA 3.19Å; I190-V297 PolarHBondContact N-O 2.74Å; I190-V297 PolarHBondContact O-N 2.99Å; I190-K299 HydrophobicContact CD1-CB 3.87Å
191	K	89.5	Confident	72.4	Confident	19 Å²	19	51.4 Å²	51.4	8%	0.083	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120	164.2	-179.6	-176.1	166.4	-160.8	0	108.6	N42 A44 F99 R100 E101 A102 T193 S295 F296	N42-K191 WeakPolarHBondContact O-CE 3.37Å; N42-K191 PolarHBondContact O-NZ 2.91Å; A44-K191 PolarHBondContact O-NZ 3.3Å; F99-K191 HydrophobicContact CD2-CB 3.56Å; F99-K191 HydrophobicContact CD2-CD 4.3Å; F99-K191 HydrophobicContact CE2-CB 3.7Å; F99-K191 HydrophobicContact CE2-CD 3.56Å; F99-K191 HydrophobicContact CE2-CG 4.29Å; F99-K191 HydrophobicContact CZ-CD 4.2Å; R100-K191 PolarHBondContact O-N 3.13Å; E101-K191 WeakPolarHBondContact CA-O 3.35Å; E101-K191 HydrophobicContact CG-CB 4.05Å; E101-K191 HydrophobicContact CG-CD 3.95Å; E101-K191 HydrophobicContact CG-CG 4.33Å; E101-K191 WeakPolarHBondContact OE1-CD 3.23Å; E101-K191 WeakPolarHBondContact OE1-CE 3.36Å; E101-K191 IonicContact OE1-NZ 3.61Å; E101-K191 PolarHBondContact OE1-NZ 2.91Å; A102-K191 PolarHBondContact N-O 2.87Å; A102-K191 VanDerWaalsContact N-O 3.12Å; K191-T193 PolarHBondContact O-N 3.19Å; K191-S295 WeakPolarHBondContact CA-O 3.46Å; K191-F296 HydrophobicContact CB-CD1 4.05Å; K191-F296 HydrophobicContact CB-CE1 3.67Å; K191-F296 HydrophobicContact CB-CE2 4.4Å; K191-F296 HydrophobicContact CB-CZ 3.85Å; K191-F296 HydrophobicContact CD-CE2 4.45Å; K191-F296 HydrophobicContact CD-CZ 4.07Å; K191-F296 HydrophobicContact CG-CE1 4.31Å; K191-F296 HydrophobicContact CG-CE2 4.18Å; K191-F296 HydrophobicContact CG-CZ 3.98Å
192	L	82.1	Confident	69.9	Low	14 Å²	14	53.9 Å²	53.9	7%	0.073	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	118.3	178.2	-64.2	-179.6	0	0	0	109.8	I190 S295 V297 I1256	I190-L192 HydrophobicContact CG2-CD2 4.35Å; L192-S295 PolarHBondContact N-O 3.46Å; L192-V297 HydrophobicContact CD1-CG2 3.74Å; L192-V297 HydrophobicContact CD2-CG2 4.39Å; L192-V297 HydrophobicContact CG-CG2 4Å; L192-I1256 HydrophobicContact CD1-CG2 4.17Å
193	T	72.5	Confident	67.5	Low	32 Å²	32	57.3 Å²	57.3	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.5	174.7	56.1	0	0	0	0	111.1	E101 A102 F103 K191	E101-T193 HydrophobicContact CB-CG2 3.88Å; E101-T193 HydrophobicContact CG-CG2 3.88Å; A102-T193 PolarHBondContact O-N 2.86Å; A102-T193 PolarHBondContact O-OG1 3.07Å; F103-T193 WeakPolarHBondContact CD1-OG1 3.5Å; K191-T193 PolarHBondContact O-N 3.19Å
194	E	62.2	Low	65.2	Low	110 Å²	110	61.1 Å²	61.1	51%	0.514	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-69.5	131.9	169.6	-63.5	-163.5	-155.9	0	0	110.6	V196 R1249	E194-V196 PolarHBondContact O-N 3.18Å; E194-R1249 VanDerWaalsContact CD-NH1 3.29Å; E194-R1249 IonicContact OE1-CZ 3.48Å; E194-R1249 IonicContact OE1-NH1 2.71Å; E194-R1249 PolarHBondContact OE1-NH1 3.5Å; E194-R1249 IonicContact OE1-NH2 3.45Å; E194-R1249 PolarHBondContact OE1-NH2 3.45Å; E194-R1249 IonicContact OE2-CZ 3.45Å; E194-R1249 IonicContact OE2-NH1 3.41Å; E194-R1249 PolarHBondContact OE2-NH1 3.43Å; E194-R1249 IonicContact OE2-NH2 2.72Å; E194-R1249 PolarHBondContact OE2-NH2 3.44Å
195	R	50.8	Low	62.8	Low	142 Å²	142	69.6 Å²	69.6	54%	0.536	34%	0.34	S	S	.	.			trans	-68.3	102.8	156.9	-69.2	-171.3	-173	179.1	7.5	107.1	F103 D106 S197	F103-R195 HydrophobicContact CD1-CG 3.51Å; F103-R195 HydrophobicContact CE1-CG 3.75Å; F103-R195 HydrophobicContact CG-CG 4.16Å; D106-R195 IonicContact OD1-NH2 3.07Å; D106-R195 IonicContact OD2-CZ 3.37Å; D106-R195 IonicContact OD2-NH2 2.73Å; D106-R195 PolarHBondContact OD2-NH2 2.87Å; R195-S197 PolarHBondContact O-N 3.15Å
196	V	42.6	Very low	60.8	Low	80 Å²	80	73.5 Å²	73.5	49%	0.485	36%	0.359	S	S	.	.			trans	-49.4	114.5	165.4	175.6	0	0	0	0	106.8	E194 F201	E194-V196 PolarHBondContact O-N 3.18Å; V196-F201 HydrophobicContact CB-CD2 4.44Å; V196-F201 HydrophobicContact CB-CE2 3.9Å; V196-F201 HydrophobicContact CG1-CD2 3.96Å; V196-F201 HydrophobicContact CG1-CE2 3.79Å; V196-F201 HydrophobicContact CG1-CZ 4.49Å
197	S	38.2	Very low	58.7	Low	59 Å²	59	80.6 Å²	80.6	41%	0.413	39%	0.386	S	S	.	.			trans	-62.4	146.1	-166	69.6	0	0	0	0	110.6	R195 F199 S200 F201	R195-S197 PolarHBondContact O-N 3.15Å; S197-F199 PolarHBondContact O-N 2.74Å; S197-F199 VanDerWaalsContact O-N 3.07Å; S197-S200 WeakPolarHBondContact O-CA 3.41Å; S197-S200 WeakPolarHBondContact O-CB 3.48Å; S197-S200 PolarHBondContact O-N 3.1Å; S197-S200 WeakPolarHBondContact OG-CB 3.31Å; S197-S200 PolarHBondContact OG-N 2.93Å; S197-S200 VanDerWaalsContact OG-N 3.08Å; S197-F201 PolarHBondContact O-N 3.24Å
198	F	38.7	Very low	57	Low	175 Å²	175	83.8 Å²	83.8	77%	0.768	40%	0.403	S	S	*	.	H	α-helix	trans	-56.9	-26.6	175.3	-89.6	-93	0	0	0	111.9	F201 I202	F198-F201 WeakPolarHBondContact O-CB 3.49Å; F198-F201 PolarHBondContact O-N 3.26Å; F198-I202 VanDerWaalsContact O-CG1 3.32Å; F198-I202 WeakPolarHBondContact O-CG1 3.17Å; F198-I202 PolarHBondContact O-N 3.07Å
199	F	39.3	Very low	55.2	Low	158 Å²	158	84.7 Å²	84.7	69%	0.693	41%	0.412	S	S	*	.	H	α-helix	trans	-70.1	-35.9	170.5	-59	-68	0	0	0	113.4	S197 I202 S203	S197-F199 PolarHBondContact O-N 2.74Å; S197-F199 VanDerWaalsContact O-N 3.07Å; F199-I202 HydrophobicContact CD1-CD1 4.43Å; F199-I202 PolarHBondContact O-N 3.02Å; F199-S203 PolarHBondContact O-N 2.59Å; F199-S203 PolarHBondContact O-OG 2.69Å
200	S	42.1	Very low	53.2	Low	43 Å²	43	89.2 Å²	89.2	30%	0.301	44%	0.435	S	S	.	.	H	α-helix	trans	-66.8	-38.2	170.2	-172.1	0	0	0	0	111.3	S197 S203 I204	S197-S200 WeakPolarHBondContact O-CA 3.41Å; S197-S200 WeakPolarHBondContact O-CB 3.48Å; S197-S200 PolarHBondContact O-N 3.1Å; S197-S200 WeakPolarHBondContact OG-CB 3.31Å; S197-S200 PolarHBondContact OG-N 2.93Å; S197-S200 VanDerWaalsContact OG-N 3.08Å; S200-S203 PolarHBondContact O-N 3.04Å; S200-I204 VanDerWaalsContact O-CB 3.3Å; S200-I204 WeakPolarHBondContact O-CB 3.21Å; S200-I204 VanDerWaalsContact O-CG1 3.24Å; S200-I204 WeakPolarHBondContact O-CG1 3.36Å; S200-I204 PolarHBondContact O-N 3.01Å
201	F	39.1	Very low	51.3	Low	120 Å²	120	96.3 Å²	96.3	53%	0.526	46%	0.463	S	S	.	.	H	α-helix	trans	-59.8	-43.8	167.8	-85.3	-79.9	0	0	0	112.1	V196 S197 F198 I204 Y205	V196-F201 HydrophobicContact CB-CD2 4.44Å; V196-F201 HydrophobicContact CB-CE2 3.9Å; V196-F201 HydrophobicContact CG1-CD2 3.96Å; V196-F201 HydrophobicContact CG1-CE2 3.79Å; V196-F201 HydrophobicContact CG1-CZ 4.49Å; S197-F201 PolarHBondContact O-N 3.24Å; F198-F201 WeakPolarHBondContact O-CB 3.49Å; F198-F201 PolarHBondContact O-N 3.26Å; F201-I204 PolarHBondContact O-N 3.32Å; F201-Y205 WeakPolarHBondContact O-CB 3.41Å; F201-Y205 PolarHBondContact O-N 3.17Å
202	I	40.7	Very low	49.4	Very low	94 Å²	94	98.3 Å²	98.3	48%	0.482	48%	0.476	S	S	.	.	H	α-helix	trans	-63.8	-42.4	175.7	-70.9	163.3	0	0	0	111.2	F198 F199 L206	F198-I202 VanDerWaalsContact O-CG1 3.32Å; F198-I202 WeakPolarHBondContact O-CG1 3.17Å; F198-I202 PolarHBondContact O-N 3.07Å; F199-I202 HydrophobicContact CD1-CD1 4.43Å; F199-I202 PolarHBondContact O-N 3.02Å; I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.36Å; I202-L206 WeakPolarHBondContact O-CB 3.35Å; I202-L206 WeakPolarHBondContact O-CG 3.32Å; I202-L206 PolarHBondContact O-N 3.25Å
203	S	44.7	Very low	47.6	Very low	79 Å²	79	101.8 Å²	101.8	55%	0.552	50%	0.495	S	S	*	.	H	α-helix	trans	-67.3	-42.4	176.5	-66.9	0	0	0	0	113	F199 S200 L206 Y207	F199-S203 PolarHBondContact O-N 2.59Å; F199-S203 PolarHBondContact O-OG 2.69Å; S200-S203 PolarHBondContact O-N 3.04Å; S203-L206 PolarHBondContact O-N 3.08Å; S203-Y207 VanDerWaalsContact O-CB 3.27Å; S203-Y207 WeakPolarHBondContact O-CB 3.32Å; S203-Y207 PolarHBondContact O-N 3.14Å
204	I	47.1	Very low	46.1	Very low	86 Å²	86	105.5 Å²	105.5	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-68.7	-41.8	177.2	-69	166.4	0	0	0	110.2	S200 F201 Y207 I208	S200-I204 VanDerWaalsContact O-CB 3.3Å; S200-I204 WeakPolarHBondContact O-CB 3.21Å; S200-I204 VanDerWaalsContact O-CG1 3.24Å; S200-I204 WeakPolarHBondContact O-CG1 3.36Å; S200-I204 PolarHBondContact O-N 3.01Å; F201-I204 PolarHBondContact O-N 3.32Å; I204-Y207 PolarHBondContact O-N 3.18Å; I204-I208 HydrophobicContact CG2-CD1 3.7Å; I204-I208 HydrophobicContact CG2-CG1 4.37Å; I204-I208 WeakPolarHBondContact O-CB 3.34Å; I204-I208 VanDerWaalsContact O-CG1 3.28Å; I204-I208 WeakPolarHBondContact O-CG1 3.49Å; I204-I208 PolarHBondContact O-N 2.97Å
205	Y	44.2	Very low	45	Very low	178 Å²	178	103.4 Å²	103.4	70%	0.698	51%	0.51	S	S	*	.	H	α-helix	trans	-71	-32.1	176.8	-157.3	-84.6	0	0	0	111.7	F201 S209	F201-Y205 WeakPolarHBondContact O-CB 3.41Å; F201-Y205 PolarHBondContact O-N 3.17Å; Y205-S209 WeakPolarHBondContact O-CA 3.08Å; Y205-S209 WeakPolarHBondContact O-CB 3.44Å; Y205-S209 PolarHBondContact O-N 2.86Å
206	L	50	Low	44.4	Very low	99 Å²	99	103.8 Å²	103.8	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-67.9	-39.6	168	-80.2	168.3	0	0	0	111.7	I202 S203 S209 M210	I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.36Å; I202-L206 WeakPolarHBondContact O-CB 3.35Å; I202-L206 WeakPolarHBondContact O-CG 3.32Å; I202-L206 PolarHBondContact O-N 3.25Å; S203-L206 PolarHBondContact O-N 3.08Å; L206-S209 PolarHBondContact O-N 3.03Å; L206-M210 WeakPolarHBondContact O-CB 3.2Å; L206-M210 VanDerWaalsContact O-CG 3.23Å; L206-M210 WeakPolarHBondContact O-CG 3.49Å; L206-M210 PolarHBondContact O-N 3.46Å
207	Y	49.4	Very low	44.2	Very low	154 Å²	154	106.1 Å²	106.1	60%	0.604	53%	0.525	S	S	*	.	H	α-helix	trans	-68.3	-44	178.4	-163.9	-95.7	0	0	0	111.5	S203 I204 M210 Y211	S203-Y207 VanDerWaalsContact O-CB 3.27Å; S203-Y207 WeakPolarHBondContact O-CB 3.32Å; S203-Y207 PolarHBondContact O-N 3.14Å; I204-Y207 PolarHBondContact O-N 3.18Å; Y207-M210 PolarHBondContact O-N 3.47Å; Y207-Y211 AromaticContact CD1-CD2 3.99Å; Y207-Y211 HydrophobicContact CD1-CD2 3.99Å; Y207-Y211 HydrophobicContact CD1-CE2 4.35Å; Y207-Y211 AromaticContact CE1-CD2 3.66Å; Y207-Y211 HydrophobicContact CE1-CD2 3.66Å; Y207-Y211 AromaticContact CE1-CE2 3.56Å; Y207-Y211 HydrophobicContact CE1-CE2 3.56Å; Y207-Y211 AromaticContact CZ-CE2 3.73Å; Y207-Y211 WeakPolarHBondContact O-CB 3.27Å; Y207-Y211 PolarHBondContact O-N 3.06Å
208	I	54.1	Low	44.1	Very low	92 Å²	92	108 Å²	108	47%	0.472	54%	0.538	S	S	.	.	H	α-helix	trans	-67.5	-37.4	172.2	-66.4	171.3	0	0	0	110.7	I204 Y211 T212	I204-I208 HydrophobicContact CG2-CD1 3.7Å; I204-I208 HydrophobicContact CG2-CG1 4.37Å; I204-I208 WeakPolarHBondContact O-CB 3.34Å; I204-I208 VanDerWaalsContact O-CG1 3.28Å; I204-I208 WeakPolarHBondContact O-CG1 3.49Å; I204-I208 PolarHBondContact O-N 2.97Å; I208-Y211 PolarHBondContact O-N 2.86Å; I208-T212 HydrophobicContact CG2-CG2 4.3Å; I208-T212 WeakPolarHBondContact O-CB 3.3Å; I208-T212 WeakPolarHBondContact O-CG2 3.31Å; I208-T212 PolarHBondContact O-N 2.66Å; I208-T212 PolarHBondContact O-OG1 2.95Å
209	S	51.1	Low	43.8	Very low	44 Å²	44	108.1 Å²	108.1	31%	0.308	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-38.8	173.6	-178.7	0	0	0	0	111.6	Y205 L206 T212 L213	Y205-S209 WeakPolarHBondContact O-CA 3.08Å; Y205-S209 WeakPolarHBondContact O-CB 3.44Å; Y205-S209 PolarHBondContact O-N 2.86Å; L206-S209 PolarHBondContact O-N 3.03Å; S209-T212 WeakPolarHBondContact CA-OG1 3.46Å; S209-T212 PolarHBondContact O-OG1 2.99Å; S209-L213 WeakPolarHBondContact O-CB 3.18Å; S209-L213 PolarHBondContact O-N 3.2Å
210	M	51.5	Low	43.4	Very low	95 Å²	95	106.1 Å²	106.1	47%	0.468	54%	0.539	S	S	.	.	H	α-helix	trans	-69.4	-44.7	174.7	-74	-70.7	100.7	0	0	110.9	L206 Y207 T212 L213 L214	L206-M210 WeakPolarHBondContact O-CB 3.2Å; L206-M210 VanDerWaalsContact O-CG 3.23Å; L206-M210 WeakPolarHBondContact O-CG 3.49Å; L206-M210 PolarHBondContact O-N 3.46Å; Y207-M210 PolarHBondContact O-N 3.47Å; M210-T212 PolarHBondContact O-N 3.16Å; M210-L213 HydrophobicContact CE-CD2 3.79Å; M210-L213 PolarHBondContact O-N 3.16Å; M210-L214 WeakPolarHBondContact O-CB 3.46Å; M210-L214 WeakPolarHBondContact O-CD1 3.3Å; M210-L214 PolarHBondContact O-N 3.3Å
211	Y	47.2	Very low	42.9	Very low	150 Å²	150	109.9 Å²	109.9	59%	0.588	56%	0.561	S	S	*	*	H	α-helix	trans	-61.6	-43.2	175.7	-107.2	-85.1	0	0	0	112.8	Y207 I208 S215	Y207-Y211 AromaticContact CD1-CD2 3.99Å; Y207-Y211 HydrophobicContact CD1-CD2 3.99Å; Y207-Y211 HydrophobicContact CD1-CE2 4.35Å; Y207-Y211 AromaticContact CE1-CD2 3.66Å; Y207-Y211 HydrophobicContact CE1-CD2 3.66Å; Y207-Y211 AromaticContact CE1-CE2 3.56Å; Y207-Y211 HydrophobicContact CE1-CE2 3.56Å; Y207-Y211 AromaticContact CZ-CE2 3.73Å; Y207-Y211 WeakPolarHBondContact O-CB 3.27Å; Y207-Y211 PolarHBondContact O-N 3.06Å; I208-Y211 PolarHBondContact O-N 2.86Å; Y211-S215 WeakPolarHBondContact O-CB 3.39Å; Y211-S215 PolarHBondContact O-N 3.47Å
212	T	51.1	Low	42.6	Very low	60 Å²	60	110.6 Å²	110.6	37%	0.368	58%	0.577	S	S	.	*	H	α-helix	trans	-68.1	-43.3	175.9	49.7	0	0	0	0	111.2	I208 S209 M210 L214 S215 F216	I208-T212 HydrophobicContact CG2-CG2 4.3Å; I208-T212 WeakPolarHBondContact O-CB 3.3Å; I208-T212 WeakPolarHBondContact O-CG2 3.31Å; I208-T212 PolarHBondContact O-N 2.66Å; I208-T212 PolarHBondContact O-OG1 2.95Å; S209-T212 WeakPolarHBondContact CA-OG1 3.46Å; S209-T212 PolarHBondContact O-OG1 2.99Å; M210-T212 PolarHBondContact O-N 3.16Å; T212-L214 PolarHBondContact O-N 3.36Å; T212-S215 WeakPolarHBondContact CA-OG 3.42Å; T212-S215 CarbonylContact O-C 3.43Å; T212-S215 PolarHBondContact O-N 3.4Å; T212-S215 VanDerWaalsContact O-N 3.09Å; T212-S215 PolarHBondContact O-OG 3.4Å; T212-F216 WeakPolarHBondContact O-CD2 3.49Å; T212-F216 PolarHBondContact O-N 2.86Å
213	L	42.6	Very low	41.8	Very low	87 Å²	87	111.1 Å²	111.1	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-62.7	-39.9	177.1	-163.5	73.3	0	0	0	112.3	S209 M210 F216 L217	S209-L213 WeakPolarHBondContact O-CB 3.18Å; S209-L213 PolarHBondContact O-N 3.2Å; M210-L213 HydrophobicContact CE-CD2 3.79Å; M210-L213 PolarHBondContact O-N 3.16Å; L213-F216 PolarHBondContact O-N 3.43Å; L213-L217 HydrophobicContact CG-CD1 4.41Å; L213-L217 PolarHBondContact O-N 2.85Å; L213-L217 VanDerWaalsContact O-N 3.11Å
214	L	41.7	Very low	40.9	Very low	111 Å²	111	113 Å²	113	58%	0.581	60%	0.601	S	S	*	*	H	α-helix	trans	-62.6	-41.6	170.5	-96.9	67.5	0	0	0	111.7	M210 T212 F216 L217 S218	M210-L214 WeakPolarHBondContact O-CB 3.46Å; M210-L214 WeakPolarHBondContact O-CD1 3.3Å; M210-L214 PolarHBondContact O-N 3.3Å; T212-L214 PolarHBondContact O-N 3.36Å; L214-F216 VanDerWaalsContact C-N 3.33Å; L214-F216 PolarHBondContact O-N 3.22Å; L214-L217 PolarHBondContact O-N 3.32Å; L214-S218 PolarHBondContact O-OG 3.04Å; L214-S218 VanDerWaalsContact O-OG 3.14Å
215	S	39.5	Very low	40	Very low	65 Å²	65	115.7 Å²	115.7	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-65.6	-33.9	177.1	78.3	0	0	0	0	112.9	Y211 T212	Y211-S215 WeakPolarHBondContact O-CB 3.39Å; Y211-S215 PolarHBondContact O-N 3.47Å; T212-S215 WeakPolarHBondContact CA-OG 3.42Å; T212-S215 CarbonylContact O-C 3.43Å; T212-S215 PolarHBondContact O-N 3.4Å; T212-S215 VanDerWaalsContact O-N 3.09Å; T212-S215 PolarHBondContact O-OG 3.4Å
216	F	38.6	Very low	39.3	Very low	150 Å²	150	112.7 Å²	112.7	66%	0.658	62%	0.621	S	S	*	*	H	α-helix	trans	-74.8	-28.4	176.7	-82.6	-65	0	0	0	113.5	T212 L213 L214 S218	T212-F216 WeakPolarHBondContact O-CD2 3.49Å; T212-F216 PolarHBondContact O-N 2.86Å; L213-F216 PolarHBondContact O-N 3.43Å; L214-F216 VanDerWaalsContact C-N 3.33Å; L214-F216 PolarHBondContact O-N 3.22Å; F216-S218 VanDerWaalsContact C-N 3.29Å; F216-S218 PolarHBondContact O-N 3.05Å
217	L	38.5	Very low	38.4	Very low	129 Å²	129	114.8 Å²	114.8	68%	0.675	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-4.8	179.4	-79.1	165	0	0	0	114.4	L213 L214 F219	L213-L217 HydrophobicContact CG-CD1 4.41Å; L213-L217 PolarHBondContact O-N 2.85Å; L213-L217 VanDerWaalsContact O-N 3.11Å; L214-L217 PolarHBondContact O-N 3.32Å; L217-F219 VanDerWaalsContact C-N 3.34Å; L217-F219 PolarHBondContact O-N 3.19Å
218	S	35.4	Very low	37.3	Very low	98 Å²	98	110.8 Å²	110.8	69%	0.685	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	5.9	-179.5	-57.4	0	0	0	0	114.3	L214 F216 V220	L214-S218 PolarHBondContact O-OG 3.04Å; L214-S218 VanDerWaalsContact O-OG 3.14Å; F216-S218 VanDerWaalsContact C-N 3.29Å; F216-S218 PolarHBondContact O-N 3.05Å; S218-V220 VanDerWaalsContact C-N 3.25Å; S218-V220 PolarHBondContact O-N 2.73Å
219	F	31.3	Very low	36.1	Very low	178 Å²	178	111.9 Å²	111.9	78%	0.781	63%	0.633	S	S	*	*			trans	-83	51.8	178.4	-80.9	-81.2	0	0	0	113.7	L217	L217-F219 VanDerWaalsContact C-N 3.34Å; L217-F219 PolarHBondContact O-N 3.19Å
220	V	32.6	Very low	35.2	Very low	116 Å²	116	116.5 Å²	116.5	70%	0.703	65%	0.65	S	S	*	*	S	Bend	trans	-127.9	87.3	175.2	-174.1	0	0	0	0	111.5	S218	S218-V220 VanDerWaalsContact C-N 3.25Å; S218-V220 PolarHBondContact O-N 2.73Å
221	T	30.5	Very low	34.2	Very low	123 Å²	123	117.5 Å²	117.5	76%	0.755	66%	0.657	S	S	*	*			trans	55.5	132.2	158.4	54.5	0	0	0	0	120.2	S223	T221-S223 PolarHBondContact O-N 2.99Å
222	P	32.3	Very low	33.4	Very low	135 Å²	135	114.7 Å²	114.7	88%	0.877	65%	0.651	S	S	*	*			trans	-94.8	103.2	-169	36	-33.9	0	0	0	114.7
223	S	25.4	Very low	32.3	Very low	104 Å²	104	116.3 Å²	116.3	73%	0.727	66%	0.658	S	S	*	*			trans	-157	150.3	152.6	55.3	0	0	0	0	111.4	T221	T221-S223 PolarHBondContact O-N 2.99Å
224	C	25.8	Very low	31.6	Very low	120 Å²	120	118 Å²	118	81%	0.811	66%	0.663	S	S	*	*	S	Bend	trans	60.8	61.1	166.4	-53.7	0	0	0	0	118.1
225	L	27.8	Very low	31	Very low	141 Å²	141	118.2 Å²	118.2	74%	0.738	66%	0.664	S	S	*	*			trans	-145.4	51.8	158.8	-147.7	66.9	0	0	0	115.1	N227 C228	L225-N227 VanDerWaalsContact C-N 3.25Å; L225-N227 PolarHBondContact O-N 2.92Å; L225-C228 VanDerWaalsContact CD2-SG 3.56Å
226	S	28.6	Very low	30.3	Very low	115 Å²	115	123.3 Å²	123.3	80%	0.804	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	74.1	166.9	55.6	0	0	0	0	111.1
227	N	30.8	Very low	29.7	Very low	143 Å²	143	119.9 Å²	119.9	77%	0.765	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-167.1	28.1	162.4	-111.7	13.2	0	0	0	114.7	L225	L225-N227 VanDerWaalsContact C-N 3.25Å; L225-N227 PolarHBondContact O-N 2.92Å
228	C	26.3	Very low	29.1	Very low	71 Å²	71	120.9 Å²	120.9	48%	0.48	67%	0.673	S	S	.	*			trans	-96.6	-9	-177.7	-63.8	0	0	0	0	115.3	L225	L225-C228 VanDerWaalsContact CD2-SG 3.56Å
229	D	29.7	Very low	28.8	Very low	115 Å²	115	123.4 Å²	123.4	62%	0.615	68%	0.677	S	S	*	*	H	α-helix	trans	-78.5	-16.8	-171.7	-73	-60.1	0	0	0	115.1	I232 N233	D229-I232 PolarHBondContact O-N 2.71Å; D229-N233 PolarHBondContact O-N 2.83Å; D229-N233 PolarHBondContact O-ND2 3.08Å
230	E	31.3	Very low	28.4	Very low	141 Å²	141	118.8 Å²	118.8	66%	0.659	67%	0.667	S	S	*	*	H	α-helix	trans	-68.2	-42.6	-176.9	-63.2	-156.8	131.6	0	0	112.7	I232 N233 Q234	E230-I232 VanDerWaalsContact C-N 3.29Å; E230-I232 PolarHBondContact O-N 3.43Å; E230-N233 PolarHBondContact O-N 3.06Å; E230-Q234 PolarHBondContact O-N 2.79Å; E230-Q234 VanDerWaalsContact O-N 3.17Å
231	N	30.4	Very low	28	Very low	115 Å²	115	123.6 Å²	123.6	62%	0.615	67%	0.672	S	S	*	*	H	α-helix	trans	-66.5	-28.7	-179.7	-74.8	-19.6	0	0	0	113.1	I235	N231-I235 PolarHBondContact O-N 3.23Å
232	I	31	Very low	27.7	Very low	91 Å²	91	123.4 Å²	123.4	47%	0.467	67%	0.674	S	S	.	*	H	α-helix	trans	-73.1	-35.6	177.3	-65.1	176.8	0	0	0	110.7	D229 E230 I235 R236	D229-I232 PolarHBondContact O-N 2.71Å; E230-I232 VanDerWaalsContact C-N 3.29Å; E230-I232 PolarHBondContact O-N 3.43Å; I232-I235 PolarHBondContact O-N 3.06Å; I232-R236 PolarHBondContact O-N 3.29Å
233	N	28.5	Very low	27.3	Very low	95 Å²	95	124 Å²	124	51%	0.508	67%	0.669	S	S	.	*	H	α-helix	trans	-73.5	-34.4	179	-72.4	-54.9	0	0	0	112.5	D229 E230 I235 R236 S237	D229-N233 PolarHBondContact O-N 2.83Å; D229-N233 PolarHBondContact O-ND2 3.08Å; E230-N233 PolarHBondContact O-N 3.06Å; N233-I235 VanDerWaalsContact C-N 3.3Å; N233-I235 PolarHBondContact O-N 3.4Å; N233-R236 PolarHBondContact O-N 3.46Å; N233-S237 PolarHBondContact O-N 3.32Å; N233-S237 PolarHBondContact O-OG 3.14Å
234	Q	28.5	Very low	27.4	Very low	122 Å²	122	124.5 Å²	124.5	57%	0.57	67%	0.673	S	S	*	*	H	α-helix	trans	-63	-32.6	172.7	-67.9	-173.8	15.7	0	0	113.2	E230 S237 L238	E230-Q234 PolarHBondContact O-N 2.79Å; E230-Q234 VanDerWaalsContact O-N 3.17Å; Q234-S237 PolarHBondContact O-OG 3.3Å; Q234-L238 WeakPolarHBondContact O-CG 3.22Å
235	I	28.1	Very low	27.3	Very low	115 Å²	115	126.9 Å²	126.9	59%	0.59	68%	0.677	S	S	*	*	H	α-helix	trans	-77.2	-32.2	177	-65.3	172.8	0	0	0	111.5	N231 I232 N233	N231-I235 PolarHBondContact O-N 3.23Å; I232-I235 PolarHBondContact O-N 3.06Å; N233-I235 VanDerWaalsContact C-N 3.3Å; N233-I235 PolarHBondContact O-N 3.4Å
236	R	25.1	Very low	27	Very low	173 Å²	173	127 Å²	127	65%	0.653	68%	0.678	S	S	*	*	H	α-helix	trans	-75.6	-30.9	176.8	-77.9	-176.3	172	166.3	0	114	I232 N233 S240	I232-R236 PolarHBondContact O-N 3.29Å; N233-R236 PolarHBondContact O-N 3.46Å; R236-S240 PolarHBondContact O-N 2.84Å; R236-S240 PolarHBondContact O-OG 2.92Å
237	S	26.9	Very low	26.7	Very low	78 Å²	78	129.7 Å²	129.7	55%	0.545	68%	0.677	S	S	.	*	H	α-helix	trans	-69.2	-31.8	176.3	59.6	0	0	0	0	112.7	N233 Q234 I239 S240	N233-S237 PolarHBondContact O-N 3.32Å; N233-S237 PolarHBondContact O-OG 3.14Å; Q234-S237 PolarHBondContact O-OG 3.3Å; S237-I239 PolarHBondContact O-N 3.09Å; S237-S240 PolarHBondContact O-N 2.92Å
238	L	25.8	Very low	26.4	Very low	150 Å²	150	127.5 Å²	127.5	79%	0.785	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-14.4	178.9	-72.6	170.7	0	0	0	115	Q234	Q234-L238 WeakPolarHBondContact O-CG 3.22Å
239	I	27.1	Very low	26.1	Very low	151 Å²	151	131.7 Å²	131.7	77%	0.774	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-3.1	-178.2	-61	179.9	0	0	0	111.9	S237	S237-I239 PolarHBondContact O-N 3.09Å
240	S	24	Very low	25.8	Very low	81 Å²	81	134.9 Å²	134.9	57%	0.566	70%	0.702	S	S	*	*	S	Bend	trans	-116	109.7	179.6	-50.9	0	0	0	0	110.2	R236 S237	R236-S240 PolarHBondContact O-N 2.84Å; R236-S240 PolarHBondContact O-OG 2.92Å; S237-S240 PolarHBondContact O-N 2.92Å
241	R	24	Very low	25.3	Very low	216 Å²	216	135.3 Å²	135.3	82%	0.815	71%	0.707	S	S	*	*			trans	-55.8	141.1	-178.7	-88.2	-175.6	171.2	176.3	-3.1	112.1	N243	R241-N243 PolarHBondContact O-N 3.14Å
242	P	25	Very low	24.8	Very low	120 Å²	120	136.4 Å²	136.4	78%	0.779	71%	0.711	S	S	*	*			trans	-68.1	127.8	178.5	28.6	-34.5	0	0	0	111.1
243	N	23.9	Very low	24.3	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	72%	0.724	S	S	*	*			trans	-108.9	157.7	166	-83.9	-24	0	0	0	109.4	R241	R241-N243 PolarHBondContact O-N 3.14Å
244	S	27	Very low	23.9	Very low	116 Å²	116	140.1 Å²	140.1	81%	0.811	73%	0.732	S	S	*	*			trans	51.8	86.8	-177.4	56.1	0	0	0	0	115.1
245	L	23.3	Very low	23.5	Very low	170 Å²	170	140.8 Å²	140.8	89%	0.89	74%	0.74	S	S	*	*			trans	-70.1	116.6	136.4	-74.7	81.9	0	0	0	106.7
246	D	21.5	Very low	23.2	Very low	142 Å²	142	141.3 Å²	141.3	76%	0.759	74%	0.744	S	S	*	*			trans	-162.4	132.5	150.8	-111.7	-31.6	0	0	0	109.3
247	H	23.4	Very low	23.1	Very low	172 Å²	172	139.1 Å²	139.1	80%	0.796	75%	0.745	S	S	*	*			trans	60.7	132.9	-179.8	-62.8	-61.9	0	0	0	117.4
248	S	24	Very low	23	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	75%	0.751	S	S	*	*			cis	-159.9	164.4	-4.2	-93.9	0	0	0	0	110.3	H250	S248-H250 PolarHBondContact O-N 3.09Å
249	N	20.2	Very low	23	Very low	160 Å²	160	140 Å²	140	86%	0.856	75%	0.745	S	S	*	*			trans	-58.7	115.9	159.7	-75.4	-37.7	0	0	0	110.2
250	H	22.6	Very low	22.8	Very low	182 Å²	182	139.7 Å²	139.7	84%	0.843	75%	0.745	S	S	*	*				-165	135.6	127.4	-121.6	-81.3	0	0	0	113.8	S248	S248-H250 PolarHBondContact O-N 3.09Å
251	I	20.8	Very low	22.9	Very low	150 Å²	150	144 Å²	144	77%	0.769	76%	0.759	S	S	*	*			trans	-78.4	143.7	164.5	-53.1	159.4	0	0	0	107.9
252	I	20.5	Very low	22.8	Very low	137 Å²	137	138.3 Å²	138.3	70%	0.703	75%	0.752	S	S	*	*			trans	163.9	141.3	134.1	-86.7	159.9	0	0	0	112.9
253	N	20.6	Very low	22.7	Very low	135 Å²	135	139.3 Å²	139.3	72%	0.722	75%	0.752	S	S	*	*			trans	67.2	128.5	172.3	-66.8	-26.5	0	0	0	117.6
254	N	19.9	Very low	22.8	Very low	130 Å²	130	139.6 Å²	139.6	70%	0.695	75%	0.748	S	S	*	*			cis	80.9	134.1	38.7	-75.7	-22.7	0	0	0	115.5
255	N	20.1	Very low	22.5	Very low	136 Å²	136	140.8 Å²	140.8	73%	0.727	75%	0.745	S	S	*	*			trans	68	137.2	155.5	-58.2	-13.6	0	0	0	115.2
256	N	21.6	Very low	22.4	Very low	125 Å²	125	137.5 Å²	137.5	67%	0.668	74%	0.736	S	S	*	*			cis	-167.9	164.2	30.5	-132	-12.1	0	0	0	111.7
257	N	23.2	Very low	22.6	Very low	127 Å²	127	136.2 Å²	136.2	68%	0.679	74%	0.738	S	S	*	*			trans	67.8	154.7	149.1	-70.3	-28.8	0	0	0	120.8
258	N	23.5	Very low	22.5	Very low	126 Å²	126	137.3 Å²	137.3	67%	0.674	74%	0.741	S	S	*	*			cis	-170.3	176.8	-36.8	-134.5	-37.6	0	0	0	110.8
259	N	26.6	Very low	22.5	Very low	122 Å²	122	138.9 Å²	138.9	65%	0.652	75%	0.746	S	S	*	*			trans	61.9	101.8	154.1	-60.8	-10.1	0	0	0	119.2
260	N	23.3	Very low	22.5	Very low	144 Å²	144	136.6 Å²	136.6	77%	0.77	74%	0.743	S	S	*	*				174.4	123.9	90	-93	-28.9	0	0	0	113.2
261	I	25	Very low	22.3	Very low	171 Å²	171	135.1 Å²	135.1	88%	0.877	74%	0.74	S	S	*	*				-163.5	137.4	125.1	-100.1	157.5	0	0	0	106.6
262	S	22.5	Very low	22.3	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	74%	0.741	S	S	*	*			trans	-110.8	171.6	176.5	-60.8	0	0	0	0	110.6
263	D	23.9	Very low	22.3	Very low	142 Å²	142	133 Å²	133	76%	0.759	74%	0.74	S	S	*	*			trans	86.1	121.5	152.7	-82.8	28.1	0	0	0	120.6
264	Q	24.8	Very low	22.5	Very low	151 Å²	151	133.2 Å²	133.2	71%	0.706	75%	0.746	S	S	*	*			trans	89.5	96.9	152.6	-57	-57.6	-20.7	0	0	121.4
265	L	21.5	Very low	22.5	Very low	142 Å²	142	134.8 Å²	134.8	74%	0.743	75%	0.749	S	S	*	*				94.8	68.3	113.7	-151	71.1	0	0	0	120
266	S	20.7	Very low	22.7	Very low	101 Å²	101	136.5 Å²	136.5	71%	0.706	75%	0.752	S	S	*	*				32.5	117	126.6	64.8	0	0	0	0	120.5
267	S	25.2	Very low	22.7	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	76%	0.755	S	S	*	*			trans	-149.2	97.8	138	48.9	0	0	0	0	114.4
268	K	22.6	Very low	22.8	Very low	195 Å²	195	138.9 Å²	138.9	85%	0.848	76%	0.764	S	S	*	*			trans	60.2	149.4	147.1	-66.3	-177.9	176	177.6	0	122.4
269	T	22.5	Very low	22.6	Very low	130 Å²	130	139.8 Å²	139.8	80%	0.798	76%	0.764	S	S	*	*			trans	74.5	101.4	152.3	29.5	0	0	0	0	120.4
270	S	20.5	Very low	22.5	Very low	112 Å²	112	139 Å²	139	78%	0.783	77%	0.766	S	S	*	*			trans	76.7	76.9	130.7	-53.2	0	0	0	0	118.5
271	I	19.3	Very low	22.5	Very low	151 Å²	151	139.9 Å²	139.9	77%	0.774	77%	0.768	S	S	*	*			trans	-57.9	134.1	154.2	-61.8	159.1	0	0	0	109.8	T273	I271-T273 HydrophobicContact CG2-CG2 4.1Å
272	T	21.4	Very low	22.4	Very low	132 Å²	132	136 Å²	136	81%	0.81	76%	0.756	S	S	*	*			trans	-139.8	127	139.7	-60.3	0	0	0	0	107	V274	T272-V274 PolarHBondContact O-N 3Å
273	T	20.6	Very low	22.5	Very low	109 Å²	109	139.6 Å²	139.6	67%	0.669	77%	0.766	S	S	*	*			trans	-78.9	116.6	-171.7	46.1	0	0	0	0	111.1	I271	I271-T273 HydrophobicContact CG2-CG2 4.1Å
274	V	23.4	Very low	22.5	Very low	141 Å²	141	136.4 Å²	136.4	86%	0.855	76%	0.755	S	S	*	*			trans	-104.6	101.9	156.9	-176.4	0	0	0	0	107	T272	T272-V274 PolarHBondContact O-N 3Å
275	H	20.8	Very low	22.6	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.755	76%	0.76	S	S	*	*			trans	-78.5	125.6	156.5	-91.9	-101.3	0	0	0	107.1
276	E	23.1	Very low	22.9	Very low	171 Å²	171	134.9 Å²	134.9	80%	0.799	76%	0.759	S	S	*	*				173.5	132.5	120.8	-92.9	161.2	-166.1	0	0	111.5	I278	E276-I278 PolarHBondContact O-N 2.74Å
277	D	23.3	Very low	23.1	Very low	134 Å²	134	136.3 Å²	136.3	72%	0.717	76%	0.758	S	S	*	*			trans	44.7	64.1	146.6	-60.3	-8.7	0	0	0	120.7	Q279	D277-Q279 VanDerWaalsContact C-N 3.28Å; D277-Q279 PolarHBondContact O-N 3.46Å
278	I	23.6	Very low	23.3	Very low	169 Å²	169	137.1 Å²	137.1	87%	0.867	75%	0.753	S	S	*	*			trans	-85.1	78.8	142.2	-54.2	-178.3	0	0	0	108.3	E276 P280	E276-I278 PolarHBondContact O-N 2.74Å; I278-P280 WeakPolarHBondContact O-CD 3.48Å
279	Q	21	Very low	23.4	Very low	145 Å²	145	138.3 Å²	138.3	68%	0.678	75%	0.753	S	S	*	*			trans	-67.1	121.9	163.6	-74.2	-67.8	-21.5	0	0	108.5	D277 I281	D277-Q279 VanDerWaalsContact C-N 3.28Å; D277-Q279 PolarHBondContact O-N 3.46Å; Q279-I281 PolarHBondContact O-N 2.72Å
280	P	23.9	Very low	23.6	Very low	106 Å²	106	138.1 Å²	138.1	69%	0.688	75%	0.746	S	S	*	*			trans	-64.1	125.8	174.3	27.1	-32.8	0	0	0	108.8	I278 S282	I278-P280 WeakPolarHBondContact O-CD 3.48Å; P280-S282 PolarHBondContact O-N 3.37Å
281	I	23.1	Very low	24.2	Very low	161 Å²	161	139 Å²	139	83%	0.826	74%	0.738	S	S	*	*			trans	-58.2	104.9	-174.5	-62.5	172.5	0	0	0	109.4	Q279 I283	Q279-I281 PolarHBondContact O-N 2.72Å; I281-I283 PolarHBondContact O-N 2.99Å; I281-I283 VanDerWaalsContact O-N 3.07Å
282	S	23.1	Very low	25.1	Very low	89 Å²	89	137 Å²	137	62%	0.622	74%	0.735	S	S	*	*			trans	-69.9	104.8	178.7	-176.7	0	0	0	0	109.1	P280 S284	P280-S282 PolarHBondContact O-N 3.37Å; S282-S284 PolarHBondContact O-N 2.88Å; S282-S284 PolarHBondContact O-OG 3.43Å; S282-S284 PolarHBondContact OG-OG 3.11Å
283	I	23.9	Very low	26.6	Very low	173 Å²	173	134.3 Å²	134.3	89%	0.887	71%	0.712	S	S	*	*			trans	-71.5	77.8	173.8	-52.7	178.4	0	0	0	108	I281	I281-I283 PolarHBondContact O-N 2.99Å; I281-I283 VanDerWaalsContact O-N 3.07Å
284	S	24.9	Very low	28.4	Very low	75 Å²	75	131.7 Å²	131.7	52%	0.524	69%	0.693	S	S	.	*			trans	-123.6	126.3	-176.4	52	0	0	0	0	109.9	S282 A286	S282-S284 PolarHBondContact O-N 2.88Å; S282-S284 PolarHBondContact O-OG 3.43Å; S282-S284 PolarHBondContact OG-OG 3.11Å; S284-A286 PolarHBondContact O-N 3.44Å
285	Q	27.1	Very low	30.9	Very low	174 Å²	174	125.7 Å²	125.7	81%	0.813	66%	0.657	S	S	*	*			trans	65.2	24.6	161.1	-56	178.9	2.3	0	0	117.8	N287	Q285-N287 PolarHBondContact O-N 2.77Å
286	A	27.9	Very low	34.1	Very low	86 Å²	86	118 Å²	118	71%	0.711	62%	0.622	S	S	*	*			trans	-68.5	84.6	143.8	0	0	0	0	0	108.5	S284 I288	S284-A286 PolarHBondContact O-N 3.44Å; A286-I288 VanDerWaalsContact C-N 3.27Å; A286-I288 PolarHBondContact O-N 3.04Å
287	N	24.9	Very low	37	Very low	131 Å²	131	110.9 Å²	110.9	70%	0.701	59%	0.59	S	S	*	*			trans	-72	81	178.8	-78.6	-18.7	0	0	0	110.4	Q285 Y289	Q285-N287 PolarHBondContact O-N 2.77Å; N287-Y289 PolarHBondContact O-N 2.88Å
288	I	28.3	Very low	40.1	Very low	133 Å²	133	105.3 Å²	105.3	68%	0.682	56%	0.56	S	S	*	*			trans	-64	104	170	-52.4	176.3	0	0	0	107.7	A286 I290	A286-I288 VanDerWaalsContact C-N 3.27Å; A286-I288 PolarHBondContact O-N 3.04Å; I288-I290 HydrophobicContact CB-CG1 4.35Å; I288-I290 HydrophobicContact CG2-CG1 3.67Å; I288-I290 PolarHBondContact O-N 3.46Å
289	Y	25.7	Very low	42.7	Very low	220 Å²	220	101.1 Å²	101.1	86%	0.863	54%	0.535	S	S	*	.			trans	-68.7	83.5	163	-96.1	-88.8	0	0	0	108.4	N287 E291	N287-Y289 PolarHBondContact O-N 2.88Å; Y289-E291 PolarHBondContact O-N 3.09Å; Y289-E291 VanDerWaalsContact O-N 3.15Å
290	I	26.5	Very low	45.4	Very low	126 Å²	126	95.9 Å²	95.9	65%	0.646	51%	0.514	S	S	*	.			trans	-67.9	107.1	165.1	-55.5	176.7	0	0	0	105.8	I288	I288-I290 HydrophobicContact CB-CG1 4.35Å; I288-I290 HydrophobicContact CG2-CG1 3.67Å; I288-I290 PolarHBondContact O-N 3.46Å
291	E	32.1	Very low	47.6	Very low	129 Å²	129	94.1 Å²	94.1	60%	0.603	50%	0.498	S	S	*	.			trans	-56.1	129.3	175.5	-163.2	171.9	-158.1	0	0	108.2	Y289 K293 K349	Y289-E291 PolarHBondContact O-N 3.09Å; Y289-E291 VanDerWaalsContact O-N 3.15Å; E291-K293 PolarHBondContact O-N 2.86Å; E291-K349 IonicContact OE1-NZ 3.78Å; E291-K349 PolarHBondContact OE1-NZ 2.97Å
292	P	39	Very low	49.2	Very low	111 Å²	111	91 Å²	91	72%	0.721	49%	0.488	S	S	*	.			trans	-69.7	96.7	-163.8	25.5	-34.9	0	0	0	111.2	I294	P292-I294 PolarHBondContact O-N 3.42Å; P292-I294 VanDerWaalsContact O-N 3.07Å
293	K	52.5	Low	51	Low	75 Å²	75	92.9 Å²	92.9	33%	0.326	49%	0.49	S	S	.	.			trans	-35.2	111.3	-176.5	-168.2	167.1	-163.8	135.1	0	112.1	E291 S295 E1250 F1253	E291-K293 PolarHBondContact O-N 2.86Å; K293-S295 PolarHBondContact O-N 2.66Å; K293-S295 PolarHBondContact O-OG 3.35Å; K293-E1250 IonicContact NZ-OE1 3.71Å; K293-E1250 PolarHBondContact NZ-OE1 3.2Å; K293-E1250 IonicContact NZ-OE2 2.74Å; K293-E1250 PolarHBondContact NZ-OE2 3.45Å; K293-F1253 HydrophobicContact CG-CE1 4.17Å; K293-F1253 HydrophobicContact CG-CE2 3.89Å; K293-F1253 HydrophobicContact CG-CZ 3.65Å
294	I	57.8	Low	52.5	Low	53 Å²	53	89 Å²	89	27%	0.272	47%	0.471	S	S	.	.			trans	-53.6	109.7	-163.8	-56.1	178.3	0	0	0	109.9	P292 F296 E353 L354 F1253	P292-I294 PolarHBondContact O-N 3.42Å; P292-I294 VanDerWaalsContact O-N 3.07Å; I294-F296 VanDerWaalsContact C-N 3.27Å; I294-F296 WeakPolarHBondContact CG2-O 3.48Å; I294-F296 PolarHBondContact O-N 2.9Å; I294-E353 WeakPolarHBondContact CD1-OE1 3.35Å; I294-L354 HydrophobicContact CG2-CD2 3.82Å; I294-F1253 HydrophobicContact CB-CZ 4.31Å
295	S	76.8	Confident	54.3	Low	15 Å²	15	86.7 Å²	86.7	11%	0.105	45%	0.454	C	S	.	.			trans	-84.2	-4.2	-172	-47.9	0	0	0	0	112.9	N42 K191 L192 K293	N42-S295 PolarHBondContact N-OG 3.44Å; N42-S295 WeakPolarHBondContact OD1-CB 3.27Å; N42-S295 PolarHBondContact OD1-OG 3.47Å; K191-S295 WeakPolarHBondContact CA-O 3.46Å; L192-S295 PolarHBondContact N-O 3.46Å; K293-S295 PolarHBondContact O-N 2.66Å; K293-S295 PolarHBondContact O-OG 3.35Å
296	F	87.4	Confident	56.2	Low	3 Å²	3	82.9 Å²	82.9	1%	0.013	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.1	-171.7	-78.9	-94.4	0	0	0	111.5	W40 A44 F99 I189 I190 K191 I294 L354	W40-F296 HydrophobicContact CE3-CB 3.99Å; W40-F296 AromaticContact CE3-CD1 4Å; W40-F296 HydrophobicContact CE3-CD1 4Å; W40-F296 AromaticContact CE3-CD2 3.81Å; W40-F296 HydrophobicContact CE3-CD2 3.81Å; W40-F296 HydrophobicContact CE3-CE1 4.42Å; W40-F296 HydrophobicContact CE3-CE2 4.29Å; W40-F296 AromaticContact CE3-CG 3.66Å; W40-F296 HydrophobicContact CE3-CG 3.66Å; W40-F296 HydrophobicContact CZ3-CB 3.99Å; W40-F296 AromaticContact CZ3-CD1 3.92Å; W40-F296 HydrophobicContact CZ3-CD1 3.92Å; W40-F296 HydrophobicContact CZ3-CD2 4.49Å; W40-F296 AromaticContact CZ3-CG 3.89Å; W40-F296 HydrophobicContact CZ3-CG 3.89Å; W40-F296 WeakPolarHBondContact O-CD2 3.49Å; W40-F296 VanDerWaalsContact O-CE2 3.29Å; W40-F296 WeakPolarHBondContact O-CE2 3.27Å; A44-F296 HydrophobicContact CB-CE2 4.1Å; A44-F296 HydrophobicContact CB-CZ 3.79Å; F99-F296 HydrophobicContact CB-CD1 4.48Å; F99-F296 HydrophobicContact CB-CE1 3.82Å; F99-F296 HydrophobicContact CD1-CE1 4.18Å; F99-F296 AromaticContact CD2-CE1 3.74Å; F99-F296 HydrophobicContact CD2-CE1 3.74Å; F99-F296 HydrophobicContact CD2-CZ 4.22Å; F99-F296 HydrophobicContact CE2-CE1 4.3Å; F99-F296 HydrophobicContact CE2-CZ 4.33Å; F99-F296 AromaticContact CG-CE1 3.66Å; F99-F296 HydrophobicContact CG-CE1 3.66Å; F99-F296 HydrophobicContact CG-CZ 4.3Å; F99-F296 HydrophobicContact CZ-CZ 4.49Å; I189-F296 HydrophobicContact CG2-CD1 3.86Å; I189-F296 HydrophobicContact CG2-CE1 4.4Å; I190-F296 CarbonylContact O-C 3.6Å; I190-F296 VanDerWaalsContact O-CA 3.29Å; I190-F296 WeakPolarHBondContact O-CA 3.19Å; K191-F296 HydrophobicContact CB-CD1 4.05Å; K191-F296 HydrophobicContact CB-CE1 3.67Å; K191-F296 HydrophobicContact CB-CE2 4.4Å; K191-F296 HydrophobicContact CB-CZ 3.85Å; K191-F296 HydrophobicContact CD-CE2 4.45Å; K191-F296 HydrophobicContact CD-CZ 4.07Å; K191-F296 HydrophobicContact CG-CE1 4.31Å; K191-F296 HydrophobicContact CG-CE2 4.18Å; K191-F296 HydrophobicContact CG-CZ 3.98Å; I294-F296 VanDerWaalsContact C-N 3.27Å; I294-F296 WeakPolarHBondContact CG2-O 3.48Å; I294-F296 PolarHBondContact O-N 2.9Å; F296-L354 HydrophobicContact CB-CD2 4.1Å; F296-L354 WeakPolarHBondContact O-CD2 3.34Å
297	V	84.7	Confident	58.5	Low	20 Å²	20	82.8 Å²	82.8	12%	0.121	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.4	177.8	179.8	0	0	0	0	108.3	I190 L192 I1256	I190-V297 PolarHBondContact N-O 2.74Å; I190-V297 PolarHBondContact O-N 2.99Å; L192-V297 HydrophobicContact CD1-CG2 3.74Å; L192-V297 HydrophobicContact CD2-CG2 4.39Å; L192-V297 HydrophobicContact CG-CG2 4Å; V297-I1256 HydrophobicContact CB-CG2 4.43Å; V297-I1256 HydrophobicContact CG1-CG2 4.11Å; V297-I1256 HydrophobicContact CG2-CG2 3.7Å
298	I	87	Confident	61.5	Low	18 Å²	18	77.8 Å²	77.8	9%	0.092	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.5	173.8	-55.8	-170	0	0	0	108.9	V184 W188 I189 L354 F355 V358	V184-I298 HydrophobicContact CG1-CG2 4.3Å; W188-I298 HydrophobicContact CB-CG2 4.3Å; W188-I298 CarbonylContact O-C 3.57Å; W188-I298 WeakPolarHBondContact O-CA 3.26Å; I189-I298 HydrophobicContact CD1-CD1 4.41Å; I189-I298 HydrophobicContact CG1-CD1 4.16Å; I189-I298 HydrophobicContact CG1-CG1 4.22Å; I298-L354 WeakPolarHBondContact CD1-O 3.21Å; I298-L354 WeakPolarHBondContact CG1-O 3.42Å; I298-F355 HydrophobicContact CD1-CB 4.47Å; I298-F355 HydrophobicContact CD1-CD1 3.57Å; I298-F355 HydrophobicContact CD1-CD2 3.59Å; I298-F355 HydrophobicContact CD1-CE1 3.53Å; I298-F355 HydrophobicContact CD1-CE2 3.56Å; I298-F355 HydrophobicContact CD1-CG 3.6Å; I298-F355 HydrophobicContact CD1-CZ 3.52Å; I298-V358 HydrophobicContact CG2-CG2 3.81Å
299	K	80.2	Confident	64.5	Low	80 Å²	80	74 Å²	74	35%	0.348	40%	0.398	S	S	.	.			trans	-106.7	119.5	170.6	176.7	172.8	175.3	174.8	0	109.7	R108 W188 I190	R108-K299 PolarHBondContact O-NZ 2.87Å; W188-K299 VanDerWaalsContact CA-O 3.22Å; W188-K299 WeakPolarHBondContact CA-O 3.36Å; W188-K299 WeakPolarHBondContact CB-O 3.48Å; W188-K299 VanDerWaalsContact CG-O 3.25Å; W188-K299 PolarHBondContact O-N 2.96Å; I190-K299 HydrophobicContact CD1-CB 3.87Å
300	T	77	Confident	67.8	Low	36 Å²	36	63.7 Å²	63.7	22%	0.221	36%	0.358	C	S	.	.			trans	-78.6	161.8	174.1	53.3	0	0	0	0	111.6	W188 V358	W188-T300 HydrophobicContact CE3-CG2 3.89Å; W188-T300 HydrophobicContact CZ3-CG2 3.85Å; T300-V358 HydrophobicContact CG2-CG2 4.45Å
301	N	70.2	Confident	71.1	Confident	68 Å²	68	57.7 Å²	57.7	36%	0.364	33%	0.327	S	S	.	.			trans	-114.4	105.7	173	178.2	23.2	0	0	0	109.8	W188 I303 N304	W188-N301 HydrophobicContact CZ2-CB 4.27Å; N301-I303 PolarHBondContact O-N 2.73Å; N301-N304 PolarHBondContact O-N 2.98Å
302	P	57	Low	74.3	Confident	96 Å²	96	51.6 Å²	51.6	62%	0.623	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-64.7	-17.1	-167	24.6	-34.8	0	0	0	114.9	N304 T305	P302-N304 PolarHBondContact O-N 2.74Å; P302-N304 VanDerWaalsContact O-N 3.14Å; P302-T305 WeakPolarHBondContact CA-OG1 3.49Å; P302-T305 PolarHBondContact O-N 3.04Å; P302-T305 PolarHBondContact O-OG1 3.48Å; P302-T305 VanDerWaalsContact O-OG1 3.09Å
303	I	59.3	Low	77.1	Confident	129 Å²	129	46.3 Å²	46.3	66%	0.662	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-60	-25.9	179.3	-62	161.8	0	0	0	112.2	N301	N301-I303 PolarHBondContact O-N 2.73Å
304	N	57	Low	79.2	Confident	91 Å²	91	42.7 Å²	42.7	49%	0.487	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-117.3	-0.5	-176.5	-68.4	61.4	0	0	0	113.8	N301 P302 A306 L308	N301-N304 PolarHBondContact O-N 2.98Å; P302-N304 PolarHBondContact O-N 2.74Å; P302-N304 VanDerWaalsContact O-N 3.14Å; N304-A306 PolarHBondContact O-N 3.04Å; N304-L308 HydrophobicContact CB-CD1 4.03Å; N304-L308 WeakPolarHBondContact O-CD1 3.27Å; N304-L308 VanDerWaalsContact O-CG 3.3Å; N304-L308 WeakPolarHBondContact O-CG 3.27Å
305	T	62.3	Low	81	Confident	27 Å²	27	40.2 Å²	40.2	17%	0.166	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.4	-163.4	41.2	0	0	0	0	115.8	W188 P302 S307 P359 N360	W188-T305 HydrophobicContact CH2-CG2 4.28Å; P302-T305 WeakPolarHBondContact CA-OG1 3.49Å; P302-T305 PolarHBondContact O-N 3.04Å; P302-T305 PolarHBondContact O-OG1 3.48Å; P302-T305 VanDerWaalsContact O-OG1 3.09Å; T305-S307 PolarHBondContact O-N 3.28Å; T305-P359 HydrophobicContact CG2-CG 3.48Å; T305-P359 VanDerWaalsContact CG2-CG 3.48Å; T305-N360 PolarHBondContact O-ND2 3.18Å
306	A	66.2	Low	81.8	Confident	94 Å²	94	41.1 Å²	41.1	78%	0.777	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-36.4	-173.5	0	0	0	0	0	114.3	N304 N360	N304-A306 PolarHBondContact O-N 3.04Å; A306-N360 PolarHBondContact O-ND2 2.9Å
307	S	76.8	Confident	81.7	Confident	84 Å²	84	42 Å²	42	59%	0.587	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-22.6	-174.5	57.6	0	0	0	0	115	T305	T305-S307 PolarHBondContact O-N 3.28Å
308	L	86.8	Confident	81.4	Confident	26 Å²	26	48.9 Å²	48.9	14%	0.136	27%	0.274	C	S	.	.			trans	-65.7	152.7	-179.5	-59.3	169.6	0	0	0	110.6	D181 W188 N304 P310 N360	D181-L308 HydrophobicContact CB-CD2 4.28Å; W188-L308 HydrophobicContact CH2-CD1 3.77Å; W188-L308 HydrophobicContact CZ2-CD1 4.22Å; N304-L308 HydrophobicContact CB-CD1 4.03Å; N304-L308 WeakPolarHBondContact O-CD1 3.27Å; N304-L308 VanDerWaalsContact O-CG 3.3Å; N304-L308 WeakPolarHBondContact O-CG 3.27Å; L308-P310 HydrophobicContact CB-CG 4.32Å; L308-N360 WeakPolarHBondContact O-CB 3.4Å; L308-N360 PolarHBondContact O-ND2 3.15Å
309	K	91.8	Very high	80.9	Confident	54 Å²	54	48.5 Å²	48.5	24%	0.235	27%	0.273	C	S	.	.			trans	-134.5	64.5	175	-65.3	173.8	-175.3	163.2	0	110.2	D181 L182 Y424	D181-K309 CarbonylContact O-C 3.56Å; D181-K309 PolarHBondContact O-N 2.82Å; L182-K309 VanDerWaalsContact CD2-O 3.23Å; L182-K309 WeakPolarHBondContact CD2-O 3.39Å; K309-Y424 HydrophobicContact CB-CD2 4.09Å; K309-Y424 HydrophobicContact CB-CE2 4.27Å; K309-Y424 HydrophobicContact CD-CD2 3.7Å; K309-Y424 HydrophobicContact CD-CE2 3.8Å; K309-Y424 HydrophobicContact CD-CG 4.24Å; K309-Y424 WeakPolarHBondContact CD-O 3.47Å; K309-Y424 HydrophobicContact CG-CD2 4.38Å; K309-Y424 HydrophobicContact CG-CE2 4.29Å; K309-Y424 PolarHBondContact NZ-O 3.24Å
310	P	94.7	Very high	80	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.019	26%	0.262	C	S	.	.			trans	-60.8	142.3	-168.7	-22.1	35.6	0	0	0	111.7	V184 L308 V358 P359 L361 R362	V184-P310 HydrophobicContact CG2-CB 3.74Å; L308-P310 HydrophobicContact CB-CG 4.32Å; P310-V358 HydrophobicContact CB-CG1 3.73Å; P310-V358 HydrophobicContact CG-CG1 3.65Å; P310-P359 WeakPolarHBondContact CD-O 3.37Å; P310-L361 WeakPolarHBondContact O-CA 3.25Å; P310-R362 PolarHBondContact O-N 3.06Å
311	I	97.2	Very high	79.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.5	-175.2	-158.6	177.8	0	0	0	112.8	L182 V313 L335 Q339 R362 L364 L420 V423	L182-I311 HydrophobicContact CB-CB 4.47Å; L182-I311 HydrophobicContact CB-CG2 4.11Å; L182-I311 HydrophobicContact CD2-CB 4.47Å; L182-I311 PolarHBondContact O-N 2.9Å; I311-V313 HydrophobicContact CD1-CG2 4.21Å; I311-V313 HydrophobicContact CG1-CG2 4.3Å; I311-V313 HydrophobicContact CG2-CG2 4.33Å; I311-L335 HydrophobicContact CG2-CD1 3.51Å; I311-L335 HydrophobicContact CG2-CD2 3.66Å; I311-L335 HydrophobicContact CG2-CG 4.23Å; I311-Q339 PolarHBondContact O-NE2 2.84Å; I311-R362 CarbonylContact C-O 3.53Å; I311-R362 VanDerWaalsContact CA-O 3.27Å; I311-R362 WeakPolarHBondContact CA-O 3.42Å; I311-R362 WeakPolarHBondContact CG1-O 3.26Å; I311-L364 HydrophobicContact CD1-CB 3.92Å; I311-L364 HydrophobicContact CD1-CD2 4.06Å; I311-L364 HydrophobicContact CG1-CB 4.26Å; I311-L420 HydrophobicContact CD1-CD2 3.58Å; I311-L420 HydrophobicContact CG2-CD2 4.36Å; I311-V423 HydrophobicContact CD1-CB 4.09Å; I311-V423 HydrophobicContact CD1-CG1 3.8Å; I311-V423 HydrophobicContact CD1-CG2 4.18Å; I311-V423 HydrophobicContact CG1-CG1 4.2Å
312	L	97.9	Very high	79.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.3	170.1	-177.7	62.8	0	0	0	109.6	F314 F341 L352 F355 L361 R362 I363 L364	L312-F314 HydrophobicContact CD1-CZ 4.48Å; L312-F314 HydrophobicContact CD2-CE2 3.48Å; L312-F314 VanDerWaalsContact CD2-CE2 3.48Å; L312-F314 HydrophobicContact CD2-CZ 3.62Å; L312-F314 HydrophobicContact CG-CD2 4.32Å; L312-F314 HydrophobicContact CG-CE2 3.63Å; L312-F314 HydrophobicContact CG-CZ 3.91Å; L312-F341 HydrophobicContact CD1-CD2 3.71Å; L312-F341 HydrophobicContact CD1-CE2 3.66Å; L312-L352 HydrophobicContact CD2-CD2 4.41Å; L312-F355 HydrophobicContact CD1-CD1 4.24Å; L312-F355 HydrophobicContact CD1-CD2 3.93Å; L312-F355 HydrophobicContact CD1-CE1 4.41Å; L312-F355 HydrophobicContact CD1-CE2 4.11Å; L312-F355 HydrophobicContact CD1-CG 4.01Å; L312-F355 HydrophobicContact CD1-CZ 4.36Å; L312-F355 HydrophobicContact CD2-CB 3.96Å; L312-F355 HydrophobicContact CD2-CG 4.26Å; L312-L361 HydrophobicContact CB-CD1 3.99Å; L312-L361 HydrophobicContact CB-CG 4.5Å; L312-L361 HydrophobicContact CD2-CD2 4.29Å; L312-R362 PolarHBondContact N-O 2.9Å; L312-I363 HydrophobicContact CB-CG1 4.46Å; L312-I363 CarbonylContact O-C 3.6Å; L312-I363 WeakPolarHBondContact O-CA 3.38Å; L312-L364 PolarHBondContact O-N 3.42Å
313	V	98.3	Very high	80.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.5	-172.9	-173.4	0	0	0	0	110	I311 F331 L335 Q339 V340 F341 L364	I311-V313 HydrophobicContact CD1-CG2 4.21Å; I311-V313 HydrophobicContact CG1-CG2 4.3Å; I311-V313 HydrophobicContact CG2-CG2 4.33Å; V313-F331 HydrophobicContact CG1-CD1 4.32Å; V313-F331 HydrophobicContact CG1-CD2 3.92Å; V313-F331 HydrophobicContact CG1-CE1 4.34Å; V313-F331 HydrophobicContact CG1-CE2 3.95Å; V313-F331 HydrophobicContact CG1-CG 4.14Å; V313-F331 HydrophobicContact CG1-CZ 4.18Å; V313-F331 HydrophobicContact CG2-CD1 4.08Å; V313-F331 HydrophobicContact CG2-CE1 4.27Å; V313-F331 HydrophobicContact CG2-CG 4.49Å; V313-L335 HydrophobicContact CG2-CD1 3.62Å; V313-Q339 PolarHBondContact N-O 2.58Å; V313-V340 HydrophobicContact CB-CG1 4.42Å; V313-V340 HydrophobicContact CG1-CG1 4.48Å; V313-V340 WeakPolarHBondContact O-CA 3.49Å; V313-F341 PolarHBondContact O-N 2.83Å; V313-L364 WeakPolarHBondContact CA-O 3.48Å; V313-L364 HydrophobicContact CG1-CD2 4.42Å; V313-L364 HydrophobicContact CG2-CB 4.39Å; V313-L364 HydrophobicContact CG2-CD2 4.36Å
314	F	98	Very high	82	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.7	169.4	-69.6	-74.4	0	0	0	109.9	L312 F341 V343 P348 L352 I363 L364 V365 C366 I375	L312-F314 HydrophobicContact CD1-CZ 4.48Å; L312-F314 HydrophobicContact CD2-CE2 3.48Å; L312-F314 VanDerWaalsContact CD2-CE2 3.48Å; L312-F314 HydrophobicContact CD2-CZ 3.62Å; L312-F314 HydrophobicContact CG-CD2 4.32Å; L312-F314 HydrophobicContact CG-CE2 3.63Å; L312-F314 HydrophobicContact CG-CZ 3.91Å; F314-F341 HydrophobicContact CD1-CB 3.58Å; F314-F341 HydrophobicContact CD1-CG 4.3Å; F314-F341 HydrophobicContact CE1-CB 3.74Å; F314-F341 HydrophobicContact CE1-CD2 4.28Å; F314-F341 AromaticContact CE1-CG 3.96Å; F314-F341 HydrophobicContact CE1-CG 3.96Å; F314-V343 HydrophobicContact CB-CG1 3.82Å; F314-V343 HydrophobicContact CD1-CG1 3.83Å; F314-V343 HydrophobicContact CG-CG1 4.24Å; F314-P348 HydrophobicContact CD1-CB 3.87Å; F314-P348 HydrophobicContact CE1-CB 3.66Å; F314-P348 HydrophobicContact CG-CB 4.47Å; F314-P348 HydrophobicContact CZ-CB 4.07Å; F314-L352 HydrophobicContact CE2-CD2 3.71Å; F314-L352 HydrophobicContact CE2-CG 4.01Å; F314-L352 HydrophobicContact CZ-CD2 3.98Å; F314-L352 HydrophobicContact CZ-CG 3.78Å; F314-I363 HydrophobicContact CD2-CG2 3.9Å; F314-I363 HydrophobicContact CE2-CG2 4.31Å; F314-L364 PolarHBondContact N-O 3.05Å; F314-V365 CarbonylContact O-C 3.55Å; F314-V365 WeakPolarHBondContact O-CA 3.19Å; F314-C366 PolarHBondContact O-N 2.68Å; F314-I375 HydrophobicContact CB-CD1 3.73Å; F314-I375 HydrophobicContact CD1-CD1 4.1Å; F314-I375 HydrophobicContact CD2-CD1 3.55Å; F314-I375 HydrophobicContact CE2-CD1 4.15Å; F314-I375 HydrophobicContact CG-CD1 3.51Å
315	L	95.5	Very high	83.4	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.4	-173.6	-176.9	145.4	0	0	0	111.6	P317 G324 L327 L328 F331 F341 D342 V343 C366	L315-P317 HydrophobicContact CD2-CB 4.13Å; L315-P317 WeakPolarHBondContact O-CD 3.42Å; L315-G324 WeakPolarHBondContact CD1-O 3.39Å; L315-G324 WeakPolarHBondContact CD2-O 3.49Å; L315-L327 HydrophobicContact CD1-CB 3.7Å; L315-L328 HydrophobicContact CD1-CB 4.38Å; L315-L328 HydrophobicContact CD2-CB 4.37Å; L315-L328 HydrophobicContact CD2-CD1 4.31Å; L315-F331 HydrophobicContact CD1-CD2 4.49Å; L315-F341 PolarHBondContact N-O 2.9Å; L315-D342 WeakPolarHBondContact O-CA 3.29Å; L315-V343 PolarHBondContact O-N 3.33Å; L315-C366 HydrophobicContact CB-CB 4.01Å; L315-C366 HydrophobicContact CD1-CB 3.88Å; L315-C366 HydrophobicContact CG-CB 3.86Å
316	N	92.2	Very high	84.6	Confident	34 Å²	34	41.8 Å²	41.8	18%	0.182	24%	0.244	C	C	.	.			trans	-99.6	101.8	173.5	177.5	-6.4	0	0	0	109.5	K318 S319 V343 C366 T371	N316-K318 PolarHBondContact O-N 2.69Å; N316-K318 PolarHBondContact OD1-N 2.69Å; N316-S319 WeakPolarHBondContact CB-OG 3.39Å; N316-S319 WeakPolarHBondContact O-CB 3.37Å; N316-S319 PolarHBondContact O-N 3.01Å; N316-S319 PolarHBondContact O-OG 2.88Å; N316-V343 HydrophobicContact CB-CG2 3.76Å; N316-C366 PolarHBondContact N-O 3.44Å; N316-T371 HydrophobicContact CB-CG2 3.86Å; N316-T371 PolarHBondContact ND2-OG1 2.76Å
317	P	86.1	Confident	85.9	Confident	21 Å²	21	37.4 Å²	37.4	14%	0.136	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.9	-173.5	29.4	-36.4	0	0	0	113.5	L315 S319 D342	L315-P317 HydrophobicContact CD2-CB 4.13Å; L315-P317 WeakPolarHBondContact O-CD 3.42Å; P317-S319 VanDerWaalsContact C-N 3.31Å; P317-D342 WeakPolarHBondContact CD-OD1 3.13Å; P317-D342 WeakPolarHBondContact CG-OD1 3.41Å
318	K	77.7	Confident	86.7	Confident	164 Å²	164	33.6 Å²	33.6	71%	0.713	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-2	178	-59.5	-179.1	-178	177	0	113.4	N316	N316-K318 PolarHBondContact O-N 2.69Å; N316-K318 PolarHBondContact OD1-N 2.69Å
319	S	76.1	Confident	87	Confident	10 Å²	10	34.5 Å²	34.5	7%	0.07	18%	0.183	C	C	.	.	S	Bend	trans	-58.6	151.4	178.2	-55.4	0	0	0	0	111.6	N316 P317 G321 N322 L395	N316-S319 WeakPolarHBondContact CB-OG 3.39Å; N316-S319 WeakPolarHBondContact O-CB 3.37Å; N316-S319 PolarHBondContact O-N 3.01Å; N316-S319 PolarHBondContact O-OG 2.88Å; P317-S319 VanDerWaalsContact C-N 3.31Å; S319-G321 PolarHBondContact O-N 2.96Å; S319-N322 PolarHBondContact O-N 3.44Å; S319-L395 VanDerWaalsContact CB-CB 3.41Å; S319-L395 WeakPolarHBondContact CB-O 3.48Å
320	G	62.9	Low	87.2	Confident	11 Å²	11	35 Å²	35	11%	0.113	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	10	-148.6	0	0	0	0	0	119.7	L395 S502 R503	G320-L395 PolarHBondContact N-O 2.92Å; G320-S502 CarbonylContact O-C 3.54Å; G320-S502 VanDerWaalsContact O-C 3.32Å; G320-S502 WeakPolarHBondContact O-CA 3.38Å; G320-R503 PolarHBondContact O-N 2.99Å
321	G	68.2	Low	87.3	Confident	36 Å²	36	34.9 Å²	34.9	37%	0.371	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	2.4	168.9	0	0	0	0	0	114.7	S319 Q323	S319-G321 PolarHBondContact O-N 2.96Å; G321-Q323 PolarHBondContact O-N 3.44Å
322	N	71.4	Confident	87.3	Confident	95 Å²	95	35 Å²	35	51%	0.508	19%	0.185	S	C	.	.	S	Bend	trans	55.2	9.7	-168.2	-62.2	-53.9	0	0	0	115	S319 G324	S319-N322 PolarHBondContact O-N 3.44Å; N322-G324 PolarHBondContact O-N 3.23Å
323	Q	79.6	Confident	87.2	Confident	62 Å²	62	37 Å²	37	29%	0.29	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.2	178.4	-69.4	165.9	-56.2	0	0	112.4	G321 L325 N326 L327 Y411	G321-Q323 PolarHBondContact O-N 3.44Å; Q323-L325 VanDerWaalsContact C-N 3.3Å; Q323-L325 PolarHBondContact O-N 3.09Å; Q323-N326 PolarHBondContact O-N 3.41Å; Q323-L327 PolarHBondContact O-N 2.83Å; Q323-Y411 PolarHBondContact NE2-O 3.09Å; Q323-Y411 VanDerWaalsContact NE2-O 3.1Å
324	G	84.8	Confident	87.1	Confident	1 Å²	1	38 Å²	38	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-54.2	-39.2	-175.9	0	0	0	0	0	114.1	L315 N322 N326 L327 L328	L315-G324 WeakPolarHBondContact CD1-O 3.39Å; L315-G324 WeakPolarHBondContact CD2-O 3.49Å; N322-G324 PolarHBondContact O-N 3.23Å; G324-N326 VanDerWaalsContact C-N 3.26Å; G324-N326 PolarHBondContact O-N 2.78Å; G324-L327 PolarHBondContact O-N 2.8Å; G324-L328 WeakPolarHBondContact O-CB 3.24Å; G324-L328 PolarHBondContact O-N 2.84Å
325	L	86.1	Confident	87	Confident	85 Å²	85	38 Å²	38	45%	0.445	20%	0.197	S	C	.	.	H	α-helix	trans	-67.6	-24.8	179.4	-175.3	60.7	0	0	0	113.1	Q323 L328 K329	Q323-L325 VanDerWaalsContact C-N 3.3Å; Q323-L325 PolarHBondContact O-N 3.09Å; L325-L328 HydrophobicContact CD1-CD2 4.26Å; L325-K329 WeakPolarHBondContact O-CD 3.27Å; L325-K329 WeakPolarHBondContact O-CE 3.15Å; L325-K329 WeakPolarHBondContact O-CG 3.4Å
326	N	88.7	Confident	87.1	Confident	97 Å²	97	37.9 Å²	37.9	52%	0.519	20%	0.197	S	C	.	.	H	α-helix	trans	-85.6	-39	174	-73.2	-14.6	0	0	0	111.6	Q323 G324 L328 K329 K330	Q323-N326 PolarHBondContact O-N 3.41Å; G324-N326 VanDerWaalsContact C-N 3.26Å; G324-N326 PolarHBondContact O-N 2.78Å; N326-L328 VanDerWaalsContact C-N 3.32Å; N326-L328 PolarHBondContact O-N 2.82Å; N326-K329 WeakPolarHBondContact O-CB 3.48Å; N326-K329 PolarHBondContact O-N 2.93Å; N326-K329 VanDerWaalsContact O-N 3.16Å; N326-K329 PolarHBondContact OD1-NZ 2.84Å; N326-K330 PolarHBondContact O-N 3.43Å
327	L	93.8	Very high	87.3	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-56	-44.1	170	-85.7	167	0	0	0	112.1	L315 Q323 G324 K329 K330 F331 L393 L395 Y411 V416	L315-L327 HydrophobicContact CD1-CB 3.7Å; Q323-L327 PolarHBondContact O-N 2.83Å; G324-L327 PolarHBondContact O-N 2.8Å; L327-K329 PolarHBondContact O-N 3.45Å; L327-K330 CarbonylContact O-C 3.54Å; L327-K330 PolarHBondContact O-N 3.16Å; L327-F331 HydrophobicContact CB-CD2 4.36Å; L327-F331 HydrophobicContact CB-CE2 4.22Å; L327-F331 HydrophobicContact CD2-CE2 3.92Å; L327-F331 WeakPolarHBondContact O-CD2 3.02Å; L327-F331 PolarHBondContact O-N 3.24Å; L327-L393 HydrophobicContact CD1-CD2 3.79Å; L327-L393 HydrophobicContact CD2-CD2 3.99Å; L327-L395 HydrophobicContact CD1-CD1 3.9Å; L327-L395 HydrophobicContact CD1-CD2 3.83Å; L327-L395 HydrophobicContact CD1-CG 4.45Å; L327-Y411 HydrophobicContact CD1-CD1 3.98Å; L327-Y411 HydrophobicContact CD1-CE1 3.84Å; L327-Y411 HydrophobicContact CD1-CG 4.48Å; L327-Y411 HydrophobicContact CD2-CE1 3.99Å; L327-Y411 HydrophobicContact CD2-CE2 4.14Å; L327-Y411 WeakPolarHBondContact CD2-OH 3.35Å; L327-Y411 HydrophobicContact CG-CE1 3.97Å; L327-V416 HydrophobicContact CD2-CG2 3.69Å
328	L	93.4	Very high	87.8	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-50	-44.4	175.1	-170.8	80	0	0	0	111.8	T37 L315 G324 L325 N326 Q332 V340	T37-L328 HydrophobicContact CG2-CD2 4.14Å; L315-L328 HydrophobicContact CD1-CB 4.38Å; L315-L328 HydrophobicContact CD2-CB 4.37Å; L315-L328 HydrophobicContact CD2-CD1 4.31Å; G324-L328 WeakPolarHBondContact O-CB 3.24Å; G324-L328 PolarHBondContact O-N 2.84Å; L325-L328 HydrophobicContact CD1-CD2 4.26Å; N326-L328 VanDerWaalsContact C-N 3.32Å; N326-L328 PolarHBondContact O-N 2.82Å; L328-Q332 WeakPolarHBondContact O-CB 3.35Å; L328-Q332 WeakPolarHBondContact O-CG 3.48Å; L328-Q332 PolarHBondContact O-N 2.97Å; L328-V340 HydrophobicContact CD1-CG1 3.7Å
329	K	93.3	Very high	88.8	Confident	45 Å²	45	27.6 Å²	27.6	20%	0.196	15%	0.148	C	C	.	.	H	α-helix	trans	-70.8	-44.3	178.2	-56.4	161	-164.1	160	0	111.1	N52 L325 N326 L327 F331 Q332 W333	N52-K329 HydrophobicContact CB-CD 4.39Å; N52-K329 WeakPolarHBondContact OD1-CE 3.26Å; L325-K329 WeakPolarHBondContact O-CD 3.27Å; L325-K329 WeakPolarHBondContact O-CE 3.15Å; L325-K329 WeakPolarHBondContact O-CG 3.4Å; N326-K329 WeakPolarHBondContact O-CB 3.48Å; N326-K329 PolarHBondContact O-N 2.93Å; N326-K329 VanDerWaalsContact O-N 3.16Å; N326-K329 PolarHBondContact OD1-NZ 2.84Å; L327-K329 PolarHBondContact O-N 3.45Å; K329-F331 VanDerWaalsContact C-N 3.33Å; K329-F331 PolarHBondContact O-N 3.34Å; K329-Q332 PolarHBondContact O-N 2.95Å; K329-W333 PolarHBondContact O-N 3.37Å; K329-W333 VanDerWaalsContact O-N 3.1Å
330	K	95.3	Very high	89.8	Confident	66 Å²	66	27.3 Å²	27.3	29%	0.287	15%	0.146	S	C	.	.	H	α-helix	trans	-57.7	-42.5	175.9	-69	-172.8	177.2	-175.6	0	110.8	N326 L327 D413 V416	N326-K330 PolarHBondContact O-N 3.43Å; L327-K330 CarbonylContact O-C 3.54Å; L327-K330 PolarHBondContact O-N 3.16Å; K330-D413 IonicContact NZ-OD1 2.73Å; K330-D413 PolarHBondContact NZ-OD1 2.81Å; K330-D413 IonicContact NZ-OD2 3.7Å; K330-V416 HydrophobicContact CB-CB 4.33Å; K330-V416 HydrophobicContact CB-CG2 3.7Å; K330-V416 HydrophobicContact CD-CG2 3.78Å; K330-V416 HydrophobicContact CG-CG2 4.34Å
331	F	97.2	Very high	91.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.7	-46	175.3	-72.7	-67.1	0	0	0	113.6	V313 L315 L327 K329 W333 L334 L335 V340 L364 L393 V416 L420	V313-F331 HydrophobicContact CG1-CD1 4.32Å; V313-F331 HydrophobicContact CG1-CD2 3.92Å; V313-F331 HydrophobicContact CG1-CE1 4.34Å; V313-F331 HydrophobicContact CG1-CE2 3.95Å; V313-F331 HydrophobicContact CG1-CG 4.14Å; V313-F331 HydrophobicContact CG1-CZ 4.18Å; V313-F331 HydrophobicContact CG2-CD1 4.08Å; V313-F331 HydrophobicContact CG2-CE1 4.27Å; V313-F331 HydrophobicContact CG2-CG 4.49Å; L315-F331 HydrophobicContact CD1-CD2 4.49Å; L327-F331 HydrophobicContact CB-CD2 4.36Å; L327-F331 HydrophobicContact CB-CE2 4.22Å; L327-F331 HydrophobicContact CD2-CE2 3.92Å; L327-F331 WeakPolarHBondContact O-CD2 3.02Å; L327-F331 PolarHBondContact O-N 3.24Å; K329-F331 VanDerWaalsContact C-N 3.33Å; K329-F331 PolarHBondContact O-N 3.34Å; F331-W333 PolarHBondContact O-N 2.87Å; F331-W333 VanDerWaalsContact O-N 3.17Å; F331-L334 PolarHBondContact O-N 2.95Å; F331-L335 HydrophobicContact CD1-CD1 4.13Å; F331-L335 PolarHBondContact O-N 2.93Å; F331-V340 HydrophobicContact CB-CG1 3.95Å; F331-V340 HydrophobicContact CB-CG2 3.85Å; F331-L364 HydrophobicContact CE1-CD2 3.75Å; F331-L364 HydrophobicContact CZ-CD2 3.63Å; F331-L393 HydrophobicContact CZ-CD2 4.38Å; F331-V416 HydrophobicContact CD1-CG1 3.56Å; F331-V416 HydrophobicContact CE1-CG1 3.4Å; F331-V416 HydrophobicContact CG-CG1 4.23Å; F331-V416 HydrophobicContact CZ-CG1 3.95Å; F331-L420 HydrophobicContact CD1-CD2 4.28Å; F331-L420 HydrophobicContact CE1-CD2 3.99Å; F331-L420 HydrophobicContact CE1-CG 4.38Å
332	Q	96.5	Very high	92.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-20.5	178.4	-75.5	174.1	-6.7	0	0	113.7	A36 S77 L328 K329 P337 V340	A36-Q332 PolarHBondContact O-NE2 2.83Å; S77-Q332 VanDerWaalsContact CB-OE1 3.29Å; S77-Q332 PolarHBondContact OG-OE1 3.36Å; L328-Q332 WeakPolarHBondContact O-CB 3.35Å; L328-Q332 WeakPolarHBondContact O-CG 3.48Å; L328-Q332 PolarHBondContact O-N 2.97Å; K329-Q332 PolarHBondContact O-N 2.95Å; Q332-P337 HydrophobicContact CB-CB 4.48Å; Q332-P337 HydrophobicContact CG-CB 4.22Å; Q332-V340 HydrophobicContact CG-CB 4.12Å; Q332-V340 HydrophobicContact CG-CG1 4.33Å; Q332-V340 HydrophobicContact CG-CG2 4.26Å
333	W	95.5	Very high	93.6	Very high	44 Å²	44	22.5 Å²	22.5	17%	0.167	11%	0.109	C	C	.	.	H	α-helix	trans	-78.2	-30.9	172.8	167.8	-119.7	0	0	0	113.4	S77 H80 T152 K155 K329 F331	S77-W333 WeakPolarHBondContact O-CA 3.48Å; S77-W333 WeakPolarHBondContact O-CB 3.36Å; H80-W333 HydrophobicContact CB-CE3 4.47Å; H80-W333 HydrophobicContact CB-CZ3 4.32Å; H80-W333 AromaticContact CD2-CE3 4Å; H80-W333 AromaticContact CE1-CD1 3.71Å; H80-W333 AromaticContact CE1-CD2 3.45Å; H80-W333 VanDerWaalsContact CE1-CD2 3.45Å; H80-W333 AromaticContact CE1-CE2 3.82Å; H80-W333 AromaticContact CE1-CE3 3.98Å; H80-W333 AromaticContact CE1-CG 3.41Å; H80-W333 VanDerWaalsContact CE1-CG 3.41Å; H80-W333 AromaticContact CE1-NE1 3.91Å; H80-W333 AromaticContact CG-CE3 3.83Å; H80-W333 AromaticContact ND1-CD2 3.61Å; H80-W333 AromaticContact ND1-CE2 3.76Å; H80-W333 AromaticContact ND1-CE3 3.81Å; H80-W333 AromaticContact NE2-CD2 3.87Å; H80-W333 AromaticContact NE2-CG 3.69Å; T152-W333 HydrophobicContact CG2-CZ3 4.39Å; K155-W333 HydrophobicContact CD-CH2 4.17Å; K155-W333 HydrophobicContact CD-CZ2 3.83Å; K155-W333 PolarHBondContact NZ-O 3.09Å; K329-W333 PolarHBondContact O-N 3.37Å; K329-W333 VanDerWaalsContact O-N 3.1Å; F331-W333 PolarHBondContact O-N 2.87Å; F331-W333 VanDerWaalsContact O-N 3.17Å
334	L	96.5	Very high	94	Very high	19 Å²	19	22.4 Å²	22.4	10%	0.099	12%	0.115	C	C	.	.	H	α-helix	trans	-97.3	-43.4	-174.2	-61.7	179.9	0	0	0	112.7	Y179 F331 V416 L420	Y179-L334 HydrophobicContact CE2-CD2 3.91Å; F331-L334 PolarHBondContact O-N 2.95Å; L334-V416 HydrophobicContact CD1-CB 4.31Å; L334-V416 HydrophobicContact CD1-CG1 3.98Å; L334-L420 HydrophobicContact CB-CD1 4.27Å; L334-L420 HydrophobicContact CD1-CD1 3.88Å
335	L	97.3	Very high	94.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-93.2	-172.1	-174.6	-59.2	176.4	0	0	0	112.3	R96 W153 L182 I183 I311 V313 F331 P337 V340 L420	R96-L335 PolarHBondContact NH1-O 3.14Å; W153-L335 WeakPolarHBondContact CZ3-O 3.48Å; L182-L335 HydrophobicContact CB-CD2 4.22Å; I183-L335 HydrophobicContact CG1-CD2 4.36Å; I311-L335 HydrophobicContact CG2-CD1 3.51Å; I311-L335 HydrophobicContact CG2-CD2 3.66Å; I311-L335 HydrophobicContact CG2-CG 4.23Å; V313-L335 HydrophobicContact CG2-CD1 3.62Å; F331-L335 HydrophobicContact CD1-CD1 4.13Å; F331-L335 PolarHBondContact O-N 2.93Å; L335-P337 WeakPolarHBondContact O-CD 3.35Å; L335-V340 HydrophobicContact CD1-CG2 4.35Å; L335-L420 HydrophobicContact CD1-CD2 4.24Å; L335-L420 HydrophobicContact CD2-CD1 4.28Å; L335-L420 HydrophobicContact CD2-CD2 4.27Å
336	N	97.3	Very high	94	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.			trans	-68.8	128.7	156.1	-166.4	-29.3	0	0	0	107.8	T98 W153 V184 I189 R338 Q339	T98-N336 WeakPolarHBondContact CB-OD1 3.33Å; T98-N336 PolarHBondContact O-ND2 2.8Å; T98-N336 PolarHBondContact O-OD1 2.96Å; W153-N336 HydrophobicContact CH2-CB 3.51Å; W153-N336 HydrophobicContact CZ3-CB 4.11Å; V184-N336 PolarHBondContact O-ND2 2.77Å; I189-N336 WeakPolarHBondContact CD1-ND2 3.18Å; N336-R338 PolarHBondContact O-N 3.22Å; N336-R338 WeakPolarHBondContact OD1-CB 3.34Å; N336-R338 PolarHBondContact OD1-N 3.18Å; N336-Q339 HydrophobicContact CB-CG 3.96Å; N336-Q339 WeakPolarHBondContact O-CB 3.17Å; N336-Q339 PolarHBondContact O-N 3Å
337	P	96.6	Very high	94.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-54.9	-23.7	173	-27	34.7	0	0	0	114	P38 L50 V78 T98 Q332 L335 Q339 V340	P38-P337 HydrophobicContact CG-CB 4.06Å; P38-P337 WeakPolarHBondContact CG-O 3.45Å; L50-P337 HydrophobicContact CD1-CB 3.84Å; V78-P337 HydrophobicContact CB-CG 4.07Å; V78-P337 HydrophobicContact CG1-CG 3.52Å; V78-P337 HydrophobicContact CG2-CB 4.09Å; V78-P337 HydrophobicContact CG2-CG 3.42Å; V78-P337 VanDerWaalsContact CG2-CG 3.42Å; T98-P337 HydrophobicContact CG2-CB 4.27Å; T98-P337 HydrophobicContact CG2-CG 3.84Å; Q332-P337 HydrophobicContact CB-CB 4.48Å; Q332-P337 HydrophobicContact CG-CB 4.22Å; L335-P337 WeakPolarHBondContact O-CD 3.35Å; P337-Q339 VanDerWaalsContact C-N 3.31Å; P337-V340 PolarHBondContact O-N 2.98Å
338	R	96.1	Very high	94.2	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-76.3	-9	173.8	-71.6	-172.7	-176.5	-77.2	-3.1	114.9	P38 N39 W40 T98 F99 I189 N336 V340 F341 F355	P38-R338 HydrophobicContact CB-CG 4.09Å; P38-R338 HydrophobicContact CG-CG 4.17Å; N39-R338 VanDerWaalsContact O-CZ 3.28Å; N39-R338 PolarHBondContact O-NH1 3.23Å; N39-R338 PolarHBondContact O-NH2 2.97Å; W40-R338 HydrophobicContact CH2-CB 3.62Å; W40-R338 HydrophobicContact CH2-CG 3.84Å; W40-R338 HydrophobicContact CZ2-CB 3.62Å; W40-R338 HydrophobicContact CZ2-CG 3.8Å; W40-R338 WeakPolarHBondContact CZ2-O 3.38Å; W40-R338 HydrophobicContact CZ3-CG 4.43Å; T98-R338 PolarHBondContact OG1-NE 3.22Å; T98-R338 VanDerWaalsContact OG1-NE 3.16Å; F99-R338 VanDerWaalsContact CD1-NH2 3.34Å; I189-R338 HydrophobicContact CD1-CB 3.74Å; N336-R338 PolarHBondContact O-N 3.22Å; N336-R338 WeakPolarHBondContact OD1-CB 3.34Å; N336-R338 PolarHBondContact OD1-N 3.18Å; R338-V340 VanDerWaalsContact C-N 3.3Å; R338-F341 WeakPolarHBondContact O-CE2 3.35Å; R338-F355 WeakPolarHBondContact O-CE2 3.18Å; R338-F355 VanDerWaalsContact O-CZ 3.26Å; R338-F355 WeakPolarHBondContact O-CZ 3.34Å
339	Q	97.5	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-86.6	0.7	168.5	-68.5	168.7	-90.9	0	0	112.6	L182 V184 I311 V313 N336 P337 F355	L182-Q339 PolarHBondContact O-NE2 3.43Å; V184-Q339 HydrophobicContact CB-CG 4.07Å; V184-Q339 HydrophobicContact CG2-CG 4.22Å; I311-Q339 PolarHBondContact O-NE2 2.84Å; V313-Q339 PolarHBondContact N-O 2.58Å; N336-Q339 HydrophobicContact CB-CG 3.96Å; N336-Q339 WeakPolarHBondContact O-CB 3.17Å; N336-Q339 PolarHBondContact O-N 3Å; P337-Q339 VanDerWaalsContact C-N 3.31Å; Q339-F355 HydrophobicContact CG-CE1 3.84Å; Q339-F355 HydrophobicContact CG-CZ 4.16Å
340	V	97.2	Very high	94	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	101.5	-170.7	-166.2	0	0	0	0	110.4	V313 L328 F331 Q332 L335 P337 R338	V313-V340 HydrophobicContact CB-CG1 4.42Å; V313-V340 HydrophobicContact CG1-CG1 4.48Å; V313-V340 WeakPolarHBondContact O-CA 3.49Å; L328-V340 HydrophobicContact CD1-CG1 3.7Å; F331-V340 HydrophobicContact CB-CG1 3.95Å; F331-V340 HydrophobicContact CB-CG2 3.85Å; Q332-V340 HydrophobicContact CG-CB 4.12Å; Q332-V340 HydrophobicContact CG-CG1 4.33Å; Q332-V340 HydrophobicContact CG-CG2 4.26Å; L335-V340 HydrophobicContact CD1-CG2 4.35Å; P337-V340 PolarHBondContact O-N 2.98Å; R338-V340 VanDerWaalsContact C-N 3.3Å
341	F	96	Very high	93.8	Very high	18 Å²	18	26.3 Å²	26.3	8%	0.079	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.3	-175.8	-74.8	-98.2	0	0	0	111.9	W40 L312 V313 F314 L315 R338 G351 F355	W40-F341 AromaticContact CE2-CZ 3.84Å; W40-F341 HydrophobicContact CH2-CZ 4.3Å; W40-F341 HydrophobicContact CZ2-CE1 4.14Å; W40-F341 HydrophobicContact CZ2-CE2 4.13Å; W40-F341 AromaticContact CZ2-CZ 3.44Å; W40-F341 HydrophobicContact CZ2-CZ 3.44Å; W40-F341 VanDerWaalsContact CZ2-CZ 3.44Å; W40-F341 AromaticContact NE1-CE1 3.72Å; W40-F341 AromaticContact NE1-CZ 3.93Å; L312-F341 HydrophobicContact CD1-CD2 3.71Å; L312-F341 HydrophobicContact CD1-CE2 3.66Å; V313-F341 PolarHBondContact O-N 2.83Å; F314-F341 HydrophobicContact CD1-CB 3.58Å; F314-F341 HydrophobicContact CD1-CG 4.3Å; F314-F341 HydrophobicContact CE1-CB 3.74Å; F314-F341 HydrophobicContact CE1-CD2 4.28Å; F314-F341 AromaticContact CE1-CG 3.96Å; F314-F341 HydrophobicContact CE1-CG 3.96Å; L315-F341 PolarHBondContact N-O 2.9Å; R338-F341 WeakPolarHBondContact O-CE2 3.35Å; F341-G351 VanDerWaalsContact CZ-CA 3.41Å; F341-F355 HydrophobicContact CE2-CD2 4.33Å; F341-F355 AromaticContact CE2-CE2 3.8Å; F341-F355 HydrophobicContact CE2-CE2 3.8Å; F341-F355 HydrophobicContact CZ-CE2 4.09Å
342	D	93.5	Very high	93.7	Very high	19 Å²	19	26.3 Å²	26.3	10%	0.102	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.5	168.5	176.8	-12.3	0	0	0	108.1	T37 L315 P317 S344 K345	T37-D342 HydrophobicContact CG2-CB 4.48Å; L315-D342 WeakPolarHBondContact O-CA 3.29Å; P317-D342 WeakPolarHBondContact CD-OD1 3.13Å; P317-D342 WeakPolarHBondContact CG-OD1 3.41Å; D342-S344 PolarHBondContact O-N 3.17Å; D342-S344 VanDerWaalsContact O-N 3.09Å; D342-S344 WeakPolarHBondContact OD1-CB 3.47Å; D342-S344 PolarHBondContact OD1-N 3.41Å; D342-S344 PolarHBondContact OD1-OG 3.41Å; D342-K345 HydrophobicContact CB-CD 4.2Å; D342-K345 HydrophobicContact CB-CG 4.23Å; D342-K345 PolarHBondContact O-N 2.91Å; D342-K345 WeakPolarHBondContact OD2-CE 3.4Å; D342-K345 IonicContact OD2-NZ 3.47Å
343	V	93.2	Very high	93.2	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.6	-175.4	-59	0	0	0	0	112.9	F314 L315 N316 K345 G347 T371 W374	F314-V343 HydrophobicContact CB-CG1 3.82Å; F314-V343 HydrophobicContact CD1-CG1 3.83Å; F314-V343 HydrophobicContact CG-CG1 4.24Å; L315-V343 PolarHBondContact O-N 3.33Å; N316-V343 HydrophobicContact CB-CG2 3.76Å; V343-K345 PolarHBondContact O-N 2.9Å; V343-G347 VanDerWaalsContact O-CA 3.3Å; V343-G347 WeakPolarHBondContact O-CA 3.4Å; V343-G347 PolarHBondContact O-N 3.24Å; V343-G347 VanDerWaalsContact O-N 3.11Å; V343-T371 HydrophobicContact CG2-CG2 4.4Å; V343-W374 HydrophobicContact CB-CH2 4.36Å; V343-W374 HydrophobicContact CB-CZ3 3.87Å; V343-W374 HydrophobicContact CG2-CE3 4.49Å; V343-W374 HydrophobicContact CG2-CZ3 3.91Å; V343-W374 WeakPolarHBondContact O-CH2 3.33Å
344	S	88.7	Confident	92.9	Very high	61 Å²	61	28.3 Å²	28.3	43%	0.427	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-3.3	171.9	76.7	0	0	0	0	113.7	D342	D342-S344 PolarHBondContact O-N 3.17Å; D342-S344 VanDerWaalsContact O-N 3.09Å; D342-S344 WeakPolarHBondContact OD1-CB 3.47Å; D342-S344 PolarHBondContact OD1-N 3.41Å; D342-S344 PolarHBondContact OD1-OG 3.41Å
345	K	87	Confident	92.6	Very high	121 Å²	121	27.4 Å²	27.4	53%	0.526	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	62.9	179.3	-60.1	-174.6	-173.6	-178.8	0	112.3	T37 D342 V343	T37-K345 HydrophobicContact CG2-CD 4.39Å; T37-K345 PolarHBondContact OG1-NZ 3.23Å; D342-K345 HydrophobicContact CB-CD 4.2Å; D342-K345 HydrophobicContact CB-CG 4.23Å; D342-K345 PolarHBondContact O-N 2.91Å; D342-K345 WeakPolarHBondContact OD2-CE 3.4Å; D342-K345 IonicContact OD2-NZ 3.47Å; V343-K345 PolarHBondContact O-N 2.9Å
346	G	83.4	Confident	92.1	Very high	73 Å²	73	29.1 Å²	29.1	75%	0.753	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.8	9.6	176.9	0	0	0	0	0	115.2
347	G	91.9	Very high	91.1	Very high	10 Å²	10	35.1 Å²	35.1	10%	0.103	19%	0.191	C	C	.	.			trans	69.2	-168	179.2	0	0	0	0	0	113.8	V343	V343-G347 VanDerWaalsContact O-CA 3.3Å; V343-G347 WeakPolarHBondContact O-CA 3.4Å; V343-G347 PolarHBondContact O-N 3.24Å; V343-G347 VanDerWaalsContact O-N 3.11Å
348	P	95.1	Very high	90.6	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.019	19%	0.193	C	C	.	.	S	Bend	trans	-90.3	-18.2	-175.9	32.1	-32.4	0	0	0	115.1	F314 M350 G351 L352 W374 I375 T378	F314-P348 HydrophobicContact CD1-CB 3.87Å; F314-P348 HydrophobicContact CE1-CB 3.66Å; F314-P348 HydrophobicContact CG-CB 4.47Å; F314-P348 HydrophobicContact CZ-CB 4.07Å; P348-M350 PolarHBondContact O-N 2.78Å; P348-G351 PolarHBondContact O-N 3.38Å; P348-L352 HydrophobicContact CB-CD1 4.13Å; P348-L352 PolarHBondContact O-N 3.01Å; P348-W374 HydrophobicContact CG-CD2 4.49Å; P348-I375 HydrophobicContact CB-CD1 3.45Å; P348-I375 VanDerWaalsContact CB-CD1 3.45Å; P348-I375 HydrophobicContact CG-CD1 3.91Å; P348-T378 HydrophobicContact CG-CG2 4.06Å; P348-T378 WeakPolarHBondContact CG-OG1 2.98Å
349	K	92.2	Very high	89.8	Confident	92 Å²	92	37.4 Å²	37.4	40%	0.4	21%	0.206	S	C	.	.	H	α-helix	trans	-44.6	-58.3	-175	-174.4	-161.8	170.7	-170.8	0	111.3	E291 G351 L352 E353 T378 M382	E291-K349 IonicContact OE1-NZ 3.78Å; E291-K349 PolarHBondContact OE1-NZ 2.97Å; K349-G351 PolarHBondContact O-N 3.26Å; K349-G351 VanDerWaalsContact O-N 3.15Å; K349-L352 PolarHBondContact O-N 3.11Å; K349-L352 VanDerWaalsContact O-N 3.16Å; K349-E353 VanDerWaalsContact CE-OE2 3.26Å; K349-E353 WeakPolarHBondContact CE-OE2 3.42Å; K349-E353 IonicContact NZ-OE2 3.66Å; K349-E353 VanDerWaalsContact O-CB 3.23Å; K349-E353 WeakPolarHBondContact O-CB 2.86Å; K349-E353 PolarHBondContact O-N 3.07Å; K349-T378 HydrophobicContact CB-CG2 4.12Å; K349-M382 HydrophobicContact CB-CE 4.1Å; K349-M382 HydrophobicContact CG-CE 3.44Å; K349-M382 VanDerWaalsContact CG-CE 3.44Å; K349-M382 WeakPolarHBondContact O-CE 3.48Å
350	M	89.6	Confident	89.3	Confident	82 Å²	82	41.2 Å²	41.2	40%	0.404	23%	0.226	S	C	.	.	H	α-helix	trans	-56.3	-36.4	-177.7	-172.9	179.4	-162.5	0	0	113.7	W40 P348 L354	W40-M350 HydrophobicContact CB-CE 3.43Å; W40-M350 VanDerWaalsContact CB-CE 3.43Å; W40-M350 HydrophobicContact CB-SD 4.33Å; W40-M350 HydrophobicContact CD2-CE 4.46Å; W40-M350 HydrophobicContact CG-CE 3.9Å; W40-M350 HydrophobicContact CG-SD 4.43Å; P348-M350 PolarHBondContact O-N 2.78Å; M350-L354 HydrophobicContact CE-CD1 4.18Å; M350-L354 HydrophobicContact CG-CD1 3.95Å; M350-L354 VanDerWaalsContact O-CB 3.31Å; M350-L354 WeakPolarHBondContact O-CB 3.45Å; M350-L354 WeakPolarHBondContact O-CD1 3.46Å; M350-L354 WeakPolarHBondContact O-CG 3.33Å; M350-L354 PolarHBondContact O-N 3.41Å
351	G	92.6	Very high	89	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-75.2	-41.8	179.3	0	0	0	0	0	112.7	F341 P348 K349 F355	F341-G351 VanDerWaalsContact CZ-CA 3.41Å; P348-G351 PolarHBondContact O-N 3.38Å; K349-G351 PolarHBondContact O-N 3.26Å; K349-G351 VanDerWaalsContact O-N 3.15Å; G351-F355 WeakPolarHBondContact O-CB 3.32Å; G351-F355 VanDerWaalsContact O-CD2 3.26Å; G351-F355 WeakPolarHBondContact O-CD2 3.29Å; G351-F355 PolarHBondContact O-N 3.17Å
352	L	93.6	Very high	89	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-46.8	177	-68.3	169	0	0	0	110.7	L312 F314 P348 K349 F355 S356 I363 T378 I379 M382 F384	L312-L352 HydrophobicContact CD2-CD2 4.41Å; F314-L352 HydrophobicContact CE2-CD2 3.71Å; F314-L352 HydrophobicContact CE2-CG 4.01Å; F314-L352 HydrophobicContact CZ-CD2 3.98Å; F314-L352 HydrophobicContact CZ-CG 3.78Å; P348-L352 HydrophobicContact CB-CD1 4.13Å; P348-L352 PolarHBondContact O-N 3.01Å; K349-L352 PolarHBondContact O-N 3.11Å; K349-L352 VanDerWaalsContact O-N 3.16Å; L352-F355 PolarHBondContact O-N 3.33Å; L352-S356 WeakPolarHBondContact O-CA 3.31Å; L352-S356 WeakPolarHBondContact O-CB 3.4Å; L352-S356 PolarHBondContact O-N 3.06Å; L352-I363 HydrophobicContact CD2-CD1 3.53Å; L352-T378 HydrophobicContact CD1-CG2 3.72Å; L352-I379 HydrophobicContact CD1-CG1 3.98Å; L352-I379 HydrophobicContact CD2-CD1 4.49Å; L352-I379 HydrophobicContact CD2-CG1 4.08Å; L352-M382 HydrophobicContact CB-CE 3.95Å; L352-M382 HydrophobicContact CB-SD 3.53Å; L352-M382 VanDerWaalsContact CB-SD 3.53Å; L352-M382 HydrophobicContact CD1-SD 4.47Å; L352-F384 HydrophobicContact CB-CE2 4.38Å; L352-F384 HydrophobicContact CB-CZ 4.09Å; L352-F384 HydrophobicContact CD2-CZ 4.15Å
353	E	87.1	Confident	89.2	Confident	67 Å²	67	41 Å²	41	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-49.1	-179.8	-174.6	176.8	177.5	0	0	112.2	I294 K349 F355 S356 M382	I294-E353 WeakPolarHBondContact CD1-OE1 3.35Å; K349-E353 VanDerWaalsContact CE-OE2 3.26Å; K349-E353 WeakPolarHBondContact CE-OE2 3.42Å; K349-E353 IonicContact NZ-OE2 3.66Å; K349-E353 VanDerWaalsContact O-CB 3.23Å; K349-E353 WeakPolarHBondContact O-CB 2.86Å; K349-E353 PolarHBondContact O-N 3.07Å; E353-F355 VanDerWaalsContact C-N 3.32Å; E353-F355 PolarHBondContact O-N 3Å; E353-S356 WeakPolarHBondContact O-CB 3.32Å; E353-S356 PolarHBondContact O-N 3.01Å; E353-S356 PolarHBondContact O-OG 2.92Å; E353-M382 HydrophobicContact CB-CE 3.98Å
354	L	87.8	Confident	89.5	Confident	19 Å²	19	40.9 Å²	40.9	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-32.9	179.2	-77.3	171.7	0	0	0	113.7	W40 I294 F296 I298 M350	W40-L354 HydrophobicContact CD2-CD1 4.17Å; W40-L354 HydrophobicContact CE3-CD1 3.8Å; W40-L354 HydrophobicContact CH2-CD1 3.94Å; W40-L354 HydrophobicContact CZ2-CD1 4.32Å; W40-L354 HydrophobicContact CZ3-CD1 3.69Å; I294-L354 HydrophobicContact CG2-CD2 3.82Å; F296-L354 HydrophobicContact CB-CD2 4.1Å; F296-L354 WeakPolarHBondContact O-CD2 3.34Å; I298-L354 WeakPolarHBondContact CD1-O 3.21Å; I298-L354 WeakPolarHBondContact CG1-O 3.42Å; M350-L354 HydrophobicContact CE-CD1 4.18Å; M350-L354 HydrophobicContact CG-CD1 3.95Å; M350-L354 VanDerWaalsContact O-CB 3.31Å; M350-L354 WeakPolarHBondContact O-CB 3.45Å; M350-L354 WeakPolarHBondContact O-CD1 3.46Å; M350-L354 WeakPolarHBondContact O-CG 3.33Å; M350-L354 PolarHBondContact O-N 3.41Å
355	F	91.8	Very high	89.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-101.7	-1.4	-175.8	-73.1	-106.2	0	0	0	113.4	W40 V184 I189 I298 L312 R338 Q339 F341 G351 L352 E353 R357 V358 L361	W40-F355 HydrophobicContact CH2-CE2 4.12Å; W40-F355 HydrophobicContact CZ2-CE2 4.49Å; V184-F355 HydrophobicContact CB-CE1 4.13Å; V184-F355 HydrophobicContact CG1-CE1 4.23Å; V184-F355 HydrophobicContact CG2-CD1 4.17Å; V184-F355 HydrophobicContact CG2-CE1 3.84Å; I189-F355 HydrophobicContact CD1-CZ 4.14Å; I298-F355 HydrophobicContact CD1-CB 4.47Å; I298-F355 HydrophobicContact CD1-CD1 3.57Å; I298-F355 HydrophobicContact CD1-CD2 3.59Å; I298-F355 HydrophobicContact CD1-CE1 3.53Å; I298-F355 HydrophobicContact CD1-CE2 3.56Å; I298-F355 HydrophobicContact CD1-CG 3.6Å; I298-F355 HydrophobicContact CD1-CZ 3.52Å; L312-F355 HydrophobicContact CD1-CD1 4.24Å; L312-F355 HydrophobicContact CD1-CD2 3.93Å; L312-F355 HydrophobicContact CD1-CE1 4.41Å; L312-F355 HydrophobicContact CD1-CE2 4.11Å; L312-F355 HydrophobicContact CD1-CG 4.01Å; L312-F355 HydrophobicContact CD1-CZ 4.36Å; L312-F355 HydrophobicContact CD2-CB 3.96Å; L312-F355 HydrophobicContact CD2-CG 4.26Å; R338-F355 WeakPolarHBondContact O-CE2 3.18Å; R338-F355 VanDerWaalsContact O-CZ 3.26Å; R338-F355 WeakPolarHBondContact O-CZ 3.34Å; Q339-F355 HydrophobicContact CG-CE1 3.84Å; Q339-F355 HydrophobicContact CG-CZ 4.16Å; F341-F355 HydrophobicContact CE2-CD2 4.33Å; F341-F355 AromaticContact CE2-CE2 3.8Å; F341-F355 HydrophobicContact CE2-CE2 3.8Å; F341-F355 HydrophobicContact CZ-CE2 4.09Å; G351-F355 WeakPolarHBondContact O-CB 3.32Å; G351-F355 VanDerWaalsContact O-CD2 3.26Å; G351-F355 WeakPolarHBondContact O-CD2 3.29Å; G351-F355 PolarHBondContact O-N 3.17Å; L352-F355 PolarHBondContact O-N 3.33Å; E353-F355 VanDerWaalsContact C-N 3.32Å; E353-F355 PolarHBondContact O-N 3Å; F355-R357 PolarHBondContact O-N 3.06Å; F355-V358 HydrophobicContact CB-CG2 4.36Å; F355-V358 HydrophobicContact CD1-CG2 4.12Å; F355-V358 WeakPolarHBondContact O-CB 3.48Å; F355-V358 WeakPolarHBondContact O-CG2 3.33Å; F355-V358 PolarHBondContact O-N 3.45Å; F355-L361 HydrophobicContact CB-CD1 4.47Å; F355-L361 HydrophobicContact CB-CD2 4.05Å
356	S	85.7	Confident	90.4	Very high	37 Å²	37	32.2 Å²	32.2	26%	0.259	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-30	-177.2	55.2	0	0	0	0	115.8	L352 E353	L352-S356 WeakPolarHBondContact O-CA 3.31Å; L352-S356 WeakPolarHBondContact O-CB 3.4Å; L352-S356 PolarHBondContact O-N 3.06Å; E353-S356 WeakPolarHBondContact O-CB 3.32Å; E353-S356 PolarHBondContact O-N 3.01Å; E353-S356 PolarHBondContact O-OG 2.92Å
357	R	76.9	Confident	90.9	Very high	125 Å²	125	28.7 Å²	28.7	47%	0.472	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	15	180	-64.6	-176.1	178.9	74.5	2.5	114.5	F355 P359 T1257 N1258	F355-R357 PolarHBondContact O-N 3.06Å; R357-P359 WeakPolarHBondContact O-CD 3.33Å; R357-T1257 VanDerWaalsContact CZ-O 3.26Å; R357-T1257 PolarHBondContact NH1-O 3.34Å; R357-T1257 PolarHBondContact NH2-O 2.7Å; R357-N1258 VanDerWaalsContact NH2-C 3.34Å; R357-N1258 VanDerWaalsContact NH2-CA 3.33Å; R357-N1258 PolarHBondContact NH2-O 3.41Å
358	V	85.4	Confident	90.9	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.042	14%	0.141	C	C	.	.			trans	-84.4	116	171.4	178.4	0	0	0	0	108.2	V184 I298 T300 P310 F355 L361	V184-V358 HydrophobicContact CG2-CG1 4.36Å; I298-V358 HydrophobicContact CG2-CG2 3.81Å; T300-V358 HydrophobicContact CG2-CG2 4.45Å; P310-V358 HydrophobicContact CB-CG1 3.73Å; P310-V358 HydrophobicContact CG-CG1 3.65Å; F355-V358 HydrophobicContact CB-CG2 4.36Å; F355-V358 HydrophobicContact CD1-CG2 4.12Å; F355-V358 WeakPolarHBondContact O-CB 3.48Å; F355-V358 WeakPolarHBondContact O-CG2 3.33Å; F355-V358 PolarHBondContact O-N 3.45Å; V358-L361 HydrophobicContact CB-CB 4.41Å; V358-L361 HydrophobicContact CB-CD1 4.15Å; V358-L361 HydrophobicContact CG1-CB 4.47Å; V358-L361 HydrophobicContact CG1-CD1 4.07Å; V358-L361 WeakPolarHBondContact O-CB 3.29Å
359	P	80.2	Confident	90.9	Very high	43 Å²	43	29.7 Å²	29.7	28%	0.279	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	153.1	179.2	28.7	-33.8	0	0	0	110.6	T305 P310 R357 L361	T305-P359 HydrophobicContact CG2-CG 3.48Å; T305-P359 VanDerWaalsContact CG2-CG 3.48Å; P310-P359 WeakPolarHBondContact CD-O 3.37Å; R357-P359 WeakPolarHBondContact O-CD 3.33Å; P359-L361 PolarHBondContact O-N 3.09Å; P359-L361 VanDerWaalsContact O-N 3.11Å
360	N	85.7	Confident	90.9	Very high	80 Å²	80	27 Å²	27	43%	0.428	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	24.2	-178.3	-59.3	-18.2	0	0	0	114.4	T305 A306 L308 R362	T305-N360 PolarHBondContact O-ND2 3.18Å; A306-N360 PolarHBondContact O-ND2 2.9Å; L308-N360 WeakPolarHBondContact O-CB 3.4Å; L308-N360 PolarHBondContact O-ND2 3.15Å; N360-R362 PolarHBondContact O-N 2.72Å
361	L	92.1	Very high	91.1	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.042	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-61.1	120.3	-178.2	-175.3	71.2	0	0	0	111.2	P310 L312 F355 V358 P359 P388 P389	P310-L361 WeakPolarHBondContact O-CA 3.25Å; L312-L361 HydrophobicContact CB-CD1 3.99Å; L312-L361 HydrophobicContact CB-CG 4.5Å; L312-L361 HydrophobicContact CD2-CD2 4.29Å; F355-L361 HydrophobicContact CB-CD1 4.47Å; F355-L361 HydrophobicContact CB-CD2 4.05Å; V358-L361 HydrophobicContact CB-CB 4.41Å; V358-L361 HydrophobicContact CB-CD1 4.15Å; V358-L361 HydrophobicContact CG1-CB 4.47Å; V358-L361 HydrophobicContact CG1-CD1 4.07Å; V358-L361 WeakPolarHBondContact O-CB 3.29Å; P359-L361 PolarHBondContact O-N 3.09Å; P359-L361 VanDerWaalsContact O-N 3.11Å; L361-P388 HydrophobicContact CB-CB 4.34Å; L361-P388 HydrophobicContact CD2-CB 4.31Å; L361-P388 HydrophobicContact CG-CB 4.45Å; L361-P388 WeakPolarHBondContact O-CB 3.35Å; L361-P389 WeakPolarHBondContact O-CD 3.06Å
362	R	95.8	Very high	91.3	Very high	30 Å²	30	23.8 Å²	23.8	11%	0.113	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.4	172.3	-63.5	-167.8	167.7	-141.5	-9.3	109.9	P310 I311 L312 N360 P389 V423 Y424 G426 I646	P310-R362 PolarHBondContact O-N 3.06Å; I311-R362 CarbonylContact C-O 3.53Å; I311-R362 VanDerWaalsContact CA-O 3.27Å; I311-R362 WeakPolarHBondContact CA-O 3.42Å; I311-R362 WeakPolarHBondContact CG1-O 3.26Å; L312-R362 PolarHBondContact N-O 2.9Å; N360-R362 PolarHBondContact O-N 2.72Å; R362-P389 HydrophobicContact CG-CG 4.29Å; R362-V423 HydrophobicContact CB-CG1 3.91Å; R362-V423 VanDerWaalsContact CD-O 3.27Å; R362-V423 WeakPolarHBondContact CD-O 3.38Å; R362-V423 PolarHBondContact NH1-O 3.49Å; R362-Y424 PolarHBondContact NH1-O 3.44Å; R362-G426 PolarHBondContact NH1-O 3.26Å; R362-I646 HydrophobicContact CB-CD1 4.02Å; R362-I646 HydrophobicContact CG-CD1 4.11Å
363	I	98.4	Very high	91.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.4	177	-67.6	170.8	0	0	0	109.5	L312 F314 L352 V365 I375 I379 P388 P389 V390 A391	L312-I363 HydrophobicContact CB-CG1 4.46Å; L312-I363 CarbonylContact O-C 3.6Å; L312-I363 WeakPolarHBondContact O-CA 3.38Å; F314-I363 HydrophobicContact CD2-CG2 3.9Å; F314-I363 HydrophobicContact CE2-CG2 4.31Å; L352-I363 HydrophobicContact CD2-CD1 3.53Å; I363-V365 HydrophobicContact CG2-CG2 3.93Å; I363-I375 HydrophobicContact CG2-CG2 4.33Å; I363-I379 HydrophobicContact CD1-CD1 3.89Å; I363-P388 HydrophobicContact CD1-CB 3.88Å; I363-P388 HydrophobicContact CD1-CG 3.52Å; I363-P388 HydrophobicContact CG1-CB 4.19Å; I363-P388 HydrophobicContact CG1-CG 4.36Å; I363-P389 PolarHBondContact N-O 3.12Å; I363-V390 HydrophobicContact CB-CG2 4.15Å; I363-V390 HydrophobicContact CD1-CG2 4.38Å; I363-V390 HydrophobicContact CG2-CG1 4.28Å; I363-V390 HydrophobicContact CG2-CG2 4.31Å; I363-A391 WeakPolarHBondContact O-CB 3.47Å; I363-A391 PolarHBondContact O-N 3.23Å
364	L	98.6	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.6	170.5	176.1	62.6	0	0	0	110.5	I311 L312 V313 F314 F331 A391 L393 V419 V423	I311-L364 HydrophobicContact CD1-CB 3.92Å; I311-L364 HydrophobicContact CD1-CD2 4.06Å; I311-L364 HydrophobicContact CG1-CB 4.26Å; L312-L364 PolarHBondContact O-N 3.42Å; V313-L364 WeakPolarHBondContact CA-O 3.48Å; V313-L364 HydrophobicContact CG1-CD2 4.42Å; V313-L364 HydrophobicContact CG2-CB 4.39Å; V313-L364 HydrophobicContact CG2-CD2 4.36Å; F314-L364 PolarHBondContact N-O 3.05Å; F331-L364 HydrophobicContact CE1-CD2 3.75Å; F331-L364 HydrophobicContact CZ-CD2 3.63Å; L364-A391 HydrophobicContact CD1-CB 3.7Å; L364-L393 HydrophobicContact CD1-CB 4.14Å; L364-V419 HydrophobicContact CD2-CG1 3.92Å; L364-V423 HydrophobicContact CB-CG2 4.45Å; L364-V423 HydrophobicContact CD1-CG2 3.9Å; L364-V423 HydrophobicContact CD2-CG2 4.19Å; L364-V423 HydrophobicContact CG-CG2 4.41Å
365	V	98.1	Very high	92.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109.8	179.1	-175.9	0	0	0	0	110.2	F314 I363 G367 T371 V372 I375 V390 A391 L393	F314-V365 CarbonylContact O-C 3.55Å; F314-V365 WeakPolarHBondContact O-CA 3.19Å; I363-V365 HydrophobicContact CG2-CG2 3.93Å; V365-G367 PolarHBondContact O-N 2.85Å; V365-T371 HydrophobicContact CG1-CG2 3.86Å; V365-V372 HydrophobicContact CB-CG2 4.31Å; V365-V372 HydrophobicContact CG1-CG2 4.01Å; V365-I375 HydrophobicContact CG1-CG1 4.21Å; V365-I375 HydrophobicContact CG2-CB 4.07Å; V365-I375 HydrophobicContact CG2-CD1 4.32Å; V365-I375 HydrophobicContact CG2-CG1 3.72Å; V365-I375 HydrophobicContact CG2-CG2 3.96Å; V365-V390 HydrophobicContact CG2-CG1 3.66Å; V365-A391 PolarHBondContact N-O 3.22Å; V365-L393 PolarHBondContact O-N 3.15Å
366	C	96.8	Very high	92.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	88	174.2	-57.1	0	0	0	0	109.4	F314 L315 N316 L393 L395	F314-C366 PolarHBondContact O-N 2.68Å; L315-C366 HydrophobicContact CB-CB 4.01Å; L315-C366 HydrophobicContact CD1-CB 3.88Å; L315-C366 HydrophobicContact CG-CB 3.86Å; N316-C366 PolarHBondContact N-O 3.44Å; C366-L393 HydrophobicContact CB-CB 4.34Å; C366-L393 HydrophobicContact CB-CD2 4.38Å; C366-L395 HydrophobicContact CB-CD1 3.97Å
367	G	94.5	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	-164.7	-169.8	0	0	0	0	0	114.2	V365 L393 L395 G396	V365-G367 PolarHBondContact O-N 2.85Å; G367-L393 PolarHBondContact N-O 2.85Å; G367-L395 PolarHBondContact O-N 2.96Å; G367-G396 PolarHBondContact O-N 3.19Å
368	G	91.9	Very high	93.6	Very high	9 Å²	9	20.6 Å²	20.6	9%	0.093	12%	0.118	C	C	.	.			trans	-101.8	178.9	167.1	0	0	0	0	0	111.9	G370 T371 V372	G368-G370 PolarHBondContact O-N 2.85Å; G368-T371 WeakPolarHBondContact O-CA 3.26Å; G368-T371 VanDerWaalsContact O-CB 3.22Å; G368-T371 WeakPolarHBondContact O-CB 3.34Å; G368-T371 PolarHBondContact O-N 2.96Å; G368-V372 PolarHBondContact O-N 3.07Å
369	D	93.9	Very high	94	Very high	25 Å²	25	20.8 Å²	20.8	13%	0.134	12%	0.119	C	C	.	.	H	α-helix	trans	-53	-51.1	-172.7	-47.6	-88.9	0	0	0	112.5	T371 V372 G373 N399 D400 L401	D369-T371 VanDerWaalsContact C-N 3.25Å; D369-T371 PolarHBondContact O-N 3.34Å; D369-V372 WeakPolarHBondContact O-CA 3.49Å; D369-V372 WeakPolarHBondContact O-CB 3.5Å; D369-V372 PolarHBondContact O-N 3.01Å; D369-G373 PolarHBondContact O-N 2.78Å; D369-N399 VanDerWaalsContact OD1-C 3.25Å; D369-N399 VanDerWaalsContact OD1-CA 3.27Å; D369-N399 WeakPolarHBondContact OD1-CA 3.28Å; D369-N399 VanDerWaalsContact OD2-CA 3.25Å; D369-N399 WeakPolarHBondContact OD2-CA 3.36Å; D369-N399 PolarHBondContact OD2-N 2.84Å; D369-D400 PolarHBondContact OD1-N 2.8Å; D369-L401 PolarHBondContact OD1-N 3.25Å; D369-L401 VanDerWaalsContact OD1-N 3.12Å
370	G	92.7	Very high	94.4	Very high	35 Å²	35	22 Å²	22	36%	0.361	12%	0.123	S	C	.	.	H	α-helix	trans	-64.5	-18.8	173.8	0	0	0	0	0	115.7	G368 W374	G368-G370 PolarHBondContact O-N 2.85Å; G370-W374 WeakPolarHBondContact O-CB 3.2Å; G370-W374 PolarHBondContact O-N 2.85Å
371	T	94.7	Very high	94.4	Very high	14 Å²	14	25.2 Å²	25.2	9%	0.086	14%	0.139	C	C	.	.	H	α-helix	trans	-74.6	-31.9	168.5	-51.1	0	0	0	0	111.1	N316 V343 V365 G368 D369 I375	N316-T371 HydrophobicContact CB-CG2 3.86Å; N316-T371 PolarHBondContact ND2-OG1 2.76Å; V343-T371 HydrophobicContact CG2-CG2 4.4Å; V365-T371 HydrophobicContact CG1-CG2 3.86Å; G368-T371 WeakPolarHBondContact O-CA 3.26Å; G368-T371 VanDerWaalsContact O-CB 3.22Å; G368-T371 WeakPolarHBondContact O-CB 3.34Å; G368-T371 PolarHBondContact O-N 2.96Å; D369-T371 VanDerWaalsContact C-N 3.25Å; D369-T371 PolarHBondContact O-N 3.34Å; T371-I375 VanDerWaalsContact O-CG1 3.22Å; T371-I375 WeakPolarHBondContact O-CG1 3.4Å; T371-I375 PolarHBondContact O-N 3.08Å
372	V	96.8	Very high	93.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-72.8	-42.6	172	-162.6	0	0	0	0	110	V365 G368 D369 W374 I375 F376 V390 V392 L401	V365-V372 HydrophobicContact CB-CG2 4.31Å; V365-V372 HydrophobicContact CG1-CG2 4.01Å; G368-V372 PolarHBondContact O-N 3.07Å; D369-V372 WeakPolarHBondContact O-CA 3.49Å; D369-V372 WeakPolarHBondContact O-CB 3.5Å; D369-V372 PolarHBondContact O-N 3.01Å; V372-W374 PolarHBondContact O-N 3.45Å; V372-I375 WeakPolarHBondContact O-CA 3.39Å; V372-I375 WeakPolarHBondContact O-CB 3.33Å; V372-I375 PolarHBondContact O-N 3.39Å; V372-F376 HydrophobicContact CB-CE2 4.47Å; V372-F376 HydrophobicContact CG1-CD2 4.22Å; V372-F376 HydrophobicContact CG1-CE2 3.57Å; V372-F376 HydrophobicContact CG1-CZ 3.74Å; V372-F376 WeakPolarHBondContact O-CD2 3.48Å; V372-F376 PolarHBondContact O-N 2.85Å; V372-V390 HydrophobicContact CG1-CG1 3.95Å; V372-V392 HydrophobicContact CG1-CG2 3.93Å; V372-V392 HydrophobicContact CG2-CB 4.41Å; V372-V392 HydrophobicContact CG2-CG1 3.76Å; V372-V392 HydrophobicContact CG2-CG2 3.77Å; V372-L401 HydrophobicContact CB-CD2 4.26Å; V372-L401 HydrophobicContact CG1-CD2 3.97Å
373	G	95.8	Very high	92.5	Very high	9 Å²	9	32.8 Å²	32.8	9%	0.093	18%	0.181	C	C	.	.	H	α-helix	trans	-54.2	-47.2	173	0	0	0	0	0	113	D369 I375 F376 S377	D369-G373 PolarHBondContact O-N 2.78Å; G373-I375 VanDerWaalsContact C-N 3.28Å; G373-I375 PolarHBondContact O-N 2.95Å; G373-F376 PolarHBondContact O-N 2.79Å; G373-S377 PolarHBondContact O-N 3.11Å; G373-S377 PolarHBondContact O-OG 3.25Å
374	W	95.1	Very high	91.1	Very high	117 Å²	117	33.9 Å²	33.9	44%	0.443	19%	0.186	S	C	.	.	H	α-helix	trans	-61.3	-34	175.1	-176.9	23.9	0	0	0	113.3	V343 P348 G370 V372 T378	V343-W374 HydrophobicContact CB-CH2 4.36Å; V343-W374 HydrophobicContact CB-CZ3 3.87Å; V343-W374 HydrophobicContact CG2-CE3 4.49Å; V343-W374 HydrophobicContact CG2-CZ3 3.91Å; V343-W374 WeakPolarHBondContact O-CH2 3.33Å; P348-W374 HydrophobicContact CG-CD2 4.49Å; G370-W374 WeakPolarHBondContact O-CB 3.2Å; G370-W374 PolarHBondContact O-N 2.85Å; V372-W374 PolarHBondContact O-N 3.45Å; W374-T378 PolarHBondContact O-N 2.82Å; W374-T378 VanDerWaalsContact O-N 3.11Å; W374-T378 PolarHBondContact O-OG1 3.08Å
375	I	96.9	Very high	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-48.1	175.6	-68	-82.5	0	0	0	110	F314 P348 I363 V365 T371 V372 G373 T378 I379 V390	F314-I375 HydrophobicContact CB-CD1 3.73Å; F314-I375 HydrophobicContact CD1-CD1 4.1Å; F314-I375 HydrophobicContact CD2-CD1 3.55Å; F314-I375 HydrophobicContact CE2-CD1 4.15Å; F314-I375 HydrophobicContact CG-CD1 3.51Å; P348-I375 HydrophobicContact CB-CD1 3.45Å; P348-I375 VanDerWaalsContact CB-CD1 3.45Å; P348-I375 HydrophobicContact CG-CD1 3.91Å; I363-I375 HydrophobicContact CG2-CG2 4.33Å; V365-I375 HydrophobicContact CG1-CG1 4.21Å; V365-I375 HydrophobicContact CG2-CB 4.07Å; V365-I375 HydrophobicContact CG2-CD1 4.32Å; V365-I375 HydrophobicContact CG2-CG1 3.72Å; V365-I375 HydrophobicContact CG2-CG2 3.96Å; T371-I375 VanDerWaalsContact O-CG1 3.22Å; T371-I375 WeakPolarHBondContact O-CG1 3.4Å; T371-I375 PolarHBondContact O-N 3.08Å; V372-I375 WeakPolarHBondContact O-CA 3.39Å; V372-I375 WeakPolarHBondContact O-CB 3.33Å; V372-I375 PolarHBondContact O-N 3.39Å; G373-I375 VanDerWaalsContact C-N 3.28Å; G373-I375 PolarHBondContact O-N 2.95Å; I375-T378 PolarHBondContact O-N 2.74Å; I375-T378 VanDerWaalsContact O-N 3.13Å; I375-I379 HydrophobicContact CG2-CD1 4.04Å; I375-I379 WeakPolarHBondContact O-CG1 3.15Å; I375-I379 PolarHBondContact O-N 2.84Å; I375-V390 HydrophobicContact CG2-CG2 4.47Å
376	F	95.9	Very high	88.3	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-51.2	174.3	-60.4	-51.4	0	0	0	111.6	V372 G373 T378 I379 D380 V390 L401 L431 R433 N474 A643 V645	V372-F376 HydrophobicContact CB-CE2 4.47Å; V372-F376 HydrophobicContact CG1-CD2 4.22Å; V372-F376 HydrophobicContact CG1-CE2 3.57Å; V372-F376 HydrophobicContact CG1-CZ 3.74Å; V372-F376 WeakPolarHBondContact O-CD2 3.48Å; V372-F376 PolarHBondContact O-N 2.85Å; G373-F376 PolarHBondContact O-N 2.79Å; F376-T378 PolarHBondContact O-N 2.92Å; F376-I379 CarbonylContact O-C 3.57Å; F376-I379 WeakPolarHBondContact O-CA 3.29Å; F376-I379 WeakPolarHBondContact O-CB 3.12Å; F376-I379 PolarHBondContact O-N 3.12Å; F376-D380 PolarHBondContact O-N 2.93Å; F376-V390 HydrophobicContact CD1-CG2 4.14Å; F376-V390 HydrophobicContact CE1-CB 3.83Å; F376-V390 HydrophobicContact CE1-CG1 4.31Å; F376-V390 HydrophobicContact CE1-CG2 3.62Å; F376-V390 HydrophobicContact CZ-CB 4.3Å; F376-V390 HydrophobicContact CZ-CG1 4.5Å; F376-L401 HydrophobicContact CE2-CD2 4.28Å; F376-L431 HydrophobicContact CE2-CD2 3.94Å; F376-L431 HydrophobicContact CZ-CD2 4.02Å; F376-R433 VanDerWaalsContact CB-CZ 3.48Å; F376-N474 VanDerWaalsContact CD2-OD1 3.32Å; F376-N474 WeakPolarHBondContact CD2-OD1 3.35Å; F376-A643 HydrophobicContact CD1-CB 3.82Å; F376-A643 HydrophobicContact CE1-CB 3.78Å; F376-A643 HydrophobicContact CG-CB 4.47Å; F376-A643 HydrophobicContact CZ-CB 4.4Å; F376-V645 HydrophobicContact CE1-CG1 4Å; F376-V645 HydrophobicContact CZ-CG1 3.53Å
377	S	93.6	Very high	87.7	Confident	39 Å²	39	44.6 Å²	44.6	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-57.9	-17.9	175.9	-64.9	0	0	0	0	115.1	G373 D380 L381	G373-S377 PolarHBondContact O-N 3.11Å; G373-S377 PolarHBondContact O-OG 3.25Å; S377-D380 WeakPolarHBondContact CA-OD2 3.4Å; S377-L381 WeakPolarHBondContact O-CD1 3.25Å; S377-L381 VanDerWaalsContact O-CG 3.31Å; S377-L381 WeakPolarHBondContact O-CG 3.27Å
378	T	94	Very high	87.5	Confident	14 Å²	14	44.9 Å²	44.9	9%	0.086	25%	0.248	C	C	.	.	H	α-helix	trans	-92.4	-25	172.5	-46.7	0	0	0	0	112.6	P348 K349 L352 W374 I375 F376 M382	P348-T378 HydrophobicContact CG-CG2 4.06Å; P348-T378 WeakPolarHBondContact CG-OG1 2.98Å; K349-T378 HydrophobicContact CB-CG2 4.12Å; L352-T378 HydrophobicContact CD1-CG2 3.72Å; W374-T378 PolarHBondContact O-N 2.82Å; W374-T378 VanDerWaalsContact O-N 3.11Å; W374-T378 PolarHBondContact O-OG1 3.08Å; I375-T378 PolarHBondContact O-N 2.74Å; I375-T378 VanDerWaalsContact O-N 3.13Å; F376-T378 PolarHBondContact O-N 2.92Å; T378-M382 HydrophobicContact CG2-CE 4.2Å; T378-M382 WeakPolarHBondContact O-CG 3.44Å
379	I	92.1	Very high	87.7	Confident	11 Å²	11	45.3 Å²	45.3	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-40.7	168.5	-66.7	166	0	0	0	109.6	L352 I363 I375 F376 L381 M382 F384 I387 P388 V390	L352-I379 HydrophobicContact CD1-CG1 3.98Å; L352-I379 HydrophobicContact CD2-CD1 4.49Å; L352-I379 HydrophobicContact CD2-CG1 4.08Å; I363-I379 HydrophobicContact CD1-CD1 3.89Å; I375-I379 HydrophobicContact CG2-CD1 4.04Å; I375-I379 WeakPolarHBondContact O-CG1 3.15Å; I375-I379 PolarHBondContact O-N 2.84Å; F376-I379 CarbonylContact O-C 3.57Å; F376-I379 WeakPolarHBondContact O-CA 3.29Å; F376-I379 WeakPolarHBondContact O-CB 3.12Å; F376-I379 PolarHBondContact O-N 3.12Å; I379-L381 PolarHBondContact O-N 3.4Å; I379-M382 WeakPolarHBondContact O-CA 3.09Å; I379-M382 WeakPolarHBondContact O-CB 3.29Å; I379-M382 PolarHBondContact O-N 3.16Å; I379-F384 HydrophobicContact CB-CE2 4.4Å; I379-F384 HydrophobicContact CG1-CE2 4.17Å; I379-F384 HydrophobicContact CG2-CD2 3.9Å; I379-F384 HydrophobicContact CG2-CE2 4.15Å; I379-I387 HydrophobicContact CG2-CG2 4.39Å; I379-P388 HydrophobicContact CD1-CG 4.4Å; I379-V390 HydrophobicContact CD1-CG2 4.19Å
380	D	88.8	Confident	87.9	Confident	67 Å²	67	44.2 Å²	44.2	36%	0.358	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.7	177.6	-52.5	-14.5	0	0	0	113.2	F376 S377 M382 R433 H641	F376-D380 PolarHBondContact O-N 2.93Å; S377-D380 WeakPolarHBondContact CA-OD2 3.4Å; D380-M382 PolarHBondContact O-N 2.93Å; D380-R433 IonicContact OD1-CZ 3.99Å; D380-R433 IonicContact OD1-NH1 3.73Å; D380-R433 PolarHBondContact OD1-NH1 3.21Å; D380-R433 IonicContact OD1-NH2 3.79Å; D380-R433 IonicContact OD2-CZ 3.44Å; D380-R433 IonicContact OD2-NH1 2.74Å; D380-R433 PolarHBondContact OD2-NH1 3.33Å; D380-R433 VanDerWaalsContact OD2-NH1 3.09Å; D380-R433 IonicContact OD2-NH2 2.68Å; D380-R433 PolarHBondContact OD2-NH2 2.9Å; D380-H641 IonicContact OD1-NE2 2.72Å
381	L	86	Confident	88.1	Confident	148 Å²	148	42.5 Å²	42.5	78%	0.775	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	10.8	177.6	-65.4	172.4	0	0	0	112.3	S377 I379	S377-L381 WeakPolarHBondContact O-CD1 3.25Å; S377-L381 VanDerWaalsContact O-CG 3.31Å; S377-L381 WeakPolarHBondContact O-CG 3.27Å; I379-L381 PolarHBondContact O-N 3.4Å
382	M	79.4	Confident	88.2	Confident	32 Å²	32	42 Å²	42	16%	0.158	22%	0.223	C	C	.	.	S	Bend	trans	-131.1	129	180	-70.8	-174.9	180	0	0	111.3	K349 L352 E353 T378 I379 D380 F384	K349-M382 HydrophobicContact CB-CE 4.1Å; K349-M382 HydrophobicContact CG-CE 3.44Å; K349-M382 VanDerWaalsContact CG-CE 3.44Å; K349-M382 WeakPolarHBondContact O-CE 3.48Å; L352-M382 HydrophobicContact CB-CE 3.95Å; L352-M382 HydrophobicContact CB-SD 3.53Å; L352-M382 VanDerWaalsContact CB-SD 3.53Å; L352-M382 HydrophobicContact CD1-SD 4.47Å; E353-M382 HydrophobicContact CB-CE 3.98Å; T378-M382 HydrophobicContact CG2-CE 4.2Å; T378-M382 WeakPolarHBondContact O-CG 3.44Å; I379-M382 WeakPolarHBondContact O-CA 3.09Å; I379-M382 WeakPolarHBondContact O-CB 3.29Å; I379-M382 PolarHBondContact O-N 3.16Å; D380-M382 PolarHBondContact O-N 2.93Å; M382-F384 HydrophobicContact CB-CD2 3.61Å; M382-F384 HydrophobicContact CB-CE2 3.72Å; M382-F384 HydrophobicContact CG-CE2 4.35Å; M382-F384 PolarHBondContact O-N 2.86Å; M382-F384 HydrophobicContact SD-CE2 3.76Å; M382-F384 HydrophobicContact SD-CZ 4.38Å
383	N	68.5	Low	88.2	Confident	165 Å²	165	42 Å²	42	88%	0.882	22%	0.223	S	C	*	.			trans	-74.1	73	172.1	-60.4	-21.2	0	0	0	110.1
384	F	69.8	Low	88.2	Confident	23 Å²	23	41.8 Å²	41.8	10%	0.101	22%	0.22	C	C	.	.			trans	-69.9	122.5	169.4	-88.1	-89.8	0	0	0	109.7	L352 I379 M382 T386 P388	L352-F384 HydrophobicContact CB-CE2 4.38Å; L352-F384 HydrophobicContact CB-CZ 4.09Å; L352-F384 HydrophobicContact CD2-CZ 4.15Å; I379-F384 HydrophobicContact CB-CE2 4.4Å; I379-F384 HydrophobicContact CG1-CE2 4.17Å; I379-F384 HydrophobicContact CG2-CD2 3.9Å; I379-F384 HydrophobicContact CG2-CE2 4.15Å; M382-F384 HydrophobicContact CB-CD2 3.61Å; M382-F384 HydrophobicContact CB-CE2 3.72Å; M382-F384 HydrophobicContact CG-CE2 4.35Å; M382-F384 PolarHBondContact O-N 2.86Å; M382-F384 HydrophobicContact SD-CE2 3.76Å; M382-F384 HydrophobicContact SD-CZ 4.38Å; F384-T386 PolarHBondContact O-N 2.95Å; F384-P388 HydrophobicContact CD1-CG 4.07Å; F384-P388 HydrophobicContact CE1-CG 3.68Å; F384-P388 HydrophobicContact CZ-CG 4.04Å
385	N	64.7	Low	88.1	Confident	108 Å²	108	36.5 Å²	36.5	58%	0.578	20%	0.2	S	C	*	.	S	Bend	trans	-61.3	-31.8	172.1	-66.6	47.8	0	0	0	112.1
386	T	71.7	Confident	87.7	Confident	79 Å²	79	36.9 Å²	36.9	49%	0.485	20%	0.204	S	C	.	.	S	Bend	trans	-138.3	130.5	172.3	46.6	0	0	0	0	109.2	F384 P388	F384-T386 PolarHBondContact O-N 2.95Å; T386-P388 WeakPolarHBondContact O-CD 3.22Å
387	I	84.7	Confident	87.2	Confident	38 Å²	38	38.5 Å²	38.5	20%	0.195	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-75.4	119	-174.6	-61.6	172.8	0	0	0	109.8	I379 L644	I379-I387 HydrophobicContact CG2-CG2 4.39Å; I387-L644 HydrophobicContact CG2-CG 4.49Å
388	P	91.4	Very high	86.8	Confident	7 Å²	7	37.3 Å²	37.3	5%	0.045	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-77.2	126.3	-176.1	29.4	-34.9	0	0	0	112	L361 I363 I379 F384 T386	L361-P388 HydrophobicContact CB-CB 4.34Å; L361-P388 HydrophobicContact CD2-CB 4.31Å; L361-P388 HydrophobicContact CG-CB 4.45Å; L361-P388 WeakPolarHBondContact O-CB 3.35Å; I363-P388 HydrophobicContact CD1-CB 3.88Å; I363-P388 HydrophobicContact CD1-CG 3.52Å; I363-P388 HydrophobicContact CG1-CB 4.19Å; I363-P388 HydrophobicContact CG1-CG 4.36Å; I379-P388 HydrophobicContact CD1-CG 4.4Å; F384-P388 HydrophobicContact CD1-CG 4.07Å; F384-P388 HydrophobicContact CE1-CG 3.68Å; F384-P388 HydrophobicContact CZ-CG 4.04Å; T386-P388 WeakPolarHBondContact O-CD 3.22Å
389	P	94.9	Very high	86.8	Confident	18 Å²	18	36.7 Å²	36.7	12%	0.117	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-71.6	138.7	-175.4	28.6	-37.1	0	0	0	113.5	L361 R362 I363 V428 L644 I646	L361-P389 WeakPolarHBondContact O-CD 3.06Å; R362-P389 HydrophobicContact CG-CG 4.29Å; I363-P389 PolarHBondContact N-O 3.12Å; P389-V428 HydrophobicContact CB-CB 4.42Å; P389-V428 HydrophobicContact CB-CG1 3.69Å; P389-V428 HydrophobicContact CB-CG2 3.88Å; P389-V428 HydrophobicContact CG-CG1 4.27Å; P389-V428 HydrophobicContact CG-CG2 3.88Å; P389-L644 WeakPolarHBondContact CA-O 3.22Å; P389-L644 HydrophobicContact CB-CB 3.89Å; P389-I646 HydrophobicContact CB-CD1 4.31Å; P389-I646 HydrophobicContact CB-CG1 3.9Å; P389-I646 HydrophobicContact CG-CD1 4.4Å; P389-I646 HydrophobicContact CG-CG1 4.45Å
390	V	98.1	Very high	86.9	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.1	-170.3	-177.5	0	0	0	0	113	I363 V365 V372 I375 F376 I379 L644 V645 I646	I363-V390 HydrophobicContact CB-CG2 4.15Å; I363-V390 HydrophobicContact CD1-CG2 4.38Å; I363-V390 HydrophobicContact CG2-CG1 4.28Å; I363-V390 HydrophobicContact CG2-CG2 4.31Å; V365-V390 HydrophobicContact CG2-CG1 3.66Å; V372-V390 HydrophobicContact CG1-CG1 3.95Å; I375-V390 HydrophobicContact CG2-CG2 4.47Å; F376-V390 HydrophobicContact CD1-CG2 4.14Å; F376-V390 HydrophobicContact CE1-CB 3.83Å; F376-V390 HydrophobicContact CE1-CG1 4.31Å; F376-V390 HydrophobicContact CE1-CG2 3.62Å; F376-V390 HydrophobicContact CZ-CB 4.3Å; F376-V390 HydrophobicContact CZ-CG1 4.5Å; I379-V390 HydrophobicContact CD1-CG2 4.19Å; V390-L644 PolarHBondContact N-O 3.13Å; V390-V645 CarbonylContact O-C 3.57Å; V390-V645 VanDerWaalsContact O-CA 3.31Å; V390-V645 WeakPolarHBondContact O-CA 3.36Å; V390-I646 PolarHBondContact O-N 3Å
391	A	98.2	Very high	87.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	153	164.6	0	0	0	0	0	111.9	I363 L364 V365 W407 V423 I646	I363-A391 WeakPolarHBondContact O-CB 3.47Å; I363-A391 PolarHBondContact O-N 3.23Å; L364-A391 HydrophobicContact CD1-CB 3.7Å; V365-A391 PolarHBondContact N-O 3.22Å; A391-W407 HydrophobicContact CB-CH2 4.17Å; A391-W407 HydrophobicContact CB-CZ2 3.61Å; A391-V423 HydrophobicContact CB-CG1 4.28Å; A391-V423 HydrophobicContact CB-CG2 3.76Å; A391-I646 HydrophobicContact CB-CB 3.91Å; A391-I646 HydrophobicContact CB-CD1 4.01Å; A391-I646 HydrophobicContact CB-CG1 4.36Å; A391-I646 HydrophobicContact CB-CG2 4.41Å
392	V	96.8	Very high	87.8	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.5	-177.7	-175	0	0	0	0	110.8	V372 P394 L401 A402 L405 W407	V372-V392 HydrophobicContact CG1-CG2 3.93Å; V372-V392 HydrophobicContact CG2-CB 4.41Å; V372-V392 HydrophobicContact CG2-CG1 3.76Å; V372-V392 HydrophobicContact CG2-CG2 3.77Å; V392-P394 WeakPolarHBondContact O-CD 3.3Å; V392-L401 HydrophobicContact CG2-CD2 4.43Å; V392-A402 HydrophobicContact CB-CB 4.37Å; V392-A402 HydrophobicContact CG1-CB 3.93Å; V392-L405 HydrophobicContact CG2-CD1 4.48Å; V392-W407 VanDerWaalsContact O-CB 3.25Å; V392-W407 WeakPolarHBondContact O-CB 3.46Å
393	L	96.5	Very high	88.4	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.2	168.1	-170.3	69.8	0	0	0	109	L327 F331 L364 V365 C366 G367 L395 Y411 V419	L327-L393 HydrophobicContact CD1-CD2 3.79Å; L327-L393 HydrophobicContact CD2-CD2 3.99Å; F331-L393 HydrophobicContact CZ-CD2 4.38Å; L364-L393 HydrophobicContact CD1-CB 4.14Å; V365-L393 PolarHBondContact O-N 3.15Å; C366-L393 HydrophobicContact CB-CB 4.34Å; C366-L393 HydrophobicContact CB-CD2 4.38Å; G367-L393 PolarHBondContact N-O 2.85Å; L393-L395 PolarHBondContact O-N 2.85Å; L393-L395 VanDerWaalsContact O-N 3.09Å; L393-Y411 HydrophobicContact CD1-CD2 3.74Å; L393-Y411 HydrophobicContact CD1-CE2 4.29Å; L393-Y411 HydrophobicContact CD2-CD2 4.12Å; L393-Y411 HydrophobicContact CD2-CE2 4.29Å; L393-Y411 HydrophobicContact CG-CD2 4.09Å; L393-V419 HydrophobicContact CD1-CG1 3.87Å; L393-V419 HydrophobicContact CD1-CG2 3.81Å; L393-V419 HydrophobicContact CD2-CG1 4.47Å
394	P	94.9	Very high	89.6	Confident	4 Å²	4	20.1 Å²	20.1	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	100.6	-163.8	27	-34.6	0	0	0	113.8	V392 N399 A402 G410 Y411	V392-P394 WeakPolarHBondContact O-CD 3.3Å; P394-N399 HydrophobicContact CB-CB 3.63Å; P394-A402 HydrophobicContact CB-CB 3.67Å; P394-A402 HydrophobicContact CG-CB 4.11Å; P394-G410 CarbonylContact O-C 3.58Å; P394-G410 VanDerWaalsContact O-CA 3.31Å; P394-G410 WeakPolarHBondContact O-CA 3.29Å; P394-Y411 PolarHBondContact O-N 3.17Å
395	L	92.7	Very high	90.8	Very high	5 Å²	5	19 Å²	19	3%	0.026	11%	0.11	C	C	.	.			trans	-109.3	-6.9	176.5	-54.8	-172.7	0	0	0	113.9	S319 G320 L327 C366 G367 L393 Y411	S319-L395 VanDerWaalsContact CB-CB 3.41Å; S319-L395 WeakPolarHBondContact CB-O 3.48Å; G320-L395 PolarHBondContact N-O 2.92Å; L327-L395 HydrophobicContact CD1-CD1 3.9Å; L327-L395 HydrophobicContact CD1-CD2 3.83Å; L327-L395 HydrophobicContact CD1-CG 4.45Å; C366-L395 HydrophobicContact CB-CD1 3.97Å; G367-L395 PolarHBondContact O-N 2.96Å; L393-L395 PolarHBondContact O-N 2.85Å; L393-L395 VanDerWaalsContact O-N 3.09Å; L395-Y411 HydrophobicContact CD2-CD1 4.1Å; L395-Y411 HydrophobicContact CD2-CG 4.03Å
396	G	89.5	Confident	92.2	Very high	8 Å²	8	16.9 Å²	16.9	8%	0.082	10%	0.099	C	C	.	.	S	Bend	trans	-80.2	-169.6	-179.8	0	0	0	0	0	115.1	G367 N399 R503	G367-G396 PolarHBondContact O-N 3.19Å; G396-N399 WeakPolarHBondContact CA-OD1 3.37Å; G396-N399 PolarHBondContact N-OD1 3.45Å; G396-N399 PolarHBondContact O-ND2 2.74Å; G396-N399 PolarHBondContact O-OD1 3.47Å; G396-R503 WeakPolarHBondContact O-CD 3.23Å; G396-R503 PolarHBondContact O-NE 3.06Å
397	T	85.7	Confident	93.4	Very high	38 Å²	38	13.6 Å²	13.6	23%	0.233	8%	0.078	C	C	.	.	S	Bend	trans	-82.8	-62.6	-178.8	-54.1	0	0	0	0	112	R503 N506 K507	T397-R503 VanDerWaalsContact O-CZ 3.31Å; T397-R503 PolarHBondContact O-NE 3.09Å; T397-R503 PolarHBondContact O-NH2 2.94Å; T397-N506 HydrophobicContact CG2-CB 3.76Å; T397-K507 HydrophobicContact CG2-CB 4.44Å
398	G	85.1	Confident	93.6	Very high	13 Å²	13	13.1 Å²	13.1	13%	0.134	8%	0.082	C	C	.	.	S	Bend	trans	-69.2	-61.9	177.9	0	0	0	0	0	111.6	D400 R403 R503	G398-D400 VanDerWaalsContact C-N 3.31Å; G398-R403 PolarHBondContact O-NE 3.37Å; G398-R403 VanDerWaalsContact O-NE 3.09Å; G398-R403 PolarHBondContact O-NH2 3Å; G398-R503 PolarHBondContact O-NH2 3.46Å
399	N	92.8	Very high	93.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	10%	0.099	C	C	.	.			trans	58.6	43.3	-172.1	-51.2	-39.3	0	0	0	111.2	D369 P394 G396 A402 R403 S409 R503	D369-N399 VanDerWaalsContact OD1-C 3.25Å; D369-N399 VanDerWaalsContact OD1-CA 3.27Å; D369-N399 WeakPolarHBondContact OD1-CA 3.28Å; D369-N399 VanDerWaalsContact OD2-CA 3.25Å; D369-N399 WeakPolarHBondContact OD2-CA 3.36Å; D369-N399 PolarHBondContact OD2-N 2.84Å; P394-N399 HydrophobicContact CB-CB 3.63Å; G396-N399 WeakPolarHBondContact CA-OD1 3.37Å; G396-N399 PolarHBondContact N-OD1 3.45Å; G396-N399 PolarHBondContact O-ND2 2.74Å; G396-N399 PolarHBondContact O-OD1 3.47Å; N399-A402 HydrophobicContact CB-CB 4.12Å; N399-A402 PolarHBondContact O-N 3.12Å; N399-R403 WeakPolarHBondContact O-CD 3.49Å; N399-R403 VanDerWaalsContact O-CG 3.24Å; N399-R403 WeakPolarHBondContact O-CG 3.44Å; N399-R403 PolarHBondContact O-N 3.37Å; N399-R403 VanDerWaalsContact O-N 3.15Å; N399-R403 PolarHBondContact O-NE 3.12Å; N399-S409 PolarHBondContact ND2-O 2.93Å; N399-R503 PolarHBondContact ND2-NH2 2.81Å
400	D	95.2	Very high	93.3	Very high	16 Å²	16	15.4 Å²	15.4	9%	0.086	10%	0.101	C	C	.	.	H	α-helix	trans	-75.3	-35.1	-172.4	-73.3	-56.2	0	0	0	111.5	D369 G398 A402 R403 A404 I556 R558 S561 G562	D369-D400 PolarHBondContact OD1-N 2.8Å; G398-D400 VanDerWaalsContact C-N 3.31Å; D400-A402 PolarHBondContact O-N 3.44Å; D400-R403 WeakPolarHBondContact O-CB 3.43Å; D400-R403 PolarHBondContact O-N 3.37Å; D400-R403 WeakPolarHBondContact OD1-CD 3.47Å; D400-R403 IonicContact OD1-NE 3.17Å; D400-R403 PolarHBondContact OD1-NE 2.87Å; D400-A404 PolarHBondContact O-N 2.94Å; D400-A404 VanDerWaalsContact O-N 3.13Å; D400-I556 HydrophobicContact CB-CD1 4.24Å; D400-R558 HydrophobicContact CB-CB 4.04Å; D400-R558 WeakPolarHBondContact O-CB 3.42Å; D400-S561 VanDerWaalsContact OD1-C 3.3Å; D400-S561 WeakPolarHBondContact OD1-CA 3.39Å; D400-S561 PolarHBondContact OD1-N 2.94Å; D400-S561 WeakPolarHBondContact OD2-CA 3.48Å; D400-S561 PolarHBondContact OD2-N 2.68Å; D400-G562 WeakPolarHBondContact OD1-CA 3.42Å; D400-G562 PolarHBondContact OD1-N 3Å
401	L	96.1	Very high	93	Very high	1 Å²	1	16 Å²	16	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-46.2	168.3	-172.2	53.5	0	0	0	111.8	D369 V372 F376 V392 R403 A404 L405 L431 N475 I556	D369-L401 PolarHBondContact OD1-N 3.25Å; D369-L401 VanDerWaalsContact OD1-N 3.12Å; V372-L401 HydrophobicContact CB-CD2 4.26Å; V372-L401 HydrophobicContact CG1-CD2 3.97Å; F376-L401 HydrophobicContact CE2-CD2 4.28Å; V392-L401 HydrophobicContact CG2-CD2 4.43Å; L401-R403 PolarHBondContact O-N 2.93Å; L401-A404 PolarHBondContact O-N 3.18Å; L401-A404 VanDerWaalsContact O-N 3.12Å; L401-L405 HydrophobicContact CD1-CD1 3.95Å; L401-L405 HydrophobicContact CD1-CG 4.22Å; L401-L405 HydrophobicContact CG-CD1 3.94Å; L401-L405 WeakPolarHBondContact O-CB 3.47Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 3.03Å; L401-L431 HydrophobicContact CD1-CD1 4.41Å; L401-L431 HydrophobicContact CD1-CD2 4Å; L401-L431 HydrophobicContact CD2-CD2 4.4Å; L401-N475 WeakPolarHBondContact CB-OD1 3.44Å; L401-I556 HydrophobicContact CB-CD1 4.48Å; L401-I556 HydrophobicContact CD1-CG2 4.27Å
402	A	96.2	Very high	92.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-25.2	-180	0	0	0	0	0	113.1	V392 P394 N399 D400 N406 W407 G408	V392-A402 HydrophobicContact CB-CB 4.37Å; V392-A402 HydrophobicContact CG1-CB 3.93Å; P394-A402 HydrophobicContact CB-CB 3.67Å; P394-A402 HydrophobicContact CG-CB 4.11Å; N399-A402 HydrophobicContact CB-CB 4.12Å; N399-A402 PolarHBondContact O-N 3.12Å; D400-A402 PolarHBondContact O-N 3.44Å; A402-N406 PolarHBondContact O-N 3.17Å; A402-W407 HydrophobicContact CB-CB 4.1Å; A402-W407 WeakPolarHBondContact O-CA 3.1Å; A402-W407 PolarHBondContact O-N 3.5Å; A402-G408 PolarHBondContact O-N 3.11Å
403	R	94	Very high	91.9	Very high	48 Å²	48	27 Å²	27	18%	0.181	16%	0.16	C	C	.	.	H	α-helix	trans	-76.8	-38.8	172.6	-67.9	162.1	-160.8	-102.5	9.2	112.4	G398 N399 D400 L401 L405 N406 R558 S561	G398-R403 PolarHBondContact O-NE 3.37Å; G398-R403 VanDerWaalsContact O-NE 3.09Å; G398-R403 PolarHBondContact O-NH2 3Å; N399-R403 WeakPolarHBondContact O-CD 3.49Å; N399-R403 VanDerWaalsContact O-CG 3.24Å; N399-R403 WeakPolarHBondContact O-CG 3.44Å; N399-R403 PolarHBondContact O-N 3.37Å; N399-R403 VanDerWaalsContact O-N 3.15Å; N399-R403 PolarHBondContact O-NE 3.12Å; D400-R403 WeakPolarHBondContact O-CB 3.43Å; D400-R403 PolarHBondContact O-N 3.37Å; D400-R403 WeakPolarHBondContact OD1-CD 3.47Å; D400-R403 IonicContact OD1-NE 3.17Å; D400-R403 PolarHBondContact OD1-NE 2.87Å; L401-R403 PolarHBondContact O-N 2.93Å; R403-L405 VanDerWaalsContact C-N 3.27Å; R403-N406 PolarHBondContact O-N 2.83Å; R403-R558 HydrophobicContact CB-CB 4.31Å; R403-R558 HydrophobicContact CB-CG 3.77Å; R403-S561 VanDerWaalsContact CZ-C 3.47Å; R403-S561 PolarHBondContact NH1-O 3.17Å; R403-S561 PolarHBondContact NH2-O 3.08Å; R403-S561 VanDerWaalsContact NH2-O 3.16Å
404	A	93.6	Very high	91.6	Very high	11 Å²	11	28.6 Å²	28.6	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-35.7	173.2	0	0	0	0	0	111.1	D400 L401 N406 I556 R558	D400-A404 PolarHBondContact O-N 2.94Å; D400-A404 VanDerWaalsContact O-N 3.13Å; L401-A404 PolarHBondContact O-N 3.18Å; L401-A404 VanDerWaalsContact O-N 3.12Å; A404-N406 PolarHBondContact O-N 3.33Å; A404-I556 HydrophobicContact CB-CB 4.31Å; A404-R558 HydrophobicContact CB-CG 4.28Å
405	L	94.9	Very high	91.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	17.2	179.6	-60.2	-179.7	0	0	0	114.8	V392 L401 R403 W407 I429 I578 V645 Q647 K648	V392-L405 HydrophobicContact CG2-CD1 4.48Å; L401-L405 HydrophobicContact CD1-CD1 3.95Å; L401-L405 HydrophobicContact CD1-CG 4.22Å; L401-L405 HydrophobicContact CG-CD1 3.94Å; L401-L405 WeakPolarHBondContact O-CB 3.47Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 3.03Å; R403-L405 VanDerWaalsContact C-N 3.27Å; L405-W407 PolarHBondContact O-N 2.84Å; L405-I429 HydrophobicContact CD2-CD1 3.81Å; L405-I429 HydrophobicContact CD2-CG1 4.26Å; L405-I578 HydrophobicContact CD2-CD1 4.19Å; L405-V645 HydrophobicContact CD1-CB 3.81Å; L405-V645 HydrophobicContact CD1-CG1 4.35Å; L405-V645 HydrophobicContact CD1-CG2 3.92Å; L405-V645 HydrophobicContact CD2-CB 4.4Å; L405-V645 HydrophobicContact CD2-CG2 3.64Å; L405-V645 HydrophobicContact CG-CG2 4.44Å; L405-Q647 HydrophobicContact CD2-CB 4.38Å; L405-Q647 WeakPolarHBondContact O-CA 3.44Å; L405-K648 PolarHBondContact O-N 3.42Å
406	N	93.9	Very high	91.6	Very high	63 Å²	63	29.8 Å²	29.8	34%	0.337	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	4.7	178	-65.4	-26.9	0	0	0	117.4	A402 R403 A404 G408 Q647 K648 T650	A402-N406 PolarHBondContact O-N 3.17Å; R403-N406 PolarHBondContact O-N 2.83Å; A404-N406 PolarHBondContact O-N 3.33Å; N406-G408 PolarHBondContact O-N 3.32Å; N406-Q647 HydrophobicContact CB-CG 4.44Å; N406-K648 HydrophobicContact CB-CB 4.18Å; N406-K648 VanDerWaalsContact CB-O 3.27Å; N406-K648 WeakPolarHBondContact CB-O 3.01Å; N406-T650 HydrophobicContact CB-CG2 4.29Å
407	W	95.3	Very high	91.9	Very high	10 Å²	10	30.8 Å²	30.8	4%	0.038	18%	0.182	C	C	.	.	S	Bend	trans	-66.2	-16.1	170.1	-68.4	93.9	0	0	0	112.9	A391 V392 A402 L405 V419 V423 I646 K648	A391-W407 HydrophobicContact CB-CH2 4.17Å; A391-W407 HydrophobicContact CB-CZ2 3.61Å; V392-W407 VanDerWaalsContact O-CB 3.25Å; V392-W407 WeakPolarHBondContact O-CB 3.46Å; A402-W407 HydrophobicContact CB-CB 4.1Å; A402-W407 WeakPolarHBondContact O-CA 3.1Å; A402-W407 PolarHBondContact O-N 3.5Å; L405-W407 PolarHBondContact O-N 2.84Å; W407-V419 HydrophobicContact CZ3-CG1 4.36Å; W407-V423 HydrophobicContact CH2-CG2 3.61Å; W407-V423 HydrophobicContact CZ2-CG2 4.24Å; W407-V423 HydrophobicContact CZ3-CG2 4.46Å; W407-I646 HydrophobicContact CZ2-CG2 4.16Å; W407-I646 PolarHBondContact NE1-O 3.09Å; W407-K648 HydrophobicContact CD2-CB 3.96Å; W407-K648 HydrophobicContact CD2-CD 4.11Å; W407-K648 HydrophobicContact CE3-CB 4.44Å; W407-K648 HydrophobicContact CE3-CD 3.81Å; W407-K648 HydrophobicContact CG-CB 4.16Å; W407-K648 HydrophobicContact CZ2-CB 4.28Å; W407-K648 HydrophobicContact CZ3-CD 4.14Å
408	G	90.9	Very high	92.3	Very high	28 Å²	28	34 Å²	34	29%	0.289	19%	0.193	S	C	.	.			trans	93.6	-174.2	167.5	0	0	0	0	0	113.2	A402 N406 G410	A402-G408 PolarHBondContact O-N 3.11Å; N406-G408 PolarHBondContact O-N 3.32Å; G408-G410 VanDerWaalsContact C-N 3.35Å; G408-G410 PolarHBondContact O-N 2.74Å
409	S	89.9	Confident	92.8	Very high	58 Å²	58	33.4 Å²	33.4	41%	0.406	19%	0.186	S	C	.	.	S	Bend	trans	-69.9	-30	-170.6	81.4	0	0	0	0	113.6	N399 R503	N399-S409 PolarHBondContact ND2-O 2.93Å; S409-R503 PolarHBondContact O-NH1 2.71Å; S409-R503 PolarHBondContact O-NH2 3.38Å
410	G	89.6	Confident	93	Very high	14 Å²	14	33.4 Å²	33.4	14%	0.144	19%	0.186	C	C	.	.	S	Bend	trans	176.6	156.3	-172.4	0	0	0	0	0	112.4	P394 G408 I412	P394-G410 CarbonylContact O-C 3.58Å; P394-G410 VanDerWaalsContact O-CA 3.31Å; P394-G410 WeakPolarHBondContact O-CA 3.29Å; G408-G410 VanDerWaalsContact C-N 3.35Å; G408-G410 PolarHBondContact O-N 2.74Å; G410-I412 PolarHBondContact O-N 3.43Å
411	Y	90.3	Very high	93	Very high	15 Å²	15	36.2 Å²	36.2	6%	0.059	20%	0.201	C	C	.	.			trans	-69.8	114.5	179.8	-178.9	-110	0	0	0	112.4	Q323 L327 L393 P394 L395 D413 E414 V419	Q323-Y411 PolarHBondContact NE2-O 3.09Å; Q323-Y411 VanDerWaalsContact NE2-O 3.1Å; L327-Y411 HydrophobicContact CD1-CD1 3.98Å; L327-Y411 HydrophobicContact CD1-CE1 3.84Å; L327-Y411 HydrophobicContact CD1-CG 4.48Å; L327-Y411 HydrophobicContact CD2-CE1 3.99Å; L327-Y411 HydrophobicContact CD2-CE2 4.14Å; L327-Y411 WeakPolarHBondContact CD2-OH 3.35Å; L327-Y411 HydrophobicContact CG-CE1 3.97Å; L393-Y411 HydrophobicContact CD1-CD2 3.74Å; L393-Y411 HydrophobicContact CD1-CE2 4.29Å; L393-Y411 HydrophobicContact CD2-CD2 4.12Å; L393-Y411 HydrophobicContact CD2-CE2 4.29Å; L393-Y411 HydrophobicContact CG-CD2 4.09Å; P394-Y411 PolarHBondContact O-N 3.17Å; L395-Y411 HydrophobicContact CD2-CD1 4.1Å; L395-Y411 HydrophobicContact CD2-CG 4.03Å; Y411-D413 HydrophobicContact CE1-CB 4.06Å; Y411-D413 WeakPolarHBondContact CE1-OD1 3.39Å; Y411-D413 VanDerWaalsContact CZ-CA 3.45Å; Y411-D413 VanDerWaalsContact CZ-OD1 3.28Å; Y411-D413 PolarHBondContact OH-OD1 2.81Å; Y411-E414 HydrophobicContact CD2-CG 4.5Å; Y411-E414 HydrophobicContact CE2-CG 4.26Å; Y411-E414 WeakPolarHBondContact CE2-O 3.31Å; Y411-E414 PolarHBondContact OH-O 3.45Å; Y411-V419 HydrophobicContact CE2-CG2 4.45Å
412	I	87.3	Confident	93	Very high	149 Å²	149	36.8 Å²	36.8	76%	0.764	21%	0.205	S	C	*	.			trans	-99.6	26.8	-178.8	57.7	171.9	0	0	0	113.1	G410 E414	G410-I412 PolarHBondContact O-N 3.43Å; I412-E414 VanDerWaalsContact C-N 3.34Å; I412-E414 PolarHBondContact O-N 2.72Å
413	D	85.6	Confident	93.1	Very high	85 Å²	85	36.8 Å²	36.8	46%	0.455	21%	0.205	S	C	.	.			trans	57.4	35.6	-171.9	-135.3	-7	0	0	0	115.5	K330 Y411	K330-D413 IonicContact NZ-OD1 2.73Å; K330-D413 PolarHBondContact NZ-OD1 2.81Å; K330-D413 IonicContact NZ-OD2 3.7Å; Y411-D413 HydrophobicContact CE1-CB 4.06Å; Y411-D413 WeakPolarHBondContact CE1-OD1 3.39Å; Y411-D413 VanDerWaalsContact CZ-CA 3.45Å; Y411-D413 VanDerWaalsContact CZ-OD1 3.28Å; Y411-D413 PolarHBondContact OH-OD1 2.81Å
414	E	89.8	Confident	93.1	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.154	21%	0.21	C	C	.	.			trans	-62.1	147.3	168	72.4	174.3	164.9	0	0	111.2	Y411 I412 V416 K418 V419 K648	Y411-E414 HydrophobicContact CD2-CG 4.5Å; Y411-E414 HydrophobicContact CE2-CG 4.26Å; Y411-E414 WeakPolarHBondContact CE2-O 3.31Å; Y411-E414 PolarHBondContact OH-O 3.45Å; I412-E414 VanDerWaalsContact C-N 3.34Å; I412-E414 PolarHBondContact O-N 2.72Å; E414-V416 PolarHBondContact O-N 2.86Å; E414-K418 WeakPolarHBondContact OE2-CE 3.09Å; E414-K418 IonicContact OE2-NZ 2.72Å; E414-K418 PolarHBondContact OE2-NZ 2.96Å; E414-V419 HydrophobicContact CG-CG2 3.92Å; E414-K648 VanDerWaalsContact CD-NZ 3.32Å; E414-K648 IonicContact OE1-NZ 2.74Å; E414-K648 PolarHBondContact OE1-NZ 2.58Å; E414-K648 IonicContact OE2-NZ 3.73Å; E414-K648 PolarHBondContact OE2-NZ 2.89Å
415	S	93.5	Very high	93.1	Very high	27 Å²	27	42.3 Å²	42.3	19%	0.189	23%	0.229	C	C	.	.			trans	-56.2	137	-173	78.7	0	0	0	0	112.1	S417 K418 V419	S415-S417 PolarHBondContact O-N 3.35Å; S415-K418 WeakPolarHBondContact O-CB 3.47Å; S415-K418 PolarHBondContact O-N 2.69Å; S415-K418 WeakPolarHBondContact OG-CB 3.27Å; S415-K418 PolarHBondContact OG-N 3.48Å; S415-V419 PolarHBondContact O-N 3.11Å
416	V	94.5	Very high	93	Very high	8 Å²	8	42.3 Å²	42.3	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-25.9	179.8	174.3	0	0	0	0	111.1	L327 K330 F331 L334 E414 V419 L420	L327-V416 HydrophobicContact CD2-CG2 3.69Å; K330-V416 HydrophobicContact CB-CB 4.33Å; K330-V416 HydrophobicContact CB-CG2 3.7Å; K330-V416 HydrophobicContact CD-CG2 3.78Å; K330-V416 HydrophobicContact CG-CG2 4.34Å; F331-V416 HydrophobicContact CD1-CG1 3.56Å; F331-V416 HydrophobicContact CE1-CG1 3.4Å; F331-V416 HydrophobicContact CG-CG1 4.23Å; F331-V416 HydrophobicContact CZ-CG1 3.95Å; L334-V416 HydrophobicContact CD1-CB 4.31Å; L334-V416 HydrophobicContact CD1-CG1 3.98Å; E414-V416 PolarHBondContact O-N 2.86Å; V416-V419 PolarHBondContact O-N 3.37Å; V416-L420 HydrophobicContact CG1-CD1 4.19Å; V416-L420 HydrophobicContact CG1-CG 4.21Å; V416-L420 WeakPolarHBondContact O-CB 3.09Å; V416-L420 VanDerWaalsContact O-CG 3.26Å; V416-L420 WeakPolarHBondContact O-CG 3.09Å; V416-L420 PolarHBondContact O-N 3.33Å
417	S	94.9	Very high	92.6	Very high	29 Å²	29	41.4 Å²	41.4	20%	0.203	22%	0.221	C	C	.	.	H	α-helix	trans	-54.2	-51.4	167.3	-58.1	0	0	0	0	112.1	Y179 S415 V419 L420 N421	Y179-S417 WeakPolarHBondContact OH-CB 3.36Å; Y179-S417 PolarHBondContact OH-OG 3.09Å; S415-S417 PolarHBondContact O-N 3.35Å; S417-V419 PolarHBondContact O-N 2.91Å; S417-L420 PolarHBondContact O-N 3.16Å; S417-N421 PolarHBondContact O-N 2.88Å
418	K	94.9	Very high	92.3	Very high	106 Å²	106	41.8 Å²	41.8	46%	0.461	22%	0.224	S	C	.	.	H	α-helix	trans	-66.2	-35.2	176.9	-174.8	-176	176.3	-146	0	112.8	E414 S415 S422	E414-K418 WeakPolarHBondContact OE2-CE 3.09Å; E414-K418 IonicContact OE2-NZ 2.72Å; E414-K418 PolarHBondContact OE2-NZ 2.96Å; S415-K418 WeakPolarHBondContact O-CB 3.47Å; S415-K418 PolarHBondContact O-N 2.69Å; S415-K418 WeakPolarHBondContact OG-CB 3.27Å; S415-K418 PolarHBondContact OG-N 3.48Å; K418-S422 WeakPolarHBondContact O-CB 3.43Å; K418-S422 PolarHBondContact O-N 2.95Å; K418-S422 PolarHBondContact O-OG 3.14Å
419	V	96	Very high	92.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-49.7	171.7	176.5	0	0	0	0	110.6	L364 L393 W407 Y411 E414 S415 V416 S417 N421 S422 V423	L364-V419 HydrophobicContact CD2-CG1 3.92Å; L393-V419 HydrophobicContact CD1-CG1 3.87Å; L393-V419 HydrophobicContact CD1-CG2 3.81Å; L393-V419 HydrophobicContact CD2-CG1 4.47Å; W407-V419 HydrophobicContact CZ3-CG1 4.36Å; Y411-V419 HydrophobicContact CE2-CG2 4.45Å; E414-V419 HydrophobicContact CG-CG2 3.92Å; S415-V419 PolarHBondContact O-N 3.11Å; V416-V419 PolarHBondContact O-N 3.37Å; S417-V419 PolarHBondContact O-N 2.91Å; V419-N421 PolarHBondContact O-N 3.21Å; V419-S422 WeakPolarHBondContact O-CB 3.46Å; V419-S422 PolarHBondContact O-N 2.96Å; V419-V423 WeakPolarHBondContact O-CG2 3.25Å; V419-V423 PolarHBondContact O-N 3.35Å; V419-V423 VanDerWaalsContact O-N 3.08Å
420	L	97.2	Very high	92.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-43.1	179.2	-72.2	174.5	0	0	0	111.9	Y179 L182 I311 F331 L334 L335 V416 S417 S422 V423 Y424	Y179-L420 HydrophobicContact CD1-CB 4.46Å; Y179-L420 HydrophobicContact CD1-CD1 3.86Å; Y179-L420 HydrophobicContact CE1-CB 4.42Å; Y179-L420 HydrophobicContact CE1-CD1 3.9Å; L182-L420 HydrophobicContact CD1-CB 3.72Å; L182-L420 HydrophobicContact CD1-CD2 4.13Å; L182-L420 HydrophobicContact CD1-CG 4.35Å; I311-L420 HydrophobicContact CD1-CD2 3.58Å; I311-L420 HydrophobicContact CG2-CD2 4.36Å; F331-L420 HydrophobicContact CD1-CD2 4.28Å; F331-L420 HydrophobicContact CE1-CD2 3.99Å; F331-L420 HydrophobicContact CE1-CG 4.38Å; L334-L420 HydrophobicContact CB-CD1 4.27Å; L334-L420 HydrophobicContact CD1-CD1 3.88Å; L335-L420 HydrophobicContact CD1-CD2 4.24Å; L335-L420 HydrophobicContact CD2-CD1 4.28Å; L335-L420 HydrophobicContact CD2-CD2 4.27Å; V416-L420 HydrophobicContact CG1-CD1 4.19Å; V416-L420 HydrophobicContact CG1-CG 4.21Å; V416-L420 WeakPolarHBondContact O-CB 3.09Å; V416-L420 VanDerWaalsContact O-CG 3.26Å; V416-L420 WeakPolarHBondContact O-CG 3.09Å; V416-L420 PolarHBondContact O-N 3.33Å; S417-L420 PolarHBondContact O-N 3.16Å; L420-S422 VanDerWaalsContact C-N 3.33Å; L420-S422 PolarHBondContact O-N 3.45Å; L420-V423 PolarHBondContact O-N 3.44Å; L420-V423 VanDerWaalsContact O-N 3.14Å; L420-Y424 PolarHBondContact O-N 3.28Å
421	N	95.7	Very high	92.3	Very high	76 Å²	76	38.3 Å²	38.3	41%	0.406	19%	0.192	S	C	.	.	H	α-helix	trans	-61.4	-42.1	174.5	-157.4	71.4	0	0	0	111.8	S417 V419 V423 Y424 E425	S417-N421 PolarHBondContact O-N 2.88Å; V419-N421 PolarHBondContact O-N 3.21Å; N421-V423 PolarHBondContact O-N 3.1Å; N421-Y424 WeakPolarHBondContact O-CB 3.34Å; N421-Y424 PolarHBondContact O-N 3.47Å; N421-Y424 VanDerWaalsContact O-N 3.07Å; N421-E425 PolarHBondContact ND2-OE1 2.96Å; N421-E425 PolarHBondContact ND2-OE2 3.09Å; N421-E425 PolarHBondContact O-N 3.26Å
422	S	96	Very high	92.5	Very high	13 Å²	13	37.6 Å²	37.6	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-28.2	175.3	-57	0	0	0	0	113.3	K418 V419 L420 G426 K648	K418-S422 WeakPolarHBondContact O-CB 3.43Å; K418-S422 PolarHBondContact O-N 2.95Å; K418-S422 PolarHBondContact O-OG 3.14Å; V419-S422 WeakPolarHBondContact O-CB 3.46Å; V419-S422 PolarHBondContact O-N 2.96Å; L420-S422 VanDerWaalsContact C-N 3.33Å; L420-S422 PolarHBondContact O-N 3.45Å; S422-G426 VanDerWaalsContact O-CA 3.3Å; S422-G426 WeakPolarHBondContact O-CA 3.47Å; S422-G426 PolarHBondContact O-N 3.27Å; S422-G426 VanDerWaalsContact O-N 3.11Å; S422-K648 VanDerWaalsContact OG-CE 3.32Å; S422-K648 WeakPolarHBondContact OG-CE 3.42Å
423	V	96.4	Very high	92.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-78.5	-36	173	179.7	0	0	0	0	111.4	I311 R362 L364 A391 W407 V419 L420 N421 I646	I311-V423 HydrophobicContact CD1-CB 4.09Å; I311-V423 HydrophobicContact CD1-CG1 3.8Å; I311-V423 HydrophobicContact CD1-CG2 4.18Å; I311-V423 HydrophobicContact CG1-CG1 4.2Å; R362-V423 HydrophobicContact CB-CG1 3.91Å; R362-V423 VanDerWaalsContact CD-O 3.27Å; R362-V423 WeakPolarHBondContact CD-O 3.38Å; R362-V423 PolarHBondContact NH1-O 3.49Å; L364-V423 HydrophobicContact CB-CG2 4.45Å; L364-V423 HydrophobicContact CD1-CG2 3.9Å; L364-V423 HydrophobicContact CD2-CG2 4.19Å; L364-V423 HydrophobicContact CG-CG2 4.41Å; A391-V423 HydrophobicContact CB-CG1 4.28Å; A391-V423 HydrophobicContact CB-CG2 3.76Å; W407-V423 HydrophobicContact CH2-CG2 3.61Å; W407-V423 HydrophobicContact CZ2-CG2 4.24Å; W407-V423 HydrophobicContact CZ3-CG2 4.46Å; V419-V423 WeakPolarHBondContact O-CG2 3.25Å; V419-V423 PolarHBondContact O-N 3.35Å; V419-V423 VanDerWaalsContact O-N 3.08Å; L420-V423 PolarHBondContact O-N 3.44Å; L420-V423 VanDerWaalsContact O-N 3.14Å; N421-V423 PolarHBondContact O-N 3.1Å; V423-I646 HydrophobicContact CG1-CD1 3.97Å
424	Y	95	Very high	93.5	Very high	71 Å²	71	26.5 Å²	26.5	28%	0.278	13%	0.131	S	C	.	.	H	α-helix	trans	-68.4	-46.4	178.9	-176.5	-96.7	0	0	0	112.9	D181 L182 K309 R362 L420 N421	D181-Y424 HydrophobicContact CB-CD2 4.33Å; D181-Y424 HydrophobicContact CB-CE2 3.56Å; D181-Y424 WeakPolarHBondContact OD2-CE2 3.42Å; D181-Y424 PolarHBondContact OD2-OH 3.5Å; L182-Y424 HydrophobicContact CD2-CD2 3.8Å; L182-Y424 HydrophobicContact CD2-CG 4.48Å; L182-Y424 HydrophobicContact CG-CD2 4.44Å; K309-Y424 HydrophobicContact CB-CD2 4.09Å; K309-Y424 HydrophobicContact CB-CE2 4.27Å; K309-Y424 HydrophobicContact CD-CD2 3.7Å; K309-Y424 HydrophobicContact CD-CE2 3.8Å; K309-Y424 HydrophobicContact CD-CG 4.24Å; K309-Y424 WeakPolarHBondContact CD-O 3.47Å; K309-Y424 HydrophobicContact CG-CD2 4.38Å; K309-Y424 HydrophobicContact CG-CE2 4.29Å; K309-Y424 PolarHBondContact NZ-O 3.24Å; R362-Y424 PolarHBondContact NH1-O 3.44Å; L420-Y424 PolarHBondContact O-N 3.28Å; N421-Y424 WeakPolarHBondContact O-CB 3.34Å; N421-Y424 PolarHBondContact O-N 3.47Å; N421-Y424 VanDerWaalsContact O-N 3.07Å
425	E	93.4	Very high	93.8	Very high	103 Å²	103	27.4 Å²	27.4	48%	0.481	14%	0.135	S	C	.	.	H	α-helix	trans	-81.7	-25.3	179.8	-64.5	175.5	164.7	0	0	113.1	N421 L649	N421-E425 PolarHBondContact ND2-OE1 2.96Å; N421-E425 PolarHBondContact ND2-OE2 3.09Å; N421-E425 PolarHBondContact O-N 3.26Å; E425-L649 HydrophobicContact CB-CD1 4.22Å; E425-L649 WeakPolarHBondContact O-CD1 3.38Å
426	G	92.2	Very high	94	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-56	140.1	-167.9	0	0	0	0	0	114.7	R362 S422 V428 Q647	R362-G426 PolarHBondContact NH1-O 3.26Å; S422-G426 VanDerWaalsContact O-CA 3.3Å; S422-G426 WeakPolarHBondContact O-CA 3.47Å; S422-G426 PolarHBondContact O-N 3.27Å; S422-G426 VanDerWaalsContact O-N 3.11Å; G426-V428 PolarHBondContact O-N 3.02Å; G426-Q647 WeakPolarHBondContact CA-O 3.27Å
427	R	86.8	Confident	94	Very high	44 Å²	44	29.5 Å²	29.5	17%	0.166	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	119.6	-178.7	-174.6	-176.3	179.5	166.2	3.7	109.4	I429 I646 Q647 L649 I671 G672 Y673	R427-I429 HydrophobicContact CG-CG2 3.87Å; R427-I646 CarbonylContact O-C 3.44Å; R427-I646 WeakPolarHBondContact O-CA 3.36Å; R427-Q647 HydrophobicContact CB-CB 4.37Å; R427-Q647 PolarHBondContact N-O 2.84Å; R427-Q647 PolarHBondContact O-N 3.36Å; R427-L649 HydrophobicContact CB-CD2 4Å; R427-I671 PolarHBondContact NH2-O 2.84Å; R427-G672 VanDerWaalsContact NH2-C 3.35Å; R427-G672 PolarHBondContact NH2-O 3.04Å; R427-Y673 HydrophobicContact CB-CE1 4.41Å; R427-Y673 HydrophobicContact CG-CD1 4.26Å; R427-Y673 HydrophobicContact CG-CE1 3.33Å
428	V	89.3	Confident	94	Very high	17 Å²	17	29.9 Å²	29.9	10%	0.103	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.3	174.6	177	0	0	0	0	109.3	P389 G426 L644 V645 I646 Y673	P389-V428 HydrophobicContact CB-CB 4.42Å; P389-V428 HydrophobicContact CB-CG1 3.69Å; P389-V428 HydrophobicContact CB-CG2 3.88Å; P389-V428 HydrophobicContact CG-CG1 4.27Å; P389-V428 HydrophobicContact CG-CG2 3.88Å; G426-V428 PolarHBondContact O-N 3.02Å; V428-L644 HydrophobicContact CG1-CB 4.13Å; V428-L644 HydrophobicContact CG1-CD1 4.34Å; V428-V645 CarbonylContact C-O 3.55Å; V428-V645 WeakPolarHBondContact CA-O 3.42Å; V428-I646 HydrophobicContact CG2-CG1 4.36Å; V428-Y673 WeakPolarHBondContact O-CD1 3.32Å; V428-Y673 WeakPolarHBondContact O-CE1 3.44Å
429	I	86.9	Confident	94	Very high	22 Å²	22	31.5 Å²	31.5	11%	0.113	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	158.6	175.8	63.8	-179	0	0	0	110.4	L405 R427 I578 V645 Q647	L405-I429 HydrophobicContact CD2-CD1 3.81Å; L405-I429 HydrophobicContact CD2-CG1 4.26Å; R427-I429 HydrophobicContact CG-CG2 3.87Å; I429-I578 HydrophobicContact CD1-CD1 3.78Å; I429-I578 HydrophobicContact CG1-CD1 4.35Å; I429-V645 HydrophobicContact CG1-CG2 3.72Å; I429-V645 PolarHBondContact N-O 3.4Å; I429-V645 WeakPolarHBondContact O-CG2 3.43Å; I429-V645 PolarHBondContact O-N 3.45Å; I429-Q647 HydrophobicContact CD1-CB 4Å; I429-Q647 HydrophobicContact CG1-CB 4.44Å
430	A	89.3	Confident	93.8	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	156.9	170.5	0	0	0	0	0	111	D579 Q642 A643	A430-D579 HydrophobicContact CB-CB 4.02Å; A430-Q642 HydrophobicContact CB-CB 4.28Å; A430-A643 CarbonylContact C-O 3.59Å; A430-A643 WeakPolarHBondContact CA-O 3.46Å
431	L	93.5	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	115.3	169.7	172.8	65.3	0	0	0	107.2	F376 L401 N474 N555 I556 I578 Q642 A643 V645	F376-L431 HydrophobicContact CE2-CD2 3.94Å; F376-L431 HydrophobicContact CZ-CD2 4.02Å; L401-L431 HydrophobicContact CD1-CD1 4.41Å; L401-L431 HydrophobicContact CD1-CD2 4Å; L401-L431 HydrophobicContact CD2-CD2 4.4Å; L431-N474 HydrophobicContact CD2-CB 4.42Å; L431-N555 WeakPolarHBondContact CD1-ND2 3.19Å; L431-I556 HydrophobicContact CD1-CG2 4.01Å; L431-I578 CarbonylContact C-O 3.11Å; L431-I578 WeakPolarHBondContact CA-O 3.47Å; L431-I578 HydrophobicContact CD1-CB 4.18Å; L431-I578 HydrophobicContact CD1-CD1 4.19Å; L431-Q642 CarbonylContact O-C 3.51Å; L431-Q642 WeakPolarHBondContact O-CA 3.32Å; L431-A643 PolarHBondContact N-O 3.49Å; L431-A643 PolarHBondContact O-N 3.17Å; L431-V645 HydrophobicContact CB-CG1 4Å; L431-V645 HydrophobicContact CB-CG2 3.99Å; L431-V645 HydrophobicContact CD2-CG1 3.87Å
432	D	95	Very high	92.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	143.1	175.1	-69.3	-26.1	0	0	0	110.9	N555 I578 D579 D580 G581 Q642 R676	D432-N555 PolarHBondContact O-ND2 2.96Å; D432-I578 PolarHBondContact N-O 2.81Å; D432-D579 VanDerWaalsContact OD2-CA 3.22Å; D432-D579 WeakPolarHBondContact OD2-CA 3.45Å; D432-D579 PolarHBondContact OD2-N 3.26Å; D432-D580 PolarHBondContact OD2-N 3.01Å; D432-D580 VanDerWaalsContact OD2-N 3.11Å; D432-G581 VanDerWaalsContact OD2-CA 3.23Å; D432-G581 WeakPolarHBondContact OD2-CA 3.36Å; D432-G581 PolarHBondContact OD2-N 2.89Å; D432-Q642 WeakPolarHBondContact OD1-CG 3.02Å; D432-Q642 PolarHBondContact OD1-NE2 3.23Å; D432-R676 VanDerWaalsContact CG-NH2 3.26Å; D432-R676 IonicContact OD1-CZ 2.74Å; D432-R676 IonicContact OD1-NE 3.18Å; D432-R676 IonicContact OD1-NH2 3.61Å; D432-R676 PolarHBondContact OD1-NH2 2.99Å; D432-R676 IonicContact OD2-NH2 3.34Å; D432-R676 PolarHBondContact OD2-NH2 2.87Å
433	R	95.6	Very high	91.9	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.7	-177.6	-68.3	-175.7	63.2	-141.6	1.3	110.8	F376 D380 V472 N474 S640 H641 A643	F376-R433 VanDerWaalsContact CB-CZ 3.48Å; D380-R433 IonicContact OD1-CZ 3.99Å; D380-R433 IonicContact OD1-NH1 3.73Å; D380-R433 PolarHBondContact OD1-NH1 3.21Å; D380-R433 IonicContact OD1-NH2 3.79Å; D380-R433 IonicContact OD2-CZ 3.44Å; D380-R433 IonicContact OD2-NH1 2.74Å; D380-R433 PolarHBondContact OD2-NH1 3.33Å; D380-R433 VanDerWaalsContact OD2-NH1 3.09Å; D380-R433 IonicContact OD2-NH2 2.68Å; D380-R433 PolarHBondContact OD2-NH2 2.9Å; R433-V472 HydrophobicContact CB-CG1 3.84Å; R433-N474 WeakPolarHBondContact CD-OD1 3.37Å; R433-N474 PolarHBondContact NE-OD1 3Å; R433-S640 WeakPolarHBondContact O-CB 3.11Å; R433-S640 PolarHBondContact O-N 3.41Å; R433-H641 PolarHBondContact N-O 3.41Å; R433-H641 PolarHBondContact NH1-NE2 3.5Å; R433-A643 VanDerWaalsContact CD-CB 3.44Å; R433-A643 HydrophobicContact CG-CB 4.37Å
434	W	97.7	Very high	90.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.1	-162.6	-69.1	84	0	0	0	109.6	V472 F473 N555 G581 Y582 I583 R609 I637 F638 C639	W434-V472 CarbonylContact O-C 3.57Å; W434-V472 VanDerWaalsContact O-CA 3.27Å; W434-V472 WeakPolarHBondContact O-CA 3.48Å; W434-F473 HydrophobicContact CB-CD1 3.92Å; W434-F473 HydrophobicContact CB-CD2 4.09Å; W434-F473 HydrophobicContact CB-CE1 3.49Å; W434-F473 VanDerWaalsContact CB-CE1 3.49Å; W434-F473 HydrophobicContact CB-CE2 3.69Å; W434-F473 HydrophobicContact CB-CG 4.21Å; W434-F473 HydrophobicContact CB-CZ 3.38Å; W434-F473 HydrophobicContact CG-CE1 4.45Å; W434-F473 AromaticContact CG-CE2 3.98Å; W434-F473 HydrophobicContact CG-CE2 3.98Å; W434-F473 AromaticContact CG-CZ 3.87Å; W434-F473 HydrophobicContact CG-CZ 3.87Å; W434-F473 PolarHBondContact N-O 2.97Å; W434-F473 PolarHBondContact O-N 3.05Å; W434-N555 VanDerWaalsContact NE1-CG 3.3Å; W434-N555 PolarHBondContact NE1-OD1 2.98Å; W434-G581 WeakPolarHBondContact CH2-O 3.47Å; W434-Y582 WeakPolarHBondContact CZ2-O 3.43Å; W434-I583 HydrophobicContact CD2-CB 4.21Å; W434-I583 HydrophobicContact CD2-CD1 3.89Å; W434-I583 HydrophobicContact CD2-CG1 4.48Å; W434-I583 HydrophobicContact CE3-CB 4.07Å; W434-I583 HydrophobicContact CE3-CD1 4.46Å; W434-I583 HydrophobicContact CE3-CG2 4.4Å; W434-I583 HydrophobicContact CG-CD1 4.06Å; W434-I583 HydrophobicContact CH2-CB 3.64Å; W434-I583 HydrophobicContact CH2-CG2 4.08Å; W434-I583 HydrophobicContact CZ2-CB 3.78Å; W434-I583 HydrophobicContact CZ2-CD1 4.37Å; W434-I583 HydrophobicContact CZ3-CB 3.78Å; W434-I583 HydrophobicContact CZ3-CG2 3.9Å; W434-R609 WeakPolarHBondContact CZ3-O 3.33Å; W434-I637 HydrophobicContact CB-CG2 4.37Å; W434-I637 HydrophobicContact CE3-CG2 4.12Å; W434-F638 CarbonylContact C-O 3.55Å; W434-F638 WeakPolarHBondContact CA-O 3.42Å; W434-C639 HydrophobicContact CD2-CB 4.32Å; W434-C639 HydrophobicContact CE3-CB 4.2Å; W434-C639 HydrophobicContact CH2-CB 3.8Å; W434-C639 HydrophobicContact CZ2-CB 3.91Å; W434-C639 HydrophobicContact CZ3-CB 3.97Å
435	Q	96.5	Very high	88.5	Confident	53 Å²	53	51.8 Å²	51.8	25%	0.248	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	140.9	176.2	174.9	170.5	-13.6	0	0	109.6	N437 K471 V472 I637 F638 S640	Q435-N437 PolarHBondContact NE2-OD1 3.42Å; Q435-K471 WeakPolarHBondContact CA-O 3.32Å; Q435-V472 HydrophobicContact CB-CG2 4.33Å; Q435-I637 WeakPolarHBondContact O-CA 3.04Å; Q435-F638 HydrophobicContact CB-CE1 4.29Å; Q435-F638 HydrophobicContact CB-CE2 4.01Å; Q435-F638 HydrophobicContact CB-CZ 3.89Å; Q435-F638 VanDerWaalsContact CD-CZ 3.41Å; Q435-F638 HydrophobicContact CG-CE1 4.07Å; Q435-F638 HydrophobicContact CG-CE2 4.27Å; Q435-F638 HydrophobicContact CG-CZ 3.69Å; Q435-F638 PolarHBondContact N-O 3.24Å; Q435-F638 PolarHBondContact O-N 2.99Å; Q435-F638 VanDerWaalsContact O-N 3.12Å; Q435-S640 PolarHBondContact OE1-OG 2.91Å
436	V	96.8	Very high	86.6	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	112.2	176.5	-169.8	0	0	0	0	108.7	L468 K471 F473 M623 I635 D636 I637	V436-L468 HydrophobicContact CB-CD1 4.29Å; V436-L468 HydrophobicContact CG1-CD1 3.41Å; V436-L468 VanDerWaalsContact CG1-CD1 3.41Å; V436-K471 PolarHBondContact N-O 3.29Å; V436-F473 HydrophobicContact CG2-CD1 3.59Å; V436-F473 HydrophobicContact CG2-CE1 3.66Å; V436-M623 HydrophobicContact CB-SD 4.38Å; V436-M623 HydrophobicContact CG2-SD 4.05Å; V436-I635 HydrophobicContact CG1-CG2 3.43Å; V436-I635 VanDerWaalsContact CG1-CG2 3.43Å; V436-D636 WeakPolarHBondContact CA-O 3.41Å; V436-I637 HydrophobicContact CG1-CG1 4.32Å; V436-I637 HydrophobicContact CG2-CG1 4.38Å; V436-I637 HydrophobicContact CG2-CG2 4.23Å
437	N	95.2	Very high	84.4	Confident	72 Å²	72	56.1 Å²	56.1	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	139.4	168.8	-65.3	-18.2	0	0	0	108.2	Q435 I635 D636	Q435-N437 PolarHBondContact NE2-OD1 3.42Å; N437-I635 WeakPolarHBondContact O-CA 3.25Å; N437-D636 HydrophobicContact CB-CB 4.27Å; N437-D636 PolarHBondContact N-O 3.14Å; N437-D636 PolarHBondContact O-N 2.92Å
438	S	94.7	Very high	82.5	Confident	37 Å²	37	62.2 Å²	62.2	26%	0.259	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	129.2	-178	-178.4	0	0	0	0	110.7	K634	S438-K634 WeakPolarHBondContact CA-O 3.4Å
439	E	93.9	Very high	80.5	Confident	140 Å²	140	67 Å²	67	65%	0.654	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	126.5	177.3	-64.7	-175.3	170	0	0	110	S633 K634	E439-S633 CarbonylContact O-C 3.59Å; E439-S633 WeakPolarHBondContact O-CA 3.2Å; E439-S633 WeakPolarHBondContact O-CB 3.49Å; E439-K634 PolarHBondContact N-O 3.28Å; E439-K634 PolarHBondContact O-N 3.49Å
440	V	93.1	Very high	78.7	Confident	64 Å²	64	70 Å²	70	39%	0.388	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.2	176.9	-180	0	0	0	0	110.3	T442 D466 M631	V440-T442 PolarHBondContact O-N 2.85Å; V440-D466 HydrophobicContact CG2-CB 3.89Å; V440-D466 VanDerWaalsContact CG2-O 3.25Å; V440-D466 WeakPolarHBondContact CG2-O 3.34Å; V440-M631 HydrophobicContact CG1-CB 4.05Å; V440-M631 HydrophobicContact CG2-CB 4.39Å
441	R	89.9	Confident	76.6	Confident	38 Å²	38	73 Å²	73	14%	0.143	38%	0.383	C	S	.	.			trans	-72.7	114.9	-178.7	-78.1	-179.2	68.9	-179	2	112.4	D443 T615 D616 P632 K634	R441-D443 VanDerWaalsContact C-N 3.35Å; R441-D443 VanDerWaalsContact CB-OD1 3.29Å; R441-D443 WeakPolarHBondContact CB-OD1 3.35Å; R441-D443 IonicContact CZ-OD2 3.43Å; R441-D443 IonicContact NE-OD1 3.99Å; R441-D443 PolarHBondContact NE-OD1 2.8Å; R441-D443 VanDerWaalsContact NE-OD1 3.17Å; R441-D443 IonicContact NE-OD2 2.69Å; R441-D443 PolarHBondContact NE-OD2 2.91Å; R441-D443 IonicContact NH2-OD2 2.87Å; R441-D443 PolarHBondContact NH2-OD2 2.99Å; R441-T615 WeakPolarHBondContact CD-O 3.42Å; R441-T615 PolarHBondContact NH1-O 2.58Å; R441-D616 IonicContact CZ-OD1 3.14Å; R441-D616 IonicContact NH1-OD1 2.74Å; R441-D616 PolarHBondContact NH1-OD1 2.84Å; R441-D616 IonicContact NH2-OD1 2.65Å; R441-P632 HydrophobicContact CB-CB 4.49Å; R441-P632 WeakPolarHBondContact CB-O 3.36Å; R441-P632 PolarHBondContact N-O 3.43Å; R441-K634 HydrophobicContact CG-CG 4.35Å
442	T	79.8	Confident	74.1	Confident	145 Å²	145	78.8 Å²	78.8	89%	0.89	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-12	176.6	53.1	0	0	0	0	113.6	V440 F444	V440-T442 PolarHBondContact O-N 2.85Å; T442-F444 VanDerWaalsContact C-N 3.35Å
443	D	77.8	Confident	71.9	Confident	102 Å²	102	84.9 Å²	84.9	55%	0.545	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.8	176	60.1	-58.2	0	0	0	113.6	R441	R441-D443 VanDerWaalsContact C-N 3.35Å; R441-D443 VanDerWaalsContact CB-OD1 3.29Å; R441-D443 WeakPolarHBondContact CB-OD1 3.35Å; R441-D443 IonicContact CZ-OD2 3.43Å; R441-D443 IonicContact NE-OD1 3.99Å; R441-D443 PolarHBondContact NE-OD1 2.8Å; R441-D443 VanDerWaalsContact NE-OD1 3.17Å; R441-D443 IonicContact NE-OD2 2.69Å; R441-D443 PolarHBondContact NE-OD2 2.91Å; R441-D443 IonicContact NH2-OD2 2.87Å; R441-D443 PolarHBondContact NH2-OD2 2.99Å
444	F	64.6	Low	69.7	Low	68 Å²	68	88.5 Å²	88.5	30%	0.298	46%	0.455	S	S	.	.	S	Bend	trans	-100.4	124.3	-176.2	-118.3	-102.8	0	0	0	112.8	T442 T446 D616	T442-F444 VanDerWaalsContact C-N 3.35Å; F444-T446 PolarHBondContact O-N 2.97Å; F444-D616 WeakPolarHBondContact CE1-O 3.41Å; F444-D616 HydrophobicContact CZ-CB 4.11Å; F444-D616 WeakPolarHBondContact CZ-O 3.36Å
445	Q	55.5	Low	67.2	Low	170 Å²	170	96.3 Å²	96.3	79%	0.794	50%	0.497	S	S	*	.			trans	-78.4	108.1	173.2	-65	-172.8	11.9	0	0	110.3	T447	Q445-T447 PolarHBondContact O-N 3.04Å
446	T	53.8	Low	65	Low	74 Å²	74	97.4 Å²	97.4	45%	0.454	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-6.5	-171.5	-23.2	0	0	0	0	115	F444 Q448 M631	F444-T446 PolarHBondContact O-N 2.97Å; T446-Q448 PolarHBondContact O-N 3.46Å; T446-M631 HydrophobicContact CG2-CE 3.95Å; T446-M631 HydrophobicContact CG2-SD 3.46Å; T446-M631 WeakPolarHBondContact CG2-SD 3.34Å
447	T	46.8	Very low	62.7	Low	121 Å²	121	103.5 Å²	103.5	74%	0.742	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-7	-158.4	-23.6	0	0	0	0	115.9	Q445	Q445-T447 PolarHBondContact O-N 3.04Å
448	Q	46.2	Very low	60.6	Low	172 Å²	172	103.2 Å²	103.2	80%	0.804	54%	0.54	S	S	*	.	S	Bend	trans	-129.7	-0.5	-167.9	-70.5	-166.7	-5.6	0	0	117.7	T446	T446-Q448 PolarHBondContact O-N 3.46Å
449	Q	48.7	Very low	58.4	Low	117 Å²	117	102.2 Å²	102.2	55%	0.547	53%	0.533	S	S	.	.	S	Bend	trans	-125	9.2	-179.7	-74.2	-174.3	-23.6	0	0	115.2	T451	Q449-T451 PolarHBondContact O-N 2.86Å
450	L	49.1	Very low	56.3	Low	85 Å²	85	103.2 Å²	103.2	45%	0.445	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	13.2	179.7	-67.3	175.6	0	0	0	114.7	I464 V618	L450-I464 HydrophobicContact CD2-CD1 3.71Å; L450-V618 HydrophobicContact CD2-CG2 3.78Å
451	T	43.2	Very low	54.5	Low	67 Å²	67	107.8 Å²	107.8	41%	0.411	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-131.6	-13.5	-164.7	46.8	0	0	0	0	116.7	Q449 R460	Q449-T451 PolarHBondContact O-N 2.86Å; T451-R460 VanDerWaalsContact CG2-NH2 3.31Å
452	D	42.1	Very low	53.5	Low	122 Å²	122	108.9 Å²	108.9	65%	0.652	56%	0.557	S	S	*	*	S	Bend	trans	-106.1	-8.7	-155.6	-68.8	24	0	0	0	114.4
453	Y	48.5	Very low	53.4	Low	128 Å²	128	107.3 Å²	107.3	50%	0.502	55%	0.549	S	S	.	.	S	Bend	trans	-110.8	-7.3	-177.3	-75.4	-80.8	0	0	0	115.3	D525 H529 I617	Y453-D525 WeakPolarHBondContact CE1-OD2 3.26Å; Y453-D525 PolarHBondContact OH-OD2 2.88Å; Y453-H529 AromaticContact CZ-NE2 3.94Å; Y453-H529 PolarHBondContact OH-NE2 3.18Å; Y453-I617 HydrophobicContact CE2-CD1 4.37Å
454	E	49.6	Very low	53.9	Low	78 Å²	78	105.6 Å²	105.6	36%	0.364	54%	0.539	S	S	.	.			trans	-114.9	92.8	179	-62.5	-172.3	133.1	0	0	111.2	D456 T459 R629	E454-D456 PolarHBondContact O-N 3.37Å; E454-T459 HydrophobicContact CB-CG2 4.04Å; E454-T459 WeakPolarHBondContact CB-OG1 3.18Å; E454-T459 VanDerWaalsContact CD-CB 3.4Å; E454-T459 VanDerWaalsContact CD-OG1 3.24Å; E454-T459 HydrophobicContact CG-CG2 4.44Å; E454-T459 WeakPolarHBondContact OE2-CB 3.23Å; E454-T459 PolarHBondContact OE2-OG1 2.87Å; E454-R629 IonicContact OE1-CZ 3.09Å; E454-R629 IonicContact OE1-NE 3.97Å; E454-R629 PolarHBondContact OE1-NE 2.69Å; E454-R629 IonicContact OE1-NH2 2.64Å; E454-R629 PolarHBondContact OE1-NH2 2.71Å
455	D	45.6	Very low	55.1	Low	163 Å²	163	104.2 Å²	104.2	87%	0.872	54%	0.538	S	S	*	.			trans	-72	35.3	-173.8	-158.4	28.1	0	0	0	114.2
456	D	49.3	Very low	56.7	Low	76 Å²	76	101.1 Å²	101.1	41%	0.406	53%	0.527	S	S	.	.	S	Bend	trans	-157.5	121.8	-175.3	177.8	13.4	0	0	0	111.5	E454 S458 T459	E454-D456 PolarHBondContact O-N 3.37Å; D456-S458 VanDerWaalsContact CG-OG 3.23Å; D456-S458 PolarHBondContact O-N 3.32Å; D456-S458 WeakPolarHBondContact OD1-CB 3.31Å; D456-S458 PolarHBondContact OD1-N 2.71Å; D456-S458 VanDerWaalsContact OD1-N 3.08Å; D456-S458 WeakPolarHBondContact OD2-CB 3.39Å; D456-S458 PolarHBondContact OD2-OG 2.94Å; D456-T459 HydrophobicContact CB-CG2 4.36Å; D456-T459 PolarHBondContact O-N 3.31Å; D456-T459 PolarHBondContact O-OG1 3.16Å
457	D	48.7	Very low	58.5	Low	134 Å²	134	101.9 Å²	101.9	72%	0.717	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-17.4	176.9	-95.4	-35.1	0	0	0	113.3	T459	D457-T459 PolarHBondContact O-N 2.8Å
458	S	51.4	Low	60.7	Low	66 Å²	66	96.7 Å²	96.7	46%	0.462	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.5	174.9	91.6	0	0	0	0	115.4	D456 R462	D456-S458 VanDerWaalsContact CG-OG 3.23Å; D456-S458 PolarHBondContact O-N 3.32Å; D456-S458 WeakPolarHBondContact OD1-CB 3.31Å; D456-S458 PolarHBondContact OD1-N 2.71Å; D456-S458 VanDerWaalsContact OD1-N 3.08Å; D456-S458 WeakPolarHBondContact OD2-CB 3.39Å; D456-S458 PolarHBondContact OD2-OG 2.94Å; S458-R462 PolarHBondContact O-NE 3.02Å; S458-R462 PolarHBondContact OG-NH2 3.15Å
459	T	49.3	Very low	62.7	Low	16 Å²	16	91.3 Å²	91.3	10%	0.098	48%	0.479	C	S	.	.	S	Bend	trans	-105.2	-27.5	-174.5	77.9	0	0	0	0	115.2	E454 D456 D457 N461 R462	E454-T459 HydrophobicContact CB-CG2 4.04Å; E454-T459 WeakPolarHBondContact CB-OG1 3.18Å; E454-T459 VanDerWaalsContact CD-CB 3.4Å; E454-T459 VanDerWaalsContact CD-OG1 3.24Å; E454-T459 HydrophobicContact CG-CG2 4.44Å; E454-T459 WeakPolarHBondContact OE2-CB 3.23Å; E454-T459 PolarHBondContact OE2-OG1 2.87Å; D456-T459 HydrophobicContact CB-CG2 4.36Å; D456-T459 PolarHBondContact O-N 3.31Å; D456-T459 PolarHBondContact O-OG1 3.16Å; D457-T459 PolarHBondContact O-N 2.8Å; T459-N461 PolarHBondContact O-N 2.79Å; T459-R462 VanDerWaalsContact O-CB 3.27Å; T459-R462 WeakPolarHBondContact O-CB 3.19Å; T459-R462 VanDerWaalsContact O-CG 3.22Å; T459-R462 WeakPolarHBondContact O-CG 3.18Å; T459-R462 PolarHBondContact O-N 3.21Å
460	R	49.7	Very low	64.8	Low	162 Å²	162	88.5 Å²	88.5	61%	0.611	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-13.7	-170.9	-140.6	176.6	-167.3	157.6	4.6	115.6	T451	T451-R460 VanDerWaalsContact CG2-NH2 3.31Å
461	N	55.3	Low	66.9	Low	160 Å²	160	92.3 Å²	92.3	86%	0.856	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	11.8	178.3	-69.6	-28.8	0	0	0	113.7	T459	T459-N461 PolarHBondContact O-N 2.79Å
462	R	67.7	Low	69.4	Low	61 Å²	61	90 Å²	90	23%	0.23	47%	0.466	C	S	.	.	S	Bend	trans	-83.8	147.3	-176.8	-67.9	175.8	-173.1	-152.7	14.4	111.7	S458 T459 I464 E491 R629	S458-R462 PolarHBondContact O-NE 3.02Å; S458-R462 PolarHBondContact OG-NH2 3.15Å; T459-R462 VanDerWaalsContact O-CB 3.27Å; T459-R462 WeakPolarHBondContact O-CB 3.19Å; T459-R462 VanDerWaalsContact O-CG 3.22Å; T459-R462 WeakPolarHBondContact O-CG 3.18Å; T459-R462 PolarHBondContact O-N 3.21Å; R462-I464 PolarHBondContact O-N 3.45Å; R462-E491 IonicContact CZ-OE1 3.49Å; R462-E491 IonicContact CZ-OE2 3.21Å; R462-E491 IonicContact NE-OE1 2.69Å; R462-E491 IonicContact NH1-OE1 3.55Å; R462-E491 PolarHBondContact NH1-OE1 2.83Å; R462-E491 IonicContact NH1-OE2 2.73Å; R462-E491 PolarHBondContact NH1-OE2 2.77Å; R462-R629 VanDerWaalsContact CD-NH2 3.29Å
463	P	79.4	Confident	72	Confident	111 Å²	111	84.2 Å²	84.2	72%	0.721	44%	0.435	S	S	*	.			trans	-65.4	134.5	-179.3	27.1	-34.4	0	0	0	111.2
464	I	87.2	Confident	74.3	Confident	66 Å²	66	78.3 Å²	78.3	34%	0.338	41%	0.412	S	S	.	.			trans	-108.9	141.3	166.5	-53.4	171.9	0	0	0	106.3	L450 R462 V618 R629 M631	L450-I464 HydrophobicContact CD2-CD1 3.71Å; R462-I464 PolarHBondContact O-N 3.45Å; I464-V618 HydrophobicContact CD1-CG1 4.46Å; I464-V618 HydrophobicContact CG1-CG1 4.5Å; I464-V618 HydrophobicContact CG2-CG1 3.87Å; I464-V618 HydrophobicContact CG2-CG2 4.28Å; I464-R629 HydrophobicContact CG1-CB 4.49Å; I464-R629 HydrophobicContact CG2-CB 4.41Å; I464-M631 HydrophobicContact CB-CE 4.28Å; I464-M631 HydrophobicContact CG2-CE 3.76Å; I464-M631 HydrophobicContact CG2-CG 3.54Å; I464-M631 HydrophobicContact CG2-SD 4.27Å
465	S	89.9	Confident	76.5	Confident	40 Å²	40	74.8 Å²	74.8	28%	0.28	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-115.7	144.8	179.4	-162.4	0	0	0	0	111.6	V467 R629 L630 M631	S465-V467 PolarHBondContact OG-N 2.96Å; S465-V467 PolarHBondContact OG-O 3.45Å; S465-R629 PolarHBondContact N-O 3.19Å; S465-L630 CarbonylContact O-C 3.49Å; S465-L630 WeakPolarHBondContact O-CA 3.32Å; S465-M631 PolarHBondContact O-N 2.79Å
466	D	89.4	Confident	79	Confident	105 Å²	105	68.2 Å²	68.2	56%	0.561	36%	0.359	S	S	*	.	S	Bend	trans	-81.5	-16.6	167.1	52.6	-19.5	0	0	0	112.9	V440	V440-D466 HydrophobicContact CG2-CB 3.89Å; V440-D466 VanDerWaalsContact CG2-O 3.25Å; V440-D466 WeakPolarHBondContact CG2-O 3.34Å
467	V	90.7	Very high	81.3	Confident	89 Å²	89	64.6 Å²	64.6	54%	0.539	34%	0.34	S	S	.	.	S	Bend	trans	-127	144.2	-174.6	-173.1	0	0	0	0	111	S465	S465-V467 PolarHBondContact OG-N 2.96Å; S465-V467 PolarHBondContact OG-O 3.45Å
468	L	93.1	Very high	83.6	Confident	13 Å²	13	58.2 Å²	58.2	7%	0.068	31%	0.306	C	S	.	.			trans	-73.4	145.3	173.1	-77.8	174.5	0	0	0	111.5	V436 L470 F477 M621 M623 L630 I635	V436-L468 HydrophobicContact CB-CD1 4.29Å; V436-L468 HydrophobicContact CG1-CD1 3.41Å; V436-L468 VanDerWaalsContact CG1-CD1 3.41Å; L468-L470 PolarHBondContact O-N 2.71Å; L468-L470 VanDerWaalsContact O-N 3.14Å; L468-F477 HydrophobicContact CD2-CE2 4.21Å; L468-M621 HydrophobicContact CD2-CB 4.31Å; L468-M621 HydrophobicContact CD2-SD 4.14Å; L468-M623 HydrophobicContact CB-CE 3.72Å; L468-M623 HydrophobicContact CD1-CE 4.45Å; L468-M623 HydrophobicContact CD2-CE 4.27Å; L468-M623 HydrophobicContact CG-CE 4.39Å; L468-L630 HydrophobicContact CD2-CD1 4.08Å; L468-L630 HydrophobicContact CD2-CD2 3.9Å; L468-L630 HydrophobicContact CD2-CG 4.42Å; L468-L630 HydrophobicContact CG-CD1 4.05Å; L468-L630 HydrophobicContact CG-CD2 4.06Å; L468-I635 HydrophobicContact CD1-CG2 4.43Å
469	P	88.9	Confident	85.8	Confident	58 Å²	58	55.1 Å²	55.1	38%	0.377	28%	0.284	S	S	.	.	S	Bend	trans	-68.9	-14.3	-171	24.9	-34.4	0	0	0	115.3	M623 E626 C628	P469-M623 HydrophobicContact CG-CE 3.88Å; P469-E626 WeakPolarHBondContact CG-O 3.31Å; P469-C628 HydrophobicContact CG-CB 4.41Å
470	L	92.6	Very high	88	Confident	58 Å²	58	54.3 Å²	54.3	30%	0.304	28%	0.279	S	S	.	.			trans	-138.1	164.4	176.4	-60.6	174.3	0	0	0	108.9	L468 M623	L468-L470 PolarHBondContact O-N 2.71Å; L468-L470 VanDerWaalsContact O-N 3.14Å; L470-M623 HydrophobicContact CB-CE 3.71Å; L470-M623 HydrophobicContact CB-SD 4.08Å; L470-M623 HydrophobicContact CD1-CB 4.01Å; L470-M623 HydrophobicContact CG-CE 4.48Å; L470-M623 VanDerWaalsContact N-CE 3.33Å; L470-M623 WeakPolarHBondContact O-CE 3.27Å
471	K	92.6	Very high	90	Very high	166 Å²	166	46.9 Å²	46.9	72%	0.722	25%	0.252	S	S	*	.	S	Bend	trans	-104.4	-17.3	171.2	-66.8	-171.1	177.2	-173.1	0	113.9	Q435 V436	Q435-K471 WeakPolarHBondContact CA-O 3.32Å; V436-K471 PolarHBondContact N-O 3.29Å
472	V	95.5	Very high	91.8	Very high	19 Å²	19	39.6 Å²	39.6	12%	0.115	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	133.2	-176.6	-178.8	0	0	0	0	108.3	R433 W434 Q435	R433-V472 HydrophobicContact CB-CG1 3.84Å; W434-V472 CarbonylContact O-C 3.57Å; W434-V472 VanDerWaalsContact O-CA 3.27Å; W434-V472 WeakPolarHBondContact O-CA 3.48Å; Q435-V472 HydrophobicContact CB-CG2 4.33Å
473	F	97.2	Very high	93	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	157.4	170.4	72.2	-96.1	0	0	0	111.8	W434 V436 F477 F553 N555 I583 M623 I637	W434-F473 HydrophobicContact CB-CD1 3.92Å; W434-F473 HydrophobicContact CB-CD2 4.09Å; W434-F473 HydrophobicContact CB-CE1 3.49Å; W434-F473 VanDerWaalsContact CB-CE1 3.49Å; W434-F473 HydrophobicContact CB-CE2 3.69Å; W434-F473 HydrophobicContact CB-CG 4.21Å; W434-F473 HydrophobicContact CB-CZ 3.38Å; W434-F473 HydrophobicContact CG-CE1 4.45Å; W434-F473 AromaticContact CG-CE2 3.98Å; W434-F473 HydrophobicContact CG-CE2 3.98Å; W434-F473 AromaticContact CG-CZ 3.87Å; W434-F473 HydrophobicContact CG-CZ 3.87Å; W434-F473 PolarHBondContact N-O 2.97Å; W434-F473 PolarHBondContact O-N 3.05Å; V436-F473 HydrophobicContact CG2-CD1 3.59Å; V436-F473 HydrophobicContact CG2-CE1 3.66Å; F473-F477 HydrophobicContact CD1-CB 3.69Å; F473-F477 HydrophobicContact CE1-CB 3.44Å; F473-F477 VanDerWaalsContact CE1-CB 3.44Å; F473-F477 HydrophobicContact CE1-CG 4.41Å; F473-F477 HydrophobicContact CE2-CB 4.37Å; F473-F477 HydrophobicContact CG-CB 4.25Å; F473-F477 HydrophobicContact CZ-CB 3.81Å; F473-F553 HydrophobicContact CZ-CB 4.42Å; F473-N555 HydrophobicContact CE2-CB 4.49Å; F473-I583 HydrophobicContact CE2-CD1 3.8Å; F473-I583 HydrophobicContact CZ-CD1 3.89Å; F473-M623 HydrophobicContact CB-CB 4.04Å; F473-M623 HydrophobicContact CB-CG 4.22Å; F473-M623 HydrophobicContact CD1-CG 4.38Å; F473-I637 HydrophobicContact CE1-CG2 3.76Å; F473-I637 HydrophobicContact CZ-CG2 4.11Å
474	N	96.9	Very high	93.6	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	18%	0.177	C	C	.	.	S	Bend	trans	-117	-30.5	-171.5	-46.3	-86.9	0	0	0	111.4	F376 L431 R433 N555 D624	F376-N474 VanDerWaalsContact CD2-OD1 3.32Å; F376-N474 WeakPolarHBondContact CD2-OD1 3.35Å; L431-N474 HydrophobicContact CD2-CB 4.42Å; R433-N474 WeakPolarHBondContact CD-OD1 3.37Å; R433-N474 PolarHBondContact NE-OD1 3Å; N474-N555 PolarHBondContact O-ND2 3.24Å; N474-D624 WeakPolarHBondContact CB-OD2 3.36Å; N474-D624 PolarHBondContact N-OD1 3.32Å; N474-D624 PolarHBondContact N-OD2 2.99Å; N474-D624 PolarHBondContact ND2-OD2 3.31Å
475	N	97	Very high	93.8	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	16%	0.163	C	C	.	.	S	Bend	trans	-112.8	-56.2	-175.9	-43.8	-75.2	0	0	0	110.8	L401 N555 I556 D624	L401-N475 WeakPolarHBondContact CB-OD1 3.44Å; N475-N555 WeakPolarHBondContact O-CB 3.17Å; N475-N555 PolarHBondContact O-N 2.9Å; N475-I556 HydrophobicContact CB-CD1 3.75Å; N475-I556 HydrophobicContact CB-CG1 3.87Å; N475-I556 WeakPolarHBondContact OD1-CD1 3.09Å; N475-D624 WeakPolarHBondContact CA-OD1 3.47Å; N475-D624 WeakPolarHBondContact CB-OD1 3.32Å; N475-D624 PolarHBondContact N-OD1 2.74Å; N475-D624 PolarHBondContact ND2-OD1 3.07Å; N475-D624 PolarHBondContact ND2-OD2 2.82Å
476	Y	97.4	Very high	93.8	Very high	26 Å²	26	28.1 Å²	28.1	10%	0.102	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	157.4	179.2	71	-81.6	0	0	0	114.6	L552 F553 Y559 Q622 M623 D624	Y476-L552 HydrophobicContact CD2-CD1 3.43Å; Y476-L552 VanDerWaalsContact CD2-CD1 3.43Å; Y476-L552 HydrophobicContact CE2-CD1 4.29Å; Y476-L552 HydrophobicContact CG-CD1 3.84Å; Y476-F553 CarbonylContact C-O 3.59Å; Y476-F553 WeakPolarHBondContact CA-O 3.46Å; Y476-F553 VanDerWaalsContact CB-O 3.3Å; Y476-F553 WeakPolarHBondContact CB-O 3.4Å; Y476-Y559 HydrophobicContact CD1-CD2 4.41Å; Y476-Y559 HydrophobicContact CD2-CD2 4.44Å; Y476-Y559 HydrophobicContact CE1-CD2 4.29Å; Y476-Y559 HydrophobicContact CE2-CD2 4.3Å; Y476-Y559 HydrophobicContact CE2-CE2 4.14Å; Y476-Y559 HydrophobicContact CG-CD2 4.5Å; Y476-Q622 HydrophobicContact CE2-CG 4.02Å; Y476-Q622 PolarHBondContact OH-NE2 3.41Å; Y476-Q622 PolarHBondContact OH-OE1 2.83Å; Y476-M623 WeakPolarHBondContact O-CA 3.41Å; Y476-D624 PolarHBondContact N-OD1 2.96Å; Y476-D624 VanDerWaalsContact N-OD1 3.13Å; Y476-D624 PolarHBondContact O-N 2.88Å
477	F	98.1	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.2	161.4	170.3	-121.9	0	0	0	109.3	L468 F473 F553 L613 M621 Q622 M623 I635 I637	L468-F477 HydrophobicContact CD2-CE2 4.21Å; F473-F477 HydrophobicContact CD1-CB 3.69Å; F473-F477 HydrophobicContact CE1-CB 3.44Å; F473-F477 VanDerWaalsContact CE1-CB 3.44Å; F473-F477 HydrophobicContact CE1-CG 4.41Å; F473-F477 HydrophobicContact CE2-CB 4.37Å; F473-F477 HydrophobicContact CG-CB 4.25Å; F473-F477 HydrophobicContact CZ-CB 3.81Å; F477-F553 HydrophobicContact CB-CB 4.29Å; F477-F553 AromaticContact CD1-CD2 3.47Å; F477-F553 HydrophobicContact CD1-CD2 3.47Å; F477-F553 VanDerWaalsContact CD1-CD2 3.47Å; F477-F553 AromaticContact CD1-CE2 3.99Å; F477-F553 HydrophobicContact CD1-CE2 3.99Å; F477-F553 HydrophobicContact CD1-CG 4.25Å; F477-F553 HydrophobicContact CE1-CD2 4.08Å; F477-F553 HydrophobicContact CE1-CE2 4.13Å; F477-F553 HydrophobicContact CG-CD2 4.36Å; F477-F553 PolarHBondContact N-O 2.64Å; F477-F553 PolarHBondContact O-N 3.09Å; F477-L613 HydrophobicContact CE1-CD2 4.23Å; F477-M621 HydrophobicContact CE2-CB 3.96Å; F477-M621 HydrophobicContact CE2-CG 4.5Å; F477-M621 HydrophobicContact CE2-SD 4.07Å; F477-M621 HydrophobicContact CZ-CB 4.48Å; F477-M621 HydrophobicContact CZ-SD 3.69Å; F477-Q622 CarbonylContact C-O 3.35Å; F477-Q622 WeakPolarHBondContact CA-O 3.5Å; F477-Q622 WeakPolarHBondContact CD2-O 3.48Å; F477-M623 HydrophobicContact CB-CG 4.09Å; F477-M623 HydrophobicContact CD2-CG 3.46Å; F477-M623 VanDerWaalsContact CD2-CG 3.46Å; F477-M623 HydrophobicContact CD2-SD 4.36Å; F477-M623 HydrophobicContact CE2-CG 4.27Å; F477-M623 HydrophobicContact CG-CG 4.17Å; F477-I635 HydrophobicContact CE1-CG2 4.33Å; F477-I635 HydrophobicContact CZ-CD1 4.32Å; F477-I635 HydrophobicContact CZ-CG2 4.41Å; F477-I637 HydrophobicContact CD1-CD1 3.53Å; F477-I637 HydrophobicContact CD1-CG1 4.45Å; F477-I637 HydrophobicContact CE1-CD1 3.8Å
478	S	97.2	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	157.7	-179.9	59.6	0	0	0	0	112.8	D482 I551 M621 Q622	S478-D482 PolarHBondContact OG-OD2 3.28Å; S478-I551 VanDerWaalsContact CA-O 3.28Å; S478-I551 WeakPolarHBondContact CA-O 3.44Å; S478-M621 CarbonylContact O-C 3.51Å; S478-M621 VanDerWaalsContact O-CA 3.25Å; S478-M621 WeakPolarHBondContact O-CA 3.36Å; S478-Q622 PolarHBondContact N-O 2.79Å; S478-Q622 PolarHBondContact O-N 3.42Å; S478-Q622 WeakPolarHBondContact OG-CG 3.17Å
479	L	96.4	Very high	93.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.3	176	60.3	157.7	0	0	0	111.7	L526 I530 C550 I551 F553 L613 I619 P620 M621	L479-L526 HydrophobicContact CD1-CD1 4.23Å; L479-I530 HydrophobicContact CD1-CG2 4.26Å; L479-C550 WeakPolarHBondContact O-CA 3.34Å; L479-C550 PolarHBondContact O-SG 2.75Å; L479-I551 HydrophobicContact CD2-CB 3.85Å; L479-I551 HydrophobicContact CD2-CG2 4.22Å; L479-I551 HydrophobicContact CG-CB 4.3Å; L479-I551 PolarHBondContact N-O 2.79Å; L479-I551 PolarHBondContact O-N 2.72Å; L479-F553 HydrophobicContact CD2-CD2 4.35Å; L479-F553 HydrophobicContact CD2-CE2 3.68Å; L479-L613 HydrophobicContact CD1-CD2 4.12Å; L479-L613 HydrophobicContact CD2-CD2 3.99Å; L479-I619 HydrophobicContact CB-CG2 3.88Å; L479-I619 HydrophobicContact CD1-CG2 4.26Å; L479-P620 WeakPolarHBondContact CA-O 3.32Å; L479-M621 HydrophobicContact CB-CE 4.49Å; L479-M621 HydrophobicContact CB-CG 3.96Å
480	G	94.9	Very high	93.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.9	-139.9	179.5	0	0	0	0	0	114.2	D482 A483 A484 P620	G480-D482 PolarHBondContact O-N 3.46Å; G480-A483 PolarHBondContact O-N 2.92Å; G480-A484 PolarHBondContact O-N 3.2Å; G480-P620 PolarHBondContact N-O 2.94Å
481	A	92.5	Very high	93.4	Very high	5 Å²	5	22 Å²	22	4%	0.041	11%	0.108	C	C	.	.	H	α-helix	trans	-54.3	-40.5	-170	0	0	0	0	0	115.3	A484 T485 D517 H549 C550 L593	A481-A484 PolarHBondContact O-N 3.21Å; A481-T485 WeakPolarHBondContact O-CB 3.38Å; A481-T485 PolarHBondContact O-N 3.34Å; A481-T485 PolarHBondContact O-OG1 3.22Å; A481-D517 WeakPolarHBondContact CA-OD2 3.27Å; A481-D517 WeakPolarHBondContact CB-OD2 3.34Å; A481-H549 HydrophobicContact CB-CB 4.42Å; A481-H549 PolarHBondContact N-O 2.77Å; A481-C550 HydrophobicContact CB-CB 4.38Å; A481-L593 HydrophobicContact CB-CD1 4.33Å
482	D	92.2	Very high	93.1	Very high	7 Å²	7	15.6 Å²	15.6	4%	0.037	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-49.1	177.5	178.9	52.6	0	0	0	111.9	S478 G480 A484 T485 A486 Y510 C550 Y559 Q622	S478-D482 PolarHBondContact OG-OD2 3.28Å; G480-D482 PolarHBondContact O-N 3.46Å; D482-A484 PolarHBondContact O-N 2.86Å; D482-T485 WeakPolarHBondContact O-CB 3.34Å; D482-T485 PolarHBondContact O-N 3.4Å; D482-A486 PolarHBondContact O-N 3.04Å; D482-Y510 PolarHBondContact OD1-OH 3.4Å; D482-C550 HydrophobicContact CB-CB 4.31Å; D482-C550 WeakPolarHBondContact CB-SG 3.5Å; D482-Y559 PolarHBondContact OD1-OH 3.22Å; D482-Q622 VanDerWaalsContact CG-NE2 3.26Å; D482-Q622 PolarHBondContact OD1-NE2 2.91Å; D482-Q622 PolarHBondContact OD2-NE2 3.04Å
483	A	93.9	Very high	92.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-37.7	176.3	0	0	0	0	0	112.4	G480 T485 A486 L487 P620 M621 Q622	G480-A483 PolarHBondContact O-N 2.92Å; A483-T485 VanDerWaalsContact C-N 3.33Å; A483-T485 PolarHBondContact O-N 2.93Å; A483-A486 PolarHBondContact O-N 3.15Å; A483-L487 VanDerWaalsContact O-CB 3.24Å; A483-L487 WeakPolarHBondContact O-CB 3.37Å; A483-L487 PolarHBondContact O-N 3.33Å; A483-P620 VanDerWaalsContact CB-C 3.47Å; A483-P620 HydrophobicContact CB-CB 4.24Å; A483-P620 VanDerWaalsContact CB-O 3.25Å; A483-P620 WeakPolarHBondContact CB-O 3.33Å; A483-M621 VanDerWaalsContact CB-C 3.41Å; A483-M621 VanDerWaalsContact CB-CA 3.42Å; A483-Q622 HydrophobicContact CB-CB 4.3Å; A483-Q622 HydrophobicContact CB-CG 4.09Å
484	A	92.2	Very high	91.9	Very high	24 Å²	24	25 Å²	25	20%	0.198	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-41.4	173.6	0	0	0	0	0	111.7	G480 A481 D482 L487 Q488 P620	G480-A484 PolarHBondContact O-N 3.2Å; A481-A484 PolarHBondContact O-N 3.21Å; D482-A484 PolarHBondContact O-N 2.86Å; A484-L487 PolarHBondContact O-N 2.81Å; A484-Q488 PolarHBondContact O-N 3.34Å; A484-P620 HydrophobicContact CB-CB 4.33Å; A484-P620 HydrophobicContact CB-CG 3.99Å
485	T	90.7	Very high	91.3	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-44.3	174.7	-64.7	0	0	0	0	111.6	A481 D482 A483 F489 Y510 L513	A481-T485 WeakPolarHBondContact O-CB 3.38Å; A481-T485 PolarHBondContact O-N 3.34Å; A481-T485 PolarHBondContact O-OG1 3.22Å; D482-T485 WeakPolarHBondContact O-CB 3.34Å; D482-T485 PolarHBondContact O-N 3.4Å; A483-T485 VanDerWaalsContact C-N 3.33Å; A483-T485 PolarHBondContact O-N 2.93Å; T485-F489 WeakPolarHBondContact O-CB 3.41Å; T485-F489 PolarHBondContact O-N 2.78Å; T485-Y510 HydrophobicContact CG2-CD1 4.46Å; T485-Y510 HydrophobicContact CG2-CE1 4.04Å; T485-Y510 HydrophobicContact CG2-CE2 4.14Å; T485-L513 HydrophobicContact CG2-CB 4.04Å
486	A	91.5	Very high	90.7	Very high	5 Å²	5	30.7 Å²	30.7	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-39.6	176.4	0	0	0	0	0	112.8	D482 A483 F489 H490 Y510 Q622 P627	D482-A486 PolarHBondContact O-N 3.04Å; A483-A486 PolarHBondContact O-N 3.15Å; A486-F489 WeakPolarHBondContact O-CB 3.38Å; A486-F489 PolarHBondContact O-N 3.48Å; A486-H490 WeakPolarHBondContact O-CB 3.49Å; A486-H490 PolarHBondContact O-N 3.36Å; A486-Y510 HydrophobicContact CB-CE2 4.32Å; A486-Q622 HydrophobicContact CB-CG 4.37Å; A486-P627 HydrophobicContact CB-CB 4.32Å
487	L	91.5	Very high	89.9	Confident	19 Å²	19	33.5 Å²	33.5	10%	0.099	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-47.9	177.1	-173.1	56	0	0	0	111.8	A483 A484 F489 H490 E491 P627 R629	A483-L487 VanDerWaalsContact O-CB 3.24Å; A483-L487 WeakPolarHBondContact O-CB 3.37Å; A483-L487 PolarHBondContact O-N 3.33Å; A484-L487 PolarHBondContact O-N 2.81Å; L487-F489 VanDerWaalsContact C-N 3.27Å; L487-F489 PolarHBondContact O-N 2.8Å; L487-H490 WeakPolarHBondContact O-CB 3.24Å; L487-H490 PolarHBondContact O-N 3.09Å; L487-H490 VanDerWaalsContact O-N 3.09Å; L487-E491 VanDerWaalsContact O-CG 3.31Å; L487-E491 WeakPolarHBondContact O-CG 3.42Å; L487-E491 PolarHBondContact O-N 2.81Å; L487-P627 HydrophobicContact CB-CB 3.95Å; L487-P627 HydrophobicContact CB-CG 4.17Å; L487-P627 HydrophobicContact CD1-CB 4.06Å; L487-P627 HydrophobicContact CD1-CG 3.85Å; L487-R629 HydrophobicContact CD2-CG 3.74Å; L487-R629 VanDerWaalsContact CD2-NH1 3.32Å
488	Q	89.9	Confident	89.2	Confident	79 Å²	79	38.6 Å²	38.6	37%	0.369	21%	0.208	S	C	.	.	H	α-helix	trans	-64.7	-31.7	174.9	-172.8	174.8	61	0	0	112.3	A484 S492 L513	A484-Q488 PolarHBondContact O-N 3.34Å; Q488-S492 VanDerWaalsContact O-CB 3.27Å; Q488-S492 WeakPolarHBondContact O-CB 3.22Å; Q488-S492 PolarHBondContact O-N 3.25Å; Q488-S492 VanDerWaalsContact O-N 3.16Å; Q488-S492 PolarHBondContact O-OG 2.98Å; Q488-L513 HydrophobicContact CB-CD1 3.99Å; Q488-L513 HydrophobicContact CG-CD1 3.81Å; Q488-L513 HydrophobicContact CG-CD2 4.47Å
489	F	88.6	Confident	88.4	Confident	19 Å²	19	44.2 Å²	44.2	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-42.6	170.7	-179.8	-88	0	0	0	111.7	T485 A486 L487 S492 R493 F500 N506 F509 Y510 L513	T485-F489 WeakPolarHBondContact O-CB 3.41Å; T485-F489 PolarHBondContact O-N 2.78Å; A486-F489 WeakPolarHBondContact O-CB 3.38Å; A486-F489 PolarHBondContact O-N 3.48Å; L487-F489 VanDerWaalsContact C-N 3.27Å; L487-F489 PolarHBondContact O-N 2.8Å; F489-S492 PolarHBondContact O-N 2.78Å; F489-R493 VanDerWaalsContact O-CB 3.29Å; F489-R493 WeakPolarHBondContact O-CB 3.18Å; F489-R493 PolarHBondContact O-N 2.85Å; F489-F500 HydrophobicContact CD2-CE1 4.18Å; F489-F500 HydrophobicContact CE2-CD1 4.04Å; F489-F500 AromaticContact CE2-CE1 3.65Å; F489-F500 HydrophobicContact CE2-CE1 3.65Å; F489-F500 AromaticContact CZ-CD1 3.87Å; F489-F500 HydrophobicContact CZ-CD1 3.87Å; F489-F500 AromaticContact CZ-CE1 3.9Å; F489-F500 HydrophobicContact CZ-CE1 3.9Å; F489-N506 HydrophobicContact CE2-CB 4.49Å; F489-N506 WeakPolarHBondContact CE2-O 3.41Å; F489-N506 HydrophobicContact CZ-CB 4.22Å; F489-F509 AromaticContact CD2-CD1 3.77Å; F489-F509 HydrophobicContact CD2-CD1 3.77Å; F489-F509 HydrophobicContact CD2-CE1 4.36Å; F489-F509 HydrophobicContact CE2-CD1 4.08Å; F489-Y510 HydrophobicContact CB-CD2 3.94Å; F489-Y510 HydrophobicContact CB-CE2 4.4Å; F489-Y510 HydrophobicContact CD1-CD2 4.39Å; F489-Y510 AromaticContact CD2-CD2 3.71Å; F489-Y510 HydrophobicContact CD2-CD2 3.71Å; F489-Y510 HydrophobicContact CD2-CG 4.22Å; F489-Y510 HydrophobicContact CE2-CD2 4.34Å; F489-Y510 AromaticContact CG-CD2 3.76Å; F489-Y510 HydrophobicContact CG-CD2 3.76Å; F489-L513 HydrophobicContact CB-CD1 4.08Å
490	H	86.8	Confident	87.7	Confident	28 Å²	28	45.2 Å²	45.2	13%	0.13	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-54.3	179.3	-162	-77.1	0	0	0	112.1	A486 L487 S492 R493 E494 E626 P627	A486-H490 WeakPolarHBondContact O-CB 3.49Å; A486-H490 PolarHBondContact O-N 3.36Å; L487-H490 WeakPolarHBondContact O-CB 3.24Å; L487-H490 PolarHBondContact O-N 3.09Å; L487-H490 VanDerWaalsContact O-N 3.09Å; H490-S492 PolarHBondContact O-N 3.48Å; H490-R493 PolarHBondContact CD2-NH2 2.88Å; H490-R493 PolarHBondContact NE2-NH2 3.31Å; H490-R493 WeakPolarHBondContact O-CA 3.2Å; H490-R493 WeakPolarHBondContact O-CB 3.44Å; H490-R493 PolarHBondContact O-N 3.2Å; H490-E494 IonicContact CE1-OE1 2.81Å; H490-E494 PolarHBondContact CE1-OE1 3.34Å; H490-E494 IonicContact CE1-OE2 3.85Å; H490-E494 PolarHBondContact CE1-OE2 2.98Å; H490-E494 IonicContact ND1-OE1 3.39Å; H490-E494 IonicContact ND1-OE2 3.7Å; H490-E494 PolarHBondContact ND1-OE2 2.61Å; H490-E494 PolarHBondContact O-N 3.19Å; H490-E626 IonicContact CD2-OE2 2.75Å; H490-E626 IonicContact NE2-OE2 2.66Å; H490-E626 PolarHBondContact NE2-OE2 3.43Å; H490-P627 HydrophobicContact CB-CG 3.75Å
491	E	88.2	Confident	86.9	Confident	51 Å²	51	48.9 Å²	48.9	24%	0.238	26%	0.257	C	S	.	.	H	α-helix	trans	-51.2	-43.2	175	-66.7	166.4	165	0	0	111	R462 L487 A495 R629	R462-E491 IonicContact CZ-OE1 3.49Å; R462-E491 IonicContact CZ-OE2 3.21Å; R462-E491 IonicContact NE-OE1 2.69Å; R462-E491 IonicContact NH1-OE1 3.55Å; R462-E491 PolarHBondContact NH1-OE1 2.83Å; R462-E491 IonicContact NH1-OE2 2.73Å; R462-E491 PolarHBondContact NH1-OE2 2.77Å; L487-E491 VanDerWaalsContact O-CG 3.31Å; L487-E491 WeakPolarHBondContact O-CG 3.42Å; L487-E491 PolarHBondContact O-N 2.81Å; E491-A495 WeakPolarHBondContact O-CB 3.3Å; E491-A495 PolarHBondContact O-N 3.25Å; E491-A495 VanDerWaalsContact O-N 3.14Å; E491-R629 IonicContact OE1-CZ 2.73Å; E491-R629 IonicContact OE1-NH1 3.11Å; E491-R629 PolarHBondContact OE1-NH1 3.47Å; E491-R629 IonicContact OE1-NH2 2.69Å
492	S	86.5	Confident	86.4	Confident	30 Å²	30	50.5 Å²	50.5	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-38.5	177.6	-61.1	0	0	0	0	113.3	Q488 F489 H490 N496 F500	Q488-S492 VanDerWaalsContact O-CB 3.27Å; Q488-S492 WeakPolarHBondContact O-CB 3.22Å; Q488-S492 PolarHBondContact O-N 3.25Å; Q488-S492 VanDerWaalsContact O-N 3.16Å; Q488-S492 PolarHBondContact O-OG 2.98Å; F489-S492 PolarHBondContact O-N 2.78Å; H490-S492 PolarHBondContact O-N 3.48Å; S492-N496 PolarHBondContact O-N 3.08Å; S492-F500 VanDerWaalsContact O-CE2 3.31Å; S492-F500 WeakPolarHBondContact O-CE2 3.35Å
493	R	84.3	Confident	85.9	Confident	89 Å²	89	53 Å²	53	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-42	179.5	177.1	178.9	78.4	171.5	5.8	111.5	F489 H490 P497 F500 E626	F489-R493 VanDerWaalsContact O-CB 3.29Å; F489-R493 WeakPolarHBondContact O-CB 3.18Å; F489-R493 PolarHBondContact O-N 2.85Å; H490-R493 PolarHBondContact CD2-NH2 2.88Å; H490-R493 PolarHBondContact NE2-NH2 3.31Å; H490-R493 WeakPolarHBondContact O-CA 3.2Å; H490-R493 WeakPolarHBondContact O-CB 3.44Å; H490-R493 PolarHBondContact O-N 3.2Å; R493-P497 VanDerWaalsContact O-CA 3.27Å; R493-P497 WeakPolarHBondContact O-CA 3.43Å; R493-F500 HydrophobicContact CB-CD1 4.37Å; R493-F500 HydrophobicContact CB-CD2 4.34Å; R493-F500 HydrophobicContact CB-CE1 4.4Å; R493-F500 HydrophobicContact CB-CE2 4.4Å; R493-F500 HydrophobicContact CB-CG 4.34Å; R493-F500 HydrophobicContact CB-CZ 4.43Å; R493-F500 HydrophobicContact CG-CG 4.31Å; R493-E626 IonicContact NH2-OE1 2.75Å; R493-E626 IonicContact NH2-OE2 3.82Å
494	E	82.6	Confident	85.5	Confident	128 Å²	128	59.7 Å²	59.7	60%	0.598	31%	0.312	S	S	*	.	H	α-helix	trans	-73.2	-40.4	179	-67.3	178.9	114.6	0	0	112.5	H490 N496	H490-E494 IonicContact CE1-OE1 2.81Å; H490-E494 PolarHBondContact CE1-OE1 3.34Å; H490-E494 IonicContact CE1-OE2 3.85Å; H490-E494 PolarHBondContact CE1-OE2 2.98Å; H490-E494 IonicContact ND1-OE1 3.39Å; H490-E494 IonicContact ND1-OE2 3.7Å; H490-E494 PolarHBondContact ND1-OE2 2.61Å; H490-E494 PolarHBondContact O-N 3.19Å; E494-N496 VanDerWaalsContact C-N 3.28Å; E494-N496 PolarHBondContact O-N 3.16Å
495	A	85.1	Confident	85.1	Confident	74 Å²	74	63.7 Å²	63.7	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-70	-21.2	179.8	0	0	0	0	0	113.9	E491	E491-A495 WeakPolarHBondContact O-CB 3.3Å; E491-A495 PolarHBondContact O-N 3.25Å; E491-A495 VanDerWaalsContact O-N 3.14Å
496	N	83.8	Confident	84.9	Confident	52 Å²	52	63.8 Å²	63.8	28%	0.278	33%	0.325	S	S	.	.			trans	-150	57.3	-174.1	-53.9	-105.1	0	0	0	113	S492 E494 E498 K499 F500	S492-N496 PolarHBondContact O-N 3.08Å; E494-N496 VanDerWaalsContact C-N 3.28Å; E494-N496 PolarHBondContact O-N 3.16Å; N496-E498 WeakPolarHBondContact CA-OE2 3.4Å; N496-E498 PolarHBondContact O-N 2.88Å; N496-K499 HydrophobicContact CB-CB 4.49Å; N496-K499 HydrophobicContact CB-CD 3.69Å; N496-K499 HydrophobicContact CB-CG 4.27Å; N496-K499 WeakPolarHBondContact O-CB 3.48Å; N496-K499 PolarHBondContact O-N 3.37Å; N496-K499 PolarHBondContact OD1-NZ 2.86Å; N496-F500 WeakPolarHBondContact O-CD2 3.27Å
497	P	81.2	Confident	84.6	Confident	85 Å²	85	67 Å²	67	55%	0.552	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-59.8	-25.8	-169.2	24.9	-35.3	0	0	0	113.9	R493 K499 F500	R493-P497 VanDerWaalsContact O-CA 3.27Å; R493-P497 WeakPolarHBondContact O-CA 3.43Å; P497-K499 VanDerWaalsContact C-N 3.25Å; P497-K499 PolarHBondContact O-N 3.46Å; P497-F500 PolarHBondContact O-N 3.38Å; P497-F500 VanDerWaalsContact O-N 3.17Å
498	E	82.4	Confident	84.3	Confident	108 Å²	108	72.3 Å²	72.3	51%	0.505	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-64.9	-25.5	176.8	78.6	-61.4	153.5	0	0	113.6	N496 F500 N501	N496-E498 WeakPolarHBondContact CA-OE2 3.4Å; N496-E498 PolarHBondContact O-N 2.88Å; E498-F500 VanDerWaalsContact C-N 3.32Å; E498-N501 VanDerWaalsContact O-CG 3.26Å; E498-N501 PolarHBondContact O-ND2 2.96Å
499	K	81.7	Confident	84.1	Confident	117 Å²	117	72.3 Å²	72.3	51%	0.509	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-73.5	-25.6	175.8	-69.4	169.5	-164.2	164	0	112.3	N496 P497 N501	N496-K499 HydrophobicContact CB-CB 4.49Å; N496-K499 HydrophobicContact CB-CD 3.69Å; N496-K499 HydrophobicContact CB-CG 4.27Å; N496-K499 WeakPolarHBondContact O-CB 3.48Å; N496-K499 PolarHBondContact O-N 3.37Å; N496-K499 PolarHBondContact OD1-NZ 2.86Å; P497-K499 VanDerWaalsContact C-N 3.25Å; P497-K499 PolarHBondContact O-N 3.46Å; K499-N501 VanDerWaalsContact C-N 3.3Å; K499-N501 PolarHBondContact O-N 3.48Å
500	F	81.4	Confident	83.9	Confident	21 Å²	21	74.2 Å²	74.2	9%	0.092	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-92.9	18.1	-174.8	-64.9	-96.3	0	0	0	113.6	F489 S492 R493 N496 P497 E498 S502 N506 F509	F489-F500 HydrophobicContact CD2-CE1 4.18Å; F489-F500 HydrophobicContact CE2-CD1 4.04Å; F489-F500 AromaticContact CE2-CE1 3.65Å; F489-F500 HydrophobicContact CE2-CE1 3.65Å; F489-F500 AromaticContact CZ-CD1 3.87Å; F489-F500 HydrophobicContact CZ-CD1 3.87Å; F489-F500 AromaticContact CZ-CE1 3.9Å; F489-F500 HydrophobicContact CZ-CE1 3.9Å; S492-F500 VanDerWaalsContact O-CE2 3.31Å; S492-F500 WeakPolarHBondContact O-CE2 3.35Å; R493-F500 HydrophobicContact CB-CD1 4.37Å; R493-F500 HydrophobicContact CB-CD2 4.34Å; R493-F500 HydrophobicContact CB-CE1 4.4Å; R493-F500 HydrophobicContact CB-CE2 4.4Å; R493-F500 HydrophobicContact CB-CG 4.34Å; R493-F500 HydrophobicContact CB-CZ 4.43Å; R493-F500 HydrophobicContact CG-CG 4.31Å; N496-F500 WeakPolarHBondContact O-CD2 3.27Å; P497-F500 PolarHBondContact O-N 3.38Å; P497-F500 VanDerWaalsContact O-N 3.17Å; E498-F500 VanDerWaalsContact C-N 3.32Å; F500-S502 PolarHBondContact O-N 3.25Å; F500-S502 VanDerWaalsContact O-N 3.08Å; F500-N506 VanDerWaalsContact C-OD1 3.26Å; F500-N506 WeakPolarHBondContact CA-OD1 3.12Å; F500-N506 PolarHBondContact O-ND2 2.9Å; F500-N506 PolarHBondContact O-OD1 2.69Å; F500-N506 VanDerWaalsContact O-OD1 3.07Å; F500-F509 AromaticContact CE1-CD1 3.62Å; F500-F509 HydrophobicContact CE1-CD1 3.62Å; F500-F509 AromaticContact CE1-CE1 3.97Å; F500-F509 HydrophobicContact CE1-CE1 3.97Å; F500-F509 HydrophobicContact CE1-CG 4.13Å; F500-F509 AromaticContact CZ-CD1 3.76Å; F500-F509 HydrophobicContact CZ-CD1 3.76Å; F500-F509 AromaticContact CZ-CE1 3.65Å; F500-F509 HydrophobicContact CZ-CE1 3.65Å; F500-F509 HydrophobicContact CZ-CG 4.27Å; F500-F509 HydrophobicContact CZ-CZ 4.08Å
501	N	78.2	Confident	83.8	Confident	77 Å²	77	75.6 Å²	75.6	41%	0.412	39%	0.388	S	S	.	.			trans	-73.1	9.4	-177.7	71.8	3.5	0	0	0	115.9	E498 K499 K505	E498-N501 VanDerWaalsContact O-CG 3.26Å; E498-N501 PolarHBondContact O-ND2 2.96Å; K499-N501 VanDerWaalsContact C-N 3.3Å; K499-N501 PolarHBondContact O-N 3.48Å; N501-K505 PolarHBondContact OD1-NZ 2.95Å
502	S	81.7	Confident	83.6	Confident	39 Å²	39	75 Å²	75	27%	0.273	40%	0.395	S	S	.	.	S	Bend	trans	-153.3	116.5	-175.6	167.4	0	0	0	0	111.5	G320 F500 L504 K505 N506	G320-S502 CarbonylContact O-C 3.54Å; G320-S502 VanDerWaalsContact O-C 3.32Å; G320-S502 WeakPolarHBondContact O-CA 3.38Å; F500-S502 PolarHBondContact O-N 3.25Å; F500-S502 VanDerWaalsContact O-N 3.08Å; S502-L504 PolarHBondContact O-N 3.31Å; S502-K505 WeakPolarHBondContact O-CA 3.33Å; S502-K505 VanDerWaalsContact O-CB 3.32Å; S502-K505 WeakPolarHBondContact O-CB 3.23Å; S502-K505 PolarHBondContact O-N 3.37Å; S502-N506 PolarHBondContact O-N 2.95Å; S502-N506 PolarHBondContact O-OD1 3.16Å; S502-N506 VanDerWaalsContact O-OD1 3.11Å
503	R	81.9	Confident	83.5	Confident	61 Å²	61	74 Å²	74	23%	0.23	39%	0.387	C	S	.	.	H	α-helix	trans	-44.3	-43.5	-179.7	-179.4	175.2	-172.2	-134.3	-1.6	114.1	G320 G396 T397 G398 N399 S409 N506 K507	G320-R503 PolarHBondContact O-N 2.99Å; G396-R503 WeakPolarHBondContact O-CD 3.23Å; G396-R503 PolarHBondContact O-NE 3.06Å; T397-R503 VanDerWaalsContact O-CZ 3.31Å; T397-R503 PolarHBondContact O-NE 3.09Å; T397-R503 PolarHBondContact O-NH2 2.94Å; G398-R503 PolarHBondContact O-NH2 3.46Å; N399-R503 PolarHBondContact ND2-NH2 2.81Å; S409-R503 PolarHBondContact O-NH1 2.71Å; S409-R503 PolarHBondContact O-NH2 3.38Å; R503-N506 PolarHBondContact O-N 3.36Å; R503-K507 PolarHBondContact O-N 2.85Å
504	L	84.9	Confident	83.4	Confident	140 Å²	140	70.9 Å²	70.9	73%	0.733	38%	0.383	S	S	*	.	H	α-helix	trans	-65.9	-37.7	179.5	-175.4	61.6	0	0	0	112.5	S502 L508	S502-L504 PolarHBondContact O-N 3.31Å; L504-L508 VanDerWaalsContact O-CB 3.32Å; L504-L508 WeakPolarHBondContact O-CB 2.96Å; L504-L508 PolarHBondContact O-N 3.15Å
505	K	85.3	Confident	83.3	Confident	108 Å²	108	66.3 Å²	66.3	47%	0.47	37%	0.37	S	S	.	.	H	α-helix	trans	-66.9	-42.4	172.5	-58	178.8	-168	166.1	0	110.2	N501 S502 L508 F509	N501-K505 PolarHBondContact OD1-NZ 2.95Å; S502-K505 WeakPolarHBondContact O-CA 3.33Å; S502-K505 VanDerWaalsContact O-CB 3.32Å; S502-K505 WeakPolarHBondContact O-CB 3.23Å; S502-K505 PolarHBondContact O-N 3.37Å; K505-L508 PolarHBondContact O-N 3.2Å; K505-F509 VanDerWaalsContact O-CB 3.29Å; K505-F509 WeakPolarHBondContact O-CB 3.33Å; K505-F509 PolarHBondContact O-N 2.93Å
506	N	84.6	Confident	83.2	Confident	10 Å²	10	69.1 Å²	69.1	5%	0.053	37%	0.369	C	S	.	.	H	α-helix	trans	-61.6	-47.8	-179.2	-59.3	4.2	0	0	0	110.7	T397 F489 F500 S502 R503 F509 Y510	T397-N506 HydrophobicContact CG2-CB 3.76Å; F489-N506 HydrophobicContact CE2-CB 4.49Å; F489-N506 WeakPolarHBondContact CE2-O 3.41Å; F489-N506 HydrophobicContact CZ-CB 4.22Å; F500-N506 VanDerWaalsContact C-OD1 3.26Å; F500-N506 WeakPolarHBondContact CA-OD1 3.12Å; F500-N506 PolarHBondContact O-ND2 2.9Å; F500-N506 PolarHBondContact O-OD1 2.69Å; F500-N506 VanDerWaalsContact O-OD1 3.07Å; S502-N506 PolarHBondContact O-N 2.95Å; S502-N506 PolarHBondContact O-OD1 3.16Å; S502-N506 VanDerWaalsContact O-OD1 3.11Å; R503-N506 PolarHBondContact O-N 3.36Å; N506-F509 PolarHBondContact O-N 2.98Å; N506-Y510 WeakPolarHBondContact O-CB 3.4Å; N506-Y510 PolarHBondContact O-N 3.19Å
507	K	85.2	Confident	83	Confident	73 Å²	73	67.9 Å²	67.9	32%	0.317	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-43.2	175	-174.4	173.1	180	179.7	0	111.9	T397 R503 A511	T397-K507 HydrophobicContact CG2-CB 4.44Å; R503-K507 PolarHBondContact O-N 2.85Å; K507-A511 WeakPolarHBondContact O-CB 3.14Å; K507-A511 PolarHBondContact O-N 2.97Å
508	L	87.1	Confident	82.9	Confident	129 Å²	129	66.3 Å²	66.3	68%	0.675	35%	0.349	S	S	*	.	H	α-helix	trans	-64.9	-39	178.2	-178	62.5	0	0	0	112.5	L504 K505 G512	L504-L508 VanDerWaalsContact O-CB 3.32Å; L504-L508 WeakPolarHBondContact O-CB 2.96Å; L504-L508 PolarHBondContact O-N 3.15Å; K505-L508 PolarHBondContact O-N 3.2Å; L508-G512 PolarHBondContact O-N 3.14Å
509	F	84.9	Confident	82.5	Confident	80 Å²	80	68.2 Å²	68.2	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-67.7	-47.5	177.5	-173.1	-92.2	0	0	0	111	F489 F500 K505 N506 A511 G512 L513	F489-F509 AromaticContact CD2-CD1 3.77Å; F489-F509 HydrophobicContact CD2-CD1 3.77Å; F489-F509 HydrophobicContact CD2-CE1 4.36Å; F489-F509 HydrophobicContact CE2-CD1 4.08Å; F500-F509 AromaticContact CE1-CD1 3.62Å; F500-F509 HydrophobicContact CE1-CD1 3.62Å; F500-F509 AromaticContact CE1-CE1 3.97Å; F500-F509 HydrophobicContact CE1-CE1 3.97Å; F500-F509 HydrophobicContact CE1-CG 4.13Å; F500-F509 AromaticContact CZ-CD1 3.76Å; F500-F509 HydrophobicContact CZ-CD1 3.76Å; F500-F509 AromaticContact CZ-CE1 3.65Å; F500-F509 HydrophobicContact CZ-CE1 3.65Å; F500-F509 HydrophobicContact CZ-CG 4.27Å; F500-F509 HydrophobicContact CZ-CZ 4.08Å; K505-F509 VanDerWaalsContact O-CB 3.29Å; K505-F509 WeakPolarHBondContact O-CB 3.33Å; K505-F509 PolarHBondContact O-N 2.93Å; N506-F509 PolarHBondContact O-N 2.98Å; F509-A511 PolarHBondContact O-N 2.66Å; F509-G512 CarbonylContact O-C 3.51Å; F509-G512 WeakPolarHBondContact O-CA 3.42Å; F509-G512 PolarHBondContact O-N 3.33Å; F509-G512 VanDerWaalsContact O-N 3.1Å; F509-L513 HydrophobicContact CD1-CD1 4.18Å; F509-L513 HydrophobicContact CD1-CG 4.26Å; F509-L513 HydrophobicContact CE1-CD1 3.68Å; F509-L513 HydrophobicContact CE1-CD2 4.27Å; F509-L513 HydrophobicContact CE1-CG 4.01Å; F509-L513 HydrophobicContact CZ-CD1 4.41Å; F509-L513 HydrophobicContact CZ-CD2 4.29Å; F509-L513 WeakPolarHBondContact O-CG 3.37Å; F509-L513 PolarHBondContact O-N 3.36Å
510	Y	84.8	Confident	82.3	Confident	58 Å²	58	70.8 Å²	70.8	23%	0.227	37%	0.368	C	S	.	.	H	α-helix	trans	-57.3	-48.9	174.9	-171.7	-81.9	0	0	0	111.7	D482 T485 A486 F489 N506 G512 L513 G514	D482-Y510 PolarHBondContact OD1-OH 3.4Å; T485-Y510 HydrophobicContact CG2-CD1 4.46Å; T485-Y510 HydrophobicContact CG2-CE1 4.04Å; T485-Y510 HydrophobicContact CG2-CE2 4.14Å; A486-Y510 HydrophobicContact CB-CE2 4.32Å; F489-Y510 HydrophobicContact CB-CD2 3.94Å; F489-Y510 HydrophobicContact CB-CE2 4.4Å; F489-Y510 HydrophobicContact CD1-CD2 4.39Å; F489-Y510 AromaticContact CD2-CD2 3.71Å; F489-Y510 HydrophobicContact CD2-CD2 3.71Å; F489-Y510 HydrophobicContact CD2-CG 4.22Å; F489-Y510 HydrophobicContact CE2-CD2 4.34Å; F489-Y510 AromaticContact CG-CD2 3.76Å; F489-Y510 HydrophobicContact CG-CD2 3.76Å; N506-Y510 WeakPolarHBondContact O-CB 3.4Å; N506-Y510 PolarHBondContact O-N 3.19Å; Y510-G512 VanDerWaalsContact C-N 3.27Å; Y510-G512 PolarHBondContact O-N 2.53Å; Y510-L513 PolarHBondContact O-N 3.09Å; Y510-L513 VanDerWaalsContact O-N 3.09Å; Y510-G514 PolarHBondContact O-N 3.09Å
511	A	83.7	Confident	82.1	Confident	58 Å²	58	76.1 Å²	76.1	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-34.6	175.4	0	0	0	0	0	112.7	K507 F509 G515	K507-A511 WeakPolarHBondContact O-CB 3.14Å; K507-A511 PolarHBondContact O-N 2.97Å; F509-A511 PolarHBondContact O-N 2.66Å; A511-G515 PolarHBondContact O-N 3.14Å
512	G	84.8	Confident	82	Confident	37 Å²	37	73.7 Å²	73.7	38%	0.381	38%	0.377	S	S	.	.	H	α-helix	trans	-71.2	-24.4	174.6	0	0	0	0	0	114.5	L508 F509 Y510 K516	L508-G512 PolarHBondContact O-N 3.14Å; F509-G512 CarbonylContact O-C 3.51Å; F509-G512 WeakPolarHBondContact O-CA 3.42Å; F509-G512 PolarHBondContact O-N 3.33Å; F509-G512 VanDerWaalsContact O-N 3.1Å; Y510-G512 VanDerWaalsContact C-N 3.27Å; Y510-G512 PolarHBondContact O-N 2.53Å; G512-K516 WeakPolarHBondContact O-CG 3.39Å
513	L	83.7	Confident	82.3	Confident	10 Å²	10	73.7 Å²	73.7	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-78.3	-52.2	169.7	-63.1	-169.5	0	0	0	110.6	T485 Q488 F489 F509 Y510 G515 K516 D517	T485-L513 HydrophobicContact CG2-CB 4.04Å; Q488-L513 HydrophobicContact CB-CD1 3.99Å; Q488-L513 HydrophobicContact CG-CD1 3.81Å; Q488-L513 HydrophobicContact CG-CD2 4.47Å; F489-L513 HydrophobicContact CB-CD1 4.08Å; F509-L513 HydrophobicContact CD1-CD1 4.18Å; F509-L513 HydrophobicContact CD1-CG 4.26Å; F509-L513 HydrophobicContact CE1-CD1 3.68Å; F509-L513 HydrophobicContact CE1-CD2 4.27Å; F509-L513 HydrophobicContact CE1-CG 4.01Å; F509-L513 HydrophobicContact CZ-CD1 4.41Å; F509-L513 HydrophobicContact CZ-CD2 4.29Å; F509-L513 WeakPolarHBondContact O-CG 3.37Å; F509-L513 PolarHBondContact O-N 3.36Å; Y510-L513 PolarHBondContact O-N 3.09Å; Y510-L513 VanDerWaalsContact O-N 3.09Å; L513-G515 PolarHBondContact O-N 3.01Å; L513-K516 WeakPolarHBondContact O-CA 3.48Å; L513-K516 WeakPolarHBondContact O-CB 3.31Å; L513-K516 PolarHBondContact O-N 3.05Å; L513-D517 PolarHBondContact O-N 3.1Å
514	G	82.3	Confident	82.5	Confident	24 Å²	24	76.8 Å²	76.8	25%	0.247	38%	0.382	C	S	.	.	H	α-helix	trans	-57.5	-35.9	177.8	0	0	0	0	0	112.8	Y510 K516 D517 L518	Y510-G514 PolarHBondContact O-N 3.09Å; G514-K516 PolarHBondContact O-N 2.94Å; G514-D517 PolarHBondContact O-N 3.11Å; G514-L518 WeakPolarHBondContact O-CB 3.46Å; G514-L518 PolarHBondContact O-N 2.9Å
515	G	81.4	Confident	82.8	Confident	32 Å²	32	71.6 Å²	71.6	33%	0.33	36%	0.355	S	S	.	.	H	α-helix	trans	-66.4	-30.3	172.9	0	0	0	0	0	114.6	A511 L513 L519	A511-G515 PolarHBondContact O-N 3.14Å; L513-G515 PolarHBondContact O-N 3.01Å; G515-L519 VanDerWaalsContact O-CG 3.31Å; G515-L519 WeakPolarHBondContact O-CG 3.36Å; G515-L519 PolarHBondContact O-N 3.16Å
516	K	83.4	Confident	83.2	Confident	133 Å²	133	66.4 Å²	66.4	58%	0.578	33%	0.333	S	S	*	.	H	α-helix	trans	-75.5	-41.4	172.1	-73.3	172.1	178.4	-179.4	0	111.5	G512 L513 G514 L519 R520	G512-K516 WeakPolarHBondContact O-CG 3.39Å; L513-K516 WeakPolarHBondContact O-CA 3.48Å; L513-K516 WeakPolarHBondContact O-CB 3.31Å; L513-K516 PolarHBondContact O-N 3.05Å; G514-K516 PolarHBondContact O-N 2.94Å; K516-L519 PolarHBondContact O-N 3.48Å; K516-L519 VanDerWaalsContact O-N 3.15Å; K516-R520 PolarHBondContact O-N 2.82Å
517	D	79.2	Confident	83.7	Confident	26 Å²	26	66 Å²	66	14%	0.139	33%	0.33	C	S	.	.	H	α-helix	trans	-67.4	-40.6	-179.4	-168.1	52.9	0	0	0	111.3	A481 L513 G514 L519 R520 R521 S522	A481-D517 WeakPolarHBondContact CA-OD2 3.27Å; A481-D517 WeakPolarHBondContact CB-OD2 3.34Å; L513-D517 PolarHBondContact O-N 3.1Å; G514-D517 PolarHBondContact O-N 3.11Å; D517-L519 VanDerWaalsContact C-N 3.27Å; D517-L519 PolarHBondContact O-N 3.05Å; D517-R520 PolarHBondContact O-N 2.99Å; D517-R521 WeakPolarHBondContact O-CA 3.21Å; D517-R521 PolarHBondContact O-N 3.36Å; D517-S522 VanDerWaalsContact OD1-CB 3.23Å; D517-S522 WeakPolarHBondContact OD1-CB 3.47Å; D517-S522 PolarHBondContact OD1-OG 3.02Å; D517-S522 PolarHBondContact OD2-OG 2.83Å
518	L	77.8	Confident	84.2	Confident	51 Å²	51	67.3 Å²	67.3	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-57	-34.6	168	175.7	61.9	0	0	0	113.4	G514 R521 S590 L593 A594	G514-L518 WeakPolarHBondContact O-CB 3.46Å; G514-L518 PolarHBondContact O-N 2.9Å; L518-R521 WeakPolarHBondContact O-CG 3.18Å; L518-R521 PolarHBondContact O-N 2.68Å; L518-S590 VanDerWaalsContact CD1-O 3.23Å; L518-S590 WeakPolarHBondContact CD1-O 3.47Å; L518-L593 HydrophobicContact CD1-CB 4.49Å; L518-A594 HydrophobicContact CD1-CB 4.43Å; L518-A594 HydrophobicContact CD2-CB 3.88Å
519	L	75.9	Confident	84.6	Confident	149 Å²	149	62.6 Å²	62.6	78%	0.78	31%	0.312	S	S	*	.	H	α-helix	trans	-77.6	-38.8	176.6	-76.8	171.2	0	0	0	112.7	G515 K516 D517 R521	G515-L519 VanDerWaalsContact O-CG 3.31Å; G515-L519 WeakPolarHBondContact O-CG 3.36Å; G515-L519 PolarHBondContact O-N 3.16Å; K516-L519 PolarHBondContact O-N 3.48Å; K516-L519 VanDerWaalsContact O-N 3.15Å; D517-L519 VanDerWaalsContact C-N 3.27Å; D517-L519 PolarHBondContact O-N 3.05Å; L519-R521 PolarHBondContact O-N 3.21Å
520	R	77	Confident	85.1	Confident	170 Å²	170	58.8 Å²	58.8	64%	0.642	30%	0.296	S	S	*	.	H	α-helix	trans	-60.7	-36.7	167.3	-73	-175.5	166.3	-151.9	-8.3	110.5	K516 D517 R524	K516-R520 PolarHBondContact O-N 2.82Å; D517-R520 PolarHBondContact O-N 2.99Å; R520-R524 PolarHBondContact O-NH2 2.74Å
521	R	76.3	Confident	85.7	Confident	134 Å²	134	58.4 Å²	58.4	51%	0.506	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	67.5	-162.7	-55.6	-175.3	-160.7	171.2	3.1	109	D517 L518 L519 R524 S590	D517-R521 WeakPolarHBondContact O-CA 3.21Å; D517-R521 PolarHBondContact O-N 3.36Å; L518-R521 WeakPolarHBondContact O-CG 3.18Å; L518-R521 PolarHBondContact O-N 2.68Å; L519-R521 PolarHBondContact O-N 3.21Å; R521-R524 HydrophobicContact CB-CG 4.25Å; R521-R524 WeakPolarHBondContact O-CG 3.14Å; R521-R524 PolarHBondContact O-NE 3.11Å; R521-S590 WeakPolarHBondContact CG-OG 3.42Å
522	S	76.6	Confident	86.4	Confident	26 Å²	26	55.7 Å²	55.7	18%	0.182	28%	0.277	C	S	.	.			trans	-61.2	164.7	169.2	61.2	0	0	0	0	110.7	D517 R524 H549	D517-S522 VanDerWaalsContact OD1-CB 3.23Å; D517-S522 WeakPolarHBondContact OD1-CB 3.47Å; D517-S522 PolarHBondContact OD1-OG 3.02Å; D517-S522 PolarHBondContact OD2-OG 2.83Å; S522-R524 VanDerWaalsContact C-N 3.28Å; S522-R524 PolarHBondContact O-N 2.81Å; S522-R524 VanDerWaalsContact O-N 3.12Å; S522-H549 PolarHBondContact O-ND1 2.8Å
523	W	88	Confident	87.1	Confident	39 Å²	39	56.5 Å²	56.5	15%	0.148	27%	0.272	C	S	.	.			trans	54.9	32.6	170.1	-57.6	102	0	0	0	115.3	D525 L526 H549 I617 I619 P620	W523-D525 PolarHBondContact O-N 3.14Å; W523-L526 HydrophobicContact CB-CB 4.19Å; W523-L526 HydrophobicContact CE3-CD1 4.23Å; W523-L526 WeakPolarHBondContact O-CB 3.08Å; W523-L526 PolarHBondContact O-N 3.4Å; W523-L526 VanDerWaalsContact O-N 3.16Å; W523-H549 WeakPolarHBondContact CB-O 3.47Å; W523-H549 WeakPolarHBondContact O-CA 3.46Å; W523-I617 HydrophobicContact CZ3-CD1 3.92Å; W523-I619 HydrophobicContact CZ3-CG1 4.08Å; W523-P620 HydrophobicContact CD2-CG 4.45Å; W523-P620 HydrophobicContact CH2-CG 4.3Å; W523-P620 HydrophobicContact CZ2-CG 3.55Å
524	R	86.4	Confident	87.8	Confident	125 Å²	125	56.3 Å²	56.3	47%	0.472	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-28.5	-179.9	-45.1	-170.1	-173.5	-179.9	2	113.2	R520 R521 S522	R520-R524 PolarHBondContact O-NH2 2.74Å; R521-R524 HydrophobicContact CB-CG 4.25Å; R521-R524 WeakPolarHBondContact O-CG 3.14Å; R521-R524 PolarHBondContact O-NE 3.11Å; S522-R524 VanDerWaalsContact C-N 3.28Å; S522-R524 PolarHBondContact O-N 2.81Å; S522-R524 VanDerWaalsContact O-N 3.12Å
525	D	90.5	Very high	88.4	Confident	31 Å²	31	58.4 Å²	58.4	17%	0.166	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.7	-177.9	57.5	-60.1	0	0	0	111.7	Y453 W523 S527 E528 H529	Y453-D525 WeakPolarHBondContact CE1-OD2 3.26Å; Y453-D525 PolarHBondContact OH-OD2 2.88Å; W523-D525 PolarHBondContact O-N 3.14Å; D525-S527 PolarHBondContact O-N 3.33Å; D525-S527 VanDerWaalsContact O-N 3.09Å; D525-E528 WeakPolarHBondContact O-CA 3.46Å; D525-E528 VanDerWaalsContact O-CB 3.32Å; D525-E528 WeakPolarHBondContact O-CB 3.13Å; D525-E528 PolarHBondContact O-N 2.86Å; D525-H529 PolarHBondContact O-CD2 3.18Å; D525-H529 IonicContact OD2-CD2 3.33Å; D525-H529 PolarHBondContact OD2-CD2 3.15Å; D525-H529 IonicContact OD2-CE1 3.21Å; D525-H529 IonicContact OD2-NE2 3.78Å; D525-H529 PolarHBondContact OD2-NE2 3.1Å
526	L	94.5	Very high	89	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-48.6	-40.3	176.2	179.7	65.3	0	0	0	112.3	L479 W523 E528 H529 I530 H549 I619	L479-L526 HydrophobicContact CD1-CD1 4.23Å; W523-L526 HydrophobicContact CB-CB 4.19Å; W523-L526 HydrophobicContact CE3-CD1 4.23Å; W523-L526 WeakPolarHBondContact O-CB 3.08Å; W523-L526 PolarHBondContact O-N 3.4Å; W523-L526 VanDerWaalsContact O-N 3.16Å; L526-E528 PolarHBondContact O-N 3.05Å; L526-H529 PolarHBondContact O-N 2.72Å; L526-I530 HydrophobicContact CD1-CG2 4.46Å; L526-I530 HydrophobicContact CG-CD1 4.24Å; L526-I530 WeakPolarHBondContact O-CD1 3.5Å; L526-I530 VanDerWaalsContact O-CG1 3.29Å; L526-I530 WeakPolarHBondContact O-CG1 3.25Å; L526-H549 WeakPolarHBondContact CD2-O 3.26Å; L526-I619 HydrophobicContact CD1-CD1 3.96Å; L526-I619 HydrophobicContact CD1-CG2 4.23Å
527	S	94.8	Very high	89.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-64	-12.8	177	57.5	0	0	0	0	115.5	D525 I543 R544	D525-S527 PolarHBondContact O-N 3.33Å; D525-S527 VanDerWaalsContact O-N 3.09Å; S527-I543 WeakPolarHBondContact CB-O 3.36Å; S527-R544 WeakPolarHBondContact O-CG 3.27Å
528	E	95.2	Very high	90.6	Very high	101 Å²	101	67.1 Å²	67.1	47%	0.472	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-94	-25.3	-176.3	-53.2	-171.3	179	0	0	111.3	D525 L526 K547	D525-E528 WeakPolarHBondContact O-CA 3.46Å; D525-E528 VanDerWaalsContact O-CB 3.32Å; D525-E528 WeakPolarHBondContact O-CB 3.13Å; D525-E528 PolarHBondContact O-N 2.86Å; L526-E528 PolarHBondContact O-N 3.05Å; E528-K547 IonicContact OE1-NZ 2.85Å; E528-K547 PolarHBondContact OE1-NZ 2.99Å
529	H	94.8	Very high	91.6	Very high	30 Å²	30	65 Å²	65	14%	0.139	31%	0.305	C	S	.	.	S	Bend	trans	-105.3	18.8	-178.6	-46.4	-78.4	0	0	0	114.7	Y453 D525 L526 T615 D616 I617	Y453-H529 AromaticContact CZ-NE2 3.94Å; Y453-H529 PolarHBondContact OH-NE2 3.18Å; D525-H529 PolarHBondContact O-CD2 3.18Å; D525-H529 IonicContact OD2-CD2 3.33Å; D525-H529 PolarHBondContact OD2-CD2 3.15Å; D525-H529 IonicContact OD2-CE1 3.21Å; D525-H529 IonicContact OD2-NE2 3.78Å; D525-H529 PolarHBondContact OD2-NE2 3.1Å; L526-H529 PolarHBondContact O-N 2.72Å; H529-T615 WeakPolarHBondContact O-CA 3.41Å; H529-D616 HydrophobicContact CB-CB 4.29Å; H529-D616 PolarHBondContact O-N 3.3Å; H529-I617 HydrophobicContact CB-CD1 4.03Å; H529-I617 HydrophobicContact CB-CG1 3.83Å; H529-I617 HydrophobicContact CB-CG2 4.38Å; H529-I617 VanDerWaalsContact CD2-CD1 3.49Å; H529-I617 WeakPolarHBondContact CD2-CD1 3.42Å
530	I	96.4	Very high	92.6	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.7	-178.7	64.3	-174.5	0	0	0	112.2	L479 L526 T540 I543 I551 L613 T614 T615 I619	L479-I530 HydrophobicContact CD1-CG2 4.26Å; L526-I530 HydrophobicContact CD1-CG2 4.46Å; L526-I530 HydrophobicContact CG-CD1 4.24Å; L526-I530 WeakPolarHBondContact O-CD1 3.5Å; L526-I530 VanDerWaalsContact O-CG1 3.29Å; L526-I530 WeakPolarHBondContact O-CG1 3.25Å; I530-T540 WeakPolarHBondContact O-CG2 3.44Å; I530-I543 HydrophobicContact CD1-CG2 3.8Å; I530-I543 HydrophobicContact CG1-CG2 4.19Å; I530-I551 HydrophobicContact CD1-CD1 3.48Å; I530-I551 VanDerWaalsContact CD1-CD1 3.48Å; I530-L613 HydrophobicContact CB-CD1 4.24Å; I530-L613 HydrophobicContact CG2-CD1 4.42Å; I530-T614 WeakPolarHBondContact CA-O 3.18Å; I530-T615 HydrophobicContact CG2-CG2 4.18Å; I530-I619 HydrophobicContact CG2-CD1 3.89Å
531	T	97.8	Very high	93.6	Very high	49 Å²	49	54.1 Å²	54.1	30%	0.301	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.2	166.7	-58.2	0	0	0	0	108	T540 L613 T614	T531-T540 WeakPolarHBondContact CA-OG1 3.38Å; T531-T540 WeakPolarHBondContact CG2-OG1 3.39Å; T531-L613 WeakPolarHBondContact O-CA 3.43Å; T531-T614 PolarHBondContact N-O 3.11Å; T531-T614 PolarHBondContact O-N 2.81Å
532	L	98.5	Very high	94.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	114.2	-174.3	-178.9	70.8	0	0	0	110.7	L539 T540 I543 F553 V585 V611 L613	L532-L539 HydrophobicContact CD2-CB 4.41Å; L532-L539 PolarHBondContact O-N 2.85Å; L532-T540 PolarHBondContact N-OG1 3.38Å; L532-T540 PolarHBondContact O-N 2.89Å; L532-I543 HydrophobicContact CB-CG1 4.33Å; L532-I543 HydrophobicContact CD2-CD1 3.76Å; L532-I543 HydrophobicContact CD2-CG1 3.72Å; L532-F553 HydrophobicContact CD1-CE1 4.15Å; L532-F553 HydrophobicContact CD1-CZ 3.85Å; L532-V585 HydrophobicContact CD2-CG1 4.23Å; L532-V611 HydrophobicContact CD1-CG1 3.51Å; L532-L613 HydrophobicContact CD1-CB 4.42Å; L532-L613 HydrophobicContact CD1-CD1 4.38Å
533	I	98.4	Very high	95.6	Very high	55 Å²	55	49.9 Å²	49.9	28%	0.282	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137	172.1	-63.7	161.4	0	0	0	107.9	K537 D538 V611 H612	I533-K537 WeakPolarHBondContact CA-O 3.38Å; I533-D538 HydrophobicContact CG1-CB 4.18Å; I533-V611 WeakPolarHBondContact O-CA 3.41Å; I533-H612 HydrophobicContact CB-CB 4.24Å; I533-H612 PolarHBondContact N-O 2.99Å; I533-H612 PolarHBondContact O-N 3.31Å
534	C	98.2	Very high	96	Very high	5 Å²	5	54 Å²	54	3%	0.034	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	123.3	-179.1	-69.1	0	0	0	0	109.3	D536 K537 L539 C608 R610	C534-D536 VanDerWaalsContact C-N 3.32Å; C534-D536 PolarHBondContact O-N 2.75Å; C534-K537 PolarHBondContact N-O 3.28Å; C534-K537 WeakPolarHBondContact O-CB 3.46Å; C534-K537 PolarHBondContact O-N 3.23Å; C534-L539 HydrophobicContact CB-CD1 3.8Å; C534-C608 HydrophobicContact CB-CB 3.9Å; C534-R610 WeakPolarHBondContact CA-O 3.3Å
535	D	95.9	Very high	96.5	Very high	69 Å²	69	52.7 Å²	52.7	37%	0.369	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.6	58	-170.7	-63.7	-13.9	0	0	0	112	K537 C608 R609 R610	D535-K537 PolarHBondContact O-N 3.35Å; D535-C608 HydrophobicContact CB-CB 4.43Å; D535-C608 WeakPolarHBondContact OD2-CA 3.25Å; D535-C608 WeakPolarHBondContact OD2-CB 3.22Å; D535-R609 VanDerWaalsContact CG-N 3.28Å; D535-R609 WeakPolarHBondContact OD1-CA 3.27Å; D535-R609 PolarHBondContact OD1-N 3.29Å; D535-R609 PolarHBondContact OD2-N 2.91Å; D535-R610 PolarHBondContact N-O 3.11Å; D535-R610 PolarHBondContact OD1-N 3.39Å
536	D	94.2	Very high	96.7	Very high	150 Å²	150	53.7 Å²	53.7	80%	0.802	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-1.2	-177.9	-54.3	-40.6	0	0	0	116.8	C534	C534-D536 VanDerWaalsContact C-N 3.32Å; C534-D536 PolarHBondContact O-N 2.75Å
537	K	97.1	Very high	96.8	Very high	139 Å²	139	58 Å²	58	60%	0.604	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.8	176.2	-176.1	-177.7	176.1	-172.2	0	111.3	I533 C534 D535 L539	I533-K537 WeakPolarHBondContact CA-O 3.38Å; C534-K537 PolarHBondContact N-O 3.28Å; C534-K537 WeakPolarHBondContact O-CB 3.46Å; C534-K537 PolarHBondContact O-N 3.23Å; D535-K537 PolarHBondContact O-N 3.35Å; K537-L539 HydrophobicContact CD-CD2 3.79Å; K537-L539 HydrophobicContact CG-CD2 3.91Å; K537-L539 PolarHBondContact O-N 3.31Å
538	D	98.2	Very high	96.9	Very high	85 Å²	85	58 Å²	58	46%	0.455	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	120.5	169.5	-179.8	25.8	0	0	0	111	I533 T540 P541	I533-D538 HydrophobicContact CG1-CB 4.18Å; D538-T540 WeakPolarHBondContact OD1-CB 3.33Å; D538-T540 PolarHBondContact OD1-N 2.85Å; D538-T540 PolarHBondContact OD1-OG1 2.79Å; D538-P541 WeakPolarHBondContact OD2-CD 3.46Å
539	L	98.2	Very high	96.8	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.037	28%	0.282	C	S	.	.			trans	-109.5	-0.5	177.3	-60.7	-179.2	0	0	0	112.1	L532 C534 K537 P541 L542 I543 I605 C606	L532-L539 HydrophobicContact CD2-CB 4.41Å; L532-L539 PolarHBondContact O-N 2.85Å; C534-L539 HydrophobicContact CB-CD1 3.8Å; K537-L539 HydrophobicContact CD-CD2 3.79Å; K537-L539 HydrophobicContact CG-CD2 3.91Å; K537-L539 PolarHBondContact O-N 3.31Å; L539-P541 VanDerWaalsContact C-N 3.3Å; L539-L542 WeakPolarHBondContact O-CA 3.43Å; L539-L542 WeakPolarHBondContact O-CB 3.43Å; L539-L542 PolarHBondContact O-N 2.88Å; L539-I543 WeakPolarHBondContact O-CG1 3.13Å; L539-I543 PolarHBondContact O-N 2.79Å; L539-I605 HydrophobicContact CB-CG2 4.48Å; L539-I605 HydrophobicContact CD1-CG2 3.67Å; L539-C606 HydrophobicContact CD1-CB 4.02Å; L539-C606 VanDerWaalsContact CD1-SG 3.55Å
540	T	98	Very high	96.9	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-50.9	-39.7	176.7	-47.5	0	0	0	0	113.6	I530 T531 L532 D538 L542 I543 R544	I530-T540 WeakPolarHBondContact O-CG2 3.44Å; T531-T540 WeakPolarHBondContact CA-OG1 3.38Å; T531-T540 WeakPolarHBondContact CG2-OG1 3.39Å; L532-T540 PolarHBondContact N-OG1 3.38Å; L532-T540 PolarHBondContact O-N 2.89Å; D538-T540 WeakPolarHBondContact OD1-CB 3.33Å; D538-T540 PolarHBondContact OD1-N 2.85Å; D538-T540 PolarHBondContact OD1-OG1 2.79Å; T540-L542 PolarHBondContact O-N 3.3Å; T540-I543 PolarHBondContact O-N 3.41Å; T540-R544 WeakPolarHBondContact O-CB 3.3Å; T540-R544 WeakPolarHBondContact O-CG 3.35Å; T540-R544 PolarHBondContact O-N 3.31Å
541	P	97.9	Very high	96.9	Very high	84 Å²	84	52.9 Å²	52.9	55%	0.545	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-37.1	174.4	-23.2	35.2	0	0	0	113.5	D538 L539 S545	D538-P541 WeakPolarHBondContact OD2-CD 3.46Å; L539-P541 VanDerWaalsContact C-N 3.3Å; P541-S545 PolarHBondContact O-N 3.24Å; P541-S545 VanDerWaalsContact O-N 3.13Å
542	L	97.4	Very high	97	Very high	71 Å²	71	50.5 Å²	50.5	37%	0.372	26%	0.261	S	S	.	.	H	α-helix	trans	-69.7	-44.7	176.6	176.9	60.3	0	0	0	110.7	L539 T540 R544 S545 L546 I605	L539-L542 WeakPolarHBondContact O-CA 3.43Å; L539-L542 WeakPolarHBondContact O-CB 3.43Å; L539-L542 PolarHBondContact O-N 2.88Å; T540-L542 PolarHBondContact O-N 3.3Å; L542-R544 VanDerWaalsContact C-N 3.34Å; L542-R544 PolarHBondContact O-N 3.45Å; L542-S545 WeakPolarHBondContact O-CB 3.49Å; L542-S545 PolarHBondContact O-N 3.25Å; L542-L546 HydrophobicContact CD1-CD1 3.93Å; L542-L546 HydrophobicContact CD1-CG 4.02Å; L542-L546 HydrophobicContact CG-CD1 3.92Å; L542-L546 HydrophobicContact CG-CG 4.41Å; L542-L546 WeakPolarHBondContact O-CG 3.47Å; L542-L546 PolarHBondContact O-N 2.72Å; L542-I605 HydrophobicContact CD2-CG2 4.3Å
543	I	96.9	Very high	97	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-45.5	174.7	-63.3	-56.2	0	0	0	111.6	S527 I530 L532 L539 T540 S545 L546 K547 P548 I551 I605	S527-I543 WeakPolarHBondContact CB-O 3.36Å; I530-I543 HydrophobicContact CD1-CG2 3.8Å; I530-I543 HydrophobicContact CG1-CG2 4.19Å; L532-I543 HydrophobicContact CB-CG1 4.33Å; L532-I543 HydrophobicContact CD2-CD1 3.76Å; L532-I543 HydrophobicContact CD2-CG1 3.72Å; L539-I543 WeakPolarHBondContact O-CG1 3.13Å; L539-I543 PolarHBondContact O-N 2.79Å; T540-I543 PolarHBondContact O-N 3.41Å; I543-S545 PolarHBondContact O-N 3.38Å; I543-L546 PolarHBondContact O-N 2.86Å; I543-K547 PolarHBondContact O-N 3.41Å; I543-P548 HydrophobicContact CG2-CG 4.23Å; I543-P548 WeakPolarHBondContact O-CD 3.39Å; I543-I551 HydrophobicContact CD1-CD1 3.83Å; I543-I551 HydrophobicContact CG1-CD1 4.36Å; I543-I551 HydrophobicContact CG2-CD1 4.05Å; I543-I605 HydrophobicContact CD1-CD1 3.49Å; I543-I605 VanDerWaalsContact CD1-CD1 3.49Å; I543-I605 HydrophobicContact CD1-CG1 4.08Å; I543-I605 HydrophobicContact CD1-CG2 4.29Å
544	R	97	Very high	96.9	Very high	125 Å²	125	47.9 Å²	47.9	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-65.2	-24.6	176	-74.7	173	179.1	173.6	1.9	113.7	S527 T540 L542 K547	S527-R544 WeakPolarHBondContact O-CG 3.27Å; T540-R544 WeakPolarHBondContact O-CB 3.3Å; T540-R544 WeakPolarHBondContact O-CG 3.35Å; T540-R544 PolarHBondContact O-N 3.31Å; L542-R544 VanDerWaalsContact C-N 3.34Å; L542-R544 PolarHBondContact O-N 3.45Å; R544-K547 WeakPolarHBondContact O-CE 3.41Å; R544-K547 WeakPolarHBondContact O-CG 3.43Å
545	S	96.9	Very high	96.9	Very high	98 Å²	98	47.7 Å²	47.7	69%	0.685	25%	0.246	S	C	*	.	H	α-helix	trans	-81.7	-42.3	174.5	-169.2	0	0	0	0	112.6	P541 L542 I543	P541-S545 PolarHBondContact O-N 3.24Å; P541-S545 VanDerWaalsContact O-N 3.13Å; L542-S545 WeakPolarHBondContact O-CB 3.49Å; L542-S545 PolarHBondContact O-N 3.25Å; I543-S545 PolarHBondContact O-N 3.38Å
546	L	95.6	Very high	96.9	Very high	51 Å²	51	44.4 Å²	44.4	27%	0.267	23%	0.228	S	C	.	.	H	α-helix	trans	-74.2	-30.1	-179.7	-68.3	173.2	0	0	0	113.1	L542 I543 D603 I605	L542-L546 HydrophobicContact CD1-CD1 3.93Å; L542-L546 HydrophobicContact CD1-CG 4.02Å; L542-L546 HydrophobicContact CG-CD1 3.92Å; L542-L546 HydrophobicContact CG-CG 4.41Å; L542-L546 WeakPolarHBondContact O-CG 3.47Å; L542-L546 PolarHBondContact O-N 2.72Å; I543-L546 PolarHBondContact O-N 2.86Å; L546-D603 HydrophobicContact CD1-CB 4.07Å; L546-D603 HydrophobicContact CD2-CB 4.26Å; L546-I605 HydrophobicContact CD1-CG1 4.05Å
547	K	95.7	Very high	96.8	Very high	92 Å²	92	38.2 Å²	38.2	40%	0.4	20%	0.196	S	C	.	.			trans	48.1	56.5	-174.9	-57.4	-156.1	172.4	-146.5	0	113.8	E528 I543 R544 H549	E528-K547 IonicContact OE1-NZ 2.85Å; E528-K547 PolarHBondContact OE1-NZ 2.99Å; I543-K547 PolarHBondContact O-N 3.41Å; R544-K547 WeakPolarHBondContact O-CE 3.41Å; R544-K547 WeakPolarHBondContact O-CG 3.43Å; K547-H549 PolarHBondContact O-CD2 2.84Å
548	P	95.9	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.			trans	-65.6	143.5	174.3	30.5	-35.8	0	0	0	111.1	I543 C550 I551	I543-P548 HydrophobicContact CG2-CG 4.23Å; I543-P548 WeakPolarHBondContact O-CD 3.39Å; P548-C550 WeakPolarHBondContact CB-O 3.39Å; P548-I551 HydrophobicContact CB-CG1 4.33Å; P548-I551 HydrophobicContact CG-CD1 4.23Å; P548-I551 HydrophobicContact CG-CG1 3.86Å
549	H	94.5	Very high	96.4	Very high	22 Å²	22	31.4 Å²	31.4	10%	0.102	16%	0.16	C	C	.	.	S	Bend	trans	-92.8	-12	175.5	-61.7	-152.3	0	0	0	112.2	A481 S522 W523 L526 K547 L588 S590	A481-H549 HydrophobicContact CB-CB 4.42Å; A481-H549 PolarHBondContact N-O 2.77Å; S522-H549 PolarHBondContact O-ND1 2.8Å; W523-H549 WeakPolarHBondContact CB-O 3.47Å; W523-H549 WeakPolarHBondContact O-CA 3.46Å; L526-H549 WeakPolarHBondContact CD2-O 3.26Å; K547-H549 PolarHBondContact O-CD2 2.84Å; H549-L588 PolarHBondContact N-O 3.23Å; H549-S590 PolarHBondContact CE1-OG 3.25Å; H549-S590 PolarHBondContact ND1-OG 2.89Å
550	C	95.7	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.5	168.1	168.9	0	0	0	0	108.1	L479 A481 D482 P548 L588	L479-C550 WeakPolarHBondContact O-CA 3.34Å; L479-C550 PolarHBondContact O-SG 2.75Å; A481-C550 HydrophobicContact CB-CB 4.38Å; D482-C550 HydrophobicContact CB-CB 4.31Å; D482-C550 WeakPolarHBondContact CB-SG 3.5Å; P548-C550 WeakPolarHBondContact CB-O 3.39Å; C550-L588 HydrophobicContact CB-CB 4.08Å; C550-L588 PolarHBondContact N-O 3.49Å; C550-L588 PolarHBondContact O-N 3.48Å
551	I	97.9	Very high	95.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.9	163.5	-65.5	-178.8	0	0	0	107.4	S478 L479 I530 I543 P548 F553 V585	S478-I551 VanDerWaalsContact CA-O 3.28Å; S478-I551 WeakPolarHBondContact CA-O 3.44Å; L479-I551 HydrophobicContact CD2-CB 3.85Å; L479-I551 HydrophobicContact CD2-CG2 4.22Å; L479-I551 HydrophobicContact CG-CB 4.3Å; L479-I551 PolarHBondContact N-O 2.79Å; L479-I551 PolarHBondContact O-N 2.72Å; I530-I551 HydrophobicContact CD1-CD1 3.48Å; I530-I551 VanDerWaalsContact CD1-CD1 3.48Å; I543-I551 HydrophobicContact CD1-CD1 3.83Å; I543-I551 HydrophobicContact CG1-CD1 4.36Å; I543-I551 HydrophobicContact CG2-CD1 4.05Å; P548-I551 HydrophobicContact CB-CG1 4.33Å; P548-I551 HydrophobicContact CG-CD1 4.23Å; P548-I551 HydrophobicContact CG-CG1 3.86Å; I551-F553 HydrophobicContact CG2-CD2 4.3Å; I551-F553 HydrophobicContact CG2-CE1 4.4Å; I551-F553 HydrophobicContact CG2-CE2 3.74Å; I551-F553 HydrophobicContact CG2-CZ 3.78Å; I551-V585 HydrophobicContact CG2-CG1 4.25Å
552	L	98.2	Very high	94.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.8	-176.9	172.7	66.2	0	0	0	108.6	Y476 L554 Y559 P565 I586 L588	Y476-L552 HydrophobicContact CD2-CD1 3.43Å; Y476-L552 VanDerWaalsContact CD2-CD1 3.43Å; Y476-L552 HydrophobicContact CE2-CD1 4.29Å; Y476-L552 HydrophobicContact CG-CD1 3.84Å; L552-L554 HydrophobicContact CD2-CB 4.48Å; L552-L554 HydrophobicContact CD2-CD2 4.48Å; L552-L554 HydrophobicContact CG-CB 4.19Å; L552-Y559 HydrophobicContact CD1-CD2 4.1Å; L552-Y559 HydrophobicContact CD1-CE2 4.24Å; L552-Y559 HydrophobicContact CD2-CD1 4.07Å; L552-Y559 HydrophobicContact CD2-CD2 4.01Å; L552-Y559 HydrophobicContact CD2-CE1 4.34Å; L552-Y559 HydrophobicContact CD2-CE2 4.31Å; L552-Y559 HydrophobicContact CD2-CG 3.92Å; L552-P565 HydrophobicContact CD2-CB 4.19Å; L552-P565 HydrophobicContact CD2-CG 3.95Å; L552-I586 HydrophobicContact CB-CB 4.3Å; L552-I586 HydrophobicContact CD2-CD1 4.38Å; L552-I586 PolarHBondContact N-O 2.7Å; L552-I586 PolarHBondContact O-N 3.18Å; L552-L588 HydrophobicContact CB-CD1 4.12Å; L552-L588 HydrophobicContact CD2-CD1 3.98Å
553	F	98.5	Very high	94.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	104.9	172.2	-61.8	-82.3	0	0	0	107.3	F473 Y476 F477 L479 L532 I551 I583 E584 V585 V611 L613 I637	F473-F553 HydrophobicContact CZ-CB 4.42Å; Y476-F553 CarbonylContact C-O 3.59Å; Y476-F553 WeakPolarHBondContact CA-O 3.46Å; Y476-F553 VanDerWaalsContact CB-O 3.3Å; Y476-F553 WeakPolarHBondContact CB-O 3.4Å; F477-F553 HydrophobicContact CB-CB 4.29Å; F477-F553 AromaticContact CD1-CD2 3.47Å; F477-F553 HydrophobicContact CD1-CD2 3.47Å; F477-F553 VanDerWaalsContact CD1-CD2 3.47Å; F477-F553 AromaticContact CD1-CE2 3.99Å; F477-F553 HydrophobicContact CD1-CE2 3.99Å; F477-F553 HydrophobicContact CD1-CG 4.25Å; F477-F553 HydrophobicContact CE1-CD2 4.08Å; F477-F553 HydrophobicContact CE1-CE2 4.13Å; F477-F553 HydrophobicContact CG-CD2 4.36Å; F477-F553 PolarHBondContact N-O 2.64Å; F477-F553 PolarHBondContact O-N 3.09Å; L479-F553 HydrophobicContact CD2-CD2 4.35Å; L479-F553 HydrophobicContact CD2-CE2 3.68Å; L532-F553 HydrophobicContact CD1-CE1 4.15Å; L532-F553 HydrophobicContact CD1-CZ 3.85Å; I551-F553 HydrophobicContact CG2-CD2 4.3Å; I551-F553 HydrophobicContact CG2-CE1 4.4Å; I551-F553 HydrophobicContact CG2-CE2 3.74Å; I551-F553 HydrophobicContact CG2-CZ 3.78Å; F553-I583 HydrophobicContact CB-CG1 4.01Å; F553-E584 WeakPolarHBondContact CA-O 3.46Å; F553-V585 HydrophobicContact CD1-CB 4.49Å; F553-V585 HydrophobicContact CD1-CG1 4.16Å; F553-V585 HydrophobicContact CD1-CG2 3.87Å; F553-V585 HydrophobicContact CE1-CB 4.48Å; F553-V585 HydrophobicContact CE1-CG1 3.78Å; F553-V585 HydrophobicContact CE1-CG2 3.94Å; F553-V611 HydrophobicContact CD1-CG2 3.95Å; F553-V611 HydrophobicContact CE1-CB 4.27Å; F553-V611 HydrophobicContact CE1-CG1 3.67Å; F553-V611 HydrophobicContact CE1-CG2 3.73Å; F553-V611 HydrophobicContact CZ-CG1 3.94Å; F553-L613 HydrophobicContact CE2-CD2 4.2Å; F553-L613 HydrophobicContact CZ-CD2 4.44Å; F553-I637 HydrophobicContact CD1-CD1 4.07Å; F553-I637 HydrophobicContact CD2-CD1 3.96Å; F553-I637 HydrophobicContact CE1-CD1 4.21Å; F553-I637 HydrophobicContact CE2-CD1 4.06Å; F553-I637 HydrophobicContact CG-CD1 3.95Å; F553-I637 HydrophobicContact CZ-CD1 4.19Å
554	L	98.1	Very high	94.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.3	-165.9	-176.1	67.2	0	0	0	111.4	L552 I556 P565 I583 E584 I586	L552-L554 HydrophobicContact CD2-CB 4.48Å; L552-L554 HydrophobicContact CD2-CD2 4.48Å; L552-L554 HydrophobicContact CG-CB 4.19Å; L554-I556 HydrophobicContact CD1-CG1 4.42Å; L554-I556 WeakPolarHBondContact CD1-O 3.44Å; L554-I556 WeakPolarHBondContact CD2-O 3.27Å; L554-I556 WeakPolarHBondContact CG-O 3.35Å; L554-P565 HydrophobicContact CD2-CG 3.4Å; L554-I583 VanDerWaalsContact O-CD1 3.27Å; L554-I583 WeakPolarHBondContact O-CD1 3.3Å; L554-E584 HydrophobicContact CB-CB 4.32Å; L554-E584 PolarHBondContact N-O 2.84Å; L554-E584 PolarHBondContact O-N 3.02Å; L554-E584 VanDerWaalsContact O-OE2 3.1Å; L554-I586 HydrophobicContact CB-CD1 4.16Å; L554-I586 HydrophobicContact CD2-CD1 3.78Å
555	N	97.5	Very high	94.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.13	C	C	.	.	S	Bend	trans	-107.6	-16.6	179	-177.2	57.3	0	0	0	113.2	L431 D432 W434 F473 N474 N475 I578 I583	L431-N555 WeakPolarHBondContact CD1-ND2 3.19Å; D432-N555 PolarHBondContact O-ND2 2.96Å; W434-N555 VanDerWaalsContact NE1-CG 3.3Å; W434-N555 PolarHBondContact NE1-OD1 2.98Å; F473-N555 HydrophobicContact CE2-CB 4.49Å; N474-N555 PolarHBondContact O-ND2 3.24Å; N475-N555 WeakPolarHBondContact O-CB 3.17Å; N475-N555 PolarHBondContact O-N 2.9Å; N555-I578 WeakPolarHBondContact O-CG2 3.24Å; N555-I583 HydrophobicContact CB-CD1 3.79Å
556	I	95.9	Very high	94.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-123.9	147	179.8	64.2	161	0	0	0	111.3	D400 L401 A404 L431 N475 L554 R558 I578	D400-I556 HydrophobicContact CB-CD1 4.24Å; L401-I556 HydrophobicContact CB-CD1 4.48Å; L401-I556 HydrophobicContact CD1-CG2 4.27Å; A404-I556 HydrophobicContact CB-CB 4.31Å; L431-I556 HydrophobicContact CD1-CG2 4.01Å; N475-I556 HydrophobicContact CB-CD1 3.75Å; N475-I556 HydrophobicContact CB-CG1 3.87Å; N475-I556 WeakPolarHBondContact OD1-CD1 3.09Å; L554-I556 HydrophobicContact CD1-CG1 4.42Å; L554-I556 WeakPolarHBondContact CD1-O 3.44Å; L554-I556 WeakPolarHBondContact CD2-O 3.27Å; L554-I556 WeakPolarHBondContact CG-O 3.35Å; I556-R558 HydrophobicContact CD1-CB 4.33Å; I556-R558 WeakPolarHBondContact CD1-O 3.41Å; I556-R558 WeakPolarHBondContact CG1-O 3.47Å; I556-R558 PolarHBondContact O-N 3.13Å; I556-I578 HydrophobicContact CB-CG2 4.33Å; I556-I578 HydrophobicContact CG2-CG2 4.02Å
557	P	92.4	Very high	94	Very high	20 Å²	20	17.4 Å²	17.4	13%	0.13	10%	0.097	C	C	.	.	S	Bend	trans	-58	-4	178.1	-28.6	34	0	0	0	117.2	L564 Q576	P557-L564 HydrophobicContact CB-CD2 4.45Å; P557-L564 WeakPolarHBondContact O-CD2 3.36Å; P557-Q576 HydrophobicContact CG-CG 4.09Å
558	R	94.2	Very high	93.5	Very high	69 Å²	69	19.7 Å²	19.7	26%	0.26	11%	0.11	S	C	.	.			trans	-124.3	126.4	-169.2	-61.4	-66.6	180	-176.7	-8.1	110.9	D400 R403 A404 I556 G562 T563 L564	D400-R558 HydrophobicContact CB-CB 4.04Å; D400-R558 WeakPolarHBondContact O-CB 3.42Å; R403-R558 HydrophobicContact CB-CB 4.31Å; R403-R558 HydrophobicContact CB-CG 3.77Å; A404-R558 HydrophobicContact CB-CG 4.28Å; I556-R558 HydrophobicContact CD1-CB 4.33Å; I556-R558 WeakPolarHBondContact CD1-O 3.41Å; I556-R558 WeakPolarHBondContact CG1-O 3.47Å; I556-R558 PolarHBondContact O-N 3.13Å; R558-G562 PolarHBondContact NH1-O 2.92Å; R558-T563 WeakPolarHBondContact CA-O 3.27Å; R558-L564 VanDerWaalsContact CZ-CD2 3.49Å
559	Y	93.2	Very high	92.8	Very high	13 Å²	13	21.5 Å²	21.5	5%	0.051	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-140.5	163.9	177.1	159.1	-97	0	0	0	109.3	Y476 D482 L552 S561 G562 T563 P565 L588 L596	Y476-Y559 HydrophobicContact CD1-CD2 4.41Å; Y476-Y559 HydrophobicContact CD2-CD2 4.44Å; Y476-Y559 HydrophobicContact CE1-CD2 4.29Å; Y476-Y559 HydrophobicContact CE2-CD2 4.3Å; Y476-Y559 HydrophobicContact CE2-CE2 4.14Å; Y476-Y559 HydrophobicContact CG-CD2 4.5Å; D482-Y559 PolarHBondContact OD1-OH 3.22Å; L552-Y559 HydrophobicContact CD1-CD2 4.1Å; L552-Y559 HydrophobicContact CD1-CE2 4.24Å; L552-Y559 HydrophobicContact CD2-CD1 4.07Å; L552-Y559 HydrophobicContact CD2-CD2 4.01Å; L552-Y559 HydrophobicContact CD2-CE1 4.34Å; L552-Y559 HydrophobicContact CD2-CE2 4.31Å; L552-Y559 HydrophobicContact CD2-CG 3.92Å; Y559-S561 PolarHBondContact O-N 3.46Å; Y559-G562 CarbonylContact O-C 3.51Å; Y559-G562 PolarHBondContact O-N 2.85Å; Y559-T563 PolarHBondContact N-O 2.88Å; Y559-T563 PolarHBondContact O-N 3.49Å; Y559-T563 PolarHBondContact O-OG1 3.13Å; Y559-P565 HydrophobicContact CD1-CB 4.33Å; Y559-P565 HydrophobicContact CD1-CG 4.05Å; Y559-P565 HydrophobicContact CG-CG 4.27Å; Y559-L588 HydrophobicContact CE1-CD1 4.36Å; Y559-L596 HydrophobicContact CD1-CD1 4.18Å; Y559-L596 HydrophobicContact CE1-CD1 3.72Å
560	G	86.8	Confident	91.8	Very high	16 Å²	16	24.4 Å²	24.4	17%	0.165	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	39	168.8	0	0	0	0	0	115.6	Q597	G560-Q597 PolarHBondContact O-NE2 2.91Å; G560-Q597 VanDerWaalsContact O-NE2 3.17Å
561	S	85.8	Confident	90.7	Very high	18 Å²	18	31.8 Å²	31.8	13%	0.126	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	33.8	-172	-54.6	0	0	0	0	115.7	D400 R403 Y559	D400-S561 VanDerWaalsContact OD1-C 3.3Å; D400-S561 WeakPolarHBondContact OD1-CA 3.39Å; D400-S561 PolarHBondContact OD1-N 2.94Å; D400-S561 WeakPolarHBondContact OD2-CA 3.48Å; D400-S561 PolarHBondContact OD2-N 2.68Å; R403-S561 VanDerWaalsContact CZ-C 3.47Å; R403-S561 PolarHBondContact NH1-O 3.17Å; R403-S561 PolarHBondContact NH2-O 3.08Å; R403-S561 VanDerWaalsContact NH2-O 3.16Å; Y559-S561 PolarHBondContact O-N 3.46Å
562	G	88.4	Confident	90	Very high	14 Å²	14	39.3 Å²	39.3	14%	0.144	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	115.2	8.1	162.8	0	0	0	0	0	116.2	D400 R558 Y559	D400-G562 WeakPolarHBondContact OD1-CA 3.42Å; D400-G562 PolarHBondContact OD1-N 3Å; R558-G562 PolarHBondContact NH1-O 2.92Å; Y559-G562 CarbonylContact O-C 3.51Å; Y559-G562 PolarHBondContact O-N 2.85Å
563	T	92.1	Very high	89.5	Confident	13 Å²	13	40.9 Å²	40.9	8%	0.08	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-69.3	164.1	174.8	67.3	0	0	0	0	111	R558 Y559 P565 L596 Q597	R558-T563 WeakPolarHBondContact CA-O 3.27Å; Y559-T563 PolarHBondContact N-O 2.88Å; Y559-T563 PolarHBondContact O-N 3.49Å; Y559-T563 PolarHBondContact O-OG1 3.13Å; T563-P565 WeakPolarHBondContact O-CD 3.44Å; T563-L596 HydrophobicContact CG2-CB 4.17Å; T563-L596 VanDerWaalsContact CG2-O 3.29Å; T563-L596 WeakPolarHBondContact CG2-O 3.31Å; T563-Q597 VanDerWaalsContact CG2-NE2 3.31Å
564	L	94	Very high	88.9	Confident	58 Å²	58	47 Å²	47	30%	0.304	26%	0.256	S	S	.	.			trans	-116.4	76.9	-177.5	-61.8	177.9	0	0	0	109.1	P557 R558 W566 G567	P557-L564 HydrophobicContact CB-CD2 4.45Å; P557-L564 WeakPolarHBondContact O-CD2 3.36Å; R558-L564 VanDerWaalsContact CZ-CD2 3.49Å; L564-W566 VanDerWaalsContact C-N 3.26Å; L564-W566 PolarHBondContact O-N 2.82Å; L564-G567 WeakPolarHBondContact O-CA 3.4Å; L564-G567 PolarHBondContact O-N 3.49Å
565	P	94.6	Very high	88.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.4	-173.6	31.8	-39.9	0	0	0	113.7	L552 L554 Y559 T563 I586 L596 H601 G602	L552-P565 HydrophobicContact CD2-CB 4.19Å; L552-P565 HydrophobicContact CD2-CG 3.95Å; L554-P565 HydrophobicContact CD2-CG 3.4Å; Y559-P565 HydrophobicContact CD1-CB 4.33Å; Y559-P565 HydrophobicContact CD1-CG 4.05Å; Y559-P565 HydrophobicContact CG-CG 4.27Å; T563-P565 WeakPolarHBondContact O-CD 3.44Å; P565-I586 HydrophobicContact CB-CD1 4.02Å; P565-I586 HydrophobicContact CG-CD1 3.97Å; P565-L596 HydrophobicContact CB-CD2 3.82Å; P565-H601 WeakPolarHBondContact O-CB 3.39Å; P565-G602 PolarHBondContact O-N 2.73Å
566	W	94.9	Very high	88	Confident	3 Å²	3	52 Å²	52	1%	0.011	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-29.9	167.8	-165	-120.9	0	0	0	112.2	L564 F573 Q574 Q576 E584 I586 R604 Q607	L564-W566 VanDerWaalsContact C-N 3.26Å; L564-W566 PolarHBondContact O-N 2.82Å; W566-F573 AromaticContact CH2-CD1 3.66Å; W566-F573 HydrophobicContact CH2-CD1 3.66Å; W566-F573 AromaticContact CH2-CE1 4Å; W566-F573 HydrophobicContact CH2-CE1 4Å; W566-F573 HydrophobicContact CH2-CG 4.32Å; W566-F573 HydrophobicContact CZ2-CB 3.88Å; W566-F573 AromaticContact CZ2-CD1 3.58Å; W566-F573 HydrophobicContact CZ2-CD1 3.58Å; W566-F573 HydrophobicContact CZ2-CE1 4.38Å; W566-F573 AromaticContact CZ2-CG 3.92Å; W566-F573 HydrophobicContact CZ2-CG 3.92Å; W566-Q574 PolarHBondContact NE1-O 3.11Å; W566-Q576 HydrophobicContact CG-CB 4.27Å; W566-E584 HydrophobicContact CD2-CB 4.09Å; W566-E584 HydrophobicContact CD2-CG 3.36Å; W566-E584 HydrophobicContact CE3-CB 3.63Å; W566-E584 HydrophobicContact CE3-CG 3.43Å; W566-E584 VanDerWaalsContact CE3-CG 3.43Å; W566-E584 HydrophobicContact CG-CG 3.9Å; W566-E584 HydrophobicContact CH2-CB 4.4Å; W566-E584 HydrophobicContact CH2-CG 3.97Å; W566-E584 HydrophobicContact CZ2-CG 3.89Å; W566-E584 HydrophobicContact CZ3-CB 3.8Å; W566-E584 HydrophobicContact CZ3-CG 3.73Å; W566-I586 HydrophobicContact CB-CD1 4.33Å; W566-I586 HydrophobicContact CE3-CD1 3.9Å; W566-I586 HydrophobicContact CE3-CG1 3.81Å; W566-I586 HydrophobicContact CZ3-CG1 4.14Å; W566-R604 HydrophobicContact CD2-CG 3.99Å; W566-R604 HydrophobicContact CE3-CB 4.26Å; W566-R604 HydrophobicContact CE3-CG 3.61Å; W566-R604 HydrophobicContact CH2-CB 3.85Å; W566-R604 HydrophobicContact CH2-CG 3.96Å; W566-R604 HydrophobicContact CZ2-CG 4.32Å; W566-R604 HydrophobicContact CZ3-CB 3.72Å; W566-R604 HydrophobicContact CZ3-CG 3.61Å; W566-R604 PolarHBondContact O-NH1 2.81Å; W566-Q607 HydrophobicContact CH2-CG 3.75Å; W566-Q607 HydrophobicContact CZ2-CG 3.52Å
567	G	89.5	Confident	87.6	Confident	25 Å²	25	56.6 Å²	56.6	26%	0.258	30%	0.304	S	S	.	.			trans	72.7	-153.8	-174.3	0	0	0	0	0	113	L564	L564-G567 WeakPolarHBondContact O-CA 3.4Å; L564-G567 PolarHBondContact O-N 3.49Å
568	Q	86	Confident	87.6	Confident	141 Å²	141	55.7 Å²	55.7	66%	0.659	30%	0.298	S	S	*	.	S	Bend	trans	-96.4	116.1	162	-72.2	171	-45.3	0	0	107.2
569	P	79.9	Confident	87.4	Confident	38 Å²	38	53.3 Å²	53.3	25%	0.247	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-70.7	150.9	-178.6	24.9	-30.5	0	0	0	112.5	F573 Q574	P569-F573 HydrophobicContact CB-CB 3.7Å; P569-Q574 WeakPolarHBondContact CG-O 3.34Å
570	T	75.2	Confident	87.2	Confident	83 Å²	83	53.8 Å²	53.8	51%	0.509	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-79.4	172.1	164.9	46.7	0	0	0	0	110.4	E572 F573	T570-E572 PolarHBondContact O-N 2.87Å; T570-F573 PolarHBondContact O-N 3.31Å; T570-F573 VanDerWaalsContact O-O 3.09Å
571	T	71.8	Confident	87.3	Confident	154 Å²	154	53 Å²	53	95%	0.945	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-1.5	-178.3	53	0	0	0	0	116.7
572	E	82.3	Confident	87.8	Confident	160 Å²	160	56 Å²	56	75%	0.748	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-25.5	173.3	-177.3	175.2	-158	0	0	112.6	T570	T570-E572 PolarHBondContact O-N 2.87Å
573	F	88.6	Confident	88.2	Confident	33 Å²	33	55.3 Å²	55.3	15%	0.145	29%	0.288	C	S	.	.	S	Bend	trans	-125.9	151.5	-174.8	-68	-83.4	0	0	0	111	W566 P569 T570 R604	W566-F573 AromaticContact CH2-CD1 3.66Å; W566-F573 HydrophobicContact CH2-CD1 3.66Å; W566-F573 AromaticContact CH2-CE1 4Å; W566-F573 HydrophobicContact CH2-CE1 4Å; W566-F573 HydrophobicContact CH2-CG 4.32Å; W566-F573 HydrophobicContact CZ2-CB 3.88Å; W566-F573 AromaticContact CZ2-CD1 3.58Å; W566-F573 HydrophobicContact CZ2-CD1 3.58Å; W566-F573 HydrophobicContact CZ2-CE1 4.38Å; W566-F573 AromaticContact CZ2-CG 3.92Å; W566-F573 HydrophobicContact CZ2-CG 3.92Å; P569-F573 HydrophobicContact CB-CB 3.7Å; T570-F573 PolarHBondContact O-N 3.31Å; T570-F573 VanDerWaalsContact O-O 3.09Å; F573-R604 HydrophobicContact CD2-CB 4.31Å; F573-R604 HydrophobicContact CE1-CB 4.19Å; F573-R604 HydrophobicContact CE2-CB 3.92Å; F573-R604 HydrophobicContact CZ-CB 3.84Å
574	Q	86	Confident	88.5	Confident	128 Å²	128	54.7 Å²	54.7	60%	0.598	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-83.3	151.9	176.8	-64.2	-57.8	-33.6	0	0	111.5	W566 P569 Q576 Q607	W566-Q574 PolarHBondContact NE1-O 3.11Å; P569-Q574 WeakPolarHBondContact CG-O 3.34Å; Q574-Q576 PolarHBondContact O-N 2.85Å; Q574-Q607 PolarHBondContact O-NE2 2.97Å
575	P	86.4	Confident	88.7	Confident	82 Å²	82	52 Å²	52	53%	0.532	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-54.5	129.4	167.1	-23.2	34.3	0	0	0	110.6	R577	P575-R577 PolarHBondContact O-N 2.74Å
576	Q	89.6	Confident	88.8	Confident	24 Å²	24	52 Å²	52	11%	0.112	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-60.3	130.3	-178.7	175.2	165.7	34.9	0	0	111.5	P557 W566 Q574 E584	P557-Q576 HydrophobicContact CG-CG 4.09Å; W566-Q576 HydrophobicContact CG-CB 4.27Å; Q574-Q576 PolarHBondContact O-N 2.85Å; Q576-E584 HydrophobicContact CB-CG 4.4Å; Q576-E584 VanDerWaalsContact CD-OE2 3.3Å; Q576-E584 VanDerWaalsContact CG-CD 3.45Å; Q576-E584 HydrophobicContact CG-CG 4.18Å; Q576-E584 VanDerWaalsContact CG-OE2 3.3Å; Q576-E584 WeakPolarHBondContact CG-OE2 3.39Å; Q576-E584 PolarHBondContact NE2-OE2 3.07Å
577	R	88.2	Confident	89	Confident	96 Å²	96	51.8 Å²	51.8	36%	0.362	27%	0.27	S	S	.	.			trans	-111	-174	175.4	-74.4	-174.5	65.7	168.7	1.5	110.1	P575 D579 D580 W668	P575-R577 PolarHBondContact O-N 2.74Å; R577-D579 WeakPolarHBondContact CB-OD1 3.23Å; R577-D579 IonicContact CZ-OD1 3.75Å; R577-D579 IonicContact CZ-OD2 2.66Å; R577-D579 IonicContact NE-OD1 2.69Å; R577-D579 PolarHBondContact NE-OD1 3.07Å; R577-D579 IonicContact NE-OD2 2.66Å; R577-D579 IonicContact NH2-OD1 3.43Å; R577-D579 PolarHBondContact NH2-OD1 3.46Å; R577-D579 IonicContact NH2-OD2 3.92Å; R577-D579 PolarHBondContact NH2-OD2 2.84Å; R577-D580 HydrophobicContact CB-CB 4.26Å; R577-D580 WeakPolarHBondContact CB-OD2 3.31Å; R577-W668 HydrophobicContact CG-CZ3 4.31Å
578	I	93.1	Very high	89.2	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.257	C	S	.	.	S	Bend	trans	-131.2	7.8	174.6	70.7	168.6	0	0	0	112.2	L405 I429 L431 D432 N555 I556 W668	L405-I578 HydrophobicContact CD2-CD1 4.19Å; I429-I578 HydrophobicContact CD1-CD1 3.78Å; I429-I578 HydrophobicContact CG1-CD1 4.35Å; L431-I578 CarbonylContact C-O 3.11Å; L431-I578 WeakPolarHBondContact CA-O 3.47Å; L431-I578 HydrophobicContact CD1-CB 4.18Å; L431-I578 HydrophobicContact CD1-CD1 4.19Å; D432-I578 PolarHBondContact N-O 2.81Å; N555-I578 WeakPolarHBondContact O-CG2 3.24Å; I556-I578 HydrophobicContact CB-CG2 4.33Å; I556-I578 HydrophobicContact CG2-CG2 4.02Å; I578-W668 HydrophobicContact CG1-CH2 4.42Å; I578-W668 HydrophobicContact CG2-CH2 4.36Å
579	D	89.6	Confident	89.6	Confident	19 Å²	19	45.2 Å²	45.2	10%	0.102	23%	0.234	C	C	.	.	S	Bend	trans	-148.8	2.3	-159.2	63.9	-32.1	0	0	0	114.4	A430 D432 R577 Q642 R676	A430-D579 HydrophobicContact CB-CB 4.02Å; D432-D579 VanDerWaalsContact OD2-CA 3.22Å; D432-D579 WeakPolarHBondContact OD2-CA 3.45Å; D432-D579 PolarHBondContact OD2-N 3.26Å; R577-D579 WeakPolarHBondContact CB-OD1 3.23Å; R577-D579 IonicContact CZ-OD1 3.75Å; R577-D579 IonicContact CZ-OD2 2.66Å; R577-D579 IonicContact NE-OD1 2.69Å; R577-D579 PolarHBondContact NE-OD1 3.07Å; R577-D579 IonicContact NE-OD2 2.66Å; R577-D579 IonicContact NH2-OD1 3.43Å; R577-D579 PolarHBondContact NH2-OD1 3.46Å; R577-D579 IonicContact NH2-OD2 3.92Å; R577-D579 PolarHBondContact NH2-OD2 2.84Å; D579-Q642 PolarHBondContact O-NE2 2.87Å; D579-R676 VanDerWaalsContact O-CD 3.3Å; D579-R676 WeakPolarHBondContact O-CD 3.36Å; D579-R676 PolarHBondContact O-NE 2.99Å
580	D	88.2	Confident	90	Very high	22 Å²	22	44.1 Å²	44.1	12%	0.118	23%	0.227	C	C	.	.	S	Bend	trans	-97.8	-5.6	-176.5	66.3	4.6	0	0	0	114.6	D432 R577 Y582 R609 R676	D432-D580 PolarHBondContact OD2-N 3.01Å; D432-D580 VanDerWaalsContact OD2-N 3.11Å; R577-D580 HydrophobicContact CB-CB 4.26Å; R577-D580 WeakPolarHBondContact CB-OD2 3.31Å; D580-Y582 HydrophobicContact CB-CD2 4.34Å; D580-Y582 PolarHBondContact OD1-N 3.14Å; D580-R609 PolarHBondContact O-NH1 3.04Å; D580-R609 PolarHBondContact O-NH2 2.88Å; D580-R609 VanDerWaalsContact O-NH2 3.17Å; D580-R676 VanDerWaalsContact C-NE 3.27Å
581	G	90.2	Very high	90.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	76.9	23.6	-179.9	0	0	0	0	0	114.4	D432 W434 R609 R676	D432-G581 VanDerWaalsContact OD2-CA 3.23Å; D432-G581 WeakPolarHBondContact OD2-CA 3.36Å; D432-G581 PolarHBondContact OD2-N 2.89Å; W434-G581 WeakPolarHBondContact CH2-O 3.47Å; G581-R609 VanDerWaalsContact CA-NH1 3.28Å; G581-R609 PolarHBondContact O-NH1 2.83Å; G581-R676 VanDerWaalsContact CA-CZ 3.44Å
582	Y	94.6	Very high	91.7	Very high	80 Å²	80	38 Å²	38	31%	0.314	19%	0.19	S	C	.	.			trans	-107.2	143.9	169	-68.4	-78.9	0	0	0	111.2	W434 D580 Q607 C608 R609	W434-Y582 WeakPolarHBondContact CZ2-O 3.43Å; D580-Y582 HydrophobicContact CB-CD2 4.34Å; D580-Y582 PolarHBondContact OD1-N 3.14Å; Y582-Q607 HydrophobicContact CD1-CB 4.38Å; Y582-Q607 HydrophobicContact CG-CB 4.47Å; Y582-C608 CarbonylContact C-O 3.39Å; Y582-C608 VanDerWaalsContact CA-O 3.32Å; Y582-C608 WeakPolarHBondContact CA-O 3.09Å; Y582-R609 HydrophobicContact CD1-CG 3.85Å; Y582-R609 HydrophobicContact CE1-CG 3.59Å; Y582-R609 VanDerWaalsContact CE2-CZ 3.47Å; Y582-R609 VanDerWaalsContact CZ-CZ 3.43Å; Y582-R609 PolarHBondContact OH-NE 3.47Å; Y582-R609 PolarHBondContact OH-NH2 3.47Å
583	I	97.6	Very high	92	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.7	170.3	-164.7	79.3	0	0	0	109	W434 F473 F553 L554 N555 V585 Q607 C608 V611	W434-I583 HydrophobicContact CD2-CB 4.21Å; W434-I583 HydrophobicContact CD2-CD1 3.89Å; W434-I583 HydrophobicContact CD2-CG1 4.48Å; W434-I583 HydrophobicContact CE3-CB 4.07Å; W434-I583 HydrophobicContact CE3-CD1 4.46Å; W434-I583 HydrophobicContact CE3-CG2 4.4Å; W434-I583 HydrophobicContact CG-CD1 4.06Å; W434-I583 HydrophobicContact CH2-CB 3.64Å; W434-I583 HydrophobicContact CH2-CG2 4.08Å; W434-I583 HydrophobicContact CZ2-CB 3.78Å; W434-I583 HydrophobicContact CZ2-CD1 4.37Å; W434-I583 HydrophobicContact CZ3-CB 3.78Å; W434-I583 HydrophobicContact CZ3-CG2 3.9Å; F473-I583 HydrophobicContact CE2-CD1 3.8Å; F473-I583 HydrophobicContact CZ-CD1 3.89Å; F553-I583 HydrophobicContact CB-CG1 4.01Å; L554-I583 VanDerWaalsContact O-CD1 3.27Å; L554-I583 WeakPolarHBondContact O-CD1 3.3Å; N555-I583 HydrophobicContact CB-CD1 3.79Å; I583-V585 HydrophobicContact CG2-CG2 4.33Å; I583-V585 PolarHBondContact O-N 3.26Å; I583-Q607 WeakPolarHBondContact O-CA 3Å; I583-C608 PolarHBondContact N-O 2.98Å; I583-C608 PolarHBondContact O-N 2.87Å; I583-V611 HydrophobicContact CG2-CG2 4.14Å
584	E	97.4	Very high	92	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	119.1	170.8	-79.7	70	-154.1	0	0	110.1	F553 L554 W566 Q576 I586 Q607	F553-E584 WeakPolarHBondContact CA-O 3.46Å; L554-E584 HydrophobicContact CB-CB 4.32Å; L554-E584 PolarHBondContact N-O 2.84Å; L554-E584 PolarHBondContact O-N 3.02Å; L554-E584 VanDerWaalsContact O-OE2 3.1Å; W566-E584 HydrophobicContact CD2-CB 4.09Å; W566-E584 HydrophobicContact CD2-CG 3.36Å; W566-E584 HydrophobicContact CE3-CB 3.63Å; W566-E584 HydrophobicContact CE3-CG 3.43Å; W566-E584 VanDerWaalsContact CE3-CG 3.43Å; W566-E584 HydrophobicContact CG-CG 3.9Å; W566-E584 HydrophobicContact CH2-CB 4.4Å; W566-E584 HydrophobicContact CH2-CG 3.97Å; W566-E584 HydrophobicContact CZ2-CG 3.89Å; W566-E584 HydrophobicContact CZ3-CB 3.8Å; W566-E584 HydrophobicContact CZ3-CG 3.73Å; Q576-E584 HydrophobicContact CB-CG 4.4Å; Q576-E584 VanDerWaalsContact CD-OE2 3.3Å; Q576-E584 VanDerWaalsContact CG-CD 3.45Å; Q576-E584 HydrophobicContact CG-CG 4.18Å; Q576-E584 VanDerWaalsContact CG-OE2 3.3Å; Q576-E584 WeakPolarHBondContact CG-OE2 3.39Å; Q576-E584 PolarHBondContact NE2-OE2 3.07Å; E584-I586 HydrophobicContact CB-CD1 4.22Å; E584-I586 HydrophobicContact CB-CG1 4.19Å; E584-Q607 HydrophobicContact CG-CG 4.11Å; E584-Q607 PolarHBondContact OE1-NE2 3.24Å
585	V	98.3	Very high	92.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.8	173.3	-169.9	0	0	0	0	108.8	L532 I551 F553 I583 I605 C606	L532-V585 HydrophobicContact CD2-CG1 4.23Å; I551-V585 HydrophobicContact CG2-CG1 4.25Å; F553-V585 HydrophobicContact CD1-CB 4.49Å; F553-V585 HydrophobicContact CD1-CG1 4.16Å; F553-V585 HydrophobicContact CD1-CG2 3.87Å; F553-V585 HydrophobicContact CE1-CB 4.48Å; F553-V585 HydrophobicContact CE1-CG1 3.78Å; F553-V585 HydrophobicContact CE1-CG2 3.94Å; I583-V585 HydrophobicContact CG2-CG2 4.33Å; I583-V585 PolarHBondContact O-N 3.26Å; V585-I605 HydrophobicContact CB-CB 4.16Å; V585-I605 HydrophobicContact CB-CG2 4.36Å; V585-I605 HydrophobicContact CG1-CB 4.06Å; V585-I605 HydrophobicContact CG1-CD1 3.97Å; V585-I605 HydrophobicContact CG1-CG2 4.06Å; V585-I605 WeakPolarHBondContact O-CB 3.32Å; V585-I605 PolarHBondContact O-N 3.34Å; V585-C606 WeakPolarHBondContact CG2-SG 3.13Å; V585-C606 PolarHBondContact N-O 3.2Å
586	I	97.9	Very high	92.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.5	-168.8	-46.2	-176.3	0	0	0	110.7	L552 L554 P565 W566 E584 L588 D603	L552-I586 HydrophobicContact CB-CB 4.3Å; L552-I586 HydrophobicContact CD2-CD1 4.38Å; L552-I586 PolarHBondContact N-O 2.7Å; L552-I586 PolarHBondContact O-N 3.18Å; L554-I586 HydrophobicContact CB-CD1 4.16Å; L554-I586 HydrophobicContact CD2-CD1 3.78Å; P565-I586 HydrophobicContact CB-CD1 4.02Å; P565-I586 HydrophobicContact CG-CD1 3.97Å; W566-I586 HydrophobicContact CB-CD1 4.33Å; W566-I586 HydrophobicContact CE3-CD1 3.9Å; W566-I586 HydrophobicContact CE3-CG1 3.81Å; W566-I586 HydrophobicContact CZ3-CG1 4.14Å; E584-I586 HydrophobicContact CB-CD1 4.22Å; E584-I586 HydrophobicContact CB-CG1 4.19Å; I586-L588 HydrophobicContact CG2-CD2 4.25Å; I586-L588 HydrophobicContact CG2-CG 4.37Å; I586-D603 WeakPolarHBondContact CA-O 3.23Å
587	G	97.5	Very high	92.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.5	171.3	0	0	0	0	0	110.4	G602 D603 I605	G587-G602 WeakPolarHBondContact O-CA 3.42Å; G587-D603 PolarHBondContact N-O 3.18Å; G587-D603 PolarHBondContact O-N 3.38Å; G587-I605 VanDerWaalsContact N-CD1 3.25Å
588	L	95.5	Very high	92.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	96.6	178.5	-69.2	176.2	0	0	0	111	H549 C550 L552 Y559 I586 S592 L593 L596	H549-L588 PolarHBondContact N-O 3.23Å; C550-L588 HydrophobicContact CB-CB 4.08Å; C550-L588 PolarHBondContact N-O 3.49Å; C550-L588 PolarHBondContact O-N 3.48Å; L552-L588 HydrophobicContact CB-CD1 4.12Å; L552-L588 HydrophobicContact CD2-CD1 3.98Å; Y559-L588 HydrophobicContact CE1-CD1 4.36Å; I586-L588 HydrophobicContact CG2-CD2 4.25Å; I586-L588 HydrophobicContact CG2-CG 4.37Å; L588-S592 VanDerWaalsContact CA-OG 3.27Å; L588-S592 WeakPolarHBondContact CA-OG 3.12Å; L588-S592 WeakPolarHBondContact CD2-OG 3.03Å; L588-L593 HydrophobicContact CB-CD2 3.99Å; L588-L593 HydrophobicContact CB-CG 4.07Å; L588-L593 HydrophobicContact CD1-CD2 4.01Å; L588-L593 HydrophobicContact CG-CD2 4.45Å; L588-L596 HydrophobicContact CD1-CD1 4.46Å; L588-L596 HydrophobicContact CD2-CD1 4.14Å; L588-L596 HydrophobicContact CD2-CD2 4.39Å
589	T	93.5	Very high	92	Very high	28 Å²	28	36 Å²	36	17%	0.172	22%	0.215	C	C	.	.			trans	-73.8	165.3	167.4	62.2	0	0	0	0	111.6	T591 S592 L593	T589-T591 PolarHBondContact O-N 3.49Å; T589-T591 VanDerWaalsContact O-N 3.14Å; T589-S592 PolarHBondContact N-OG 3.48Å; T589-S592 PolarHBondContact O-N 3.25Å; T589-S592 PolarHBondContact O-OG 3.45Å; T589-S592 PolarHBondContact OG1-N 2.88Å; T589-S592 PolarHBondContact OG1-OG 2.89Å; T589-L593 WeakPolarHBondContact O-CG 3.39Å; T589-L593 PolarHBondContact O-N 3.47Å
590	S	88.7	Confident	92.2	Very high	14 Å²	14	36.1 Å²	36.1	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-52.7	-34	171	-65	0	0	0	0	113.7	L518 R521 H549 A594	L518-S590 VanDerWaalsContact CD1-O 3.23Å; L518-S590 WeakPolarHBondContact CD1-O 3.47Å; R521-S590 WeakPolarHBondContact CG-OG 3.42Å; H549-S590 PolarHBondContact CE1-OG 3.25Å; H549-S590 PolarHBondContact ND1-OG 2.89Å; S590-A594 WeakPolarHBondContact O-CB 3.48Å; S590-A594 PolarHBondContact O-N 2.83Å; S590-A594 VanDerWaalsContact O-N 3.08Å
591	T	89.7	Confident	92.4	Very high	104 Å²	104	38.9 Å²	38.9	64%	0.638	23%	0.232	S	C	*	.	H	α-helix	trans	-70.9	-44.2	-179.9	-51.8	0	0	0	0	111.8	T589 A594 T595	T589-T591 PolarHBondContact O-N 3.49Å; T589-T591 VanDerWaalsContact O-N 3.14Å; T591-A594 PolarHBondContact O-N 3.05Å; T591-T595 WeakPolarHBondContact O-CG2 3.45Å; T591-T595 PolarHBondContact O-N 3.33Å; T591-T595 VanDerWaalsContact O-N 3.17Å; T591-T595 PolarHBondContact O-OG1 3.05Å
592	S	92.4	Very high	92.6	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-48.2	174.9	63.9	0	0	0	0	111.3	L588 T589 A594 T595 L596 H601	L588-S592 VanDerWaalsContact CA-OG 3.27Å; L588-S592 WeakPolarHBondContact CA-OG 3.12Å; L588-S592 WeakPolarHBondContact CD2-OG 3.03Å; T589-S592 PolarHBondContact N-OG 3.48Å; T589-S592 PolarHBondContact O-N 3.25Å; T589-S592 PolarHBondContact O-OG 3.45Å; T589-S592 PolarHBondContact OG1-N 2.88Å; T589-S592 PolarHBondContact OG1-OG 2.89Å; S592-A594 VanDerWaalsContact C-N 3.25Å; S592-A594 PolarHBondContact O-N 2.69Å; S592-T595 WeakPolarHBondContact CA-OG1 3.49Å; S592-T595 CarbonylContact O-C 3.55Å; S592-T595 PolarHBondContact O-N 2.97Å; S592-T595 PolarHBondContact O-OG1 2.77Å; S592-T595 VanDerWaalsContact O-OG1 3.09Å; S592-L596 WeakPolarHBondContact O-CG 3.49Å; S592-L596 PolarHBondContact O-N 3.21Å; S592-H601 WeakPolarHBondContact CB-O 3.32Å
593	L	89.6	Confident	92.7	Very high	39 Å²	39	37.7 Å²	37.7	20%	0.204	23%	0.231	C	C	.	.	H	α-helix	trans	-53.4	-40.8	176.3	-71.8	170.9	0	0	0	112.7	A481 L518 L588 T589 L596	A481-L593 HydrophobicContact CB-CD1 4.33Å; L518-L593 HydrophobicContact CD1-CB 4.49Å; L588-L593 HydrophobicContact CB-CD2 3.99Å; L588-L593 HydrophobicContact CB-CG 4.07Å; L588-L593 HydrophobicContact CD1-CD2 4.01Å; L588-L593 HydrophobicContact CG-CD2 4.45Å; T589-L593 WeakPolarHBondContact O-CG 3.39Å; T589-L593 PolarHBondContact O-N 3.47Å; L593-L596 HydrophobicContact CD2-CD1 4.43Å
594	A	87.8	Confident	92.6	Very high	55 Å²	55	40.2 Å²	40.2	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-68.4	-30.8	175.6	0	0	0	0	0	113.6	L518 S590 T591 S592	L518-A594 HydrophobicContact CD1-CB 4.43Å; L518-A594 HydrophobicContact CD2-CB 3.88Å; S590-A594 WeakPolarHBondContact O-CB 3.48Å; S590-A594 PolarHBondContact O-N 2.83Å; S590-A594 VanDerWaalsContact O-N 3.08Å; T591-A594 PolarHBondContact O-N 3.05Å; S592-A594 VanDerWaalsContact C-N 3.25Å; S592-A594 PolarHBondContact O-N 2.69Å
595	T	91	Very high	92.5	Very high	47 Å²	47	40.7 Å²	40.7	29%	0.288	24%	0.243	S	C	.	.	H	α-helix	trans	-96.9	-17.2	-174.1	52.7	0	0	0	0	114.5	T591 S592 Q597 I598 G599 G600	T591-T595 WeakPolarHBondContact O-CG2 3.45Å; T591-T595 PolarHBondContact O-N 3.33Å; T591-T595 VanDerWaalsContact O-N 3.17Å; T591-T595 PolarHBondContact O-OG1 3.05Å; S592-T595 WeakPolarHBondContact CA-OG1 3.49Å; S592-T595 CarbonylContact O-C 3.55Å; S592-T595 PolarHBondContact O-N 2.97Å; S592-T595 PolarHBondContact O-OG1 2.77Å; S592-T595 VanDerWaalsContact O-OG1 3.09Å; T595-Q597 PolarHBondContact O-N 3.33Å; T595-Q597 VanDerWaalsContact O-N 3.12Å; T595-I598 HydrophobicContact CG2-CD1 4.35Å; T595-I598 WeakPolarHBondContact O-CG1 3.44Å; T595-I598 PolarHBondContact O-N 3.44Å; T595-G599 PolarHBondContact O-N 3.26Å; T595-G600 WeakPolarHBondContact O-CA 3.27Å; T595-G600 PolarHBondContact O-N 3.04Å
596	L	90.7	Very high	92.4	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-49.8	-40.1	177.1	-75.3	-178	0	0	0	113.5	Y559 T563 P565 L588 S592 L593 I598 G599 G600	Y559-L596 HydrophobicContact CD1-CD1 4.18Å; Y559-L596 HydrophobicContact CE1-CD1 3.72Å; T563-L596 HydrophobicContact CG2-CB 4.17Å; T563-L596 VanDerWaalsContact CG2-O 3.29Å; T563-L596 WeakPolarHBondContact CG2-O 3.31Å; P565-L596 HydrophobicContact CB-CD2 3.82Å; L588-L596 HydrophobicContact CD1-CD1 4.46Å; L588-L596 HydrophobicContact CD2-CD1 4.14Å; L588-L596 HydrophobicContact CD2-CD2 4.39Å; S592-L596 WeakPolarHBondContact O-CG 3.49Å; S592-L596 PolarHBondContact O-N 3.21Å; L593-L596 HydrophobicContact CD2-CD1 4.43Å; L596-I598 VanDerWaalsContact C-N 3.26Å; L596-I598 PolarHBondContact O-N 2.75Å; L596-G599 PolarHBondContact O-N 2.64Å; L596-G600 WeakPolarHBondContact CD2-O 3.23Å
597	Q	86.4	Confident	92.3	Very high	116 Å²	116	43.4 Å²	43.4	54%	0.542	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-76	-10.4	-178	-61	-69.4	-43.3	0	0	113.7	G560 T563 T595	G560-Q597 PolarHBondContact O-NE2 2.91Å; G560-Q597 VanDerWaalsContact O-NE2 3.17Å; T563-Q597 VanDerWaalsContact CG2-NE2 3.31Å; T595-Q597 PolarHBondContact O-N 3.33Å; T595-Q597 VanDerWaalsContact O-N 3.12Å
598	I	88.2	Confident	92.3	Very high	146 Å²	146	43.5 Å²	43.5	75%	0.749	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-111.1	15.3	173.6	63.6	168	0	0	0	112.9	T595 L596	T595-I598 HydrophobicContact CG2-CD1 4.35Å; T595-I598 WeakPolarHBondContact O-CG1 3.44Å; T595-I598 PolarHBondContact O-N 3.44Å; L596-I598 VanDerWaalsContact C-N 3.26Å; L596-I598 PolarHBondContact O-N 2.75Å
599	G	88	Confident	92.2	Very high	72 Å²	72	48 Å²	48	74%	0.742	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	7.7	178.4	0	0	0	0	0	115.4	T595 L596	T595-G599 PolarHBondContact O-N 3.26Å; L596-G599 PolarHBondContact O-N 2.64Å
600	G	92	Very high	92.4	Very high	21 Å²	21	52 Å²	52	22%	0.216	29%	0.287	C	S	.	.			trans	-65.8	163.5	166.1	0	0	0	0	0	112.3	T595 L596	T595-G600 WeakPolarHBondContact O-CA 3.27Å; T595-G600 PolarHBondContact O-N 3.04Å; L596-G600 WeakPolarHBondContact CD2-O 3.23Å
601	H	94	Very high	92.9	Very high	80 Å²	80	51.3 Å²	51.3	37%	0.37	28%	0.283	S	S	.	.			trans	-124.9	170	177	63.9	65	0	0	0	110.7	P565 S592 R604	P565-H601 WeakPolarHBondContact O-CB 3.39Å; S592-H601 WeakPolarHBondContact CB-O 3.32Å; H601-R604 PolarHBondContact CD2-NH1 2.6Å; H601-R604 PolarHBondContact CE1-NH1 3.46Å; H601-R604 PolarHBondContact CE1-NH2 3.33Å; H601-R604 PolarHBondContact ND1-NH1 3.08Å; H601-R604 PolarHBondContact NE2-NH1 3.38Å; H601-R604 PolarHBondContact NE2-NH2 3.14Å
602	G	94.6	Very high	93.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.			trans	-84.3	179.3	171.8	0	0	0	0	0	113.1	P565 G587 R604	P565-G602 PolarHBondContact O-N 2.73Å; G587-G602 WeakPolarHBondContact O-CA 3.42Å; G602-R604 PolarHBondContact O-N 2.81Å
603	D	95	Very high	93.6	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.294	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116	172.6	-59.6	-67.9	0	0	0	108.9	L546 I586 G587 I605	L546-D603 HydrophobicContact CD1-CB 4.07Å; L546-D603 HydrophobicContact CD2-CB 4.26Å; I586-D603 WeakPolarHBondContact CA-O 3.23Å; G587-D603 PolarHBondContact N-O 3.18Å; G587-D603 PolarHBondContact O-N 3.38Å; D603-I605 PolarHBondContact O-N 2.99Å
604	R	95.6	Very high	93.9	Very high	52 Å²	52	48.4 Å²	48.4	20%	0.196	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	114	-178.9	-66.8	-179.6	-81.6	-79.9	-7.3	109.5	W566 F573 H601 G602	W566-R604 HydrophobicContact CD2-CG 3.99Å; W566-R604 HydrophobicContact CE3-CB 4.26Å; W566-R604 HydrophobicContact CE3-CG 3.61Å; W566-R604 HydrophobicContact CH2-CB 3.85Å; W566-R604 HydrophobicContact CH2-CG 3.96Å; W566-R604 HydrophobicContact CZ2-CG 4.32Å; W566-R604 HydrophobicContact CZ3-CB 3.72Å; W566-R604 HydrophobicContact CZ3-CG 3.61Å; W566-R604 PolarHBondContact O-NH1 2.81Å; F573-R604 HydrophobicContact CD2-CB 4.31Å; F573-R604 HydrophobicContact CE1-CB 4.19Å; F573-R604 HydrophobicContact CE2-CB 3.92Å; F573-R604 HydrophobicContact CZ-CB 3.84Å; H601-R604 PolarHBondContact CD2-NH1 2.6Å; H601-R604 PolarHBondContact CE1-NH1 3.46Å; H601-R604 PolarHBondContact CE1-NH2 3.33Å; H601-R604 PolarHBondContact ND1-NH1 3.08Å; H601-R604 PolarHBondContact NE2-NH1 3.38Å; H601-R604 PolarHBondContact NE2-NH2 3.14Å; G602-R604 PolarHBondContact O-N 2.81Å
605	I	96.4	Very high	94.3	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.056	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-54	-174.6	-67.3	154.3	0	0	0	110.7	L539 L542 I543 L546 V585 G587 D603	L539-I605 HydrophobicContact CB-CG2 4.48Å; L539-I605 HydrophobicContact CD1-CG2 3.67Å; L542-I605 HydrophobicContact CD2-CG2 4.3Å; I543-I605 HydrophobicContact CD1-CD1 3.49Å; I543-I605 VanDerWaalsContact CD1-CD1 3.49Å; I543-I605 HydrophobicContact CD1-CG1 4.08Å; I543-I605 HydrophobicContact CD1-CG2 4.29Å; L546-I605 HydrophobicContact CD1-CG1 4.05Å; V585-I605 HydrophobicContact CB-CB 4.16Å; V585-I605 HydrophobicContact CB-CG2 4.36Å; V585-I605 HydrophobicContact CG1-CB 4.06Å; V585-I605 HydrophobicContact CG1-CD1 3.97Å; V585-I605 HydrophobicContact CG1-CG2 4.06Å; V585-I605 WeakPolarHBondContact O-CB 3.32Å; V585-I605 PolarHBondContact O-N 3.34Å; G587-I605 VanDerWaalsContact N-CD1 3.25Å; D603-I605 PolarHBondContact O-N 2.99Å
606	C	96.5	Very high	94.4	Very high	19 Å²	19	45.3 Å²	45.3	13%	0.128	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	167.7	174	59.3	0	0	0	0	111.3	L539 V585	L539-C606 HydrophobicContact CD1-CB 4.02Å; L539-C606 VanDerWaalsContact CD1-SG 3.55Å; V585-C606 WeakPolarHBondContact CG2-SG 3.13Å; V585-C606 PolarHBondContact N-O 3.2Å
607	Q	95.7	Very high	94.5	Very high	38 Å²	38	45.5 Å²	45.5	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.5	154.2	-72.1	169.2	-67.6	0	0	105.8	W566 Q574 Y582 I583 E584	W566-Q607 HydrophobicContact CH2-CG 3.75Å; W566-Q607 HydrophobicContact CZ2-CG 3.52Å; Q574-Q607 PolarHBondContact O-NE2 2.97Å; Y582-Q607 HydrophobicContact CD1-CB 4.38Å; Y582-Q607 HydrophobicContact CG-CB 4.47Å; I583-Q607 WeakPolarHBondContact O-CA 3Å; E584-Q607 HydrophobicContact CG-CG 4.11Å; E584-Q607 PolarHBondContact OE1-NE2 3.24Å
608	C	96.8	Very high	94.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	162.7	-175.5	61.3	0	0	0	0	113.1	C534 D535 Y582 I583	C534-C608 HydrophobicContact CB-CB 3.9Å; D535-C608 HydrophobicContact CB-CB 4.43Å; D535-C608 WeakPolarHBondContact OD2-CA 3.25Å; D535-C608 WeakPolarHBondContact OD2-CB 3.22Å; Y582-C608 CarbonylContact C-O 3.39Å; Y582-C608 VanDerWaalsContact CA-O 3.32Å; Y582-C608 WeakPolarHBondContact CA-O 3.09Å; I583-C608 PolarHBondContact N-O 2.98Å; I583-C608 PolarHBondContact O-N 2.87Å
609	R	94.5	Very high	95	Very high	96 Å²	96	34.7 Å²	34.7	36%	0.362	19%	0.186	S	C	.	.	S	Bend	trans	-95.9	-27.5	178.7	-58	-160.3	170.6	-78.9	5.9	113.5	W434 D535 D580 G581 Y582	W434-R609 WeakPolarHBondContact CZ3-O 3.33Å; D535-R609 VanDerWaalsContact CG-N 3.28Å; D535-R609 WeakPolarHBondContact OD1-CA 3.27Å; D535-R609 PolarHBondContact OD1-N 3.29Å; D535-R609 PolarHBondContact OD2-N 2.91Å; D580-R609 PolarHBondContact O-NH1 3.04Å; D580-R609 PolarHBondContact O-NH2 2.88Å; D580-R609 VanDerWaalsContact O-NH2 3.17Å; G581-R609 VanDerWaalsContact CA-NH1 3.28Å; G581-R609 PolarHBondContact O-NH1 2.83Å; Y582-R609 HydrophobicContact CD1-CG 3.85Å; Y582-R609 HydrophobicContact CE1-CG 3.59Å; Y582-R609 VanDerWaalsContact CE2-CZ 3.47Å; Y582-R609 VanDerWaalsContact CZ-CZ 3.43Å; Y582-R609 PolarHBondContact OH-NE 3.47Å; Y582-R609 PolarHBondContact OH-NH2 3.47Å
610	R	97	Very high	95.4	Very high	111 Å²	111	31.7 Å²	31.7	42%	0.419	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.2	175.4	-170.5	173.6	-170.7	172	0	111.5	C534 D535 H612 D636 I637 F638	C534-R610 WeakPolarHBondContact CA-O 3.3Å; D535-R610 PolarHBondContact N-O 3.11Å; D535-R610 PolarHBondContact OD1-N 3.39Å; R610-H612 VanDerWaalsContact CZ-CE1 3.45Å; R610-H612 PolarHBondContact NE-CE1 3.42Å; R610-H612 PolarHBondContact NE-NE2 3.45Å; R610-H612 PolarHBondContact NH2-CE1 3.33Å; R610-D636 IonicContact CZ-OD2 3.95Å; R610-D636 IonicContact NE-OD2 2.77Å; R610-D636 IonicContact NH2-OD2 3.65Å; R610-D636 PolarHBondContact NH2-OD2 2.99Å; R610-I637 CarbonylContact C-O 3.57Å; R610-I637 WeakPolarHBondContact CA-O 3.28Å; R610-F638 HydrophobicContact CG-CB 4.37Å
611	V	98.6	Very high	95.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.9	171.3	-175	0	0	0	0	109.1	L532 I533 F553 I583 L613 D636 I637	L532-V611 HydrophobicContact CD1-CG1 3.51Å; I533-V611 WeakPolarHBondContact O-CA 3.41Å; F553-V611 HydrophobicContact CD1-CG2 3.95Å; F553-V611 HydrophobicContact CE1-CB 4.27Å; F553-V611 HydrophobicContact CE1-CG1 3.67Å; F553-V611 HydrophobicContact CE1-CG2 3.73Å; F553-V611 HydrophobicContact CZ-CG1 3.94Å; I583-V611 HydrophobicContact CG2-CG2 4.14Å; V611-L613 HydrophobicContact CG1-CB 4.28Å; V611-D636 WeakPolarHBondContact O-CA 3.25Å; V611-I637 HydrophobicContact CB-CB 3.98Å; V611-I637 HydrophobicContact CB-CD1 4.04Å; V611-I637 HydrophobicContact CB-CG1 4.21Å; V611-I637 HydrophobicContact CG1-CD1 4.21Å; V611-I637 HydrophobicContact CG2-CB 4.31Å; V611-I637 HydrophobicContact CG2-CD1 4.32Å; V611-I637 PolarHBondContact N-O 3.36Å; V611-I637 PolarHBondContact O-N 3.03Å
612	H	98.4	Very high	95.6	Very high	50 Å²	50	27 Å²	27	23%	0.231	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.5	161.4	-64.7	-79.9	0	0	0	108.3	I533 R610 D636	I533-H612 HydrophobicContact CB-CB 4.24Å; I533-H612 PolarHBondContact N-O 2.99Å; I533-H612 PolarHBondContact O-N 3.31Å; R610-H612 VanDerWaalsContact CZ-CE1 3.45Å; R610-H612 PolarHBondContact NE-CE1 3.42Å; R610-H612 PolarHBondContact NE-NE2 3.45Å; R610-H612 PolarHBondContact NH2-CE1 3.33Å; H612-D636 IonicContact CE1-OD1 2.81Å; H612-D636 PolarHBondContact CE1-OD1 2.8Å; H612-D636 IonicContact CE1-OD2 3.73Å; H612-D636 PolarHBondContact CE1-OD2 3.12Å; H612-D636 IonicContact CG-OD1 3.81Å; H612-D636 IonicContact ND1-OD1 2.72Å; H612-D636 PolarHBondContact ND1-OD1 2.77Å; H612-D636 IonicContact ND1-OD2 3.47Å; H612-D636 PolarHBondContact ND1-OD2 3.07Å
613	L	98.1	Very high	95.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.9	179	169.1	64.4	0	0	0	108.7	F477 L479 I530 T531 L532 F553 V611 T615 I635	F477-L613 HydrophobicContact CE1-CD2 4.23Å; L479-L613 HydrophobicContact CD1-CD2 4.12Å; L479-L613 HydrophobicContact CD2-CD2 3.99Å; I530-L613 HydrophobicContact CB-CD1 4.24Å; I530-L613 HydrophobicContact CG2-CD1 4.42Å; T531-L613 WeakPolarHBondContact O-CA 3.43Å; L532-L613 HydrophobicContact CD1-CB 4.42Å; L532-L613 HydrophobicContact CD1-CD1 4.38Å; F553-L613 HydrophobicContact CE2-CD2 4.2Å; F553-L613 HydrophobicContact CZ-CD2 4.44Å; V611-L613 HydrophobicContact CG1-CB 4.28Å; L613-T615 HydrophobicContact CG-CG2 4.47Å; L613-I635 HydrophobicContact CB-CB 4.27Å; L613-I635 HydrophobicContact CD2-CD1 4.3Å; L613-I635 PolarHBondContact N-O 3.42Å; L613-I635 PolarHBondContact O-N 3.27Å
614	T	97.2	Very high	95.7	Very high	36 Å²	36	24.9 Å²	24.9	22%	0.221	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.7	172.1	-59.5	0	0	0	0	109.6	I530 T531 S633 K634	I530-T614 WeakPolarHBondContact CA-O 3.18Å; T531-T614 PolarHBondContact N-O 3.11Å; T531-T614 PolarHBondContact O-N 2.81Å; T614-S633 WeakPolarHBondContact CA-O 3.46Å; T614-K634 HydrophobicContact CG2-CG 4.21Å
615	T	95.7	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.4	178.3	66.9	0	0	0	0	111.8	R441 H529 I530 L613 I619 M621 P632 S633	R441-T615 WeakPolarHBondContact CD-O 3.42Å; R441-T615 PolarHBondContact NH1-O 2.58Å; H529-T615 WeakPolarHBondContact O-CA 3.41Å; I530-T615 HydrophobicContact CG2-CG2 4.18Å; L613-T615 HydrophobicContact CG-CG2 4.47Å; T615-I619 HydrophobicContact CG2-CD1 3.86Å; T615-M621 HydrophobicContact CG2-CE 3.8Å; T615-P632 WeakPolarHBondContact OG1-CA 3.4Å; T615-S633 PolarHBondContact N-O 2.82Å; T615-S633 PolarHBondContact OG1-N 2.85Å; T615-S633 PolarHBondContact OG1-O 3.26Å
616	D	93.3	Very high	95.3	Very high	38 Å²	38	26.2 Å²	26.2	20%	0.203	13%	0.13	C	C	.	.	S	Bend	trans	-100.6	-22	179.2	-62.1	-62.1	0	0	0	113.3	R441 F444 H529	R441-D616 IonicContact CZ-OD1 3.14Å; R441-D616 IonicContact NH1-OD1 2.74Å; R441-D616 PolarHBondContact NH1-OD1 2.84Å; R441-D616 IonicContact NH2-OD1 2.65Å; F444-D616 WeakPolarHBondContact CE1-O 3.41Å; F444-D616 HydrophobicContact CZ-CB 4.11Å; F444-D616 WeakPolarHBondContact CZ-O 3.36Å; H529-D616 HydrophobicContact CB-CB 4.29Å; H529-D616 PolarHBondContact O-N 3.3Å
617	I	92	Very high	95.3	Very high	11 Å²	11	26.1 Å²	26.1	6%	0.056	13%	0.13	C	C	.	.	S	Bend	trans	-125.8	172.6	-179.2	67.7	175.1	0	0	0	112.2	Y453 W523 H529 I619	Y453-I617 HydrophobicContact CE2-CD1 4.37Å; W523-I617 HydrophobicContact CZ3-CD1 3.92Å; H529-I617 HydrophobicContact CB-CD1 4.03Å; H529-I617 HydrophobicContact CB-CG1 3.83Å; H529-I617 HydrophobicContact CB-CG2 4.38Å; H529-I617 VanDerWaalsContact CD2-CD1 3.49Å; H529-I617 WeakPolarHBondContact CD2-CD1 3.42Å; I617-I619 HydrophobicContact CG1-CD1 4.16Å; I617-I619 HydrophobicContact CG1-CG1 3.76Å; I617-I619 PolarHBondContact O-N 3.47Å
618	V	92	Very high	95.2	Very high	36 Å²	36	25 Å²	25	22%	0.218	13%	0.126	C	C	.	.			trans	-69	118.8	170.4	176.1	0	0	0	0	108.9	L450 I464 R629 L630 M631	L450-V618 HydrophobicContact CD2-CG2 3.78Å; I464-V618 HydrophobicContact CD1-CG1 4.46Å; I464-V618 HydrophobicContact CG1-CG1 4.5Å; I464-V618 HydrophobicContact CG2-CG1 3.87Å; I464-V618 HydrophobicContact CG2-CG2 4.28Å; V618-R629 HydrophobicContact CG1-CB 4.09Å; V618-L630 VanDerWaalsContact CA-O 3.27Å; V618-L630 WeakPolarHBondContact CA-O 3.41Å; V618-M631 HydrophobicContact CG2-CG 4.26Å; V618-M631 HydrophobicContact CG2-SD 4.21Å
619	I	94	Very high	95.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.7	-175	-65.5	-179.5	0	0	0	109.9	L479 W523 L526 I530 T615 I617 M621 L630	L479-I619 HydrophobicContact CB-CG2 3.88Å; L479-I619 HydrophobicContact CD1-CG2 4.26Å; W523-I619 HydrophobicContact CZ3-CG1 4.08Å; L526-I619 HydrophobicContact CD1-CD1 3.96Å; L526-I619 HydrophobicContact CD1-CG2 4.23Å; I530-I619 HydrophobicContact CG2-CD1 3.89Å; T615-I619 HydrophobicContact CG2-CD1 3.86Å; I617-I619 HydrophobicContact CG1-CD1 4.16Å; I617-I619 HydrophobicContact CG1-CG1 3.76Å; I617-I619 PolarHBondContact O-N 3.47Å; I619-M621 HydrophobicContact CB-CE 3.96Å; I619-M621 HydrophobicContact CG2-CE 4.05Å; I619-M621 HydrophobicContact CG2-CG 4.31Å; I619-L630 PolarHBondContact N-O 3.39Å; I619-L630 VanDerWaalsContact N-O 3.16Å; I619-L630 PolarHBondContact O-N 2.97Å
620	P	95.2	Very high	95.1	Very high	8 Å²	8	21.6 Å²	21.6	5%	0.052	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.9	170.4	29.1	-33.3	0	0	0	110.1	L479 G480 A483 A484 W523 C628	L479-P620 WeakPolarHBondContact CA-O 3.32Å; G480-P620 PolarHBondContact N-O 2.94Å; A483-P620 VanDerWaalsContact CB-C 3.47Å; A483-P620 HydrophobicContact CB-CB 4.24Å; A483-P620 VanDerWaalsContact CB-O 3.25Å; A483-P620 WeakPolarHBondContact CB-O 3.33Å; A484-P620 HydrophobicContact CB-CB 4.33Å; A484-P620 HydrophobicContact CB-CG 3.99Å; W523-P620 HydrophobicContact CD2-CG 4.45Å; W523-P620 HydrophobicContact CH2-CG 4.3Å; W523-P620 HydrophobicContact CZ2-CG 3.55Å; P620-C628 CarbonylContact C-O 3.6Å; P620-C628 VanDerWaalsContact CA-O 3.28Å; P620-C628 WeakPolarHBondContact CA-O 3.28Å
621	M	96.6	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.4	-178.9	-55.4	-169.5	-178.3	0	0	110.8	L468 F477 S478 L479 A483 T615 I619 P627 C628 L630 I635	L468-M621 HydrophobicContact CD2-CB 4.31Å; L468-M621 HydrophobicContact CD2-SD 4.14Å; F477-M621 HydrophobicContact CE2-CB 3.96Å; F477-M621 HydrophobicContact CE2-CG 4.5Å; F477-M621 HydrophobicContact CE2-SD 4.07Å; F477-M621 HydrophobicContact CZ-CB 4.48Å; F477-M621 HydrophobicContact CZ-SD 3.69Å; S478-M621 CarbonylContact O-C 3.51Å; S478-M621 VanDerWaalsContact O-CA 3.25Å; S478-M621 WeakPolarHBondContact O-CA 3.36Å; L479-M621 HydrophobicContact CB-CE 4.49Å; L479-M621 HydrophobicContact CB-CG 3.96Å; A483-M621 VanDerWaalsContact CB-C 3.41Å; A483-M621 VanDerWaalsContact CB-CA 3.42Å; T615-M621 HydrophobicContact CG2-CE 3.8Å; I619-M621 HydrophobicContact CB-CE 3.96Å; I619-M621 HydrophobicContact CG2-CE 4.05Å; I619-M621 HydrophobicContact CG2-CG 4.31Å; M621-P627 CarbonylContact O-C 3.57Å; M621-P627 VanDerWaalsContact O-CA 3.27Å; M621-P627 WeakPolarHBondContact O-CA 3.48Å; M621-C628 PolarHBondContact N-O 3.02Å; M621-C628 PolarHBondContact O-N 3.42Å; M621-L630 HydrophobicContact CE-CB 4.3Å; M621-L630 HydrophobicContact CE-CD2 3.99Å; M621-L630 HydrophobicContact CG-CB 4.4Å; M621-L630 HydrophobicContact SD-CB 4.06Å; M621-L630 HydrophobicContact SD-CD2 3.66Å; M621-I635 HydrophobicContact CE-CD1 3.68Å; M621-I635 HydrophobicContact SD-CD1 3.62Å
622	Q	95.1	Very high	94.7	Very high	2 Å²	2	19 Å²	19	1%	0.009	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151.8	169.6	68.1	165.1	-20.7	0	0	112.8	Y476 F477 S478 D482 A483 A486 E626 P627	Y476-Q622 HydrophobicContact CE2-CG 4.02Å; Y476-Q622 PolarHBondContact OH-NE2 3.41Å; Y476-Q622 PolarHBondContact OH-OE1 2.83Å; F477-Q622 CarbonylContact C-O 3.35Å; F477-Q622 WeakPolarHBondContact CA-O 3.5Å; F477-Q622 WeakPolarHBondContact CD2-O 3.48Å; S478-Q622 PolarHBondContact N-O 2.79Å; S478-Q622 PolarHBondContact O-N 3.42Å; S478-Q622 WeakPolarHBondContact OG-CG 3.17Å; D482-Q622 VanDerWaalsContact CG-NE2 3.26Å; D482-Q622 PolarHBondContact OD1-NE2 2.91Å; D482-Q622 PolarHBondContact OD2-NE2 3.04Å; A483-Q622 HydrophobicContact CB-CB 4.3Å; A483-Q622 HydrophobicContact CB-CG 4.09Å; A486-Q622 HydrophobicContact CB-CG 4.37Å; Q622-E626 WeakPolarHBondContact CA-O 3.43Å; Q622-P627 HydrophobicContact CB-CB 3.93Å
623	M	95.6	Very high	94.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.7	168.7	-69.8	170.9	-74.2	0	0	109.4	V436 L468 P469 L470 F473 Y476 F477 G625 E626	V436-M623 HydrophobicContact CB-SD 4.38Å; V436-M623 HydrophobicContact CG2-SD 4.05Å; L468-M623 HydrophobicContact CB-CE 3.72Å; L468-M623 HydrophobicContact CD1-CE 4.45Å; L468-M623 HydrophobicContact CD2-CE 4.27Å; L468-M623 HydrophobicContact CG-CE 4.39Å; P469-M623 HydrophobicContact CG-CE 3.88Å; L470-M623 HydrophobicContact CB-CE 3.71Å; L470-M623 HydrophobicContact CB-SD 4.08Å; L470-M623 HydrophobicContact CD1-CB 4.01Å; L470-M623 HydrophobicContact CG-CE 4.48Å; L470-M623 VanDerWaalsContact N-CE 3.33Å; L470-M623 WeakPolarHBondContact O-CE 3.27Å; F473-M623 HydrophobicContact CB-CB 4.04Å; F473-M623 HydrophobicContact CB-CG 4.22Å; F473-M623 HydrophobicContact CD1-CG 4.38Å; Y476-M623 WeakPolarHBondContact O-CA 3.41Å; F477-M623 HydrophobicContact CB-CG 4.09Å; F477-M623 HydrophobicContact CD2-CG 3.46Å; F477-M623 VanDerWaalsContact CD2-CG 3.46Å; F477-M623 HydrophobicContact CD2-SD 4.36Å; F477-M623 HydrophobicContact CE2-CG 4.27Å; F477-M623 HydrophobicContact CG-CG 4.17Å; M623-G625 PolarHBondContact O-N 3Å; M623-E626 PolarHBondContact N-O 3.17Å; M623-E626 VanDerWaalsContact N-O 3.11Å; M623-E626 PolarHBondContact O-N 3.23Å
624	D	95.2	Very high	94.5	Very high	11 Å²	11	21.7 Å²	21.7	6%	0.059	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	20	175.8	-71	-16.8	0	0	0	116.4	N474 N475 Y476	N474-D624 WeakPolarHBondContact CB-OD2 3.36Å; N474-D624 PolarHBondContact N-OD1 3.32Å; N474-D624 PolarHBondContact N-OD2 2.99Å; N474-D624 PolarHBondContact ND2-OD2 3.31Å; N475-D624 WeakPolarHBondContact CA-OD1 3.47Å; N475-D624 WeakPolarHBondContact CB-OD1 3.32Å; N475-D624 PolarHBondContact N-OD1 2.74Å; N475-D624 PolarHBondContact ND2-OD1 3.07Å; N475-D624 PolarHBondContact ND2-OD2 2.82Å; Y476-D624 PolarHBondContact N-OD1 2.96Å; Y476-D624 VanDerWaalsContact N-OD1 3.13Å; Y476-D624 PolarHBondContact O-N 2.88Å
625	G	91.4	Very high	94.6	Very high	28 Å²	28	20 Å²	20	29%	0.289	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	-1.2	-177.9	0	0	0	0	0	116	M623	M623-G625 PolarHBondContact O-N 3Å
626	E	93	Very high	94.7	Very high	63 Å²	63	21.8 Å²	21.8	29%	0.294	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	114.6	177.1	-59.7	-56.7	144.2	0	0	110.3	P469 H490 R493 Q622 M623	P469-E626 WeakPolarHBondContact CG-O 3.31Å; H490-E626 IonicContact CD2-OE2 2.75Å; H490-E626 IonicContact NE2-OE2 2.66Å; H490-E626 PolarHBondContact NE2-OE2 3.43Å; R493-E626 IonicContact NH2-OE1 2.75Å; R493-E626 IonicContact NH2-OE2 3.82Å; Q622-E626 WeakPolarHBondContact CA-O 3.43Å; M623-E626 PolarHBondContact N-O 3.17Å; M623-E626 VanDerWaalsContact N-O 3.11Å; M623-E626 PolarHBondContact O-N 3.23Å
627	P	95.1	Very high	94.9	Very high	18 Å²	18	20 Å²	20	12%	0.117	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	158.3	-167.4	39.2	-33.7	0	0	0	115.3	A486 L487 H490 M621 Q622	A486-P627 HydrophobicContact CB-CB 4.32Å; L487-P627 HydrophobicContact CB-CB 3.95Å; L487-P627 HydrophobicContact CB-CG 4.17Å; L487-P627 HydrophobicContact CD1-CB 4.06Å; L487-P627 HydrophobicContact CD1-CG 3.85Å; H490-P627 HydrophobicContact CB-CG 3.75Å; M621-P627 CarbonylContact O-C 3.57Å; M621-P627 VanDerWaalsContact O-CA 3.27Å; M621-P627 WeakPolarHBondContact O-CA 3.48Å; Q622-P627 HydrophobicContact CB-CB 3.93Å
628	C	94.6	Very high	95.1	Very high	13 Å²	13	22 Å²	22	9%	0.088	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	168.8	171.7	69.2	0	0	0	0	112.7	P469 P620 M621	P469-C628 HydrophobicContact CG-CB 4.41Å; P620-C628 CarbonylContact C-O 3.6Å; P620-C628 VanDerWaalsContact CA-O 3.28Å; P620-C628 WeakPolarHBondContact CA-O 3.28Å; M621-C628 PolarHBondContact N-O 3.02Å; M621-C628 PolarHBondContact O-N 3.42Å
629	R	94	Very high	95.1	Very high	27 Å²	27	21.7 Å²	21.7	10%	0.102	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	112	156.9	-71.3	175	171.5	76.7	5.4	106.8	E454 R462 I464 S465 L487 E491 V618	E454-R629 IonicContact OE1-CZ 3.09Å; E454-R629 IonicContact OE1-NE 3.97Å; E454-R629 PolarHBondContact OE1-NE 2.69Å; E454-R629 IonicContact OE1-NH2 2.64Å; E454-R629 PolarHBondContact OE1-NH2 2.71Å; R462-R629 VanDerWaalsContact CD-NH2 3.29Å; I464-R629 HydrophobicContact CG1-CB 4.49Å; I464-R629 HydrophobicContact CG2-CB 4.41Å; S465-R629 PolarHBondContact N-O 3.19Å; L487-R629 HydrophobicContact CD2-CG 3.74Å; L487-R629 VanDerWaalsContact CD2-NH1 3.32Å; E491-R629 IonicContact OE1-CZ 2.73Å; E491-R629 IonicContact OE1-NH1 3.11Å; E491-R629 PolarHBondContact OE1-NH1 3.47Å; E491-R629 IonicContact OE1-NH2 2.69Å; V618-R629 HydrophobicContact CG1-CB 4.09Å
630	L	94.5	Very high	94.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.5	-177.2	-167.2	74.6	0	0	0	112.3	S465 L468 V618 I619 M621 I635	S465-L630 CarbonylContact O-C 3.49Å; S465-L630 WeakPolarHBondContact O-CA 3.32Å; L468-L630 HydrophobicContact CD2-CD1 4.08Å; L468-L630 HydrophobicContact CD2-CD2 3.9Å; L468-L630 HydrophobicContact CD2-CG 4.42Å; L468-L630 HydrophobicContact CG-CD1 4.05Å; L468-L630 HydrophobicContact CG-CD2 4.06Å; V618-L630 VanDerWaalsContact CA-O 3.27Å; V618-L630 WeakPolarHBondContact CA-O 3.41Å; I619-L630 PolarHBondContact N-O 3.39Å; I619-L630 VanDerWaalsContact N-O 3.16Å; I619-L630 PolarHBondContact O-N 2.97Å; M621-L630 HydrophobicContact CE-CB 4.3Å; M621-L630 HydrophobicContact CE-CD2 3.99Å; M621-L630 HydrophobicContact CG-CB 4.4Å; M621-L630 HydrophobicContact SD-CB 4.06Å; M621-L630 HydrophobicContact SD-CD2 3.66Å; L630-I635 HydrophobicContact CD2-CD1 3.65Å; L630-I635 HydrophobicContact CD2-CG1 4.36Å
631	M	93.2	Very high	94.3	Very high	43 Å²	43	25.1 Å²	25.1	21%	0.212	14%	0.135	C	C	.	.			trans	-11.2	136	144.9	-37.5	-136.3	-147.4	0	0	118.7	V440 T446 I464 S465 V618 S633	V440-M631 HydrophobicContact CG1-CB 4.05Å; V440-M631 HydrophobicContact CG2-CB 4.39Å; T446-M631 HydrophobicContact CG2-CE 3.95Å; T446-M631 HydrophobicContact CG2-SD 3.46Å; T446-M631 WeakPolarHBondContact CG2-SD 3.34Å; I464-M631 HydrophobicContact CB-CE 4.28Å; I464-M631 HydrophobicContact CG2-CE 3.76Å; I464-M631 HydrophobicContact CG2-CG 3.54Å; I464-M631 HydrophobicContact CG2-SD 4.27Å; S465-M631 PolarHBondContact O-N 2.79Å; V618-M631 HydrophobicContact CG2-CG 4.26Å; V618-M631 HydrophobicContact CG2-SD 4.21Å; M631-S633 WeakPolarHBondContact O-CB 3.46Å; M631-S633 PolarHBondContact O-N 3.38Å; M631-S633 VanDerWaalsContact O-N 3.07Å; M631-S633 PolarHBondContact O-OG 2.84Å
632	P	95.2	Very high	94	Very high	13 Å²	13	25.9 Å²	25.9	8%	0.084	14%	0.139	C	C	.	.	S	Bend	trans	-51.9	117.2	148.2	-25	34.7	0	0	0	109.5	R441 T615	R441-P632 HydrophobicContact CB-CB 4.49Å; R441-P632 WeakPolarHBondContact CB-O 3.36Å; R441-P632 PolarHBondContact N-O 3.43Å; T615-P632 WeakPolarHBondContact OG1-CA 3.4Å
633	S	95.7	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157.7	-164.7	-58.2	0	0	0	0	112.5	E439 T614 T615 M631	E439-S633 CarbonylContact O-C 3.59Å; E439-S633 WeakPolarHBondContact O-CA 3.2Å; E439-S633 WeakPolarHBondContact O-CB 3.49Å; T614-S633 WeakPolarHBondContact CA-O 3.46Å; T615-S633 PolarHBondContact N-O 2.82Å; T615-S633 PolarHBondContact OG1-N 2.85Å; T615-S633 PolarHBondContact OG1-O 3.26Å; M631-S633 WeakPolarHBondContact O-CB 3.46Å; M631-S633 PolarHBondContact O-N 3.38Å; M631-S633 VanDerWaalsContact O-N 3.07Å; M631-S633 PolarHBondContact O-OG 2.84Å
634	K	97	Very high	93.7	Very high	109 Å²	109	27.3 Å²	27.3	47%	0.474	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.3	159.6	-62.9	177.3	-175.8	175.1	0	107.9	S438 E439 R441 T614	S438-K634 WeakPolarHBondContact CA-O 3.4Å; E439-K634 PolarHBondContact N-O 3.28Å; E439-K634 PolarHBondContact O-N 3.49Å; R441-K634 HydrophobicContact CG-CG 4.35Å; T614-K634 HydrophobicContact CG2-CG 4.21Å
635	I	97.9	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	116	-172	-55.1	178.5	0	0	0	108.6	V436 N437 L468 F477 L613 M621 L630 I637	V436-I635 HydrophobicContact CG1-CG2 3.43Å; V436-I635 VanDerWaalsContact CG1-CG2 3.43Å; N437-I635 WeakPolarHBondContact O-CA 3.25Å; L468-I635 HydrophobicContact CD1-CG2 4.43Å; F477-I635 HydrophobicContact CE1-CG2 4.33Å; F477-I635 HydrophobicContact CZ-CD1 4.32Å; F477-I635 HydrophobicContact CZ-CG2 4.41Å; L613-I635 HydrophobicContact CB-CB 4.27Å; L613-I635 HydrophobicContact CD2-CD1 4.3Å; L613-I635 PolarHBondContact N-O 3.42Å; L613-I635 PolarHBondContact O-N 3.27Å; M621-I635 HydrophobicContact CE-CD1 3.68Å; M621-I635 HydrophobicContact SD-CD1 3.62Å; L630-I635 HydrophobicContact CD2-CD1 3.65Å; L630-I635 HydrophobicContact CD2-CG1 4.36Å; I635-I637 HydrophobicContact CG2-CG1 4.23Å
636	D	97.8	Very high	94	Very high	37 Å²	37	25.5 Å²	25.5	20%	0.198	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.7	178.7	-92.6	35.7	0	0	0	109.1	V436 N437 R610 V611 H612	V436-D636 WeakPolarHBondContact CA-O 3.41Å; N437-D636 HydrophobicContact CB-CB 4.27Å; N437-D636 PolarHBondContact N-O 3.14Å; N437-D636 PolarHBondContact O-N 2.92Å; R610-D636 IonicContact CZ-OD2 3.95Å; R610-D636 IonicContact NE-OD2 2.77Å; R610-D636 IonicContact NH2-OD2 3.65Å; R610-D636 PolarHBondContact NH2-OD2 2.99Å; V611-D636 WeakPolarHBondContact O-CA 3.25Å; H612-D636 IonicContact CE1-OD1 2.81Å; H612-D636 PolarHBondContact CE1-OD1 2.8Å; H612-D636 IonicContact CE1-OD2 3.73Å; H612-D636 PolarHBondContact CE1-OD2 3.12Å; H612-D636 IonicContact CG-OD1 3.81Å; H612-D636 IonicContact ND1-OD1 2.72Å; H612-D636 PolarHBondContact ND1-OD1 2.77Å; H612-D636 IonicContact ND1-OD2 3.47Å; H612-D636 PolarHBondContact ND1-OD2 3.07Å
637	I	98.3	Very high	94	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.7	178.1	-43.5	167.8	0	0	0	109	W434 Q435 V436 F473 F477 F553 R610 V611 I635	W434-I637 HydrophobicContact CB-CG2 4.37Å; W434-I637 HydrophobicContact CE3-CG2 4.12Å; Q435-I637 WeakPolarHBondContact O-CA 3.04Å; V436-I637 HydrophobicContact CG1-CG1 4.32Å; V436-I637 HydrophobicContact CG2-CG1 4.38Å; V436-I637 HydrophobicContact CG2-CG2 4.23Å; F473-I637 HydrophobicContact CE1-CG2 3.76Å; F473-I637 HydrophobicContact CZ-CG2 4.11Å; F477-I637 HydrophobicContact CD1-CD1 3.53Å; F477-I637 HydrophobicContact CD1-CG1 4.45Å; F477-I637 HydrophobicContact CE1-CD1 3.8Å; F553-I637 HydrophobicContact CD1-CD1 4.07Å; F553-I637 HydrophobicContact CD2-CD1 3.96Å; F553-I637 HydrophobicContact CE1-CD1 4.21Å; F553-I637 HydrophobicContact CE2-CD1 4.06Å; F553-I637 HydrophobicContact CG-CD1 3.95Å; F553-I637 HydrophobicContact CZ-CD1 4.19Å; R610-I637 CarbonylContact C-O 3.57Å; R610-I637 WeakPolarHBondContact CA-O 3.28Å; V611-I637 HydrophobicContact CB-CB 3.98Å; V611-I637 HydrophobicContact CB-CD1 4.04Å; V611-I637 HydrophobicContact CB-CG1 4.21Å; V611-I637 HydrophobicContact CG1-CD1 4.21Å; V611-I637 HydrophobicContact CG2-CB 4.31Å; V611-I637 HydrophobicContact CG2-CD1 4.32Å; V611-I637 PolarHBondContact N-O 3.36Å; V611-I637 PolarHBondContact O-N 3.03Å; I635-I637 HydrophobicContact CG2-CG1 4.23Å
638	F	96.2	Very high	94	Very high	53 Å²	53	23.4 Å²	23.4	23%	0.232	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	153.3	177	56.5	-82.8	0	0	0	111.8	W434 Q435 R610 S640	W434-F638 CarbonylContact C-O 3.55Å; W434-F638 WeakPolarHBondContact CA-O 3.42Å; Q435-F638 HydrophobicContact CB-CE1 4.29Å; Q435-F638 HydrophobicContact CB-CE2 4.01Å; Q435-F638 HydrophobicContact CB-CZ 3.89Å; Q435-F638 VanDerWaalsContact CD-CZ 3.41Å; Q435-F638 HydrophobicContact CG-CE1 4.07Å; Q435-F638 HydrophobicContact CG-CE2 4.27Å; Q435-F638 HydrophobicContact CG-CZ 3.69Å; Q435-F638 PolarHBondContact N-O 3.24Å; Q435-F638 PolarHBondContact O-N 2.99Å; Q435-F638 VanDerWaalsContact O-N 3.12Å; R610-F638 HydrophobicContact CG-CB 4.37Å; F638-S640 PolarHBondContact O-N 2.69Å
639	C	91.5	Very high	93.7	Very high	31 Å²	31	27.4 Å²	27.4	21%	0.209	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	118.7	170.7	178.4	0	0	0	0	108.7	W434 R676	W434-C639 HydrophobicContact CD2-CB 4.32Å; W434-C639 HydrophobicContact CE3-CB 4.2Å; W434-C639 HydrophobicContact CH2-CB 3.8Å; W434-C639 HydrophobicContact CZ2-CB 3.91Å; W434-C639 HydrophobicContact CZ3-CB 3.97Å; C639-R676 PolarHBondContact SG-NH2 3.19Å
640	S	86.5	Confident	92.8	Very high	45 Å²	45	31 Å²	31	32%	0.315	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-53.5	-176.2	-178.6	0	0	0	0	111.2	R433 Q435 F638	R433-S640 WeakPolarHBondContact O-CB 3.11Å; R433-S640 PolarHBondContact O-N 3.41Å; Q435-S640 PolarHBondContact OE1-OG 2.91Å; F638-S640 PolarHBondContact O-N 2.69Å
641	H	86.4	Confident	91.1	Very high	35 Å²	35	42.7 Å²	42.7	16%	0.162	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	-177.9	-175.3	57.7	-84.3	0	0	0	109.6	D380 R433 E788	D380-H641 IonicContact OD1-NE2 2.72Å; R433-H641 PolarHBondContact N-O 3.41Å; R433-H641 PolarHBondContact NH1-NE2 3.5Å; H641-E788 VanDerWaalsContact CB-OE1 3.32Å; H641-E788 WeakPolarHBondContact CB-OE1 3.49Å; H641-E788 IonicContact CD2-OE1 3.82Å; H641-E788 IonicContact CG-OE1 3.26Å
642	Q	90.1	Very high	88.5	Confident	15 Å²	15	43.8 Å²	43.8	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.8	176	-55.1	-163.4	-60.3	0	0	111.1	A430 L431 D432 D579	A430-Q642 HydrophobicContact CB-CB 4.28Å; L431-Q642 CarbonylContact O-C 3.51Å; L431-Q642 WeakPolarHBondContact O-CA 3.32Å; D432-Q642 WeakPolarHBondContact OD1-CG 3.02Å; D432-Q642 PolarHBondContact OD1-NE2 3.23Å; D579-Q642 PolarHBondContact O-NE2 2.87Å
643	A	92.4	Very high	85.6	Confident	4 Å²	4	47 Å²	47	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	157.3	162.8	0	0	0	0	0	110.5	F376 A430 L431 R433	F376-A643 HydrophobicContact CD1-CB 3.82Å; F376-A643 HydrophobicContact CE1-CB 3.78Å; F376-A643 HydrophobicContact CG-CB 4.47Å; F376-A643 HydrophobicContact CZ-CB 4.4Å; A430-A643 CarbonylContact C-O 3.59Å; A430-A643 WeakPolarHBondContact CA-O 3.46Å; L431-A643 PolarHBondContact N-O 3.49Å; L431-A643 PolarHBondContact O-N 3.17Å; R433-A643 VanDerWaalsContact CD-CB 3.44Å; R433-A643 HydrophobicContact CG-CB 4.37Å
644	L	92.3	Very high	82.8	Confident	29 Å²	29	54.1 Å²	54.1	15%	0.152	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.8	173.4	-59.7	-174.1	0	0	0	111.1	I387 P389 V390 V428 T675	I387-L644 HydrophobicContact CG2-CG 4.49Å; P389-L644 WeakPolarHBondContact CA-O 3.22Å; P389-L644 HydrophobicContact CB-CB 3.89Å; V390-L644 PolarHBondContact N-O 3.13Å; V428-L644 HydrophobicContact CG1-CB 4.13Å; V428-L644 HydrophobicContact CG1-CD1 4.34Å; L644-T675 HydrophobicContact CD2-CG2 4.24Å
645	V	95.7	Very high	79.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.1	-178.7	-64.1	0	0	0	0	111.9	F376 V390 L405 V428 I429 L431	F376-V645 HydrophobicContact CE1-CG1 4Å; F376-V645 HydrophobicContact CZ-CG1 3.53Å; V390-V645 CarbonylContact O-C 3.57Å; V390-V645 VanDerWaalsContact O-CA 3.31Å; V390-V645 WeakPolarHBondContact O-CA 3.36Å; L405-V645 HydrophobicContact CD1-CB 3.81Å; L405-V645 HydrophobicContact CD1-CG1 4.35Å; L405-V645 HydrophobicContact CD1-CG2 3.92Å; L405-V645 HydrophobicContact CD2-CB 4.4Å; L405-V645 HydrophobicContact CD2-CG2 3.64Å; L405-V645 HydrophobicContact CG-CG2 4.44Å; V428-V645 CarbonylContact C-O 3.55Å; V428-V645 WeakPolarHBondContact CA-O 3.42Å; I429-V645 HydrophobicContact CG1-CG2 3.72Å; I429-V645 PolarHBondContact N-O 3.4Å; I429-V645 WeakPolarHBondContact O-CG2 3.43Å; I429-V645 PolarHBondContact O-N 3.45Å; L431-V645 HydrophobicContact CB-CG1 4Å; L431-V645 HydrophobicContact CB-CG2 3.99Å; L431-V645 HydrophobicContact CD2-CG1 3.87Å
646	I	96.1	Very high	76.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.4	-179.8	-57.5	178.6	0	0	0	108.6	R362 P389 V390 A391 W407 V423 R427 V428	R362-I646 HydrophobicContact CB-CD1 4.02Å; R362-I646 HydrophobicContact CG-CD1 4.11Å; P389-I646 HydrophobicContact CB-CD1 4.31Å; P389-I646 HydrophobicContact CB-CG1 3.9Å; P389-I646 HydrophobicContact CG-CD1 4.4Å; P389-I646 HydrophobicContact CG-CG1 4.45Å; V390-I646 PolarHBondContact O-N 3Å; A391-I646 HydrophobicContact CB-CB 3.91Å; A391-I646 HydrophobicContact CB-CD1 4.01Å; A391-I646 HydrophobicContact CB-CG1 4.36Å; A391-I646 HydrophobicContact CB-CG2 4.41Å; W407-I646 HydrophobicContact CZ2-CG2 4.16Å; W407-I646 PolarHBondContact NE1-O 3.09Å; V423-I646 HydrophobicContact CG1-CD1 3.97Å; R427-I646 CarbonylContact O-C 3.44Å; R427-I646 WeakPolarHBondContact O-CA 3.36Å; V428-I646 HydrophobicContact CG2-CG1 4.36Å
647	Q	94.1	Very high	73.5	Confident	12 Å²	12	60 Å²	60	6%	0.056	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.6	168.8	-179.2	-177.5	77	0	0	109.7	L405 N406 G426 R427 I429 L649	L405-Q647 HydrophobicContact CD2-CB 4.38Å; L405-Q647 WeakPolarHBondContact O-CA 3.44Å; N406-Q647 HydrophobicContact CB-CG 4.44Å; G426-Q647 WeakPolarHBondContact CA-O 3.27Å; R427-Q647 HydrophobicContact CB-CB 4.37Å; R427-Q647 PolarHBondContact N-O 2.84Å; R427-Q647 PolarHBondContact O-N 3.36Å; I429-Q647 HydrophobicContact CD1-CB 4Å; I429-Q647 HydrophobicContact CG1-CB 4.44Å; Q647-L649 PolarHBondContact O-N 2.76Å
648	K	93.6	Very high	70.3	Confident	26 Å²	26	68.1 Å²	68.1	11%	0.113	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-68.1	124.2	176.1	-172.5	168.9	-175.3	175.8	0	109.4	L405 N406 W407 E414 S422 T650	L405-K648 PolarHBondContact O-N 3.42Å; N406-K648 HydrophobicContact CB-CB 4.18Å; N406-K648 VanDerWaalsContact CB-O 3.27Å; N406-K648 WeakPolarHBondContact CB-O 3.01Å; W407-K648 HydrophobicContact CD2-CB 3.96Å; W407-K648 HydrophobicContact CD2-CD 4.11Å; W407-K648 HydrophobicContact CE3-CB 4.44Å; W407-K648 HydrophobicContact CE3-CD 3.81Å; W407-K648 HydrophobicContact CG-CB 4.16Å; W407-K648 HydrophobicContact CZ2-CB 4.28Å; W407-K648 HydrophobicContact CZ3-CD 4.14Å; E414-K648 VanDerWaalsContact CD-NZ 3.32Å; E414-K648 IonicContact OE1-NZ 2.74Å; E414-K648 PolarHBondContact OE1-NZ 2.58Å; E414-K648 IonicContact OE2-NZ 3.73Å; E414-K648 PolarHBondContact OE2-NZ 2.89Å; S422-K648 VanDerWaalsContact OG-CE 3.32Å; S422-K648 WeakPolarHBondContact OG-CE 3.42Å; K648-T650 PolarHBondContact O-N 3.37Å
649	L	88.7	Confident	67.3	Low	97 Å²	97	69.2 Å²	69.2	51%	0.508	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-65.1	121	173.8	-66.8	-179.6	0	0	0	109.3	E425 R427 Q647	E425-L649 HydrophobicContact CB-CD1 4.22Å; E425-L649 WeakPolarHBondContact O-CD1 3.38Å; R427-L649 HydrophobicContact CB-CD2 4Å; Q647-L649 PolarHBondContact O-N 2.76Å
650	T	74.7	Confident	64.2	Low	102 Å²	102	73.8 Å²	73.8	63%	0.626	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-77.8	132.7	164.3	45.7	0	0	0	0	108.1	N406 K648 S652	N406-T650 HydrophobicContact CB-CG2 4.29Å; K648-T650 PolarHBondContact O-N 3.37Å; T650-S652 PolarHBondContact O-N 2.96Å; T650-S652 VanDerWaalsContact O-N 3.1Å
651	R	59.2	Low	61.6	Low	246 Å²	246	81.2 Å²	81.2	93%	0.928	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-60.3	118.7	164.9	-77.1	-173.1	176.7	178.4	-1.1	107	P653	R651-P653 WeakPolarHBondContact O-CD 3.37Å
652	S	39.2	Very low	59.1	Low	65 Å²	65	84.5 Å²	84.5	46%	0.455	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-56	125.4	169.8	-173.3	0	0	0	0	108	T650 I654	T650-S652 PolarHBondContact O-N 2.96Å; T650-S652 VanDerWaalsContact O-N 3.1Å; S652-I654 PolarHBondContact O-N 2.84Å
653	P	34.3	Very low	56.3	Low	81 Å²	81	91.1 Å²	91.1	53%	0.526	49%	0.489	S	S	.	.			trans	-69.4	96.7	176.6	26.6	-30.8	0	0	0	108.2	R651 S655 A656	R651-P653 WeakPolarHBondContact O-CD 3.37Å; P653-S655 PolarHBondContact O-N 2.86Å; P653-A656 HydrophobicContact CB-CB 4.18Å; P653-A656 HydrophobicContact CG-CB 3.87Å; P653-A656 WeakPolarHBondContact O-CB 3.48Å; P653-A656 PolarHBondContact O-N 2.93Å
654	I	36.4	Very low	53.7	Low	149 Å²	149	96 Å²	96	76%	0.764	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-55	-26.3	-178.1	-66.2	171.5	0	0	0	111.7	S652 A656	S652-I654 PolarHBondContact O-N 2.84Å; I654-A656 VanDerWaalsContact C-N 3.34Å; I654-A656 PolarHBondContact O-N 2.81Å
655	S	31.1	Very low	51	Low	111 Å²	111	102.5 Å²	102.5	78%	0.776	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-74.6	-11.3	174.2	-168.1	0	0	0	0	115.6	P653	P653-S655 PolarHBondContact O-N 2.86Å
656	A	33.9	Very low	48.4	Very low	52 Å²	52	108.5 Å²	108.5	43%	0.43	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-92.9	-17.6	179.4	0	0	0	0	0	113.1	P653 I654 M658 S659	P653-A656 HydrophobicContact CB-CB 4.18Å; P653-A656 HydrophobicContact CG-CB 3.87Å; P653-A656 WeakPolarHBondContact O-CB 3.48Å; P653-A656 PolarHBondContact O-N 2.93Å; I654-A656 VanDerWaalsContact C-N 3.34Å; I654-A656 PolarHBondContact O-N 2.81Å; A656-M658 PolarHBondContact O-N 2.92Å; A656-M658 VanDerWaalsContact O-N 3.12Å; A656-S659 PolarHBondContact O-N 2.95Å
657	V	33	Very low	45.5	Very low	106 Å²	106	115.1 Å²	115.1	64%	0.642	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	1.6	-176.2	-172.6	0	0	0	0	112.5
658	M	31.1	Very low	42.8	Very low	172 Å²	172	118.6 Å²	118.6	85%	0.847	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	6.4	-179.3	-68.3	-91	70.4	0	0	114.4	A656	A656-M658 PolarHBondContact O-N 2.92Å; A656-M658 VanDerWaalsContact O-N 3.12Å
659	S	33.1	Very low	40	Very low	76 Å²	76	123.8 Å²	123.8	53%	0.531	64%	0.642	S	S	.	*	S	Bend	trans	-154.2	128.8	174.4	59.2	0	0	0	0	112	A656	A656-S659 PolarHBondContact O-N 2.95Å
660	N	26.8	Very low	37.3	Very low	127 Å²	127	125.7 Å²	125.7	68%	0.679	66%	0.658	S	S	*	*			trans	75.9	119.9	-178.8	-65	34.2	0	0	0	116.4	D662	N660-D662 HydrophobicContact CB-CB 4.3Å; N660-D662 WeakPolarHBondContact CB-OD2 3.45Å; N660-D662 PolarHBondContact ND2-OD2 3.06Å; N660-D662 PolarHBondContact O-N 3.21Å
661	E	31.7	Very low	35.6	Very low	200 Å²	200	125.7 Å²	125.7	94%	0.935	65%	0.653	S	S	*	*			trans	-80.6	26.6	168.2	-59.2	177.7	128.7	0	0	112	E663	E661-E663 PolarHBondContact O-N 2.94Å; E661-E663 VanDerWaalsContact O-N 3.09Å
662	D	33.3	Very low	34.8	Very low	104 Å²	104	115 Å²	115	56%	0.556	62%	0.62	S	S	*	*			trans	-72.3	99.4	177.5	-77	-54.8	0	0	0	109.7	N660 N664	N660-D662 HydrophobicContact CB-CB 4.3Å; N660-D662 WeakPolarHBondContact CB-OD2 3.45Å; N660-D662 PolarHBondContact ND2-OD2 3.06Å; N660-D662 PolarHBondContact O-N 3.21Å; D662-N664 PolarHBondContact O-N 3.14Å
663	E	31.7	Very low	35.7	Very low	154 Å²	154	115.3 Å²	115.3	72%	0.72	61%	0.611	S	S	*	*			trans	-65.4	27.4	177.1	-65.8	-160.7	106.3	0	0	114.5	E661 H665 K669	E661-E663 PolarHBondContact O-N 2.94Å; E661-E663 VanDerWaalsContact O-N 3.09Å; E663-H665 PolarHBondContact O-N 3.11Å; E663-K669 IonicContact OE1-NZ 3.92Å; E663-K669 PolarHBondContact OE1-NZ 2.98Å
664	N	37.9	Very low	37.3	Very low	107 Å²	107	114.5 Å²	114.5	57%	0.572	60%	0.6	S	S	*	*			trans	-90.6	6.2	-165.1	-80.7	-58.2	0	0	0	115.7	D662	D662-N664 PolarHBondContact O-N 3.14Å
665	H	36.1	Very low	38.9	Very low	166 Å²	166	107.9 Å²	107.9	77%	0.769	57%	0.567	S	S	*	*	S	Bend	trans	-98.8	133.6	162.7	-88.5	-62.3	0	0	0	110.5	E663 Q667	E663-H665 PolarHBondContact O-N 3.11Å; H665-Q667 PolarHBondContact O-N 3.15Å
666	L	40.6	Very low	41.2	Very low	125 Å²	125	104.4 Å²	104.4	65%	0.654	54%	0.537	S	S	*	.			trans	-67.4	62.8	169.5	-70.7	161.5	0	0	0	110.8	W668	L666-W668 PolarHBondContact O-N 2.88Å
667	Q	34.2	Very low	43.7	Very low	140 Å²	140	102 Å²	102	65%	0.654	52%	0.517	S	S	*	.			trans	-71.2	116.3	160.8	-75.9	-169.7	-4.4	0	0	107.7	H665 K669	H665-Q667 PolarHBondContact O-N 3.15Å; Q667-K669 VanDerWaalsContact C-N 3.25Å; Q667-K669 PolarHBondContact O-N 3.42Å
668	W	37.8	Very low	46.3	Very low	84 Å²	84	99.2 Å²	99.2	32%	0.318	50%	0.498	S	S	.	.			trans	-57	94.1	156.6	-53	84.9	0	0	0	107.1	R577 I578 L666 T670	R577-W668 HydrophobicContact CG-CZ3 4.31Å; I578-W668 HydrophobicContact CG1-CH2 4.42Å; I578-W668 HydrophobicContact CG2-CH2 4.36Å; L666-W668 PolarHBondContact O-N 2.88Å; W668-T670 PolarHBondContact O-N 3.03Å
669	K	34.6	Very low	49.2	Very low	136 Å²	136	91 Å²	91	59%	0.591	46%	0.458	S	S	*	.			trans	-50.4	139.1	177.6	-84.7	177.8	174.6	167.9	0	108	E663 Q667 I671	E663-K669 IonicContact OE1-NZ 3.92Å; E663-K669 PolarHBondContact OE1-NZ 2.98Å; Q667-K669 VanDerWaalsContact C-N 3.25Å; Q667-K669 PolarHBondContact O-N 3.42Å; K669-I671 HydrophobicContact CB-CD1 4.44Å; K669-I671 WeakPolarHBondContact O-CD1 3.47Å; K669-I671 PolarHBondContact O-N 2.94Å
670	T	32.7	Very low	52	Low	137 Å²	137	89.3 Å²	89.3	84%	0.84	44%	0.441	S	S	*	.	S	Bend	trans	-78.8	50.9	-149.9	-37.5	0	0	0	0	115.2	W668	W668-T670 PolarHBondContact O-N 3.03Å
671	I	38.8	Very low	55.1	Low	101 Å²	101	83.2 Å²	83.2	52%	0.518	41%	0.409	S	S	.	.			trans	-60.5	148.3	157.1	-67.8	73.9	0	0	0	107.8	R427 K669 E674	R427-I671 PolarHBondContact NH2-O 2.84Å; K669-I671 HydrophobicContact CB-CD1 4.44Å; K669-I671 WeakPolarHBondContact O-CD1 3.47Å; K669-I671 PolarHBondContact O-N 2.94Å; I671-E674 VanDerWaalsContact CG2-CD 3.41Å; I671-E674 WeakPolarHBondContact CG2-OE1 3.35Å; I671-E674 WeakPolarHBondContact CG2-OE2 3.49Å
672	G	43.5	Very low	58	Low	23 Å²	23	73.7 Å²	73.7	24%	0.237	36%	0.364	C	S	.	.			trans	-66.7	-174.2	-174.2	0	0	0	0	0	114	R427 E674	R427-G672 VanDerWaalsContact NH2-C 3.35Å; R427-G672 PolarHBondContact NH2-O 3.04Å; G672-E674 PolarHBondContact O-N 2.93Å
673	Y	57.6	Low	60.8	Low	70 Å²	70	68.9 Å²	68.9	28%	0.275	34%	0.339	S	S	.	.			trans	-64.8	123.5	162.8	-58.5	-65.8	0	0	0	108.7	R427 V428 K710 Y711	R427-Y673 HydrophobicContact CB-CE1 4.41Å; R427-Y673 HydrophobicContact CG-CD1 4.26Å; R427-Y673 HydrophobicContact CG-CE1 3.33Å; V428-Y673 WeakPolarHBondContact O-CD1 3.32Å; V428-Y673 WeakPolarHBondContact O-CE1 3.44Å; Y673-K710 WeakPolarHBondContact O-CA 3.39Å; Y673-K710 WeakPolarHBondContact O-CB 3.46Å; Y673-K710 WeakPolarHBondContact O-CG 3.38Å; Y673-Y711 HydrophobicContact CD1-CE1 4.47Å; Y673-Y711 HydrophobicContact CD2-CD1 4.45Å; Y673-Y711 AromaticContact CD2-CE1 3.58Å; Y673-Y711 HydrophobicContact CD2-CE1 3.58Å; Y673-Y711 HydrophobicContact CE2-CE1 4.13Å; Y673-Y711 HydrophobicContact CG-CD1 4.29Å; Y673-Y711 AromaticContact CG-CE1 3.76Å; Y673-Y711 HydrophobicContact CG-CE1 3.76Å
674	E	67.2	Low	63.5	Low	64 Å²	64	63.9 Å²	63.9	30%	0.299	32%	0.317	S	S	.	.			trans	-140.2	109.7	-175	-96.4	165.8	-139.2	0	0	109.5	I671 G672 T708 A709	I671-E674 VanDerWaalsContact CG2-CD 3.41Å; I671-E674 WeakPolarHBondContact CG2-OE1 3.35Å; I671-E674 WeakPolarHBondContact CG2-OE2 3.49Å; G672-E674 PolarHBondContact O-N 2.93Å; E674-T708 HydrophobicContact CB-CG2 3.59Å; E674-T708 HydrophobicContact CG-CG2 3.79Å; E674-A709 CarbonylContact C-O 3.32Å; E674-A709 WeakPolarHBondContact CA-O 3.48Å
675	T	70.2	Confident	65.9	Low	11 Å²	11	63 Å²	63	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	141.6	175.9	46.3	0	0	0	0	109.7	L644 T708 A709 M787	L644-T675 HydrophobicContact CD2-CG2 4.24Å; T675-T708 WeakPolarHBondContact O-CA 3.09Å; T675-A709 PolarHBondContact N-O 2.99Å; T675-A709 PolarHBondContact O-N 2.83Å; T675-A709 VanDerWaalsContact O-N 3.16Å; T675-A709 PolarHBondContact OG1-O 3.26Å; T675-M787 HydrophobicContact CG2-CE 4Å; T675-M787 WeakPolarHBondContact OG1-CE 3.48Å
676	R	80.1	Confident	68.3	Low	38 Å²	38	55.4 Å²	55.4	14%	0.143	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.3	176.7	-65.2	-171.5	-61.2	104.9	3.4	109.5	D432 D579 D580 G581 C639 I706 I707	D432-R676 VanDerWaalsContact CG-NH2 3.26Å; D432-R676 IonicContact OD1-CZ 2.74Å; D432-R676 IonicContact OD1-NE 3.18Å; D432-R676 IonicContact OD1-NH2 3.61Å; D432-R676 PolarHBondContact OD1-NH2 2.99Å; D432-R676 IonicContact OD2-NH2 3.34Å; D432-R676 PolarHBondContact OD2-NH2 2.87Å; D579-R676 VanDerWaalsContact O-CD 3.3Å; D579-R676 WeakPolarHBondContact O-CD 3.36Å; D579-R676 PolarHBondContact O-NE 2.99Å; D580-R676 VanDerWaalsContact C-NE 3.27Å; G581-R676 VanDerWaalsContact CA-CZ 3.44Å; C639-R676 PolarHBondContact SG-NH2 3.19Å; R676-I706 HydrophobicContact CB-CG2 3.93Å; R676-I706 HydrophobicContact CG-CG2 4.48Å; R676-I707 WeakPolarHBondContact CA-O 3.39Å
677	I	86.2	Confident	70.6	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.5	-173.8	-71.4	159.7	0	0	0	109.4	I706 I707 L781 M787 L790	I677-I706 WeakPolarHBondContact O-CA 3.41Å; I677-I707 HydrophobicContact CB-CG1 4.11Å; I677-I707 HydrophobicContact CG2-CG1 4.42Å; I677-I707 PolarHBondContact N-O 2.92Å; I677-I707 PolarHBondContact O-N 2.85Å; I677-L781 HydrophobicContact CD1-CD1 4.17Å; I677-L781 HydrophobicContact CD1-CD2 3.43Å; I677-L781 VanDerWaalsContact CD1-CD2 3.43Å; I677-L781 HydrophobicContact CD1-CG 3.83Å; I677-M787 HydrophobicContact CD1-CE 3.93Å; I677-M787 WeakPolarHBondContact CG1-O 3.5Å; I677-L790 HydrophobicContact CG2-CB 3.57Å
678	N	86.7	Confident	73.1	Confident	48 Å²	48	48.1 Å²	48.1	26%	0.257	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	130.9	173.1	-62.6	-49.7	0	0	0	109.3	F680 I706 E788 D789 L790	N678-F680 HydrophobicContact CB-CD2 4.09Å; N678-F680 HydrophobicContact CB-CE2 3.39Å; N678-F680 HydrophobicContact CB-CZ 4.02Å; N678-I706 WeakPolarHBondContact OD1-CG1 3.35Å; N678-E788 PolarHBondContact N-O 3.12Å; N678-D789 PolarHBondContact ND2-OD1 3.22Å; N678-L790 PolarHBondContact O-N 3.08Å
679	V	91.8	Very high	75.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.4	173.9	-173.1	0	0	0	0	109.1	I704 G705 I707 I722 L790 L792	V679-I704 HydrophobicContact CG1-CD1 3.86Å; V679-I704 PolarHBondContact O-N 2.94Å; V679-G705 PolarHBondContact N-O 3.16Å; V679-I707 HydrophobicContact CG2-CB 4.24Å; V679-I707 HydrophobicContact CG2-CD1 3.95Å; V679-I707 HydrophobicContact CG2-CG1 3.7Å; V679-I707 HydrophobicContact CG2-CG2 3.75Å; V679-I722 HydrophobicContact CG1-CD1 4.2Å; V679-I722 HydrophobicContact CG2-CD1 4.39Å; V679-I722 HydrophobicContact CG2-CG1 4.38Å; V679-L790 WeakPolarHBondContact CA-O 3.29Å; V679-L792 HydrophobicContact CG1-CD1 3.63Å; V679-L792 HydrophobicContact CG1-CG 3.95Å
680	F	91.9	Very high	77.4	Confident	40 Å²	40	47.2 Å²	47.2	18%	0.175	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.7	175.9	-59.6	-97.4	0	0	0	111	N678 A701 I702 W703 D789 L790 F791 L792	N678-F680 HydrophobicContact CB-CD2 4.09Å; N678-F680 HydrophobicContact CB-CE2 3.39Å; N678-F680 HydrophobicContact CB-CZ 4.02Å; F680-A701 HydrophobicContact CB-CB 3.9Å; F680-A701 HydrophobicContact CD1-CB 4.35Å; F680-A701 HydrophobicContact CG-CB 4.41Å; F680-I702 CarbonylContact C-O 3.51Å; F680-I702 VanDerWaalsContact CA-O 3.25Å; F680-I702 WeakPolarHBondContact CA-O 3.42Å; F680-W703 HydrophobicContact CD1-CB 3.83Å; F680-W703 HydrophobicContact CE1-CB 3.75Å; F680-W703 AromaticContact CE1-CD1 3.9Å; F680-W703 HydrophobicContact CE1-CG 4.25Å; F680-W703 AromaticContact CZ-CD1 3.97Å; F680-D789 HydrophobicContact CD2-CB 4.32Å; F680-D789 HydrophobicContact CE2-CB 4.04Å; F680-D789 WeakPolarHBondContact CE2-OD1 3.5Å; F680-L790 PolarHBondContact N-O 3.01Å; F680-F791 HydrophobicContact CB-CD1 3.8Å; F680-F791 HydrophobicContact CB-CE1 3.94Å; F680-F791 HydrophobicContact CD2-CD1 4.46Å; F680-F791 AromaticContact CD2-CE1 3.99Å; F680-F791 HydrophobicContact CD2-CE1 3.99Å; F680-F791 HydrophobicContact CD2-CZ 4.27Å; F680-F791 HydrophobicContact CG-CD1 4.39Å; F680-F791 HydrophobicContact CG-CE1 4.04Å; F680-F791 CarbonylContact O-C 3.55Å; F680-F791 WeakPolarHBondContact O-CA 3.48Å; F680-L792 PolarHBondContact O-N 3.29Å
681	V	93.2	Very high	79.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.2	172.3	60.4	0	0	0	0	111.6	A701 I702 I704 V750 L752 L792 D794 L797	V681-A701 WeakPolarHBondContact O-CA 3.42Å; V681-I702 HydrophobicContact CG1-CB 4.39Å; V681-I702 PolarHBondContact N-O 2.97Å; V681-I702 PolarHBondContact O-N 2.91Å; V681-I704 HydrophobicContact CB-CD1 3.67Å; V681-I704 HydrophobicContact CB-CG1 4.16Å; V681-I704 HydrophobicContact CG1-CD1 3.8Å; V681-I704 HydrophobicContact CG1-CG1 3.77Å; V681-V750 HydrophobicContact CG1-CB 4.49Å; V681-V750 HydrophobicContact CG1-CG1 3.83Å; V681-L752 HydrophobicContact CB-CD2 4.05Å; V681-L752 HydrophobicContact CG2-CD2 3.77Å; V681-L792 HydrophobicContact CB-CB 4.44Å; V681-L792 HydrophobicContact CG2-CB 4.46Å; V681-D794 HydrophobicContact CG2-CB 3.64Å; V681-L797 HydrophobicContact CG1-CD2 3.81Å; V681-L797 HydrophobicContact CG2-CD1 4.28Å; V681-L797 HydrophobicContact CG2-CD2 4.08Å
682	I	92.1	Very high	80.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.5	178.1	-65.3	172.2	0	0	0	108.4	L684 N686 L697 A701 I759 F768 F791 L792 I793 D794	I682-L684 PolarHBondContact O-N 2.65Å; I682-N686 HydrophobicContact CG2-CB 4.29Å; I682-L697 HydrophobicContact CD1-CD1 4.23Å; I682-L697 HydrophobicContact CD1-CG 4.05Å; I682-L697 HydrophobicContact CG2-CD1 3.59Å; I682-A701 HydrophobicContact CD1-CB 4Å; I682-A701 HydrophobicContact CG1-CB 3.53Å; I682-I759 HydrophobicContact CD1-CD1 3.9Å; I682-F768 HydrophobicContact CD1-CE2 4.31Å; I682-F791 HydrophobicContact CD1-CB 4.41Å; I682-F791 HydrophobicContact CD1-CD1 3.92Å; I682-F791 HydrophobicContact CD1-CG 4.49Å; I682-L792 PolarHBondContact N-O 3.14Å; I682-I793 WeakPolarHBondContact O-CA 3.36Å; I682-D794 PolarHBondContact O-N 3.37Å; I682-D794 VanDerWaalsContact O-N 3.11Å
683	A	91.1	Very high	82.5	Confident	3 Å²	3	43.2 Å²	43.2	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	131.7	173.2	0	0	0	0	0	110.9	K685 N686 Y687 L797	A683-K685 PolarHBondContact O-N 3.07Å; A683-K685 VanDerWaalsContact O-N 3.16Å; A683-N686 HydrophobicContact CB-CB 4.46Å; A683-N686 WeakPolarHBondContact O-CA 3.47Å; A683-N686 WeakPolarHBondContact O-CB 3.38Å; A683-N686 PolarHBondContact O-N 2.78Å; A683-Y687 PolarHBondContact O-N 3.24Å; A683-L797 HydrophobicContact CB-CB 3.79Å
684	L	89.5	Confident	83.2	Confident	49 Å²	49	41.1 Å²	41.1	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-49.5	-43.8	176.3	-177.9	69.8	0	0	0	112.2	I682 N686 Y687 D688 R770 I793 D794	I682-L684 PolarHBondContact O-N 2.65Å; L684-N686 PolarHBondContact O-N 3.27Å; L684-Y687 PolarHBondContact O-N 2.9Å; L684-D688 PolarHBondContact O-N 2.9Å; L684-R770 VanDerWaalsContact CD1-CZ 3.49Å; L684-I793 HydrophobicContact CB-CG2 3.86Å; L684-I793 HydrophobicContact CD1-CG2 3.68Å; L684-I793 HydrophobicContact CG-CG2 4.42Å; L684-D794 WeakPolarHBondContact CB-O 3.37Å; L684-D794 PolarHBondContact N-O 2.73Å
685	K	87.5	Confident	83.4	Confident	89 Å²	89	41.5 Å²	41.5	39%	0.387	21%	0.205	S	C	.	.	H	α-helix	trans	-58.5	-23.7	176.4	-63.5	171.2	-177	167.1	0	114.2	A683 K689 E798	A683-K685 PolarHBondContact O-N 3.07Å; A683-K685 VanDerWaalsContact O-N 3.16Å; K685-K689 WeakPolarHBondContact O-CD 3.48Å; K685-K689 WeakPolarHBondContact O-CG 3.07Å; K685-E798 IonicContact NZ-OE1 2.74Å; K685-E798 PolarHBondContact NZ-OE1 3.46Å
686	N	87.4	Confident	83.7	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.027	21%	0.214	C	C	.	.	H	α-helix	trans	-85.4	-50.8	174.4	-64.1	-8.9	0	0	0	109.7	I682 A683 L684 D688 K689 M690 T700 S799	I682-N686 HydrophobicContact CG2-CB 4.29Å; A683-N686 HydrophobicContact CB-CB 4.46Å; A683-N686 WeakPolarHBondContact O-CA 3.47Å; A683-N686 WeakPolarHBondContact O-CB 3.38Å; A683-N686 PolarHBondContact O-N 2.78Å; L684-N686 PolarHBondContact O-N 3.27Å; N686-D688 VanDerWaalsContact C-N 3.28Å; N686-D688 PolarHBondContact O-N 2.77Å; N686-K689 PolarHBondContact O-N 2.91Å; N686-M690 WeakPolarHBondContact O-CG 3.2Å; N686-M690 PolarHBondContact O-N 2.87Å; N686-T700 WeakPolarHBondContact ND2-CB 3.38Å; N686-T700 PolarHBondContact ND2-OG1 3.22Å; N686-S799 WeakPolarHBondContact OD1-CB 3.24Å
687	Y	88.7	Confident	83.8	Confident	13 Å²	13	41 Å²	41	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-52.6	-46.3	177.3	-178.8	-74	0	0	0	111.9	A683 L684 K689 M690 S691 L697 I759 F768 R770 I793	A683-Y687 PolarHBondContact O-N 3.24Å; L684-Y687 PolarHBondContact O-N 2.9Å; Y687-K689 PolarHBondContact O-N 3Å; Y687-K689 VanDerWaalsContact O-N 3.11Å; Y687-M690 PolarHBondContact O-N 3.18Å; Y687-S691 WeakPolarHBondContact O-CA 3.11Å; Y687-S691 WeakPolarHBondContact O-CB 3.26Å; Y687-S691 PolarHBondContact O-N 2.66Å; Y687-L697 HydrophobicContact CD2-CD2 4.1Å; Y687-I759 HydrophobicContact CD2-CD1 4.3Å; Y687-F768 HydrophobicContact CE2-CB 3.9Å; Y687-F768 PolarHBondContact OH-O 2.77Å; Y687-R770 HydrophobicContact CE1-CG 4.09Å; Y687-R770 HydrophobicContact CE2-CG 4.32Å; Y687-R770 PolarHBondContact OH-N 2.85Å; Y687-I793 HydrophobicContact CD1-CD1 4.19Å; Y687-I793 HydrophobicContact CD2-CD1 3.35Å; Y687-I793 HydrophobicContact CD2-CG1 4.13Å; Y687-I793 HydrophobicContact CE1-CD1 4.41Å; Y687-I793 HydrophobicContact CE2-CD1 3.66Å; Y687-I793 HydrophobicContact CG-CD1 3.65Å
688	D	85.8	Confident	83.6	Confident	100 Å²	100	44.8 Å²	44.8	54%	0.535	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-18.6	-179.7	-70.5	-31.2	0	0	0	113.8	L684 N686 R770	L684-D688 PolarHBondContact O-N 2.9Å; N686-D688 VanDerWaalsContact C-N 3.28Å; N686-D688 PolarHBondContact O-N 2.77Å; D688-R770 IonicContact OD1-CZ 3.62Å; D688-R770 IonicContact OD1-NH1 3.97Å; D688-R770 IonicContact OD1-NH2 2.64Å; D688-R770 PolarHBondContact OD1-NH2 2.92Å
689	K	83.6	Confident	83.4	Confident	162 Å²	162	49.9 Å²	49.9	70%	0.704	24%	0.244	S	C	*	.	H	α-helix	trans	-98.8	-28.8	179.1	-68.2	176.9	-176.7	175.3	0	114.1	K685 N686 Y687	K685-K689 WeakPolarHBondContact O-CD 3.48Å; K685-K689 WeakPolarHBondContact O-CG 3.07Å; N686-K689 PolarHBondContact O-N 2.91Å; Y687-K689 PolarHBondContact O-N 3Å; Y687-K689 VanDerWaalsContact O-N 3.11Å
690	M	79.1	Confident	83	Confident	39 Å²	39	51 Å²	51	19%	0.192	25%	0.251	C	S	.	.	H	α-helix	trans	-139.9	30	-168.4	49.8	168.9	71.6	0	0	113.1	N686 Y687 D692 D693 L697 T700 L801	N686-M690 WeakPolarHBondContact O-CG 3.2Å; N686-M690 PolarHBondContact O-N 2.87Å; Y687-M690 PolarHBondContact O-N 3.18Å; M690-D692 PolarHBondContact O-N 3.09Å; M690-D693 HydrophobicContact CB-CB 4.4Å; M690-D693 CarbonylContact O-C 3.54Å; M690-D693 PolarHBondContact O-N 2.94Å; M690-L697 HydrophobicContact CG-CB 4.44Å; M690-L697 HydrophobicContact CG-CD1 4.13Å; M690-L697 HydrophobicContact SD-CB 4.39Å; M690-L697 HydrophobicContact SD-CD1 4.48Å; M690-T700 HydrophobicContact SD-CG2 4.09Å; M690-L801 HydrophobicContact CE-CD1 3.72Å
691	S	74.3	Confident	82.9	Confident	10 Å²	10	50 Å²	50	7%	0.07	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-26.9	175.5	49.3	0	0	0	0	115.1	Y687 R767 F768	Y687-S691 WeakPolarHBondContact O-CA 3.11Å; Y687-S691 WeakPolarHBondContact O-CB 3.26Å; Y687-S691 PolarHBondContact O-N 2.66Å; S691-R767 VanDerWaalsContact CB-NH2 3.33Å; S691-R767 WeakPolarHBondContact O-CG 3.38Å; S691-R767 VanDerWaalsContact OG-CZ 3.29Å; S691-R767 PolarHBondContact OG-NH1 3.03Å; S691-R767 PolarHBondContact OG-NH2 2.83Å; S691-F768 PolarHBondContact O-N 3.29Å
692	D	72.3	Confident	82.7	Confident	99 Å²	99	52.3 Å²	52.3	53%	0.529	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-10.7	-177.5	-54	-88.7	0	0	0	112.7	M690 R767	M690-D692 PolarHBondContact O-N 3.09Å; D692-R767 WeakPolarHBondContact OD1-CD 3.34Å; D692-R767 IonicContact OD1-CZ 3.88Å; D692-R767 IonicContact OD1-NE 3.82Å; D692-R767 IonicContact OD1-NH1 3.04Å; D692-R767 PolarHBondContact OD1-NH1 2.77Å; D692-R767 IonicContact OD2-CZ 3.49Å; D692-R767 IonicContact OD2-NH1 4Å; D692-R767 PolarHBondContact OD2-NH1 2.81Å
693	D	75.8	Confident	82.4	Confident	67 Å²	67	58.7 Å²	58.7	36%	0.358	29%	0.286	S	S	.	.			trans	-103.6	77.6	167	-176.3	-6.8	0	0	0	108.9	M690 I695 S696 L697	M690-D693 HydrophobicContact CB-CB 4.4Å; M690-D693 CarbonylContact O-C 3.54Å; M690-D693 PolarHBondContact O-N 2.94Å; D693-I695 PolarHBondContact O-N 3.48Å; D693-I695 PolarHBondContact OD1-N 3.15Å; D693-I695 VanDerWaalsContact OD1-N 3.11Å; D693-S696 VanDerWaalsContact CG-CB 3.49Å; D693-S696 VanDerWaalsContact CG-OG 3.28Å; D693-S696 PolarHBondContact O-N 3.34Å; D693-S696 PolarHBondContact OD1-N 3.28Å; D693-S696 WeakPolarHBondContact OD2-CB 3.28Å; D693-S696 PolarHBondContact OD2-OG 2.85Å; D693-L697 WeakPolarHBondContact O-CB 3.35Å; D693-L697 PolarHBondContact O-N 3.37Å
694	V	71.9	Confident	82.1	Confident	26 Å²	26	60 Å²	60	16%	0.158	29%	0.293	C	S	.	.	H	α-helix	trans	-51.9	-27	177.2	170.8	0	0	0	0	112.7	R698 F768	V694-R698 VanDerWaalsContact O-CB 3.3Å; V694-R698 WeakPolarHBondContact O-CB 2.98Å; V694-R698 VanDerWaalsContact O-CG 3.29Å; V694-R698 WeakPolarHBondContact O-CG 3.31Å; V694-R698 PolarHBondContact O-N 3.07Å; V694-F768 HydrophobicContact CB-CD1 4.46Å; V694-F768 HydrophobicContact CB-CE1 4.36Å; V694-F768 HydrophobicContact CG1-CD1 3.96Å; V694-F768 HydrophobicContact CG1-CE1 3.41Å; V694-F768 VanDerWaalsContact CG1-CE1 3.41Å; V694-F768 HydrophobicContact CG1-CZ 3.83Å; V694-F768 HydrophobicContact CG2-CD1 3.79Å; V694-F768 HydrophobicContact CG2-CE1 4.14Å; V694-F768 HydrophobicContact CG2-CG 4.35Å
695	I	71.7	Confident	81.9	Confident	72 Å²	72	58 Å²	58	37%	0.369	28%	0.283	S	S	.	.	H	α-helix	trans	-80.3	-53.3	-176.5	-59.5	157.3	0	0	0	110.1	D693 L697 R698 Q699 K1185	D693-I695 PolarHBondContact O-N 3.48Å; D693-I695 PolarHBondContact OD1-N 3.15Å; D693-I695 VanDerWaalsContact OD1-N 3.11Å; I695-L697 PolarHBondContact O-N 2.96Å; I695-R698 PolarHBondContact O-N 2.78Å; I695-Q699 WeakPolarHBondContact O-CG 3.5Å; I695-Q699 PolarHBondContact O-N 3.39Å; I695-K1185 HydrophobicContact CD1-CD 3.69Å; I695-K1185 HydrophobicContact CD1-CG 4.36Å
696	S	77.9	Confident	81.9	Confident	38 Å²	38	56.7 Å²	56.7	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-37.7	174.3	-62.9	0	0	0	0	110.9	D693 Q699 T700	D693-S696 VanDerWaalsContact CG-CB 3.49Å; D693-S696 VanDerWaalsContact CG-OG 3.28Å; D693-S696 PolarHBondContact O-N 3.34Å; D693-S696 PolarHBondContact OD1-N 3.28Å; D693-S696 WeakPolarHBondContact OD2-CB 3.28Å; D693-S696 PolarHBondContact OD2-OG 2.85Å; S696-Q699 WeakPolarHBondContact O-CB 3.35Å; S696-Q699 PolarHBondContact O-N 2.89Å; S696-Q699 VanDerWaalsContact O-N 3.17Å; S696-T700 PolarHBondContact O-N 2.91Å; S696-T700 VanDerWaalsContact O-N 3.14Å
697	L	81.5	Confident	82	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-49	176.6	-174.5	59.3	0	0	0	111.9	I682 Y687 M690 D693 I695 Q699 T700 F768	I682-L697 HydrophobicContact CD1-CD1 4.23Å; I682-L697 HydrophobicContact CD1-CG 4.05Å; I682-L697 HydrophobicContact CG2-CD1 3.59Å; Y687-L697 HydrophobicContact CD2-CD2 4.1Å; M690-L697 HydrophobicContact CG-CB 4.44Å; M690-L697 HydrophobicContact CG-CD1 4.13Å; M690-L697 HydrophobicContact SD-CB 4.39Å; M690-L697 HydrophobicContact SD-CD1 4.48Å; D693-L697 WeakPolarHBondContact O-CB 3.35Å; D693-L697 PolarHBondContact O-N 3.37Å; I695-L697 PolarHBondContact O-N 2.96Å; L697-Q699 VanDerWaalsContact C-N 3.3Å; L697-Q699 PolarHBondContact O-N 2.84Å; L697-T700 PolarHBondContact O-N 3.03Å; L697-T700 PolarHBondContact O-OG1 3.33Å; L697-F768 HydrophobicContact CD2-CB 4.07Å; L697-F768 HydrophobicContact CD2-CD2 3.47Å; L697-F768 VanDerWaalsContact CD2-CD2 3.47Å; L697-F768 HydrophobicContact CD2-CE2 4.25Å; L697-F768 HydrophobicContact CD2-CG 4.01Å; L697-F768 HydrophobicContact CG-CD2 4.13Å; L697-F768 HydrophobicContact CG-CE2 4.49Å
698	R	81.8	Confident	81.8	Confident	81 Å²	81	58.9 Å²	58.9	31%	0.306	30%	0.295	S	S	.	.	H	α-helix	trans	-59	-36.8	171.6	-82.2	-178.7	171.9	-113.2	2.5	112.3	V694 I695 T700 A701 F768 D789 F791	V694-R698 VanDerWaalsContact O-CB 3.3Å; V694-R698 WeakPolarHBondContact O-CB 2.98Å; V694-R698 VanDerWaalsContact O-CG 3.29Å; V694-R698 WeakPolarHBondContact O-CG 3.31Å; V694-R698 PolarHBondContact O-N 3.07Å; I695-R698 PolarHBondContact O-N 2.78Å; R698-T700 PolarHBondContact O-N 2.87Å; R698-A701 VanDerWaalsContact O-CB 3.23Å; R698-A701 WeakPolarHBondContact O-CB 3.44Å; R698-A701 PolarHBondContact O-N 3.05Å; R698-A701 VanDerWaalsContact O-N 3.1Å; R698-F768 HydrophobicContact CG-CE2 4.17Å; R698-F768 HydrophobicContact CG-CZ 3.85Å; R698-D789 IonicContact NH1-OD2 3.42Å; R698-D789 PolarHBondContact NH1-OD2 3.23Å; R698-F791 HydrophobicContact CG-CE1 4.01Å; R698-F791 HydrophobicContact CG-CE2 4.42Å; R698-F791 HydrophobicContact CG-CZ 3.81Å; R698-F791 VanDerWaalsContact CZ-CE2 3.43Å
699	Q	81.6	Confident	81.6	Confident	154 Å²	154	54.3 Å²	54.3	72%	0.72	27%	0.271	S	S	*	.	H	α-helix	trans	-66.7	-19.5	175.3	-73.1	176.4	-3.6	0	0	113.8	I695 S696 L697	I695-Q699 WeakPolarHBondContact O-CG 3.5Å; I695-Q699 PolarHBondContact O-N 3.39Å; S696-Q699 WeakPolarHBondContact O-CB 3.35Å; S696-Q699 PolarHBondContact O-N 2.89Å; S696-Q699 VanDerWaalsContact O-N 3.17Å; L697-Q699 VanDerWaalsContact C-N 3.3Å; L697-Q699 PolarHBondContact O-N 2.84Å
700	T	85	Confident	81.3	Confident	24 Å²	24	50.8 Å²	50.8	15%	0.147	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1.7	171.9	72.5	0	0	0	0	114.5	N686 M690 S696 L697 R698 L801	N686-T700 WeakPolarHBondContact ND2-CB 3.38Å; N686-T700 PolarHBondContact ND2-OG1 3.22Å; M690-T700 HydrophobicContact SD-CG2 4.09Å; S696-T700 PolarHBondContact O-N 2.91Å; S696-T700 VanDerWaalsContact O-N 3.14Å; L697-T700 PolarHBondContact O-N 3.03Å; L697-T700 PolarHBondContact O-OG1 3.33Å; R698-T700 PolarHBondContact O-N 2.87Å; T700-L801 HydrophobicContact CG2-CD1 3.96Å; T700-L801 HydrophobicContact CG2-CD2 4.47Å; T700-L801 HydrophobicContact CG2-CG 4.26Å
701	A	88.7	Confident	80.8	Confident	19 Å²	19	53.3 Å²	53.3	16%	0.157	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-81.3	128.7	-177.1	0	0	0	0	0	111.2	F680 V681 I682 R698 F791	F680-A701 HydrophobicContact CB-CB 3.9Å; F680-A701 HydrophobicContact CD1-CB 4.35Å; F680-A701 HydrophobicContact CG-CB 4.41Å; V681-A701 WeakPolarHBondContact O-CA 3.42Å; I682-A701 HydrophobicContact CD1-CB 4Å; I682-A701 HydrophobicContact CG1-CB 3.53Å; R698-A701 VanDerWaalsContact O-CB 3.23Å; R698-A701 WeakPolarHBondContact O-CB 3.44Å; R698-A701 PolarHBondContact O-N 3.05Å; R698-A701 VanDerWaalsContact O-N 3.1Å; A701-F791 HydrophobicContact CB-CD1 3.93Å; A701-F791 HydrophobicContact CB-CE1 3.81Å
702	I	88.5	Confident	80.7	Confident	48 Å²	48	56.6 Å²	56.6	25%	0.246	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.3	-179.1	-49.9	175.9	0	0	0	109	F680 V681 V750 L797	F680-I702 CarbonylContact C-O 3.51Å; F680-I702 VanDerWaalsContact CA-O 3.25Å; F680-I702 WeakPolarHBondContact CA-O 3.42Å; V681-I702 HydrophobicContact CG1-CB 4.39Å; V681-I702 PolarHBondContact N-O 2.97Å; V681-I702 PolarHBondContact O-N 2.91Å; I702-V750 HydrophobicContact CB-CG2 4.35Å; I702-V750 HydrophobicContact CD1-CG2 4.21Å; I702-V750 HydrophobicContact CG2-CG2 3.7Å; I702-L797 HydrophobicContact CD1-CD2 4.06Å
703	W	86.6	Confident	81.3	Confident	134 Å²	134	52.5 Å²	52.5	51%	0.508	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.2	177.5	-177.6	85.1	0	0	0	111.1	F680 G705 I706	F680-W703 HydrophobicContact CD1-CB 3.83Å; F680-W703 HydrophobicContact CE1-CB 3.75Å; F680-W703 AromaticContact CE1-CD1 3.9Å; F680-W703 HydrophobicContact CE1-CG 4.25Å; F680-W703 AromaticContact CZ-CD1 3.97Å; W703-G705 PolarHBondContact NE1-O 2.88Å; W703-I706 HydrophobicContact CZ2-CD1 4.2Å; W703-I706 HydrophobicContact CZ2-CG1 4.03Å
704	I	85.4	Confident	82	Confident	31 Å²	31	51.1 Å²	51.1	16%	0.159	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-43	-180	-49.8	171.4	0	0	0	110	V679 V681 L752 L792	V679-I704 HydrophobicContact CG1-CD1 3.86Å; V679-I704 PolarHBondContact O-N 2.94Å; V681-I704 HydrophobicContact CB-CD1 3.67Å; V681-I704 HydrophobicContact CB-CG1 4.16Å; V681-I704 HydrophobicContact CG1-CD1 3.8Å; V681-I704 HydrophobicContact CG1-CG1 3.77Å; I704-L752 HydrophobicContact CD1-CD1 3.77Å; I704-L752 HydrophobicContact CD1-CD2 3.97Å; I704-L752 HydrophobicContact CD1-CG 3.99Å; I704-L792 HydrophobicContact CD1-CD1 4.01Å
705	G	84.8	Confident	83	Confident	6 Å²	6	49.9 Å²	49.9	6%	0.062	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-165.5	-174.7	0	0	0	0	0	112.2	V679 W703	V679-G705 PolarHBondContact N-O 3.16Å; W703-G705 PolarHBondContact NE1-O 2.88Å
706	I	86.9	Confident	83.9	Confident	63 Å²	63	48.2 Å²	48.2	32%	0.323	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.2	174.8	-69.7	161.6	0	0	0	108	R676 I677 N678 W703	R676-I706 HydrophobicContact CB-CG2 3.93Å; R676-I706 HydrophobicContact CG-CG2 4.48Å; I677-I706 WeakPolarHBondContact O-CA 3.41Å; N678-I706 WeakPolarHBondContact OD1-CG1 3.35Å; W703-I706 HydrophobicContact CZ2-CD1 4.2Å; W703-I706 HydrophobicContact CZ2-CG1 4.03Å
707	I	89.6	Confident	84.6	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	158.6	166.6	60.7	172.3	0	0	0	110.3	R676 I677 V679 V718 I721 I722 L725 L790	R676-I707 WeakPolarHBondContact CA-O 3.39Å; I677-I707 HydrophobicContact CB-CG1 4.11Å; I677-I707 HydrophobicContact CG2-CG1 4.42Å; I677-I707 PolarHBondContact N-O 2.92Å; I677-I707 PolarHBondContact O-N 2.85Å; V679-I707 HydrophobicContact CG2-CB 4.24Å; V679-I707 HydrophobicContact CG2-CD1 3.95Å; V679-I707 HydrophobicContact CG2-CG1 3.7Å; V679-I707 HydrophobicContact CG2-CG2 3.75Å; I707-V718 HydrophobicContact CD1-CG1 3.66Å; I707-I721 HydrophobicContact CB-CG2 4.01Å; I707-I721 HydrophobicContact CG2-CG2 3.87Å; I707-I722 HydrophobicContact CD1-CD1 4.32Å; I707-I722 HydrophobicContact CD1-CG1 4.18Å; I707-I722 HydrophobicContact CG2-CG1 3.92Å; I707-L725 HydrophobicContact CG2-CD2 3.9Å; I707-L790 HydrophobicContact CD1-CD2 4.01Å
708	T	84.2	Confident	85.2	Confident	60 Å²	60	48.7 Å²	48.7	37%	0.368	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.4	172.6	-59.4	0	0	0	0	107.4	E674 T675	E674-T708 HydrophobicContact CB-CG2 3.59Å; E674-T708 HydrophobicContact CG-CG2 3.79Å; T675-T708 WeakPolarHBondContact O-CA 3.09Å
709	A	83.4	Confident	85.8	Confident	3 Å²	3	46 Å²	46	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	161.8	-172	0	0	0	0	0	111.1	E674 T675 I721 L781	E674-A709 CarbonylContact C-O 3.32Å; E674-A709 WeakPolarHBondContact CA-O 3.48Å; T675-A709 PolarHBondContact N-O 2.99Å; T675-A709 PolarHBondContact O-N 2.83Å; T675-A709 VanDerWaalsContact O-N 3.16Å; T675-A709 PolarHBondContact OG1-O 3.26Å; A709-I721 HydrophobicContact CB-CD1 4.08Å; A709-L781 HydrophobicContact CB-CD2 3.78Å
710	K	76.5	Confident	86.3	Confident	89 Å²	89	44.4 Å²	44.4	39%	0.387	22%	0.221	S	C	.	.			trans	-81.7	151.4	177.1	-30.4	-162.6	-179.8	168.1	0	111.7	Y673 D712 T713	Y673-K710 WeakPolarHBondContact O-CA 3.39Å; Y673-K710 WeakPolarHBondContact O-CB 3.46Å; Y673-K710 WeakPolarHBondContact O-CG 3.38Å; K710-D712 WeakPolarHBondContact CB-OD1 3.37Å; K710-D712 PolarHBondContact O-N 3.33Å; K710-T713 VanDerWaalsContact C-OG1 3.32Å; K710-T713 VanDerWaalsContact CA-OG1 3.26Å; K710-T713 WeakPolarHBondContact CA-OG1 3.35Å; K710-T713 VanDerWaalsContact CB-OG1 3.25Å; K710-T713 WeakPolarHBondContact CB-OG1 3.46Å; K710-T713 PolarHBondContact N-OG1 3.05Å; K710-T713 VanDerWaalsContact O-CB 3.25Å; K710-T713 WeakPolarHBondContact O-CB 3.38Å; K710-T713 PolarHBondContact O-N 3.36Å; K710-T713 PolarHBondContact O-OG1 2.9Å
711	Y	69.5	Low	86.6	Confident	92 Å²	92	45.9 Å²	45.9	36%	0.361	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-33.5	173.5	71.5	-96.2	0	0	0	112.2	Y673 T713	Y673-Y711 HydrophobicContact CD1-CE1 4.47Å; Y673-Y711 HydrophobicContact CD2-CD1 4.45Å; Y673-Y711 AromaticContact CD2-CE1 3.58Å; Y673-Y711 HydrophobicContact CD2-CE1 3.58Å; Y673-Y711 HydrophobicContact CE2-CE1 4.13Å; Y673-Y711 HydrophobicContact CG-CD1 4.29Å; Y673-Y711 AromaticContact CG-CE1 3.76Å; Y673-Y711 HydrophobicContact CG-CE1 3.76Å; Y711-T713 VanDerWaalsContact C-N 3.3Å; Y711-T713 PolarHBondContact O-N 2.83Å
712	D	70.8	Confident	86.9	Confident	78 Å²	78	45.1 Å²	45.1	42%	0.417	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	17.9	177.1	59.2	-20.5	0	0	0	113.5	K710	K710-D712 WeakPolarHBondContact CB-OD1 3.37Å; K710-D712 PolarHBondContact O-N 3.33Å
713	T	85.9	Confident	87	Confident	13 Å²	13	45.6 Å²	45.6	8%	0.08	23%	0.226	C	C	.	.			trans	-78.7	129.3	174.1	-44.7	0	0	0	0	110.3	K710 Y711 T717 V718 L781	K710-T713 VanDerWaalsContact C-OG1 3.32Å; K710-T713 VanDerWaalsContact CA-OG1 3.26Å; K710-T713 WeakPolarHBondContact CA-OG1 3.35Å; K710-T713 VanDerWaalsContact CB-OG1 3.25Å; K710-T713 WeakPolarHBondContact CB-OG1 3.46Å; K710-T713 PolarHBondContact N-OG1 3.05Å; K710-T713 VanDerWaalsContact O-CB 3.25Å; K710-T713 WeakPolarHBondContact O-CB 3.38Å; K710-T713 PolarHBondContact O-N 3.36Å; K710-T713 PolarHBondContact O-OG1 2.9Å; Y711-T713 VanDerWaalsContact C-N 3.3Å; Y711-T713 PolarHBondContact O-N 2.83Å; T713-T717 HydrophobicContact CG2-CG2 3.62Å; T713-V718 HydrophobicContact CG2-CG2 3.71Å; T713-L781 PolarHBondContact O-N 3.31Å
714	D	89.8	Confident	87	Confident	38 Å²	38	44.9 Å²	44.9	20%	0.203	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-69.4	148.5	169.3	71.2	100.9	0	0	0	111.2	S716 T717 V718	D714-S716 PolarHBondContact O-N 2.56Å; D714-S716 WeakPolarHBondContact OD1-CA 3.17Å; D714-S716 WeakPolarHBondContact OD1-CB 3.49Å; D714-S716 PolarHBondContact OD1-N 2.94Å; D714-S716 VanDerWaalsContact OD1-N 3.11Å; D714-S716 PolarHBondContact OD1-OG 2.89Å; D714-T717 PolarHBondContact O-N 2.89Å; D714-T717 PolarHBondContact OD1-N 3.16Å; D714-T717 PolarHBondContact OD1-OG1 2.76Å; D714-T717 WeakPolarHBondContact OD2-CB 3.45Å; D714-T717 PolarHBondContact OD2-OG1 2.92Å; D714-V718 PolarHBondContact O-N 3.13Å
715	L	92.9	Very high	87.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-25.9	-178.1	-64.4	-173.8	0	0	0	113.8	T717 V718 R719 F758 I771 E776 H779 L781 V784	L715-T717 PolarHBondContact O-N 2.86Å; L715-V718 HydrophobicContact CD2-CB 4.36Å; L715-V718 HydrophobicContact CD2-CG2 4.27Å; L715-V718 PolarHBondContact O-N 3.29Å; L715-R719 WeakPolarHBondContact O-CB 3.44Å; L715-R719 PolarHBondContact O-N 3.35Å; L715-F758 HydrophobicContact CB-CD2 4.09Å; L715-F758 HydrophobicContact CB-CE2 3.77Å; L715-F758 HydrophobicContact CB-CZ 4.1Å; L715-F758 HydrophobicContact CD1-CB 4.17Å; L715-F758 HydrophobicContact CD1-CD1 4.47Å; L715-F758 HydrophobicContact CD1-CD2 4Å; L715-F758 HydrophobicContact CD1-CE2 4.48Å; L715-F758 HydrophobicContact CD1-CG 3.99Å; L715-F758 HydrophobicContact CD2-CD1 4.44Å; L715-F758 HydrophobicContact CD2-CE1 4.31Å; L715-F758 HydrophobicContact CD2-CZ 4.46Å; L715-F758 WeakPolarHBondContact O-CE2 3.41Å; L715-F758 WeakPolarHBondContact O-CZ 3.47Å; L715-I771 HydrophobicContact CD1-CD1 3.57Å; L715-E776 CarbonylContact C-O 3.52Å; L715-E776 WeakPolarHBondContact CA-O 3.25Å; L715-E776 HydrophobicContact CB-CB 3.96Å; L715-E776 HydrophobicContact CB-CG 4.32Å; L715-E776 WeakPolarHBondContact CB-O 3.29Å; L715-E776 PolarHBondContact N-O 3.12Å; L715-H779 HydrophobicContact CD1-CB 3.89Å; L715-H779 HydrophobicContact CG-CB 4.2Å; L715-H779 PolarHBondContact N-O 2.93Å; L715-H779 VanDerWaalsContact N-O 3.1Å; L715-L781 HydrophobicContact CD2-CD1 4.3Å; L715-V784 HydrophobicContact CD1-CG1 4.08Å; L715-V784 HydrophobicContact CD1-CG2 4.09Å; L715-V784 HydrophobicContact CD2-CG2 3.95Å
716	S	91.8	Very high	87.2	Confident	38 Å²	38	46 Å²	46	27%	0.266	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-27.5	174.4	96.4	0	0	0	0	112	D714 K720 E776	D714-S716 PolarHBondContact O-N 2.56Å; D714-S716 WeakPolarHBondContact OD1-CA 3.17Å; D714-S716 WeakPolarHBondContact OD1-CB 3.49Å; D714-S716 PolarHBondContact OD1-N 2.94Å; D714-S716 VanDerWaalsContact OD1-N 3.11Å; D714-S716 PolarHBondContact OD1-OG 2.89Å; S716-K720 WeakPolarHBondContact O-CE 3.47Å; S716-K720 WeakPolarHBondContact O-CG 3.43Å; S716-K720 PolarHBondContact O-NZ 3.23Å; S716-K720 VanDerWaalsContact O-NZ 3.09Å; S716-K720 PolarHBondContact OG-NZ 3.12Å; S716-E776 PolarHBondContact N-O 3.15Å
717	T	92.3	Very high	87	Confident	47 Å²	47	47.6 Å²	47.6	29%	0.288	24%	0.239	S	C	.	.	H	α-helix	trans	-83.5	-39.5	172.7	-61.5	0	0	0	0	111.6	T713 D714 L715 R719 K720 I721	T713-T717 HydrophobicContact CG2-CG2 3.62Å; D714-T717 PolarHBondContact O-N 2.89Å; D714-T717 PolarHBondContact OD1-N 3.16Å; D714-T717 PolarHBondContact OD1-OG1 2.76Å; D714-T717 WeakPolarHBondContact OD2-CB 3.45Å; D714-T717 PolarHBondContact OD2-OG1 2.92Å; L715-T717 PolarHBondContact O-N 2.86Å; T717-R719 PolarHBondContact O-N 3.44Å; T717-K720 WeakPolarHBondContact O-CB 3.35Å; T717-K720 PolarHBondContact O-N 2.94Å; T717-K720 VanDerWaalsContact O-N 3.14Å; T717-K720 PolarHBondContact OG1-NZ 2.86Å; T717-K720 VanDerWaalsContact OG1-NZ 3.09Å; T717-I721 PolarHBondContact O-N 3.23Å
718	V	93.1	Very high	86.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57	-39.8	170.1	178.2	0	0	0	0	111.3	I707 T713 D714 L715 K720 I721 I722 F758 L781 L790	I707-V718 HydrophobicContact CD1-CG1 3.66Å; T713-V718 HydrophobicContact CG2-CG2 3.71Å; D714-V718 PolarHBondContact O-N 3.13Å; L715-V718 HydrophobicContact CD2-CB 4.36Å; L715-V718 HydrophobicContact CD2-CG2 4.27Å; L715-V718 PolarHBondContact O-N 3.29Å; V718-K720 VanDerWaalsContact C-N 3.3Å; V718-K720 PolarHBondContact O-N 3.41Å; V718-I721 WeakPolarHBondContact O-CB 3.37Å; V718-I721 PolarHBondContact O-N 2.9Å; V718-I721 VanDerWaalsContact O-N 3.11Å; V718-I722 HydrophobicContact CG1-CD1 3.84Å; V718-I722 HydrophobicContact CG1-CG1 4.35Å; V718-I722 PolarHBondContact O-N 3.37Å; V718-F758 HydrophobicContact CB-CZ 4.26Å; V718-F758 HydrophobicContact CG1-CE1 3.96Å; V718-F758 HydrophobicContact CG1-CZ 4.14Å; V718-L781 HydrophobicContact CG1-CD1 4.48Å; V718-L781 HydrophobicContact CG2-CB 4.48Å; V718-L781 HydrophobicContact CG2-CD1 4.22Å; V718-L781 HydrophobicContact CG2-CD2 4.09Å; V718-L790 HydrophobicContact CG1-CD2 3.87Å
719	R	94.7	Very high	85.3	Confident	26 Å²	26	50.2 Å²	50.2	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-40	176.6	176.6	172.5	-71.8	-84.4	8.3	112.6	L715 T717 I721 I722 T723 W756 F758 E776	L715-R719 WeakPolarHBondContact O-CB 3.44Å; L715-R719 PolarHBondContact O-N 3.35Å; T717-R719 PolarHBondContact O-N 3.44Å; R719-I721 VanDerWaalsContact C-N 3.31Å; R719-I721 PolarHBondContact O-N 3.34Å; R719-I722 PolarHBondContact O-N 2.97Å; R719-T723 WeakPolarHBondContact O-CB 3.29Å; R719-T723 PolarHBondContact O-N 3.26Å; R719-T723 PolarHBondContact O-OG1 3.43Å; R719-W756 HydrophobicContact CB-CH2 3.95Å; R719-W756 HydrophobicContact CB-CZ2 4.34Å; R719-W756 HydrophobicContact CG-CH2 3.77Å; R719-W756 HydrophobicContact CG-CZ2 3.74Å; R719-W756 VanDerWaalsContact NH1-CD2 3.27Å; R719-W756 VanDerWaalsContact NH1-CZ2 3.34Å; R719-W756 PolarHBondContact NH1-O 2.84Å; R719-W756 PolarHBondContact NH2-O 3.47Å; R719-F758 HydrophobicContact CB-CE2 4.02Å; R719-F758 HydrophobicContact CB-CZ 3.94Å; R719-E776 WeakPolarHBondContact CD-OE2 3.3Å; R719-E776 IonicContact CZ-OE1 3.5Å; R719-E776 VanDerWaalsContact CZ-OE1 3.28Å; R719-E776 IonicContact CZ-OE2 3.65Å; R719-E776 VanDerWaalsContact NE-CD 3.33Å; R719-E776 IonicContact NE-OE1 3.46Å; R719-E776 PolarHBondContact NE-OE1 3.31Å; R719-E776 VanDerWaalsContact NE-OE1 3.09Å; R719-E776 IonicContact NE-OE2 3.74Å; R719-E776 PolarHBondContact NE-OE2 3.29Å; R719-E776 IonicContact NH2-OE1 2.68Å; R719-E776 PolarHBondContact NH2-OE1 3.47Å; R719-E776 IonicContact NH2-OE2 2.69Å
720	K	92.6	Very high	84.1	Confident	120 Å²	120	53 Å²	53	52%	0.522	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-40.2	178.1	-60.8	159.8	-160.6	131.7	0	110.9	S716 T717 V718 Q724	S716-K720 WeakPolarHBondContact O-CE 3.47Å; S716-K720 WeakPolarHBondContact O-CG 3.43Å; S716-K720 PolarHBondContact O-NZ 3.23Å; S716-K720 VanDerWaalsContact O-NZ 3.09Å; S716-K720 PolarHBondContact OG-NZ 3.12Å; T717-K720 WeakPolarHBondContact O-CB 3.35Å; T717-K720 PolarHBondContact O-N 2.94Å; T717-K720 VanDerWaalsContact O-N 3.14Å; T717-K720 PolarHBondContact OG1-NZ 2.86Å; T717-K720 VanDerWaalsContact OG1-NZ 3.09Å; V718-K720 VanDerWaalsContact C-N 3.3Å; V718-K720 PolarHBondContact O-N 3.41Å; K720-Q724 WeakPolarHBondContact O-CB 3.17Å; K720-Q724 PolarHBondContact O-N 2.83Å
721	I	92	Very high	82.8	Confident	55 Å²	55	54.5 Å²	54.5	28%	0.282	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-43.7	177.4	-54.7	170.2	0	0	0	110.7	I707 A709 T717 V718 R719 Q724 L725	I707-I721 HydrophobicContact CB-CG2 4.01Å; I707-I721 HydrophobicContact CG2-CG2 3.87Å; A709-I721 HydrophobicContact CB-CD1 4.08Å; T717-I721 PolarHBondContact O-N 3.23Å; V718-I721 WeakPolarHBondContact O-CB 3.37Å; V718-I721 PolarHBondContact O-N 2.9Å; V718-I721 VanDerWaalsContact O-N 3.11Å; R719-I721 VanDerWaalsContact C-N 3.31Å; R719-I721 PolarHBondContact O-N 3.34Å; I721-Q724 PolarHBondContact O-N 3.26Å; I721-L725 WeakPolarHBondContact O-CB 3.44Å; I721-L725 PolarHBondContact O-N 3.29Å
722	I	93	Very high	82	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-40.9	177.6	-65.7	172.9	0	0	0	111.6	V679 I707 V718 R719 L725 N726 L752 W756 F758 L790 L792	V679-I722 HydrophobicContact CG1-CD1 4.2Å; V679-I722 HydrophobicContact CG2-CD1 4.39Å; V679-I722 HydrophobicContact CG2-CG1 4.38Å; I707-I722 HydrophobicContact CD1-CD1 4.32Å; I707-I722 HydrophobicContact CD1-CG1 4.18Å; I707-I722 HydrophobicContact CG2-CG1 3.92Å; V718-I722 HydrophobicContact CG1-CD1 3.84Å; V718-I722 HydrophobicContact CG1-CG1 4.35Å; V718-I722 PolarHBondContact O-N 3.37Å; R719-I722 PolarHBondContact O-N 2.97Å; I722-L725 PolarHBondContact O-N 3.28Å; I722-N726 PolarHBondContact O-N 3.12Å; I722-L752 HydrophobicContact CG2-CD1 3.71Å; I722-W756 HydrophobicContact CB-CH2 4.05Å; I722-W756 HydrophobicContact CB-CZ2 3.8Å; I722-W756 HydrophobicContact CD1-CH2 3.96Å; I722-W756 HydrophobicContact CG2-CH2 3.94Å; I722-W756 HydrophobicContact CG2-CZ2 3.46Å; I722-W756 VanDerWaalsContact CG2-CZ2 3.46Å; I722-F758 HydrophobicContact CD1-CE1 3.78Å; I722-F758 HydrophobicContact CD1-CZ 4.34Å; I722-L790 HydrophobicContact CD1-CD2 3.95Å; I722-L792 HydrophobicContact CD1-CD1 4.37Å; I722-L792 HydrophobicContact CD1-CD2 4.26Å; I722-L792 HydrophobicContact CG2-CD1 4Å
723	T	91.5	Very high	80.6	Confident	59 Å²	59	55.8 Å²	55.8	36%	0.362	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-44.2	173.3	-68.2	0	0	0	0	110.8	R719 L725 N726 E727	R719-T723 WeakPolarHBondContact O-CB 3.29Å; R719-T723 PolarHBondContact O-N 3.26Å; R719-T723 PolarHBondContact O-OG1 3.43Å; T723-L725 PolarHBondContact O-N 2.88Å; T723-N726 WeakPolarHBondContact O-CB 3.27Å; T723-N726 PolarHBondContact O-N 2.93Å; T723-E727 HydrophobicContact CG2-CG 4.46Å; T723-E727 WeakPolarHBondContact O-CG 3.44Å; T723-E727 PolarHBondContact O-N 3.15Å
724	Q	87.4	Confident	78.6	Confident	119 Å²	119	61.8 Å²	61.8	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-61.8	-43.6	175.6	-176.3	175.7	-12.6	0	0	112.2	K720 I721 N726 E727 D728	K720-Q724 WeakPolarHBondContact O-CB 3.17Å; K720-Q724 PolarHBondContact O-N 2.83Å; I721-Q724 PolarHBondContact O-N 3.26Å; Q724-N726 PolarHBondContact O-N 3.05Å; Q724-E727 PolarHBondContact O-N 2.92Å; Q724-E727 VanDerWaalsContact O-N 3.15Å; Q724-D728 WeakPolarHBondContact CG-OD2 3.22Å; Q724-D728 PolarHBondContact NE2-OD2 3.33Å; Q724-D728 WeakPolarHBondContact O-CB 3.32Å; Q724-D728 PolarHBondContact O-N 2.95Å
725	L	86.2	Confident	76.1	Confident	45 Å²	45	69.4 Å²	69.4	24%	0.236	34%	0.341	C	S	.	.	H	α-helix	trans	-57.5	-36.3	174.8	177.6	64.3	0	0	0	112.4	I707 I721 I722 T723 T729	I707-L725 HydrophobicContact CG2-CD2 3.9Å; I721-L725 WeakPolarHBondContact O-CB 3.44Å; I721-L725 PolarHBondContact O-N 3.29Å; I722-L725 PolarHBondContact O-N 3.28Å; T723-L725 PolarHBondContact O-N 2.88Å; L725-T729 PolarHBondContact O-N 3.22Å; L725-T729 PolarHBondContact O-OG1 3.29Å
726	N	87.3	Confident	73.3	Confident	14 Å²	14	74.4 Å²	74.4	8%	0.075	37%	0.368	C	S	.	.	H	α-helix	trans	-69.9	-45	174.7	-170.2	80.8	0	0	0	112	I722 T723 Q724 T729 H751 L752	I722-N726 PolarHBondContact O-N 3.12Å; T723-N726 WeakPolarHBondContact O-CB 3.27Å; T723-N726 PolarHBondContact O-N 2.93Å; Q724-N726 PolarHBondContact O-N 3.05Å; N726-T729 WeakPolarHBondContact O-CB 3.42Å; N726-T729 PolarHBondContact O-N 3.09Å; N726-H751 PolarHBondContact ND2-NE2 3.2Å; N726-H751 VanDerWaalsContact ND2-NE2 3.19Å; N726-L752 PolarHBondContact OD1-N 3.09Å
727	E	82.9	Confident	70.6	Confident	98 Å²	98	81 Å²	81	46%	0.458	40%	0.395	S	S	.	.	H	α-helix	trans	-65.8	-43.7	178.5	-68.5	-61.7	130	0	0	113.2	T723 Q724 T729 I730 Q731	T723-E727 HydrophobicContact CG2-CG 4.46Å; T723-E727 WeakPolarHBondContact O-CG 3.44Å; T723-E727 PolarHBondContact O-N 3.15Å; Q724-E727 PolarHBondContact O-N 2.92Å; Q724-E727 VanDerWaalsContact O-N 3.15Å; E727-T729 PolarHBondContact O-N 3.29Å; E727-I730 WeakPolarHBondContact O-CB 3.09Å; E727-I730 PolarHBondContact O-N 2.68Å; E727-Q731 PolarHBondContact O-N 2.94Å
728	D	75.7	Confident	67.7	Low	82 Å²	82	86.6 Å²	86.6	44%	0.439	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-32.4	177.4	-71.4	-20.2	0	0	0	110.7	Q724 I730 Q731	Q724-D728 WeakPolarHBondContact CG-OD2 3.22Å; Q724-D728 PolarHBondContact NE2-OD2 3.33Å; Q724-D728 WeakPolarHBondContact O-CB 3.32Å; Q724-D728 PolarHBondContact O-N 2.95Å; D728-I730 VanDerWaalsContact C-N 3.29Å; D728-I730 PolarHBondContact O-N 3.36Å; D728-Q731 PolarHBondContact O-N 3.47Å
729	T	63.1	Low	64.8	Low	36 Å²	36	90 Å²	90	22%	0.221	45%	0.446	C	S	.	.	H	α-helix	trans	-68.1	-23.5	175.5	-59.3	0	0	0	0	113.3	L725 N726 E727 R749	L725-T729 PolarHBondContact O-N 3.22Å; L725-T729 PolarHBondContact O-OG1 3.29Å; N726-T729 WeakPolarHBondContact O-CB 3.42Å; N726-T729 PolarHBondContact O-N 3.09Å; E727-T729 PolarHBondContact O-N 3.29Å; T729-R749 HydrophobicContact CG2-CB 4.3Å; T729-R749 HydrophobicContact CG2-CG 4.27Å
730	I	58.2	Low	61.9	Low	62 Å²	62	98.8 Å²	98.8	32%	0.318	49%	0.489	S	S	.	.	H	α-helix	trans	-75.8	-40.2	176.6	-57.6	171.1	0	0	0	110.8	E727 D728 D732 H733 L734	E727-I730 WeakPolarHBondContact O-CB 3.09Å; E727-I730 PolarHBondContact O-N 2.68Å; D728-I730 VanDerWaalsContact C-N 3.29Å; D728-I730 PolarHBondContact O-N 3.36Å; I730-D732 VanDerWaalsContact C-N 3.31Å; I730-D732 PolarHBondContact O-N 2.9Å; I730-H733 PolarHBondContact O-N 3.13Å; I730-H733 VanDerWaalsContact O-N 3.16Å; I730-L734 PolarHBondContact O-N 2.94Å
731	Q	49.2	Very low	59	Low	120 Å²	120	97.4 Å²	97.4	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-65.4	-35.3	-176.9	-61	-168.9	29	0	0	112.4	E727 D728 H733 L734 Y735	E727-Q731 PolarHBondContact O-N 2.94Å; D728-Q731 PolarHBondContact O-N 3.47Å; Q731-H733 PolarHBondContact O-N 3.34Å; Q731-L734 PolarHBondContact O-N 3.41Å; Q731-Y735 PolarHBondContact O-N 3.09Å
732	D	51.5	Low	55.9	Low	79 Å²	79	102.5 Å²	102.5	42%	0.422	52%	0.518	S	S	.	.	H	α-helix	trans	-54.2	-35.1	173.4	-118	14.2	0	0	0	113	I730 N736 R749	I730-D732 VanDerWaalsContact C-N 3.31Å; I730-D732 PolarHBondContact O-N 2.9Å; D732-N736 PolarHBondContact O-ND2 2.68Å; D732-R749 IonicContact OD2-CZ 3.19Å; D732-R749 IonicContact OD2-NH1 2.89Å; D732-R749 PolarHBondContact OD2-NH1 3.37Å; D732-R749 IonicContact OD2-NH2 3.96Å; D732-R749 PolarHBondContact OD2-NH2 3.07Å
733	H	42.7	Very low	53.1	Low	118 Å²	118	110.7 Å²	110.7	55%	0.546	56%	0.557	S	S	.	*	H	α-helix	trans	-78.6	-40.3	177.5	-88.3	-83.7	0	0	0	112.4	I730 Q731 Y735 N736	I730-H733 PolarHBondContact O-N 3.13Å; I730-H733 VanDerWaalsContact O-N 3.16Å; Q731-H733 PolarHBondContact O-N 3.34Å; H733-Y735 PolarHBondContact O-N 3.38Å; H733-N736 PolarHBondContact O-N 3.43Å; H733-N736 VanDerWaalsContact O-N 3.13Å
734	L	42.7	Very low	50.3	Low	140 Å²	140	114.1 Å²	114.1	73%	0.733	58%	0.578	S	S	*	*	H	α-helix	trans	-65.3	-22.4	-175.3	-131.8	77.7	0	0	0	113.8	I730 Q731	I730-L734 PolarHBondContact O-N 2.94Å; Q731-L734 PolarHBondContact O-N 3.41Å
735	Y	38.3	Very low	47.5	Very low	198 Å²	198	114.8 Å²	114.8	78%	0.776	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-8.6	177	-83.5	-78.8	0	0	0	114.8	Q731 H733	Q731-Y735 PolarHBondContact O-N 3.09Å; H733-Y735 PolarHBondContact O-N 3.38Å
736	N	33.5	Very low	44.8	Very low	104 Å²	104	120.5 Å²	120.5	56%	0.556	62%	0.615	S	S	*	*			trans	-108.4	2.2	-169.5	-84.8	-57.3	0	0	0	116.1	D732 H733 N738 S739	D732-N736 PolarHBondContact O-ND2 2.68Å; H733-N736 PolarHBondContact O-N 3.43Å; H733-N736 VanDerWaalsContact O-N 3.13Å; N736-N738 PolarHBondContact O-N 3.18Å; N736-S739 PolarHBondContact O-N 3.01Å
737	E	34	Very low	42.4	Very low	177 Å²	177	127.6 Å²	127.6	83%	0.827	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-2.7	178.4	-68.3	-161.3	137.8	0	0	115.3
738	N	32	Very low	40.5	Very low	164 Å²	164	130.7 Å²	130.7	88%	0.877	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	19.9	-178.4	-71.6	-72.5	0	0	0	114.6	N736	N736-N738 PolarHBondContact O-N 3.18Å
739	S	32.8	Very low	39.5	Very low	71 Å²	71	132.8 Å²	132.8	50%	0.497	66%	0.659	S	S	.	*			trans	-115.7	96	176	-174.7	0	0	0	0	112.6	N736 S741	N736-S739 PolarHBondContact O-N 3.01Å; S739-S741 VanDerWaalsContact C-N 3.25Å; S739-S741 PolarHBondContact O-N 3.35Å; S739-S741 PolarHBondContact OG-OG 3.21Å
740	E	32.3	Very low	39.9	Very low	212 Å²	212	132.3 Å²	132.3	99%	0.991	66%	0.657	S	S	*	*			trans	-71.3	77.5	167.7	-68.4	-173.6	141.5	0	0	110.9
741	S	33.6	Very low	41.1	Very low	90 Å²	90	134.7 Å²	134.7	63%	0.629	67%	0.666	S	S	*	*			trans	-123	116.5	176.3	52.7	0	0	0	0	110.8	S739	S739-S741 VanDerWaalsContact C-N 3.25Å; S739-S741 PolarHBondContact O-N 3.35Å; S739-S741 PolarHBondContact OG-OG 3.21Å
742	M	26.1	Very low	42.9	Very low	162 Å²	162	129.2 Å²	129.2	80%	0.798	64%	0.641	S	S	*	*			trans	-61.5	137.8	-171.5	-71.4	162.5	56.8	0	0	114.3	T744	M742-T744 PolarHBondContact O-N 3.16Å
743	E	33.3	Very low	44.6	Very low	174 Å²	174	126.1 Å²	126.1	81%	0.813	63%	0.625	S	S	*	*	S	Bend	trans	29.9	82.2	139.5	-57.4	-177.5	133.1	0	0	117.7
744	T	32.5	Very low	46.6	Very low	132 Å²	132	127.9 Å²	127.9	81%	0.81	64%	0.639	S	S	*	*			trans	-175	71.6	144.6	18.5	0	0	0	0	112.2	M742	M742-T744 PolarHBondContact O-N 3.16Å
745	N	29.8	Very low	48.6	Very low	132 Å²	132	124.3 Å²	124.3	71%	0.706	63%	0.625	S	S	*	*			trans	-172.4	86.6	154.9	-110.1	-71.9	0	0	0	111.1	K747	N745-K747 PolarHBondContact O-N 2.94Å
746	L	30.3	Very low	51.3	Low	166 Å²	166	115.2 Å²	115.2	87%	0.869	59%	0.59	S	S	*	*			trans	-77.4	53.9	171	-80.2	169.7	0	0	0	111.8	F748	L746-F748 PolarHBondContact O-N 2.82Å; L746-F748 VanDerWaalsContact O-N 3.07Å
747	K	36.7	Very low	54.1	Low	163 Å²	163	111.9 Å²	111.9	71%	0.709	57%	0.573	S	S	*	*			trans	-74.1	92.7	163.9	-76.6	-176.7	179.2	175.4	0	108.2	N745 R749	N745-K747 PolarHBondContact O-N 2.94Å; K747-R749 PolarHBondContact O-N 3.24Å
748	F	41.6	Very low	57	Low	162 Å²	162	103.5 Å²	103.5	71%	0.711	53%	0.534	S	S	*	.			trans	-60.7	87.1	162.3	-92.4	-95.3	0	0	0	108.8	L746 V750	L746-F748 PolarHBondContact O-N 2.82Å; L746-F748 VanDerWaalsContact O-N 3.07Å; F748-V750 PolarHBondContact O-N 3.23Å; F748-V750 VanDerWaalsContact O-N 3.16Å
749	R	55.7	Low	59.8	Low	126 Å²	126	95.7 Å²	95.7	48%	0.475	49%	0.492	S	S	.	.			trans	-69.7	105.2	169.6	-86.7	176.8	153.6	178.7	-5.3	107.8	T729 D732 K747 H751	T729-R749 HydrophobicContact CG2-CB 4.3Å; T729-R749 HydrophobicContact CG2-CG 4.27Å; D732-R749 IonicContact OD2-CZ 3.19Å; D732-R749 IonicContact OD2-NH1 2.89Å; D732-R749 PolarHBondContact OD2-NH1 3.37Å; D732-R749 IonicContact OD2-NH2 3.96Å; D732-R749 PolarHBondContact OD2-NH2 3.07Å; K747-R749 PolarHBondContact O-N 3.24Å; R749-H751 PolarHBondContact O-N 3.45Å
750	V	71.9	Confident	62.3	Low	27 Å²	27	92.9 Å²	92.9	16%	0.164	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-79	120.4	-177.9	178.7	0	0	0	0	109.9	V681 I702 F748 L797	V681-V750 HydrophobicContact CG1-CB 4.49Å; V681-V750 HydrophobicContact CG1-CG1 3.83Å; I702-V750 HydrophobicContact CB-CG2 4.35Å; I702-V750 HydrophobicContact CD1-CG2 4.21Å; I702-V750 HydrophobicContact CG2-CG2 3.7Å; F748-V750 PolarHBondContact O-N 3.23Å; F748-V750 VanDerWaalsContact O-N 3.16Å; V750-L797 HydrophobicContact CG1-CD1 3.64Å; V750-L797 HydrophobicContact CG1-CD2 4.11Å; V750-L797 HydrophobicContact CG1-CG 4.21Å
751	H	82.5	Confident	64.6	Low	112 Å²	112	83.5 Å²	83.5	52%	0.519	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-86.6	129.9	174.9	-177.9	-75.6	0	0	0	110.9	N726 R749	N726-H751 PolarHBondContact ND2-NE2 3.2Å; N726-H751 VanDerWaalsContact ND2-NE2 3.19Å; R749-H751 PolarHBondContact O-N 3.45Å
752	L	87.2	Confident	66.3	Low	5 Å²	5	80.4 Å²	80.4	3%	0.026	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-85.6	147.3	178	-76	174.5	0	0	0	112.8	V681 I704 I722 N726 W756 L792 D794	V681-L752 HydrophobicContact CB-CD2 4.05Å; V681-L752 HydrophobicContact CG2-CD2 3.77Å; I704-L752 HydrophobicContact CD1-CD1 3.77Å; I704-L752 HydrophobicContact CD1-CD2 3.97Å; I704-L752 HydrophobicContact CD1-CG 3.99Å; I722-L752 HydrophobicContact CG2-CD1 3.71Å; N726-L752 PolarHBondContact OD1-N 3.09Å; L752-W756 HydrophobicContact CB-CG 4.43Å; L752-W756 HydrophobicContact CD1-CG 4.39Å; L752-W756 HydrophobicContact CD2-CB 4.15Å; L752-W756 HydrophobicContact CD2-CG 4.22Å; L752-L792 HydrophobicContact CD1-CD1 3.77Å; L752-L792 HydrophobicContact CD2-CD1 4.26Å; L752-D794 WeakPolarHBondContact CA-OD2 3.37Å; L752-D794 HydrophobicContact CD2-CB 4.44Å
753	S	87	Confident	68.2	Low	14 Å²	14	77.4 Å²	77.4	10%	0.098	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-98.3	154	178.3	74.4	0	0	0	0	113.2	S755 W756 D794 I796	S753-S755 PolarHBondContact O-N 2.87Å; S753-S755 PolarHBondContact OG-OG 3.1Å; S753-W756 PolarHBondContact O-N 3.24Å; S753-D794 PolarHBondContact N-OD2 3.24Å; S753-D794 PolarHBondContact OG-OD1 2.77Å; S753-D794 PolarHBondContact OG-OD2 3.07Å; S753-D794 VanDerWaalsContact OG-OD2 3.08Å; S753-I796 VanDerWaalsContact CB-CD1 3.43Å
754	D	85	Confident	69.2	Low	155 Å²	155	70.2 Å²	70.2	83%	0.829	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.3	177	-67.5	-46.6	0	0	0	114.8	K773	D754-K773 PolarHBondContact O-NZ 2.74Å; D754-K773 VanDerWaalsContact O-NZ 3.1Å
755	S	85.3	Confident	70.4	Confident	65 Å²	65	69.1 Å²	69.1	46%	0.455	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.2	175.7	26.1	0	0	0	0	115.6	S753 S795	S753-S755 PolarHBondContact O-N 2.87Å; S753-S755 PolarHBondContact OG-OG 3.1Å; S755-S795 PolarHBondContact OG-OG 2.89Å
756	W	93.5	Very high	71.8	Confident	7 Å²	7	67 Å²	67	3%	0.027	37%	0.367	C	S	.	.			trans	-64.9	142.1	-178.4	75.1	-107.5	0	0	0	112.7	R719 I722 L752 S753 F758 L792 I793 D794	R719-W756 HydrophobicContact CB-CH2 3.95Å; R719-W756 HydrophobicContact CB-CZ2 4.34Å; R719-W756 HydrophobicContact CG-CH2 3.77Å; R719-W756 HydrophobicContact CG-CZ2 3.74Å; R719-W756 VanDerWaalsContact NH1-CD2 3.27Å; R719-W756 VanDerWaalsContact NH1-CZ2 3.34Å; R719-W756 PolarHBondContact NH1-O 2.84Å; R719-W756 PolarHBondContact NH2-O 3.47Å; I722-W756 HydrophobicContact CB-CH2 4.05Å; I722-W756 HydrophobicContact CB-CZ2 3.8Å; I722-W756 HydrophobicContact CD1-CH2 3.96Å; I722-W756 HydrophobicContact CG2-CH2 3.94Å; I722-W756 HydrophobicContact CG2-CZ2 3.46Å; I722-W756 VanDerWaalsContact CG2-CZ2 3.46Å; L752-W756 HydrophobicContact CB-CG 4.43Å; L752-W756 HydrophobicContact CD1-CG 4.39Å; L752-W756 HydrophobicContact CD2-CB 4.15Å; L752-W756 HydrophobicContact CD2-CG 4.22Å; S753-W756 PolarHBondContact O-N 3.24Å; W756-F758 AromaticContact CH2-CE1 3.87Å; W756-F758 HydrophobicContact CH2-CE1 3.87Å; W756-F758 AromaticContact CH2-CE2 3.91Å; W756-F758 HydrophobicContact CH2-CE2 3.91Å; W756-F758 AromaticContact CH2-CZ 3.52Å; W756-F758 HydrophobicContact CH2-CZ 3.52Å; W756-F758 AromaticContact CZ3-CD1 3.93Å; W756-F758 HydrophobicContact CZ3-CD1 3.93Å; W756-F758 AromaticContact CZ3-CD2 3.94Å; W756-F758 HydrophobicContact CZ3-CD2 3.94Å; W756-F758 AromaticContact CZ3-CE1 3.69Å; W756-F758 HydrophobicContact CZ3-CE1 3.69Å; W756-F758 AromaticContact CZ3-CE2 3.71Å; W756-F758 HydrophobicContact CZ3-CE2 3.71Å; W756-F758 HydrophobicContact CZ3-CG 4.06Å; W756-F758 AromaticContact CZ3-CZ 3.59Å; W756-F758 HydrophobicContact CZ3-CZ 3.59Å; W756-L792 HydrophobicContact CD2-CD1 4.17Å; W756-L792 HydrophobicContact CE3-CB 4.45Å; W756-L792 HydrophobicContact CE3-CD1 3.93Å; W756-L792 HydrophobicContact CE3-CD2 3.79Å; W756-L792 HydrophobicContact CE3-CG 4.28Å; W756-L792 HydrophobicContact CH2-CD2 4.39Å; W756-L792 HydrophobicContact CZ3-CD1 4.16Å; W756-L792 HydrophobicContact CZ3-CD2 3.57Å; W756-L792 HydrophobicContact CZ3-CG 4.44Å; W756-I793 WeakPolarHBondContact CA-O 3.39Å; W756-I793 WeakPolarHBondContact CB-O 3.45Å; W756-D794 HydrophobicContact CB-CB 4.49Å
757	V	93.7	Very high	73.8	Confident	34 Å²	34	62.7 Å²	62.7	21%	0.206	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.4	180	-64.8	0	0	0	0	112	L792 I793	V757-L792 CarbonylContact O-C 3.56Å; V757-L792 WeakPolarHBondContact O-CA 3.48Å; V757-I793 HydrophobicContact CG2-CB 3.99Å; V757-I793 HydrophobicContact CG2-CD1 4.47Å; V757-I793 PolarHBondContact N-O 3.42Å; V757-I793 PolarHBondContact O-N 3.24Å
758	F	94.8	Very high	75.9	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	153.3	175.4	-64.9	-80.6	0	0	0	112.2	L715 V718 R719 I722 W756 I771 E776 L790 L792	L715-F758 HydrophobicContact CB-CD2 4.09Å; L715-F758 HydrophobicContact CB-CE2 3.77Å; L715-F758 HydrophobicContact CB-CZ 4.1Å; L715-F758 HydrophobicContact CD1-CB 4.17Å; L715-F758 HydrophobicContact CD1-CD1 4.47Å; L715-F758 HydrophobicContact CD1-CD2 4Å; L715-F758 HydrophobicContact CD1-CE2 4.48Å; L715-F758 HydrophobicContact CD1-CG 3.99Å; L715-F758 HydrophobicContact CD2-CD1 4.44Å; L715-F758 HydrophobicContact CD2-CE1 4.31Å; L715-F758 HydrophobicContact CD2-CZ 4.46Å; L715-F758 WeakPolarHBondContact O-CE2 3.41Å; L715-F758 WeakPolarHBondContact O-CZ 3.47Å; V718-F758 HydrophobicContact CB-CZ 4.26Å; V718-F758 HydrophobicContact CG1-CE1 3.96Å; V718-F758 HydrophobicContact CG1-CZ 4.14Å; R719-F758 HydrophobicContact CB-CE2 4.02Å; R719-F758 HydrophobicContact CB-CZ 3.94Å; I722-F758 HydrophobicContact CD1-CE1 3.78Å; I722-F758 HydrophobicContact CD1-CZ 4.34Å; W756-F758 AromaticContact CH2-CE1 3.87Å; W756-F758 HydrophobicContact CH2-CE1 3.87Å; W756-F758 AromaticContact CH2-CE2 3.91Å; W756-F758 HydrophobicContact CH2-CE2 3.91Å; W756-F758 AromaticContact CH2-CZ 3.52Å; W756-F758 HydrophobicContact CH2-CZ 3.52Å; W756-F758 AromaticContact CZ3-CD1 3.93Å; W756-F758 HydrophobicContact CZ3-CD1 3.93Å; W756-F758 AromaticContact CZ3-CD2 3.94Å; W756-F758 HydrophobicContact CZ3-CD2 3.94Å; W756-F758 AromaticContact CZ3-CE1 3.69Å; W756-F758 HydrophobicContact CZ3-CE1 3.69Å; W756-F758 AromaticContact CZ3-CE2 3.71Å; W756-F758 HydrophobicContact CZ3-CE2 3.71Å; W756-F758 HydrophobicContact CZ3-CG 4.06Å; W756-F758 AromaticContact CZ3-CZ 3.59Å; W756-F758 HydrophobicContact CZ3-CZ 3.59Å; F758-I771 HydrophobicContact CB-CB 4.25Å; F758-I771 HydrophobicContact CB-CD1 3.95Å; F758-I771 HydrophobicContact CB-CG1 4.44Å; F758-I771 PolarHBondContact O-N 3.33Å; F758-E776 HydrophobicContact CD2-CG 3.99Å; F758-E776 HydrophobicContact CE2-CG 4.11Å; F758-L790 HydrophobicContact CD1-CD1 4.21Å; F758-L790 HydrophobicContact CD1-CD2 4.37Å; F758-L790 HydrophobicContact CE1-CD2 4.1Å; F758-L792 HydrophobicContact CD1-CD2 3.51Å; F758-L792 HydrophobicContact CE1-CD2 3.93Å; F758-L792 HydrophobicContact CG-CD2 4.29Å
759	I	90.5	Very high	77.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.4	169.3	-54.2	-175.2	0	0	0	109.7	I682 Y687 F768 F769 F791 I793	I682-I759 HydrophobicContact CD1-CD1 3.9Å; Y687-I759 HydrophobicContact CD2-CD1 4.3Å; I759-F768 HydrophobicContact CD1-CD2 4.18Å; I759-F768 HydrophobicContact CG2-CB 3.59Å; I759-F768 HydrophobicContact CG2-CD1 4.44Å; I759-F768 HydrophobicContact CG2-CD2 3.62Å; I759-F768 HydrophobicContact CG2-CE2 4.33Å; I759-F768 HydrophobicContact CG2-CG 3.66Å; I759-F769 CarbonylContact C-O 3.49Å; I759-F769 WeakPolarHBondContact CA-O 3.33Å; I759-F769 WeakPolarHBondContact CG2-O 3.46Å; I759-F791 HydrophobicContact CB-CB 4.01Å; I759-F791 WeakPolarHBondContact CB-O 3.44Å; I759-F791 HydrophobicContact CD1-CB 3.85Å; I759-F791 HydrophobicContact CG1-CB 4.22Å; I759-F791 PolarHBondContact N-O 3.41Å; I759-I793 HydrophobicContact CD1-CD1 3.99Å; I759-I793 HydrophobicContact CD1-CG1 3.39Å; I759-I793 HydrophobicContact CG1-CD1 3.93Å; I759-I793 HydrophobicContact CG1-CG1 3.5Å; I759-I793 VanDerWaalsContact CG1-CG1 3.5Å
760	D	86	Confident	79.5	Confident	12 Å²	12	49.9 Å²	49.9	6%	0.064	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.4	158.6	178.5	-14.5	0	0	0	109.3	T762 T763 F769 I771 V784	D760-T762 PolarHBondContact OD1-N 3.5Å; D760-T762 PolarHBondContact OD1-OG1 2.97Å; D760-T763 PolarHBondContact OD1-N 2.97Å; D760-T763 PolarHBondContact OD1-OG1 3.17Å; D760-T763 WeakPolarHBondContact OD2-CB 3.47Å; D760-T763 PolarHBondContact OD2-OG1 2.86Å; D760-F769 HydrophobicContact CB-CB 4.29Å; D760-F769 PolarHBondContact N-O 3.25Å; D760-F769 PolarHBondContact O-N 3.39Å; D760-I771 HydrophobicContact CB-CD1 4.2Å; D760-I771 HydrophobicContact CB-CG1 4.23Å; D760-V784 HydrophobicContact CB-CB 4.33Å; D760-V784 HydrophobicContact CB-CG1 4.43Å
761	S	79.3	Confident	80.3	Confident	15 Å²	15	48.8 Å²	48.8	11%	0.105	28%	0.278	C	S	.	.			trans	-108.8	4.9	-178.4	66.8	0	0	0	0	113.8	V784	S761-V784 PolarHBondContact N-O 3.26Å; S761-V784 PolarHBondContact OG-O 3.38Å
762	T	70.6	Confident	80.5	Confident	25 Å²	25	48.2 Å²	48.2	15%	0.153	28%	0.279	C	S	.	.	S	Bend	trans	-124.3	-31.4	-166.1	28.7	0	0	0	0	114.1	D760 A764 D783 V784 C785	D760-T762 PolarHBondContact OD1-N 3.5Å; D760-T762 PolarHBondContact OD1-OG1 2.97Å; T762-A764 PolarHBondContact O-N 3.01Å; T762-D783 VanDerWaalsContact OG1-C 3.29Å; T762-D783 PolarHBondContact OG1-O 3.23Å; T762-V784 WeakPolarHBondContact OG1-CA 3.48Å; T762-V784 PolarHBondContact OG1-N 2.94Å; T762-V784 PolarHBondContact OG1-O 3.38Å; T762-C785 PolarHBondContact OG1-N 2.89Å
763	T	66	Low	80.6	Confident	100 Å²	100	53.5 Å²	53.5	61%	0.613	30%	0.301	S	S	*	.	S	Bend	trans	-67.7	-30	-177.8	-70.1	0	0	0	0	113.6	D760 F769	D760-T763 PolarHBondContact OD1-N 2.97Å; D760-T763 PolarHBondContact OD1-OG1 3.17Å; D760-T763 WeakPolarHBondContact OD2-CB 3.47Å; D760-T763 PolarHBondContact OD2-OG1 2.86Å; T763-F769 HydrophobicContact CG2-CE2 4.33Å
764	A	54.2	Low	80.6	Confident	22 Å²	22	61.3 Å²	61.3	18%	0.182	34%	0.336	C	S	.	.			trans	-135.4	120.2	171.3	0	0	0	0	0	112.5	T762 S766 R767 F769	T762-A764 PolarHBondContact O-N 3.01Å; A764-S766 PolarHBondContact O-N 2.69Å; A764-R767 PolarHBondContact O-N 3.5Å; A764-R767 VanDerWaalsContact O-O 3.1Å; A764-F769 HydrophobicContact CB-CE2 3.58Å; A764-F769 HydrophobicContact CB-CZ 4.15Å
765	A	56.6	Low	80.8	Confident	109 Å²	109	58 Å²	58	90%	0.901	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-11	176.1	0	0	0	0	0	114.6
766	S	60.5	Low	81.1	Confident	87 Å²	87	55.2 Å²	55.2	61%	0.608	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-7.9	-177.7	63.9	0	0	0	0	114.9	A764	A764-S766 PolarHBondContact O-N 2.69Å
767	R	71.8	Confident	80.8	Confident	77 Å²	77	59.9 Å²	59.9	29%	0.291	32%	0.321	S	S	.	.			trans	-158.4	136.4	-175.2	-165.8	-170.9	168.1	90.8	13.2	111.4	S691 D692 A764	S691-R767 VanDerWaalsContact CB-NH2 3.33Å; S691-R767 WeakPolarHBondContact O-CG 3.38Å; S691-R767 VanDerWaalsContact OG-CZ 3.29Å; S691-R767 PolarHBondContact OG-NH1 3.03Å; S691-R767 PolarHBondContact OG-NH2 2.83Å; D692-R767 WeakPolarHBondContact OD1-CD 3.34Å; D692-R767 IonicContact OD1-CZ 3.88Å; D692-R767 IonicContact OD1-NE 3.82Å; D692-R767 IonicContact OD1-NH1 3.04Å; D692-R767 PolarHBondContact OD1-NH1 2.77Å; D692-R767 IonicContact OD2-CZ 3.49Å; D692-R767 IonicContact OD2-NH1 4Å; D692-R767 PolarHBondContact OD2-NH1 2.81Å; A764-R767 PolarHBondContact O-N 3.5Å; A764-R767 VanDerWaalsContact O-O 3.1Å
768	F	80.6	Confident	80.4	Confident	1 Å²	1	62.8 Å²	62.8	0%	0.004	34%	0.339	C	S	.	.			trans	-81.9	139.8	169.6	-81.5	3.3	0	0	0	111.5	I682 Y687 S691 V694 L697 R698 I759 F791	I682-F768 HydrophobicContact CD1-CE2 4.31Å; Y687-F768 HydrophobicContact CE2-CB 3.9Å; Y687-F768 PolarHBondContact OH-O 2.77Å; S691-F768 PolarHBondContact O-N 3.29Å; V694-F768 HydrophobicContact CB-CD1 4.46Å; V694-F768 HydrophobicContact CB-CE1 4.36Å; V694-F768 HydrophobicContact CG1-CD1 3.96Å; V694-F768 HydrophobicContact CG1-CE1 3.41Å; V694-F768 VanDerWaalsContact CG1-CE1 3.41Å; V694-F768 HydrophobicContact CG1-CZ 3.83Å; V694-F768 HydrophobicContact CG2-CD1 3.79Å; V694-F768 HydrophobicContact CG2-CE1 4.14Å; V694-F768 HydrophobicContact CG2-CG 4.35Å; L697-F768 HydrophobicContact CD2-CB 4.07Å; L697-F768 HydrophobicContact CD2-CD2 3.47Å; L697-F768 VanDerWaalsContact CD2-CD2 3.47Å; L697-F768 HydrophobicContact CD2-CE2 4.25Å; L697-F768 HydrophobicContact CD2-CG 4.01Å; L697-F768 HydrophobicContact CG-CD2 4.13Å; L697-F768 HydrophobicContact CG-CE2 4.49Å; R698-F768 HydrophobicContact CG-CE2 4.17Å; R698-F768 HydrophobicContact CG-CZ 3.85Å; I759-F768 HydrophobicContact CD1-CD2 4.18Å; I759-F768 HydrophobicContact CG2-CB 3.59Å; I759-F768 HydrophobicContact CG2-CD1 4.44Å; I759-F768 HydrophobicContact CG2-CD2 3.62Å; I759-F768 HydrophobicContact CG2-CE2 4.33Å; I759-F768 HydrophobicContact CG2-CG 3.66Å; F768-F791 HydrophobicContact CE2-CD2 4.3Å; F768-F791 HydrophobicContact CE2-CG 4.2Å; F768-F791 HydrophobicContact CZ-CD2 4.14Å; F768-F791 HydrophobicContact CZ-CE2 4.37Å; F768-F791 HydrophobicContact CZ-CG 4.49Å
769	F	83.9	Confident	80	Confident	84 Å²	84	64.8 Å²	64.8	37%	0.368	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.9	175.2	-61.5	-74	0	0	0	111.7	I759 D760 T763 A764	I759-F769 CarbonylContact C-O 3.49Å; I759-F769 WeakPolarHBondContact CA-O 3.33Å; I759-F769 WeakPolarHBondContact CG2-O 3.46Å; D760-F769 HydrophobicContact CB-CB 4.29Å; D760-F769 PolarHBondContact N-O 3.25Å; D760-F769 PolarHBondContact O-N 3.39Å; T763-F769 HydrophobicContact CG2-CE2 4.33Å; A764-F769 HydrophobicContact CB-CE2 3.58Å; A764-F769 HydrophobicContact CB-CZ 4.15Å
770	R	88.9	Confident	79.7	Confident	96 Å²	96	69.1 Å²	69.1	36%	0.362	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	142.7	169.6	-56.4	-166.4	179	143.6	5.6	109.5	L684 Y687 D688 I793	L684-R770 VanDerWaalsContact CD1-CZ 3.49Å; Y687-R770 HydrophobicContact CE1-CG 4.09Å; Y687-R770 HydrophobicContact CE2-CG 4.32Å; Y687-R770 PolarHBondContact OH-N 2.85Å; D688-R770 IonicContact OD1-CZ 3.62Å; D688-R770 IonicContact OD1-NH1 3.97Å; D688-R770 IonicContact OD1-NH2 2.64Å; D688-R770 PolarHBondContact OD1-NH2 2.92Å; R770-I793 HydrophobicContact CG-CD1 3.65Å; R770-I793 VanDerWaalsContact NE-CD1 3.28Å
771	I	87.9	Confident	79.5	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.026	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-100.8	121.7	171.5	-55.1	174.5	0	0	0	107.5	L715 F758 D760 Q775 V784	L715-I771 HydrophobicContact CD1-CD1 3.57Å; F758-I771 HydrophobicContact CB-CB 4.25Å; F758-I771 HydrophobicContact CB-CD1 3.95Å; F758-I771 HydrophobicContact CB-CG1 4.44Å; F758-I771 PolarHBondContact O-N 3.33Å; D760-I771 HydrophobicContact CB-CD1 4.2Å; D760-I771 HydrophobicContact CB-CG1 4.23Å; I771-Q775 HydrophobicContact CG2-CB 4.29Å; I771-V784 HydrophobicContact CD1-CB 3.9Å; I771-V784 HydrophobicContact CD1-CG1 3.4Å
772	D	88.2	Confident	79.4	Confident	100 Å²	100	69.8 Å²	69.8	54%	0.535	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-66.4	140.7	175.5	-71.5	-43.5	0	0	0	110.2	E774 Q775	D772-E774 PolarHBondContact O-N 3.11Å; D772-Q775 HydrophobicContact CB-CG 4.33Å; D772-Q775 PolarHBondContact O-N 3.14Å
773	K	88.4	Confident	79.7	Confident	115 Å²	115	71.6 Å²	71.6	50%	0.5	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-58.7	-21.8	-175.7	-162.4	165	-171.1	167.6	0	113.4	D754 Q775	D754-K773 PolarHBondContact O-NZ 2.74Å; D754-K773 VanDerWaalsContact O-NZ 3.1Å; K773-Q775 VanDerWaalsContact C-N 3.32Å
774	E	87.9	Confident	80.4	Confident	179 Å²	179	66.8 Å²	66.8	84%	0.836	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-79.1	-9.4	175.9	-60.7	-179.3	179	0	0	113.8	D772 N777	D772-E774 PolarHBondContact O-N 3.11Å; E774-N777 PolarHBondContact O-OD1 3.15Å
775	Q	88.2	Confident	81.6	Confident	84 Å²	84	65.8 Å²	65.8	39%	0.393	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-110.1	2.4	-178.5	-56.7	-177.7	10.6	0	0	113.4	I771 D772 K773 N777 V778 H779	I771-Q775 HydrophobicContact CG2-CB 4.29Å; D772-Q775 HydrophobicContact CB-CG 4.33Å; D772-Q775 PolarHBondContact O-N 3.14Å; K773-Q775 VanDerWaalsContact C-N 3.32Å; Q775-N777 PolarHBondContact O-N 3Å; Q775-V778 HydrophobicContact CB-CG2 4.06Å; Q775-V778 WeakPolarHBondContact O-CG2 3.49Å; Q775-V778 PolarHBondContact O-N 3.38Å; Q775-V778 VanDerWaalsContact O-N 3.14Å; Q775-H779 PolarHBondContact O-N 3.18Å; Q775-H779 PolarHBondContact O-ND1 3.24Å; Q775-H779 PolarHBondContact OE1-CE1 2.97Å
776	E	91	Very high	82.1	Confident	7 Å²	7	62.5 Å²	62.5	3%	0.033	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.5	-177.7	-66.4	-179.8	-174.1	0	0	113.9	L715 S716 R719 F758	L715-E776 CarbonylContact C-O 3.52Å; L715-E776 WeakPolarHBondContact CA-O 3.25Å; L715-E776 HydrophobicContact CB-CB 3.96Å; L715-E776 HydrophobicContact CB-CG 4.32Å; L715-E776 WeakPolarHBondContact CB-O 3.29Å; L715-E776 PolarHBondContact N-O 3.12Å; S716-E776 PolarHBondContact N-O 3.15Å; R719-E776 WeakPolarHBondContact CD-OE2 3.3Å; R719-E776 IonicContact CZ-OE1 3.5Å; R719-E776 VanDerWaalsContact CZ-OE1 3.28Å; R719-E776 IonicContact CZ-OE2 3.65Å; R719-E776 VanDerWaalsContact NE-CD 3.33Å; R719-E776 IonicContact NE-OE1 3.46Å; R719-E776 PolarHBondContact NE-OE1 3.31Å; R719-E776 VanDerWaalsContact NE-OE1 3.09Å; R719-E776 IonicContact NE-OE2 3.74Å; R719-E776 PolarHBondContact NE-OE2 3.29Å; R719-E776 IonicContact NH2-OE1 2.68Å; R719-E776 PolarHBondContact NH2-OE1 3.47Å; R719-E776 IonicContact NH2-OE2 2.69Å; F758-E776 HydrophobicContact CD2-CG 3.99Å; F758-E776 HydrophobicContact CE2-CG 4.11Å
777	N	88.9	Confident	82.5	Confident	105 Å²	105	59.5 Å²	59.5	56%	0.561	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.5	175.9	66.4	-30.7	0	0	0	113.6	E774 Q775	E774-N777 PolarHBondContact O-OD1 3.15Å; Q775-N777 PolarHBondContact O-N 3Å
778	V	84.8	Confident	82.6	Confident	95 Å²	95	58.2 Å²	58.2	58%	0.576	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-7.5	177.1	-61.1	0	0	0	0	113.8	Q775	Q775-V778 HydrophobicContact CB-CG2 4.06Å; Q775-V778 WeakPolarHBondContact O-CG2 3.49Å; Q775-V778 PolarHBondContact O-N 3.38Å; Q775-V778 VanDerWaalsContact O-N 3.14Å
779	H	85.2	Confident	82.8	Confident	43 Å²	43	59.6 Å²	59.6	20%	0.199	29%	0.291	C	S	.	.			trans	-102	136.3	168.8	-66.3	85.9	0	0	0	110.3	L715 Q775 V784	L715-H779 HydrophobicContact CD1-CB 3.89Å; L715-H779 HydrophobicContact CG-CB 4.2Å; L715-H779 PolarHBondContact N-O 2.93Å; L715-H779 VanDerWaalsContact N-O 3.1Å; Q775-H779 PolarHBondContact O-N 3.18Å; Q775-H779 PolarHBondContact O-ND1 3.24Å; Q775-H779 PolarHBondContact OE1-CE1 2.97Å; H779-V784 HydrophobicContact CB-CG1 4.23Å
780	F	84.9	Confident	83.1	Confident	90 Å²	90	55.6 Å²	55.6	40%	0.395	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-95.7	162	169.8	-62.8	-83.3	0	0	0	111	T782 D783	F780-T782 PolarHBondContact O-N 2.93Å; F780-D783 PolarHBondContact N-OD2 2.79Å; F780-D783 WeakPolarHBondContact O-CB 3.48Å; F780-D783 PolarHBondContact O-N 3.48Å
781	L	82.8	Confident	83.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.1	-34.4	178.2	-168.5	50	0	0	0	112.8	I677 A709 T713 L715 V718 D783 C785 M787 L790	I677-L781 HydrophobicContact CD1-CD1 4.17Å; I677-L781 HydrophobicContact CD1-CD2 3.43Å; I677-L781 VanDerWaalsContact CD1-CD2 3.43Å; I677-L781 HydrophobicContact CD1-CG 3.83Å; A709-L781 HydrophobicContact CB-CD2 3.78Å; T713-L781 PolarHBondContact O-N 3.31Å; L715-L781 HydrophobicContact CD2-CD1 4.3Å; V718-L781 HydrophobicContact CG1-CD1 4.48Å; V718-L781 HydrophobicContact CG2-CB 4.48Å; V718-L781 HydrophobicContact CG2-CD1 4.22Å; V718-L781 HydrophobicContact CG2-CD2 4.09Å; L781-D783 VanDerWaalsContact C-N 3.27Å; L781-D783 PolarHBondContact O-N 3.33Å; L781-C785 PolarHBondContact O-N 2.91Å; L781-C785 PolarHBondContact O-SG 3.22Å; L781-M787 HydrophobicContact CG-SD 4.23Å; L781-L790 HydrophobicContact CD1-CD1 4.29Å; L781-L790 HydrophobicContact CD1-CD2 4.03Å
782	T	75.8	Confident	83.6	Confident	41 Å²	41	51 Å²	51	25%	0.252	26%	0.256	S	S	.	.	H	α-helix	trans	-66.5	-20.2	175.1	47	0	0	0	0	115.4	F780 V784 M787	F780-T782 PolarHBondContact O-N 2.93Å; T782-V784 VanDerWaalsContact C-N 3.33Å; T782-M787 HydrophobicContact CG2-CG 4.38Å; T782-M787 HydrophobicContact CG2-SD 3.74Å
783	D	77.7	Confident	83.8	Confident	63 Å²	63	46.4 Å²	46.4	34%	0.337	23%	0.231	S	C	.	.	H	α-helix	trans	-85.7	-17.6	-171	-50.1	-20.8	0	0	0	110.9	T762 F780 L781	T762-D783 VanDerWaalsContact OG1-C 3.29Å; T762-D783 PolarHBondContact OG1-O 3.23Å; F780-D783 PolarHBondContact N-OD2 2.79Å; F780-D783 WeakPolarHBondContact O-CB 3.48Å; F780-D783 PolarHBondContact O-N 3.48Å; L781-D783 VanDerWaalsContact C-N 3.27Å; L781-D783 PolarHBondContact O-N 3.33Å
784	V	80.2	Confident	84	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-127.6	-16.9	-161.5	-48.3	0	0	0	0	113.9	L715 D760 S761 T762 I771 H779 T782 L790	L715-V784 HydrophobicContact CD1-CG1 4.08Å; L715-V784 HydrophobicContact CD1-CG2 4.09Å; L715-V784 HydrophobicContact CD2-CG2 3.95Å; D760-V784 HydrophobicContact CB-CB 4.33Å; D760-V784 HydrophobicContact CB-CG1 4.43Å; S761-V784 PolarHBondContact N-O 3.26Å; S761-V784 PolarHBondContact OG-O 3.38Å; T762-V784 WeakPolarHBondContact OG1-CA 3.48Å; T762-V784 PolarHBondContact OG1-N 2.94Å; T762-V784 PolarHBondContact OG1-O 3.38Å; I771-V784 HydrophobicContact CD1-CB 3.9Å; I771-V784 HydrophobicContact CD1-CG1 3.4Å; H779-V784 HydrophobicContact CB-CG1 4.23Å; T782-V784 VanDerWaalsContact C-N 3.33Å; V784-L790 HydrophobicContact CG2-CD1 4.03Å
785	C	78.6	Confident	84	Confident	1 Å²	1	35 Å²	35	1%	0.007	19%	0.185	C	C	.	.	S	Bend	trans	-138.8	157.4	176	75.4	0	0	0	0	111.3	T762 L781 M787 D789 L790	T762-C785 PolarHBondContact OG1-N 2.89Å; L781-C785 PolarHBondContact O-N 2.91Å; L781-C785 PolarHBondContact O-SG 3.22Å; C785-M787 PolarHBondContact O-N 3.35Å; C785-D789 VanDerWaalsContact CB-O 3.31Å; C785-D789 WeakPolarHBondContact CB-O 3.46Å; C785-L790 HydrophobicContact CB-CB 4.46Å; C785-L790 HydrophobicContact CB-CD1 4.12Å
786	N	68.3	Low	83.6	Confident	40 Å²	40	36.8 Å²	36.8	21%	0.214	20%	0.197	C	C	.	.			trans	-76	18.4	177.8	70.9	-32.5	0	0	0	113.8	E788 D789	N786-E788 PolarHBondContact ND2-OE2 2.93Å; N786-E788 PolarHBondContact O-N 3.05Å; N786-E788 PolarHBondContact OD1-N 3.38Å; N786-D789 PolarHBondContact OD1-N 2.99Å
787	M	69.7	Low	83.1	Confident	23 Å²	23	37.4 Å²	37.4	11%	0.113	20%	0.2	C	C	.	.	S	Bend	trans	62.4	14.9	-169.7	-58.7	-61	-60.1	0	0	115.4	T675 I677 L781 T782 C785	T675-M787 HydrophobicContact CG2-CE 4Å; T675-M787 WeakPolarHBondContact OG1-CE 3.48Å; I677-M787 HydrophobicContact CD1-CE 3.93Å; I677-M787 WeakPolarHBondContact CG1-O 3.5Å; L781-M787 HydrophobicContact CG-SD 4.23Å; T782-M787 HydrophobicContact CG2-CG 4.38Å; T782-M787 HydrophobicContact CG2-SD 3.74Å; C785-M787 PolarHBondContact O-N 3.35Å
788	E	71.9	Confident	82.4	Confident	51 Å²	51	39 Å²	39	24%	0.238	20%	0.204	C	C	.	.	S	Bend	trans	-121.9	-54.2	175.2	-56.7	174.1	150.3	0	0	111.6	H641 N678 N786	H641-E788 VanDerWaalsContact CB-OE1 3.32Å; H641-E788 WeakPolarHBondContact CB-OE1 3.49Å; H641-E788 IonicContact CD2-OE1 3.82Å; H641-E788 IonicContact CG-OE1 3.26Å; N678-E788 PolarHBondContact N-O 3.12Å; N786-E788 PolarHBondContact ND2-OE2 2.93Å; N786-E788 PolarHBondContact O-N 3.05Å; N786-E788 PolarHBondContact OD1-N 3.38Å
789	D	85.6	Confident	81.2	Confident	30 Å²	30	35.7 Å²	35.7	16%	0.16	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.4	-175.8	-62.1	-26	0	0	0	112	N678 F680 R698 C785 N786 F791	N678-D789 PolarHBondContact ND2-OD1 3.22Å; F680-D789 HydrophobicContact CD2-CB 4.32Å; F680-D789 HydrophobicContact CE2-CB 4.04Å; F680-D789 WeakPolarHBondContact CE2-OD1 3.5Å; R698-D789 IonicContact NH1-OD2 3.42Å; R698-D789 PolarHBondContact NH1-OD2 3.23Å; C785-D789 VanDerWaalsContact CB-O 3.31Å; C785-D789 WeakPolarHBondContact CB-O 3.46Å; N786-D789 PolarHBondContact OD1-N 2.99Å; D789-F791 HydrophobicContact CB-CD2 4.37Å; D789-F791 HydrophobicContact CB-CE2 3.44Å; D789-F791 VanDerWaalsContact CB-CE2 3.44Å; D789-F791 HydrophobicContact CB-CZ 3.66Å
790	L	91.3	Very high	79.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.5	172.7	-178.8	63.2	0	0	0	110.5	I677 N678 V679 F680 I707 V718 I722 F758 L781 V784 C785	I677-L790 HydrophobicContact CG2-CB 3.57Å; N678-L790 PolarHBondContact O-N 3.08Å; V679-L790 WeakPolarHBondContact CA-O 3.29Å; F680-L790 PolarHBondContact N-O 3.01Å; I707-L790 HydrophobicContact CD1-CD2 4.01Å; V718-L790 HydrophobicContact CG1-CD2 3.87Å; I722-L790 HydrophobicContact CD1-CD2 3.95Å; F758-L790 HydrophobicContact CD1-CD1 4.21Å; F758-L790 HydrophobicContact CD1-CD2 4.37Å; F758-L790 HydrophobicContact CE1-CD2 4.1Å; L781-L790 HydrophobicContact CD1-CD1 4.29Å; L781-L790 HydrophobicContact CD1-CD2 4.03Å; V784-L790 HydrophobicContact CG2-CD1 4.03Å; C785-L790 HydrophobicContact CB-CB 4.46Å; C785-L790 HydrophobicContact CB-CD1 4.12Å
791	F	92.4	Very high	77.4	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.4	-177.8	-61.6	-87.9	0	0	0	112.1	F680 I682 R698 A701 I759 F768 D789	F680-F791 HydrophobicContact CB-CD1 3.8Å; F680-F791 HydrophobicContact CB-CE1 3.94Å; F680-F791 HydrophobicContact CD2-CD1 4.46Å; F680-F791 AromaticContact CD2-CE1 3.99Å; F680-F791 HydrophobicContact CD2-CE1 3.99Å; F680-F791 HydrophobicContact CD2-CZ 4.27Å; F680-F791 HydrophobicContact CG-CD1 4.39Å; F680-F791 HydrophobicContact CG-CE1 4.04Å; F680-F791 CarbonylContact O-C 3.55Å; F680-F791 WeakPolarHBondContact O-CA 3.48Å; I682-F791 HydrophobicContact CD1-CB 4.41Å; I682-F791 HydrophobicContact CD1-CD1 3.92Å; I682-F791 HydrophobicContact CD1-CG 4.49Å; R698-F791 HydrophobicContact CG-CE1 4.01Å; R698-F791 HydrophobicContact CG-CE2 4.42Å; R698-F791 HydrophobicContact CG-CZ 3.81Å; R698-F791 VanDerWaalsContact CZ-CE2 3.43Å; A701-F791 HydrophobicContact CB-CD1 3.93Å; A701-F791 HydrophobicContact CB-CE1 3.81Å; I759-F791 HydrophobicContact CB-CB 4.01Å; I759-F791 WeakPolarHBondContact CB-O 3.44Å; I759-F791 HydrophobicContact CD1-CB 3.85Å; I759-F791 HydrophobicContact CG1-CB 4.22Å; I759-F791 PolarHBondContact N-O 3.41Å; F768-F791 HydrophobicContact CE2-CD2 4.3Å; F768-F791 HydrophobicContact CE2-CG 4.2Å; F768-F791 HydrophobicContact CZ-CD2 4.14Å; F768-F791 HydrophobicContact CZ-CE2 4.37Å; F768-F791 HydrophobicContact CZ-CG 4.49Å; D789-F791 HydrophobicContact CB-CD2 4.37Å; D789-F791 HydrophobicContact CB-CE2 3.44Å; D789-F791 VanDerWaalsContact CB-CE2 3.44Å; D789-F791 HydrophobicContact CB-CZ 3.66Å
792	L	94.5	Very high	74.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	157.2	176.1	-50.7	-177.5	0	0	0	110.4	V679 F680 V681 I682 I704 I722 L752 W756 V757 F758	V679-L792 HydrophobicContact CG1-CD1 3.63Å; V679-L792 HydrophobicContact CG1-CG 3.95Å; F680-L792 PolarHBondContact O-N 3.29Å; V681-L792 HydrophobicContact CB-CB 4.44Å; V681-L792 HydrophobicContact CG2-CB 4.46Å; I682-L792 PolarHBondContact N-O 3.14Å; I704-L792 HydrophobicContact CD1-CD1 4.01Å; I722-L792 HydrophobicContact CD1-CD1 4.37Å; I722-L792 HydrophobicContact CD1-CD2 4.26Å; I722-L792 HydrophobicContact CG2-CD1 4Å; L752-L792 HydrophobicContact CD1-CD1 3.77Å; L752-L792 HydrophobicContact CD2-CD1 4.26Å; W756-L792 HydrophobicContact CD2-CD1 4.17Å; W756-L792 HydrophobicContact CE3-CB 4.45Å; W756-L792 HydrophobicContact CE3-CD1 3.93Å; W756-L792 HydrophobicContact CE3-CD2 3.79Å; W756-L792 HydrophobicContact CE3-CG 4.28Å; W756-L792 HydrophobicContact CH2-CD2 4.39Å; W756-L792 HydrophobicContact CZ3-CD1 4.16Å; W756-L792 HydrophobicContact CZ3-CD2 3.57Å; W756-L792 HydrophobicContact CZ3-CG 4.44Å; V757-L792 CarbonylContact O-C 3.56Å; V757-L792 WeakPolarHBondContact O-CA 3.48Å; F758-L792 HydrophobicContact CD1-CD2 3.51Å; F758-L792 HydrophobicContact CE1-CD2 3.93Å; F758-L792 HydrophobicContact CG-CD2 4.29Å
793	I	92.1	Very high	72.5	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.7	165.4	-53	173.3	0	0	0	109.1	I682 L684 Y687 W756 V757 I759 R770	I682-I793 WeakPolarHBondContact O-CA 3.36Å; L684-I793 HydrophobicContact CB-CG2 3.86Å; L684-I793 HydrophobicContact CD1-CG2 3.68Å; L684-I793 HydrophobicContact CG-CG2 4.42Å; Y687-I793 HydrophobicContact CD1-CD1 4.19Å; Y687-I793 HydrophobicContact CD2-CD1 3.35Å; Y687-I793 HydrophobicContact CD2-CG1 4.13Å; Y687-I793 HydrophobicContact CE1-CD1 4.41Å; Y687-I793 HydrophobicContact CE2-CD1 3.66Å; Y687-I793 HydrophobicContact CG-CD1 3.65Å; W756-I793 WeakPolarHBondContact CA-O 3.39Å; W756-I793 WeakPolarHBondContact CB-O 3.45Å; V757-I793 HydrophobicContact CG2-CB 3.99Å; V757-I793 HydrophobicContact CG2-CD1 4.47Å; V757-I793 PolarHBondContact N-O 3.42Å; V757-I793 PolarHBondContact O-N 3.24Å; I759-I793 HydrophobicContact CD1-CD1 3.99Å; I759-I793 HydrophobicContact CD1-CG1 3.39Å; I759-I793 HydrophobicContact CG1-CD1 3.93Å; I759-I793 HydrophobicContact CG1-CG1 3.5Å; I759-I793 VanDerWaalsContact CG1-CG1 3.5Å; R770-I793 HydrophobicContact CG-CD1 3.65Å; R770-I793 VanDerWaalsContact NE-CD1 3.28Å
794	D	92.5	Very high	70.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.9	169.1	-159.6	-45.9	0	0	0	111.3	V681 I682 L684 L752 S753 W756 I796 L797	V681-D794 HydrophobicContact CG2-CB 3.64Å; I682-D794 PolarHBondContact O-N 3.37Å; I682-D794 VanDerWaalsContact O-N 3.11Å; L684-D794 WeakPolarHBondContact CB-O 3.37Å; L684-D794 PolarHBondContact N-O 2.73Å; L752-D794 WeakPolarHBondContact CA-OD2 3.37Å; L752-D794 HydrophobicContact CD2-CB 4.44Å; S753-D794 PolarHBondContact N-OD2 3.24Å; S753-D794 PolarHBondContact OG-OD1 2.77Å; S753-D794 PolarHBondContact OG-OD2 3.07Å; S753-D794 VanDerWaalsContact OG-OD2 3.08Å; W756-D794 HydrophobicContact CB-CB 4.49Å; D794-I796 PolarHBondContact OD1-N 2.72Å; D794-L797 HydrophobicContact CB-CD1 3.83Å
795	S	86.7	Confident	67.3	Low	55 Å²	55	66 Å²	66	39%	0.385	34%	0.335	S	S	.	.	S	Bend	trans	-76.8	-23	176.3	47.5	0	0	0	0	114.5	S755	S755-S795 PolarHBondContact OG-OG 2.89Å
796	I	80.9	Confident	64.9	Low	122 Å²	122	71.9 Å²	71.9	63%	0.626	37%	0.372	S	S	*	.	S	Bend	trans	-83.4	-23.4	-177.9	-59.2	-163.4	0	0	0	111.6	S753 D794 E798	S753-I796 VanDerWaalsContact CB-CD1 3.43Å; D794-I796 PolarHBondContact OD1-N 2.72Å; I796-E798 PolarHBondContact O-N 3.41Å
797	L	81	Confident	62.8	Low	19 Å²	19	74.9 Å²	74.9	10%	0.099	39%	0.392	C	S	.	.			trans	-63.6	133.2	179.2	-102.2	77.6	0	0	0	113.1	V681 A683 I702 V750 D794	V681-L797 HydrophobicContact CG1-CD2 3.81Å; V681-L797 HydrophobicContact CG2-CD1 4.28Å; V681-L797 HydrophobicContact CG2-CD2 4.08Å; A683-L797 HydrophobicContact CB-CB 3.79Å; I702-L797 HydrophobicContact CD1-CD2 4.06Å; V750-L797 HydrophobicContact CG1-CD1 3.64Å; V750-L797 HydrophobicContact CG1-CD2 4.11Å; V750-L797 HydrophobicContact CG1-CG 4.21Å; D794-L797 HydrophobicContact CB-CD1 3.83Å
798	E	74.6	Confident	60.5	Low	140 Å²	140	79.7 Å²	79.7	65%	0.654	42%	0.423	S	S	*	.			trans	-79	148.1	171.7	-64.9	-110.4	94.3	0	0	111.2	K685 I796 H800	K685-E798 IonicContact NZ-OE1 2.74Å; K685-E798 PolarHBondContact NZ-OE1 3.46Å; I796-E798 PolarHBondContact O-N 3.41Å; E798-H800 PolarHBondContact O-N 3.44Å
799	S	58.4	Low	58.2	Low	25 Å²	25	84.3 Å²	84.3	18%	0.175	45%	0.45	C	S	.	.			trans	-80.8	102.2	-179.4	52.6	0	0	0	0	110.9	N686 L801	N686-S799 WeakPolarHBondContact OD1-CB 3.24Å; S799-L801 PolarHBondContact O-N 2.93Å
800	H	54.5	Low	55.2	Low	138 Å²	138	87.6 Å²	87.6	64%	0.639	48%	0.475	S	S	*	.	S	Bend	trans	-59.3	3.3	-179.5	-92.5	-89	0	0	0	116.9	E798 T802	E798-H800 PolarHBondContact O-N 3.44Å; H800-T802 PolarHBondContact O-N 2.88Å
801	L	36.6	Very low	52.1	Low	116 Å²	116	96.8 Å²	96.8	61%	0.607	52%	0.515	S	S	*	.			trans	-84	26.3	179.8	-68.3	174.1	0	0	0	114.2	M690 T700 S799	M690-L801 HydrophobicContact CE-CD1 3.72Å; T700-L801 HydrophobicContact CG2-CD1 3.96Å; T700-L801 HydrophobicContact CG2-CD2 4.47Å; T700-L801 HydrophobicContact CG2-CG 4.26Å; S799-L801 PolarHBondContact O-N 2.93Å
802	T	27	Very low	48.7	Very low	111 Å²	111	104.5 Å²	104.5	68%	0.681	55%	0.553	S	S	*	*			trans	-109.2	83.4	171.2	53.1	0	0	0	0	110.5	H800	H800-T802 PolarHBondContact O-N 2.88Å
803	Y	28.4	Very low	45.4	Very low	230 Å²	230	111.7 Å²	111.7	90%	0.902	59%	0.591	S	S	*	*			trans	-84.5	132.7	161.4	-147.4	-88	0	0	0	109.1	N805	Y803-N805 PolarHBondContact O-N 3.33Å
804	N	26.6	Very low	42.2	Very low	135 Å²	135	117.8 Å²	117.8	72%	0.722	62%	0.624	S	S	*	*			trans	-69	128.3	-160.5	-65.6	-42.9	0	0	0	113.7	P806	N804-P806 WeakPolarHBondContact O-CD 3.37Å
805	N	22.2	Very low	38.9	Very low	144 Å²	144	124.3 Å²	124.3	77%	0.77	66%	0.659	S	S	*	*			trans	-99.4	93.7	158.4	-98.1	-9.2	0	0	0	108.7	Y803 T807	Y803-N805 PolarHBondContact O-N 3.33Å; N805-T807 HydrophobicContact CB-CG2 4.33Å; N805-T807 PolarHBondContact O-N 2.96Å
806	P	28.6	Very low	36	Very low	123 Å²	123	127.1 Å²	127.1	80%	0.799	67%	0.674	S	S	*	*			trans	-76.3	71	166.4	33	-34.4	0	0	0	109.5	N804 T808	N804-P806 WeakPolarHBondContact O-CD 3.37Å; P806-T808 PolarHBondContact O-N 2.85Å
807	T	23	Very low	33.1	Very low	103 Å²	103	128.4 Å²	128.4	63%	0.632	68%	0.681	S	S	*	*			trans	-79.6	116.8	174.4	46.4	0	0	0	0	111	N805	N805-T807 HydrophobicContact CB-CG2 4.33Å; N805-T807 PolarHBondContact O-N 2.96Å
808	T	22.2	Very low	30.3	Very low	124 Å²	124	136 Å²	136	76%	0.761	72%	0.716	S	S	*	*	S	Bend	trans	66.2	128.9	152.8	53.3	0	0	0	0	120.5	P806	P806-T808 PolarHBondContact O-N 2.85Å
809	D	22.3	Very low	28.5	Very low	149 Å²	149	134.6 Å²	134.6	80%	0.797	72%	0.718	S	S	*	*			trans	74.1	120.6	151.5	-71	-29.5	0	0	0	122.6
810	S	23.6	Very low	26.8	Very low	98 Å²	98	141.4 Å²	141.4	69%	0.685	75%	0.752	S	S	*	*			trans	68.1	132.6	157.2	77.7	0	0	0	0	116.5
811	F	26	Very low	25.2	Very low	194 Å²	194	140.4 Å²	140.4	85%	0.851	76%	0.758	S	S	*	*			cis	-136.8	154.8	19	-89.9	-93.9	0	0	0	112.7
812	M	20.8	Very low	25.5	Very low	165 Å²	165	140.3 Å²	140.3	81%	0.813	76%	0.764	S	S	*	*			trans	-79.9	136.8	149.2	-68.2	177.6	162.8	0	0	108.3
813	D	25.5	Very low	25.2	Very low	151 Å²	151	141.3 Å²	141.3	81%	0.807	77%	0.772	S	S	*	*				-171.3	147.2	102.2	-100.6	-11.6	0	0	0	114.4
814	D	25.2	Very low	24.8	Very low	131 Å²	131	136.2 Å²	136.2	70%	0.701	77%	0.766	S	S	*	*			trans	2.7	120.2	152.1	-93.7	-31.8	0	0	0	121.7
815	N	24	Very low	24.5	Very low	137 Å²	137	134.9 Å²	134.9	73%	0.733	77%	0.767	S	S	*	*				68.8	145.7	112.2	-97.6	-53.6	0	0	0	123.6
816	V	23.9	Very low	24.5	Very low	114 Å²	114	134.8 Å²	134.8	69%	0.691	77%	0.766	S	S	*	*			trans	92.8	125.5	135.5	155.4	0	0	0	0	122.6
817	L	21.7	Very low	24.1	Very low	149 Å²	149	135 Å²	135	78%	0.78	76%	0.759	S	S	*	*			trans	76	106.2	153.2	-81.2	167.3	0	0	0	123.7
818	H	22.4	Very low	24	Very low	179 Å²	179	139.7 Å²	139.7	83%	0.829	77%	0.765	S	S	*	*				17.1	154.5	128.1	-79.7	-70.7	0	0	0	124.1
819	P	36.4	Very low	24.1	Very low	110 Å²	110	139.2 Å²	139.2	71%	0.714	76%	0.758	S	S	*	*			trans	-93	164.3	-164.2	38.5	-38.8	0	0	0	116.4
820	L	21.4	Very low	24.1	Very low	169 Å²	169	138.2 Å²	138.2	89%	0.885	75%	0.753	S	S	*	*			trans	-137.4	139.1	166.5	-78.9	172.5	0	0	0	112
821	P	21.9	Very low	24.1	Very low	116 Å²	116	139.1 Å²	139.1	75%	0.753	75%	0.75	S	S	*	*			trans	-97.7	-171	170.8	45.7	-39.2	0	0	0	109.8
822	P	41.6	Very low	24	Very low	114 Å²	114	136.3 Å²	136.3	74%	0.74	74%	0.744	S	S	*	*				-121.7	157.8	-106.6	32.5	-13.5	0	0	0	115.6
823	P	22.1	Very low	24.1	Very low	132 Å²	132	134.4 Å²	134.4	86%	0.857	74%	0.737	S	S	*	*			trans	-91.2	127.4	161.8	3.2	16.7	0	0	0	111.5
824	T	20.2	Very low	24	Very low	124 Å²	124	134.4 Å²	134.4	76%	0.761	73%	0.732	S	S	*	*			trans	-80	146	173.1	45.3	0	0	0	0	113.2
825	S	19	Very low	23.8	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	73%	0.729	S	S	*	*			trans	67.6	144	165.7	75.4	0	0	0	0	115.3
826	L	22.2	Very low	23.9	Very low	143 Å²	143	133.8 Å²	133.8	75%	0.749	73%	0.728	S	S	*	*				-148.2	142.6	50.6	-75.8	163.9	0	0	0	114.1
827	L	20.8	Very low	23.8	Very low	128 Å²	128	136.3 Å²	136.3	67%	0.67	73%	0.733	S	S	*	*			trans	54	123.9	134.7	-60.5	176.8	0	0	0	121.9
828	R	20.3	Very low	24	Very low	200 Å²	200	139.2 Å²	139.2	76%	0.755	74%	0.739	S	S	*	*				72.1	160	124.3	-67.2	-178.8	165.9	-115.6	5.7	118.6
829	D	24.5	Very low	24	Very low	115 Å²	115	133.8 Å²	133.8	62%	0.615	73%	0.732	S	S	*	*			cis	-155.9	165	-20	-87.5	-24.9	0	0	0	103.5
830	D	23	Very low	23.3	Very low	128 Å²	128	133.6 Å²	133.6	68%	0.684	74%	0.739	S	S	*	*			cis	-161.7	163.3	17.3	-161.7	10.9	0	0	0	110.8
831	N	24	Very low	23.5	Very low	117 Å²	117	135.1 Å²	135.1	63%	0.626	74%	0.739	S	S	*	*			trans	68.1	140.1	166.1	-54.5	-71.9	0	0	0	119.4
832	D	22.6	Very low	23.4	Very low	135 Å²	135	134.5 Å²	134.5	72%	0.722	74%	0.743	S	S	*	*			cis	70.9	109.3	40.5	-81.2	-23.2	0	0	0	116.6
833	N	24.7	Very low	22.5	Very low	125 Å²	125	133.5 Å²	133.5	67%	0.668	74%	0.739	S	S	*	*				172.1	115.9	120.6	-91.8	-68.2	0	0	0	109.2
834	Q	21.9	Very low	22.4	Very low	151 Å²	151	134 Å²	134	71%	0.706	73%	0.734	S	S	*	*				81.1	127.7	77	-77.7	-166.2	42	0	0	115.7
835	L	21.9	Very low	22.5	Very low	120 Å²	120	135 Å²	135	63%	0.628	74%	0.735	S	S	*	*			trans	43.2	116.4	152.5	-72.9	84.8	0	0	0	119.8
836	N	25.4	Very low	22.7	Very low	134 Å²	134	136.6 Å²	136.6	72%	0.717	74%	0.74	S	S	*	*				-172.1	129.1	94.5	-83.6	-51.2	0	0	0	107.4
837	Q	22.4	Very low	22.7	Very low	168 Å²	168	134.2 Å²	134.2	79%	0.785	74%	0.741	S	S	*	*			cis	65.6	63	45.1	-156.7	178.4	83.4	0	0	114.6
838	F	25.4	Very low	22.9	Very low	210 Å²	210	132.9 Å²	132.9	92%	0.921	74%	0.743	S	S	*	*			trans	-126.5	145.5	139.1	-79.4	-90.4	0	0	0	107.6
839	G	22.5	Very low	23.1	Very low	65 Å²	65	130 Å²	130	67%	0.67	74%	0.742	S	S	*	*			cis	161.6	97.1	-2.7	0	0	0	0	0	109.2
840	A	22.2	Very low	23	Very low	106 Å²	106	130.3 Å²	130.3	88%	0.876	74%	0.744	S	S	*	*			trans	-65	144	-170	0	0	0	0	0	113.2
841	K	24.2	Very low	23.1	Very low	201 Å²	201	133.3 Å²	133.3	87%	0.874	75%	0.754	S	S	*	*			trans	-128.4	91.1	162.8	-81.4	-170.6	173.7	-178.6	0	110.3
842	A	20.6	Very low	23	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	76%	0.756	S	S	*	*			trans	-102.8	104.4	163.1	0	0	0	0	0	108.4
843	S	22.5	Very low	23.4	Very low	94 Å²	94	136.7 Å²	136.7	66%	0.657	77%	0.765	S	S	*	*			trans	177.3	140.6	174.8	56.3	0	0	0	0	108.5
844	N	20.2	Very low	23.4	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	76%	0.763	S	S	*	*			cis	-170.6	166.5	-15.9	-121.3	-12.5	0	0	0	106.2
845	L	21.3	Very low	23.6	Very low	146 Å²	146	135.3 Å²	135.3	76%	0.764	76%	0.763	S	S	*	*			trans	38.1	124.6	148.5	-55	167.5	0	0	0	117.9
846	T	24.8	Very low	24.1	Very low	139 Å²	139	136 Å²	136	85%	0.853	77%	0.767	S	S	*	*				-145.7	151	76.9	39	0	0	0	0	114.1
847	A	21.2	Very low	24.3	Very low	94 Å²	94	135.7 Å²	135.7	78%	0.777	77%	0.766	S	S	*	*			trans	-103.3	149.8	157.4	0	0	0	0	0	109.7
848	S	25.9	Very low	24.7	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	76%	0.764	S	S	*	*			trans	-158.1	116.5	161.5	50.5	0	0	0	0	105.2
849	D	23.6	Very low	25.1	Very low	138 Å²	138	131.6 Å²	131.6	74%	0.738	76%	0.759	S	S	*	*				58.3	135.4	77.3	-73.3	-51.8	0	0	0	112.2
850	N	22.1	Very low	25.4	Very low	123 Å²	123	136 Å²	136	66%	0.658	77%	0.767	S	S	*	*			cis	164	113.5	-13.2	-124.9	-44.6	0	0	0	103.1
851	Q	26.3	Very low	26	Very low	191 Å²	191	138.9 Å²	138.9	89%	0.893	77%	0.768	S	S	*	*			trans	167.8	117.5	167.7	-98.6	146	99.7	0	0	106.6
852	N	21.6	Very low	26.2	Very low	127 Å²	127	136.6 Å²	136.6	68%	0.679	77%	0.765	S	S	*	*			cis	86.9	63.6	11.6	-143.5	89.1	0	0	0	116.7	N854	N852-N854 PolarHBondContact ND2-OD1 2.91Å
853	E	30.6	Very low	27	Very low	195 Å²	195	140 Å²	140	91%	0.911	77%	0.769	S	S	*	*			trans	-122	115.3	152.5	-61	179.4	148.4	0	0	104.6
854	N	25.2	Very low	27.2	Very low	117 Å²	117	143 Å²	143	63%	0.626	78%	0.778	S	S	*	*			cis	77.3	107.5	43.9	-74.6	15.4	0	0	0	115.3	N852	N852-N854 PolarHBondContact ND2-OD1 2.91Å
855	N	25.9	Very low	27.8	Very low	131 Å²	131	143.2 Å²	143.2	70%	0.701	78%	0.779	S	S	*	*			trans	62	146.7	147	-45.8	16.1	0	0	0	116.6
856	D	32.3	Very low	28.2	Very low	134 Å²	134	142.3 Å²	142.3	72%	0.717	78%	0.775	S	S	*	*			cis	-141.5	146.4	41	-64.6	-33.8	0	0	0	108.2
857	D	29.7	Very low	28.5	Very low	128 Å²	128	140.6 Å²	140.6	68%	0.684	77%	0.768	S	S	*	*				57.7	133.8	83.7	-45.4	-14.3	0	0	0	112.4
858	D	30.2	Very low	28.8	Very low	140 Å²	140	144 Å²	144	75%	0.749	77%	0.772	S	S	*	*			cis	-162.2	-167.1	8.8	-123.3	-20	0	0	0	110.3
859	D	33.4	Very low	29.1	Very low	151 Å²	151	146.7 Å²	146.7	81%	0.807	78%	0.778	S	S	*	*			trans	80.1	106.1	159.2	-66.4	-26.1	0	0	0	120.8
860	D	29.5	Very low	29.3	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	78%	0.78	S	S	*	*			trans	-50.7	160.2	158.6	-51.4	-54.8	0	0	0	115.6
861	D	34	Very low	29.5	Very low	168 Å²	168	143.9 Å²	143.9	90%	0.898	78%	0.778	S	S	*	*				-163.4	144.4	123.2	-117.8	-21.6	0	0	0	110.6
862	D	30.3	Very low	29.6	Very low	153 Å²	153	141.3 Å²	141.3	82%	0.818	77%	0.77	S	S	*	*			trans	-80.7	154.7	-177	-68.3	-56.4	0	0	0	113.4
863	D	35.4	Very low	29.9	Very low	173 Å²	173	142.2 Å²	142.2	93%	0.925	78%	0.775	S	S	*	*			trans	-161.1	93.4	142.7	-118.2	-15.4	0	0	0	111.1
864	D	27.5	Very low	29.8	Very low	157 Å²	157	138.9 Å²	138.9	84%	0.84	76%	0.763	S	S	*	*			trans	-84.3	114.9	174.8	-128.5	-14.3	0	0	0	109.6
865	D	33.2	Very low	30	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	76%	0.763	S	S	*	*			trans	-148.4	81.5	163.7	-141	3.2	0	0	0	116
866	N	29.4	Very low	30.3	Very low	127 Å²	127	141.3 Å²	141.3	68%	0.679	77%	0.77	S	S	*	*				58.9	141.9	129.9	-72.6	-68.9	0	0	0	124
867	S	31.9	Very low	30.4	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	77%	0.769	S	S	*	*			trans	65	91.6	147.9	57	0	0	0	0	118.3	D869	S867-D869 PolarHBondContact O-N 2.87Å
868	I	26.9	Very low	30.6	Very low	166 Å²	166	142.4 Å²	142.4	85%	0.851	78%	0.776	S	S	*	*			trans	-56.5	124.9	137.6	-62.3	164.4	0	0	0	107.1
869	D	32.3	Very low	30.7	Very low	156 Å²	156	141.2 Å²	141.2	83%	0.834	77%	0.77	S	S	*	*			trans	-111.6	132.5	174.3	-167.6	19.9	0	0	0	108.5	S867	S867-D869 PolarHBondContact O-N 2.87Å
870	D	27.9	Very low	30.2	Very low	143 Å²	143	141.3 Å²	141.3	77%	0.765	77%	0.77	S	S	*	*			trans	-77.3	158.6	-160.5	-94.8	-52.2	0	0	0	114.4	D872	D870-D872 PolarHBondContact O-N 2.86Å
871	G	26.2	Very low	30.2	Very low	60 Å²	60	137.9 Å²	137.9	62%	0.619	76%	0.758	S	S	*	*			trans	-74.3	90.1	-174.4	0	0	0	0	0	114.6	N873	G871-N873 PolarHBondContact O-N 2.94Å; G871-N873 PolarHBondContact O-ND2 2.92Å
872	D	28.5	Very low	29.6	Very low	136 Å²	136	136.6 Å²	136.6	73%	0.727	75%	0.748	S	S	*	*			trans	-55.6	97.6	164.5	-95.3	-11.2	0	0	0	110.9	D870 D874	D870-D872 PolarHBondContact O-N 2.86Å; D872-D874 VanDerWaalsContact C-N 3.26Å; D872-D874 PolarHBondContact O-N 2.87Å; D872-D874 VanDerWaalsContact O-N 3.07Å
873	N	26.5	Very low	29.4	Very low	146 Å²	146	136 Å²	136	78%	0.781	75%	0.745	S	S	*	*			trans	-84.7	58.1	179.4	-82.6	-96	0	0	0	112	G871 D875	G871-N873 PolarHBondContact O-N 2.94Å; G871-N873 PolarHBondContact O-ND2 2.92Å; N873-D875 PolarHBondContact O-N 2.9Å
874	D	29	Very low	28.7	Very low	125 Å²	125	136.6 Å²	136.6	67%	0.668	74%	0.739	S	S	*	*			trans	-76	68.8	173.5	-80.9	-13.5	0	0	0	111.7	D872 E876	D872-D874 VanDerWaalsContact C-N 3.26Å; D872-D874 PolarHBondContact O-N 2.87Å; D872-D874 VanDerWaalsContact O-N 3.07Å; D874-E876 VanDerWaalsContact C-N 3.32Å; D874-E876 PolarHBondContact O-N 2.83Å; D874-E876 VanDerWaalsContact O-N 3.13Å
875	D	30.2	Very low	28.6	Very low	115 Å²	115	134.7 Å²	134.7	62%	0.615	73%	0.733	S	S	*	*			trans	-78.2	75.2	167.9	-110.1	-3.6	0	0	0	109.8	N873	N873-D875 PolarHBondContact O-N 2.9Å
876	E	31.7	Very low	28.1	Very low	184 Å²	184	136.6 Å²	136.6	86%	0.86	74%	0.738	S	S	*	*			trans	-96.4	130.4	169.1	-75.1	-161.6	145	0	0	112.2	D874	D874-E876 VanDerWaalsContact C-N 3.32Å; D874-E876 PolarHBondContact O-N 2.83Å; D874-E876 VanDerWaalsContact O-N 3.13Å
877	D	34.8	Very low	27.8	Very low	130 Å²	130	136.2 Å²	136.2	70%	0.695	74%	0.74	S	S	*	*			trans	-75.5	127.6	-172	-69.6	-63.2	0	0	0	114.7	D879	D877-D879 PolarHBondContact O-N 3.15Å
878	D	33	Very low	27.3	Very low	155 Å²	155	140.8 Å²	140.8	83%	0.829	75%	0.747	S	S	*	*			trans	-80.1	48.8	174.7	-116.7	-19.1	0	0	0	111.8
879	D	32.3	Very low	27.3	Very low	115 Å²	115	139.1 Å²	139.1	62%	0.615	74%	0.74	S	S	*	*			trans	-117.6	84.3	-174.8	-115.9	-39.6	0	0	0	114.2	D877	D877-D879 PolarHBondContact O-N 3.15Å
880	D	24.3	Very low	26.8	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	74%	0.739	S	S	*	*			trans	-119.4	71.8	172.5	-173.1	17.8	0	0	0	111.1
881	C	29.3	Very low	26.6	Very low	86 Å²	86	141.1 Å²	141.1	58%	0.581	74%	0.741	S	S	*	*			trans	-129.6	87.4	179	-164.5	0	0	0	0	112.1	N883	C881-N883 PolarHBondContact O-N 2.98Å
882	M	20.9	Very low	26.4	Very low	141 Å²	141	144.8 Å²	144.8	70%	0.695	75%	0.745	S	S	*	*			trans	-54.4	117.5	177.6	-76.7	-90.6	177.7	0	0	113.7
883	N	26.2	Very low	26	Very low	140 Å²	140	143.5 Å²	143.5	75%	0.749	75%	0.747	S	S	*	*			trans	-139.2	89.2	158.1	-101.2	-42.1	0	0	0	110.9	C881 T885	C881-N883 PolarHBondContact O-N 2.98Å; N883-T885 PolarHBondContact O-N 3.41Å
884	K	21.3	Very low	25.9	Very low	185 Å²	185	142.5 Å²	142.5	80%	0.804	75%	0.746	S	S	*	*			trans	-85.9	88.1	176.6	-72.4	-178.1	177.8	176.7	0	111.4
885	T	24.8	Very low	25.5	Very low	117 Å²	117	143.6 Å²	143.6	72%	0.718	75%	0.752	S	S	*	*			trans	-107.6	99.6	166.8	34.5	0	0	0	0	110.5	N883 T887	N883-T885 PolarHBondContact O-N 3.41Å; T885-T887 PolarHBondContact O-N 2.92Å
886	Q	22	Very low	25.3	Very low	186 Å²	186	146 Å²	146	87%	0.869	77%	0.765	S	S	*	*			trans	-75.2	87.7	179.1	-71.3	-177	-20.1	0	0	112.1
887	T	23.7	Very low	24.9	Very low	119 Å²	119	145.3 Å²	145.3	73%	0.73	76%	0.764	S	S	*	*			trans	-87.9	105.6	163.1	36.9	0	0	0	0	110.1	T885 N889	T885-T887 PolarHBondContact O-N 2.92Å; T887-N889 PolarHBondContact O-N 3.04Å
888	K	22.6	Very low	24.2	Very low	198 Å²	198	144.4 Å²	144.4	86%	0.861	77%	0.767	S	S	*	*			trans	-70	87	176.8	-71.1	-178.7	176.2	179.9	0	111.2	L890	K888-L890 PolarHBondContact O-N 3.07Å
889	N	25.8	Very low	23.7	Very low	131 Å²	131	143.3 Å²	143.3	70%	0.701	77%	0.766	S	S	*	*			trans	-80.5	112.9	166.9	-77.7	-7.9	0	0	0	109.9	T887 F891	T887-N889 PolarHBondContact O-N 3.04Å; N889-F891 PolarHBondContact O-N 2.87Å; N889-F891 VanDerWaalsContact O-N 3.15Å
890	L	22.3	Very low	23.1	Very low	157 Å²	157	146.8 Å²	146.8	82%	0.822	78%	0.779	S	S	*	*			trans	-79.2	90.9	-179.7	-172.1	76.6	0	0	0	109.9	K888 I892	K888-L890 PolarHBondContact O-N 3.07Å; L890-I892 PolarHBondContact O-N 2.95Å; L890-I892 VanDerWaalsContact O-N 3.09Å
891	F	24	Very low	23	Very low	184 Å²	184	142.7 Å²	142.7	81%	0.807	77%	0.772	S	S	*	*			trans	-70.5	102.3	171.3	-85.8	-84.7	0	0	0	110.3	N889 S893	N889-F891 PolarHBondContact O-N 2.87Å; N889-F891 VanDerWaalsContact O-N 3.15Å; F891-S893 PolarHBondContact O-N 2.9Å
892	I	21.3	Very low	22.5	Very low	138 Å²	138	147.8 Å²	147.8	71%	0.708	79%	0.788	S	S	*	*			trans	-69.3	116	166.5	-64.2	176.2	0	0	0	107.1	L890 T894	L890-I892 PolarHBondContact O-N 2.95Å; L890-I892 VanDerWaalsContact O-N 3.09Å; I892-T894 PolarHBondContact O-N 2.91Å
893	S	20.4	Very low	22.5	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	79%	0.794	S	S	*	*			trans	-78.3	110.2	177.7	-59.3	0	0	0	0	109.5	F891	F891-S893 PolarHBondContact O-N 2.9Å
894	T	24.2	Very low	22.1	Very low	126 Å²	126	151.1 Å²	151.1	77%	0.773	80%	0.798	S	S	*	*			trans	-92.7	119.7	167.4	48.7	0	0	0	0	109.3	I892 N896	I892-T894 PolarHBondContact O-N 2.91Å; T894-N896 PolarHBondContact O-N 2.92Å
895	N	21.6	Very low	22.2	Very low	147 Å²	147	149.6 Å²	149.6	79%	0.786	80%	0.797	S	S	*	*			trans	-45.3	130	-175.2	-52	-20.2	0	0	0	113.6
896	N	25.7	Very low	22	Very low	167 Å²	167	149.3 Å²	149.3	89%	0.893	80%	0.797	S	S	*	*			trans	-110.1	132.3	139	-94.2	-13.5	0	0	0	106.7	T894	T894-N896 PolarHBondContact O-N 2.92Å
897	M	21.9	Very low	21.9	Very low	169 Å²	169	147.1 Å²	147.1	83%	0.833	79%	0.791	S	S	*	*			trans	-73.8	131.4	-173.5	-79.6	147.5	48.1	0	0	111.6	V899	M897-V899 PolarHBondContact O-N 2.76Å
898	S	20.9	Very low	21.9	Very low	110 Å²	110	148.8 Å²	148.8	77%	0.769	80%	0.796	S	S	*	*			trans	-61.2	120.7	160.9	-55	0	0	0	0	109.3
899	V	23.5	Very low	21.8	Very low	133 Å²	133	146 Å²	146	81%	0.806	79%	0.79	S	S	*	*			trans	-98.3	95.1	165.2	179.5	0	0	0	0	106.9	M897 G901	M897-V899 PolarHBondContact O-N 2.76Å; V899-G901 PolarHBondContact O-N 2.89Å
900	E	18.9	Very low	21.6	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	79%	0.791	S	S	*	*			trans	-74.4	117.6	169.7	-66.3	176.9	148.9	0	0	108.1
901	G	22.3	Very low	21.7	Very low	66 Å²	66	147.1 Å²	147.1	68%	0.68	79%	0.793	S	S	*	*			trans	-138.4	76.8	-173.4	0	0	0	0	0	111.7	V899 I903	V899-G901 PolarHBondContact O-N 2.89Å; G901-I903 PolarHBondContact O-N 3.06Å
902	E	18.4	Very low	21.5	Very low	194 Å²	194	145.6 Å²	145.6	91%	0.907	79%	0.788	S	S	*	*			trans	-73.2	101.8	176.5	-62.7	-175.4	134.5	0	0	111.4
903	I	21.4	Very low	21.7	Very low	159 Å²	159	144.3 Å²	144.3	82%	0.815	79%	0.791	S	S	*	*			trans	-132.6	101.1	163.7	-57.8	-175.9	0	0	0	110.8	G901	G901-I903 PolarHBondContact O-N 3.06Å
904	F	18	Very low	21.6	Very low	192 Å²	192	144.9 Å²	144.9	84%	0.842	79%	0.79	S	S	*	*			trans	26.8	109.4	149.1	-100.8	-104.2	0	0	0	119.5
905	I	21.7	Very low	21.6	Very low	152 Å²	152	144.1 Å²	144.1	78%	0.779	79%	0.79	S	S	*	*			trans	-81.3	124.3	150.3	-59.3	170.8	0	0	0	107.2
906	P	22.2	Very low	21.5	Very low	112 Å²	112	143 Å²	143	73%	0.727	79%	0.788	S	S	*	*			trans	-75.1	126.3	173.4	29.9	-32.1	0	0	0	110.6
907	N	18.7	Very low	21.5	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	79%	0.789	S	S	*	*			trans	-83.4	177.3	159.8	-77	-23.3	0	0	0	110.1
908	D	23.9	Very low	21.4	Very low	154 Å²	154	141.7 Å²	141.7	82%	0.824	78%	0.783	S	S	*	*			trans	84.5	138.6	175.9	-51.7	-2.7	0	0	0	114.2
909	D	21.1	Very low	21.6	Very low	140 Å²	140	142.7 Å²	142.7	75%	0.749	78%	0.78	S	S	*	*			cis	-177.4	164.8	-30.1	-146	-26.5	0	0	0	104.6
910	M	21.1	Very low	21.6	Very low	143 Å²	143	143.9 Å²	143.9	70%	0.704	78%	0.777	S	S	*	*			trans	41.2	110	161.7	-53.4	-163.4	81.4	0	0	120.8
911	I	25.2	Very low	21.8	Very low	169 Å²	169	139.6 Å²	139.6	87%	0.867	77%	0.768	S	S	*	*				-135.3	123.3	116.6	-63.4	-169.8	0	0	0	109.2
912	H	19.7	Very low	22	Very low	152 Å²	152	142.7 Å²	142.7	70%	0.704	78%	0.779	S	S	*	*			trans	-96.7	133.6	167.4	-93.9	-79.6	0	0	0	110.8
913	S	24.1	Very low	22.3	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	77%	0.769	S	S	*	*			trans	-172.7	104.5	154.8	-77.1	0	0	0	0	108.1
914	T	19.6	Very low	22.5	Very low	121 Å²	121	136.4 Å²	136.4	74%	0.742	77%	0.769	S	S	*	*			cis	75.9	69.8	45.1	76.6	0	0	0	0	117.3
915	S	22.9	Very low	22.9	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	77%	0.771	S	S	*	*			trans	179.4	111.1	141.2	52.7	0	0	0	0	108.3
916	V	20.9	Very low	23.1	Very low	122 Å²	122	139.3 Å²	139.3	74%	0.739	78%	0.779	S	S	*	*				60.6	92.7	66.4	-174.6	0	0	0	0	112.6
917	L	24.4	Very low	23.4	Very low	177 Å²	177	138.4 Å²	138.4	93%	0.927	78%	0.781	S	S	*	*			trans	-143.9	120.3	141.9	-81.2	-176.3	0	0	0	107.5
918	D	20.5	Very low	23.8	Very low	133 Å²	133	139.4 Å²	139.4	71%	0.711	79%	0.787	S	S	*	*			trans	-93.6	144.6	173.3	-52.7	-77.6	0	0	0	110.1
919	N	24.2	Very low	23.8	Very low	130 Å²	130	143.3 Å²	143.3	70%	0.695	79%	0.79	S	S	*	*				158.1	151.3	128.2	-87.6	16.4	0	0	0	113.7
920	E	24.2	Very low	24	Very low	158 Å²	158	144.6 Å²	144.6	74%	0.738	80%	0.796	S	S	*	*			trans	53.4	103.3	147.8	-69.6	155.8	-128.6	0	0	118
921	S	22.7	Very low	24.2	Very low	99 Å²	99	144.8 Å²	144.8	69%	0.692	80%	0.798	S	S	*	*				84.8	142.6	64	73.2	0	0	0	0	114
922	S	27.1	Very low	24.2	Very low	130 Å²	130	147.2 Å²	147.2	91%	0.909	80%	0.798	S	S	*	*			trans	65	148.9	-158.1	79.2	0	0	0	0	113
923	G	24.2	Very low	24.4	Very low	69 Å²	69	146 Å²	146	71%	0.711	80%	0.801	S	S	*	*			cis	146	114.5	0.5	0	0	0	0	0	109.2
924	D	26	Very low	24.4	Very low	152 Å²	152	148.9 Å²	148.9	81%	0.813	81%	0.806	S	S	*	*			trans	13.4	103.6	176.6	-66.6	-30.4	0	0	0	119.3
925	K	27.4	Very low	24.5	Very low	201 Å²	201	154.1 Å²	154.1	87%	0.874	81%	0.814	S	S	*	*			trans	171.5	73.4	137.5	-90	144.6	-160.2	156.6	0	112.2
926	Q	25.7	Very low	24.5	Very low	205 Å²	205	157.9 Å²	157.9	96%	0.958	82%	0.82	S	S	*	*			trans	-154.7	39.2	170.5	-129.6	152.6	108.1	0	0	117.9
927	A	27.6	Very low	24.6	Very low	92 Å²	92	159.4 Å²	159.4	76%	0.76	82%	0.822	S	S	*	*	S	Bend	trans	-99.5	-32.7	170.4	0	0	0	0	0	114.2	R929	A927-R929 PolarHBondContact O-N 3.16Å
928	N	26.5	Very low	24.7	Very low	161 Å²	161	158.2 Å²	158.2	86%	0.861	82%	0.816	S	S	*	*	S	Bend	trans	-96.6	66.3	-170.9	-76.9	-20.8	0	0	0	113.6
929	R	25.7	Very low	24.7	Very low	235 Å²	235	161.4 Å²	161.4	89%	0.887	83%	0.827	S	S	*	*			trans	-147.1	17.7	170.7	-132.6	176	-170.7	171.4	4	117.8	A927	A927-R929 PolarHBondContact O-N 3.16Å
930	L	24.9	Very low	24.7	Very low	167 Å²	167	159.8 Å²	159.8	87%	0.874	83%	0.826	S	S	*	*	S	Bend	trans	-109.2	11.2	-179.2	-102.5	167	0	0	0	115.4
931	I	25.9	Very low	24.8	Very low	148 Å²	148	160.5 Å²	160.5	76%	0.759	84%	0.835	S	S	*	*	S	Bend	trans	-99.6	-8	-172.9	-72.3	177.1	0	0	0	114.2
932	Y	24.7	Very low	24.7	Very low	219 Å²	219	164.7 Å²	164.7	86%	0.859	84%	0.843	S	S	*	*	S	Bend	trans	-132.8	58	-176	-91.6	-78.7	0	0	0	114.2
933	T	22.6	Very low	24.5	Very low	127 Å²	127	167.2 Å²	167.2	78%	0.779	84%	0.838	S	S	*	*	S	Bend	trans	-152.9	32.3	168.4	-27.6	0	0	0	0	115.6
934	I	24.3	Very low	24.6	Very low	170 Å²	170	171.4 Å²	171.4	87%	0.872	84%	0.844	S	S	*	*			trans	-134.8	68.4	164.9	-45.8	179.6	0	0	0	110.3
935	Y	22.5	Very low	24.4	Very low	232 Å²	232	170.3 Å²	170.3	91%	0.91	84%	0.838	S	S	*	*	S	Bend	trans	-139.8	32.6	162.9	-149.3	-90.7	0	0	0	111.4
936	E	23.2	Very low	24.4	Very low	189 Å²	189	168 Å²	168	88%	0.883	83%	0.83	S	S	*	*			trans	-153.5	74.5	178.8	-142.9	176.4	-108.8	0	0	111.9
937	I	23.4	Very low	24.1	Very low	154 Å²	154	165.2 Å²	165.2	79%	0.79	82%	0.822	S	S	*	*	S	Bend	trans	-156.9	146.1	159.8	-97.9	144.3	0	0	0	106.5
938	N	25.2	Very low	23.9	Very low	151 Å²	151	169 Å²	169	81%	0.807	83%	0.828	S	S	*	*			trans	85.9	25.3	-174.5	-56.7	-23.4	0	0	0	118.6
939	Q	21.9	Very low	23.5	Very low	200 Å²	200	166.9 Å²	166.9	94%	0.935	82%	0.82	S	S	*	*			trans	-104.3	72.5	149.7	-77.4	-155.1	45.9	0	0	111.4
940	S	23.3	Very low	23.3	Very low	96 Å²	96	162.1 Å²	162.1	67%	0.671	81%	0.812	S	S	*	*			trans	-156.9	76.1	172.2	51.6	0	0	0	0	114.4
941	N	26.3	Very low	23.1	Very low	174 Å²	174	159.4 Å²	159.4	93%	0.93	80%	0.803	S	S	*	*			trans	-155.1	42.3	152.4	-105.6	-31.9	0	0	0	114	K943	N941-K943 PolarHBondContact O-N 2.81Å
942	H	20.8	Very low	22.9	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.866	80%	0.8	S	S	*	*			trans	-79.4	111.6	163.3	-100	-64.8	0	0	0	110.6
943	K	23.1	Very low	22.7	Very low	183 Å²	183	154.6 Å²	154.6	80%	0.796	79%	0.794	S	S	*	*			trans	147	107	141.1	-81.1	157.1	-174.8	171.5	0	112.9	N941	N941-K943 PolarHBondContact O-N 2.81Å
944	N	25.8	Very low	22.7	Very low	156 Å²	156	154 Å²	154	83%	0.834	79%	0.793	S	S	*	*				-179.4	94.7	124.7	-88.2	-27.4	0	0	0	107.8
945	N	22.8	Very low	22.5	Very low	130 Å²	130	151.7 Å²	151.7	70%	0.695	79%	0.792	S	S	*	*				74.7	121.1	83.4	-95.7	12.9	0	0	0	116.1
946	H	25.6	Very low	22.5	Very low	152 Å²	152	144.1 Å²	144.1	70%	0.704	79%	0.785	S	S	*	*			trans	67.1	98.5	157.3	-62.2	-59	0	0	0	120.6
947	N	19.8	Very low	22.5	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	78%	0.782	S	S	*	*				18.5	112.3	118.5	-55.4	12.1	0	0	0	117.2
948	I	23.6	Very low	22.3	Very low	172 Å²	172	138.1 Å²	138.1	88%	0.882	78%	0.784	S	S	*	*			trans	-128.2	106.6	139.8	-61.7	-177.6	0	0	0	108.1
949	T	18.6	Very low	22.2	Very low	115 Å²	115	136 Å²	136	71%	0.706	78%	0.781	S	S	*	*			trans	-85.2	127.7	161.9	48.4	0	0	0	0	108.8
950	N	21.3	Very low	22.2	Very low	135 Å²	135	132 Å²	132	72%	0.722	78%	0.775	S	S	*	*			trans	173	119.8	131	-92.7	-2.3	0	0	0	114.9
951	T	20.6	Very low	22.3	Very low	111 Å²	111	132.7 Å²	132.7	68%	0.681	78%	0.78	S	S	*	*				54	136.5	127	67.9	0	0	0	0	122.8
952	N	22.3	Very low	22.1	Very low	130 Å²	130	130.3 Å²	130.3	70%	0.695	77%	0.772	S	S	*	*			trans	93	106.3	144.6	-68.1	12.6	0	0	0	121.3
953	D	20.6	Very low	22.2	Very low	135 Å²	135	127 Å²	127	72%	0.722	77%	0.77	S	S	*	*				81.1	158.6	119.2	-60.3	-32.3	0	0	0	123.3
954	C	21.8	Very low	22.3	Very low	114 Å²	114	123.4 Å²	123.4	77%	0.77	77%	0.767	S	S	*	*			trans	74	82.5	164	-66.4	0	0	0	0	119.5
955	S	21.1	Very low	22.2	Very low	122 Å²	122	120.6 Å²	120.6	85%	0.853	76%	0.76	S	S	*	*				0.7	126.7	124.6	57.1	0	0	0	0	118.1
956	G	22.1	Very low	22.4	Very low	74 Å²	74	121.5 Å²	121.5	76%	0.763	76%	0.763	S	S	*	*			trans	-175.4	84.1	174.1	0	0	0	0	0	116.9
957	S	21.9	Very low	22.2	Very low	116 Å²	116	122.5 Å²	122.5	81%	0.811	77%	0.768	S	S	*	*			trans	-2	118	156.2	56.2	0	0	0	0	121.4
958	A	19.7	Very low	22.4	Very low	100 Å²	100	122.8 Å²	122.8	83%	0.826	77%	0.77	S	S	*	*			trans	33.9	113.9	130.1	0	0	0	0	0	122
959	S	23.2	Very low	22.3	Very low	108 Å²	108	120.4 Å²	120.4	76%	0.755	76%	0.763	S	S	*	*			trans	-166.9	111.7	144.1	8.1	0	0	0	0	108.7
960	S	21.6	Very low	22.7	Very low	116 Å²	116	120.8 Å²	120.8	81%	0.811	77%	0.771	S	S	*	*				79.9	84.8	74.3	75.2	0	0	0	0	115.1
961	S	26.2	Very low	22.9	Very low	110 Å²	110	119.5 Å²	119.5	77%	0.769	77%	0.773	S	S	*	*			trans	-160.2	147.5	158.1	50.4	0	0	0	0	108.3
962	T	21.5	Very low	23	Very low	124 Å²	124	120 Å²	120	76%	0.761	78%	0.775	S	S	*	*			cis	167	154.1	-33	26.8	0	0	0	0	105.5
963	S	22.6	Very low	23.1	Very low	118 Å²	118	121.5 Å²	121.5	83%	0.825	78%	0.783	S	S	*	*			trans	69.1	146	178.7	74.4	0	0	0	0	115.2
964	S	26.5	Very low	23.1	Very low	106 Å²	106	120.7 Å²	120.7	74%	0.741	78%	0.783	S	S	*	*			cis	-171.1	154	-7.4	41.1	0	0	0	0	106.3
965	S	22	Very low	23.2	Very low	97 Å²	97	121.4 Å²	121.4	68%	0.678	78%	0.784	S	S	*	*			cis	171.5	-174.3	6.7	45.4	0	0	0	0	105.9
966	I	27.4	Very low	23.2	Very low	150 Å²	150	121.8 Å²	121.8	77%	0.769	78%	0.776	S	S	*	*			trans	73.6	114.2	-177.8	-48.3	168.7	0	0	0	111.1
967	Q	21.3	Very low	23.2	Very low	172 Å²	172	129.4 Å²	129.4	80%	0.804	78%	0.784	S	S	*	*			cis	77.2	90.3	16.1	-67.8	-168.1	-33.4	0	0	118.6
968	D	25.2	Very low	23.1	Very low	153 Å²	153	128.3 Å²	128.3	82%	0.818	78%	0.776	S	S	*	*			trans	-152.7	128.2	131.1	-86.3	-44.6	0	0	0	104.9
969	T	21.2	Very low	23.2	Very low	122 Å²	122	129.8 Å²	129.8	75%	0.748	78%	0.775	S	S	*	*			cis	86	73.9	33.5	71	0	0	0	0	116.7
970	S	27.1	Very low	23.1	Very low	124 Å²	124	131.5 Å²	131.5	87%	0.867	78%	0.776	S	S	*	*			trans	-133.4	125.8	154.6	64.2	0	0	0	0	111.6
971	S	25	Very low	23.1	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	78%	0.776	S	S	*	*			trans	-68.3	139.6	-164.9	53.6	0	0	0	0	117.8
972	T	22.4	Very low	22.8	Very low	120 Å²	120	135.9 Å²	135.9	74%	0.736	78%	0.779	S	S	*	*				54	112.7	126.2	-46.5	0	0	0	0	120.2
973	L	23.9	Very low	22.8	Very low	162 Å²	162	135 Å²	135	85%	0.848	78%	0.775	S	S	*	*				-158.5	97.9	129.1	-113.6	167.6	0	0	0	111.7
974	T	21.1	Very low	22.7	Very low	118 Å²	118	135.7 Å²	135.7	72%	0.724	77%	0.77	S	S	*	*			trans	-95.5	119.7	174.4	47.4	0	0	0	0	110.7
975	T	24.8	Very low	22.6	Very low	130 Å²	130	138 Å²	138	80%	0.798	77%	0.774	S	S	*	*			trans	-116.7	109.2	165.6	49.4	0	0	0	0	109.9
976	N	20.9	Very low	22.5	Very low	130 Å²	130	139.4 Å²	139.4	70%	0.695	77%	0.774	S	S	*	*			trans	-70.9	137.9	-176.8	-54.7	-41.9	0	0	0	111.7
977	Y	21.8	Very low	22.4	Very low	233 Å²	233	139 Å²	139	91%	0.914	77%	0.773	S	S	*	*			trans	-134	118.8	139.4	-95.1	-79.6	0	0	0	108.6
978	S	19.5	Very low	22.5	Very low	94 Å²	94	136.8 Å²	136.8	66%	0.657	77%	0.767	S	S	*	*			trans	-143	107.1	-176.4	-55.3	0	0	0	0	110.3
979	T	22.8	Very low	22.3	Very low	130 Å²	130	135.7 Å²	135.7	80%	0.798	76%	0.76	S	S	*	*			trans	-141.1	99	166.9	46.5	0	0	0	0	105.9
980	N	20.3	Very low	22.4	Very low	144 Å²	144	135.4 Å²	135.4	77%	0.77	76%	0.76	S	S	*	*				50.2	101.4	82.3	-68.3	-17.2	0	0	0	112.8
981	I	22.6	Very low	22.1	Very low	159 Å²	159	140.3 Å²	140.3	82%	0.815	76%	0.76	S	S	*	*				-174.4	137.7	104.3	-91.9	157.2	0	0	0	109.7
982	L	18.4	Very low	22.1	Very low	159 Å²	159	142.4 Å²	142.4	83%	0.832	76%	0.762	S	S	*	*			trans	-94.7	133.7	164.6	-80.9	157.9	0	0	0	109.3
983	P	21.3	Very low	22	Very low	106 Å²	106	142.4 Å²	142.4	69%	0.688	77%	0.767	S	S	*	*			trans	-97	127.6	144	32.4	-24.9	0	0	0	109.2
984	N	20.4	Very low	21.9	Very low	133 Å²	133	139.1 Å²	139.1	71%	0.711	76%	0.758	S	S	*	*			trans	-126.2	75	178.3	-177.6	30.9	0	0	0	109.1	N986	N984-N986 PolarHBondContact O-N 2.95Å
985	D	25.9	Very low	22.2	Very low	155 Å²	155	141.8 Å²	141.8	83%	0.829	77%	0.767	S	S	*	*			trans	-83.7	102.7	-174.7	-78.9	-46.6	0	0	0	112
986	N	19.5	Very low	22	Very low	126 Å²	126	143 Å²	143	67%	0.674	77%	0.767	S	S	*	*			trans	-75	139.3	158.5	-69.4	-90.4	0	0	0	109.3	N984	N984-N986 PolarHBondContact O-N 2.95Å
987	N	24.6	Very low	22.2	Very low	142 Å²	142	145 Å²	145	76%	0.759	77%	0.772	S	S	*	*			trans	-172.2	132.5	138.6	-100	-49.1	0	0	0	113.5
988	N	24.1	Very low	22.4	Very low	124 Å²	124	143 Å²	143	66%	0.663	77%	0.768	S	S	*	*			trans	50.2	124.8	148.6	-53.4	-37.2	0	0	0	120.3
989	I	20.7	Very low	22.6	Very low	130 Å²	130	145.1 Å²	145.1	67%	0.667	77%	0.772	S	S	*	*				62.9	124.2	58.9	-57.5	169.7	0	0	0	110.2
990	P	24	Very low	22.5	Very low	117 Å²	117	150.5 Å²	150.5	76%	0.76	78%	0.778	S	S	*	*			cis	-109.9	169.7	32	6.4	17.9	0	0	0	114.4
991	R	19.8	Very low	22.8	Very low	227 Å²	227	151.6 Å²	151.6	86%	0.857	78%	0.778	S	S	*	*			cis	62.3	79.2	16.6	-82.3	-166	179.7	147.2	3.4	117.3
992	D	24.3	Very low	23	Very low	151 Å²	151	151.7 Å²	151.7	81%	0.807	78%	0.775	S	S	*	*			trans	-104	151.1	143.8	-155.8	-32.3	0	0	0	108.9
993	S	20.5	Very low	23.1	Very low	120 Å²	120	154.4 Å²	154.4	84%	0.839	77%	0.774	S	S	*	*			trans	-152.6	66.7	-178	68.8	0	0	0	0	112.5
994	S	22.9	Very low	23.2	Very low	94 Å²	94	155.5 Å²	155.5	66%	0.657	78%	0.775	S	S	*	*			trans	-142.2	143.4	153.4	63.5	0	0	0	0	107.5
995	L	26.8	Very low	23.5	Very low	174 Å²	174	154.7 Å²	154.7	91%	0.911	78%	0.78	S	S	*	*			cis	-125	141.8	36.1	-72.3	153.1	0	0	0	114.1
996	L	21.2	Very low	23.3	Very low	155 Å²	155	155 Å²	155	81%	0.812	78%	0.778	S	S	*	*			trans	-89.8	145.3	169.7	-94.7	154.8	0	0	0	111.4
997	H	24.3	Very low	23.5	Very low	171 Å²	171	158.6 Å²	158.6	79%	0.792	79%	0.788	S	S	*	*			trans	61.8	114.9	153.5	-88.8	46.2	0	0	0	119.4
998	K	26.5	Very low	23.6	Very low	193 Å²	193	157.7 Å²	157.7	84%	0.839	79%	0.788	S	S	*	*				-157.4	134.7	118.3	-103.3	151.7	-173.6	175	0	111
999	N	24	Very low	23.8	Very low	138 Å²	138	158.4 Å²	158.4	74%	0.738	80%	0.796	S	S	*	*			trans	31.7	121.7	152.3	-46.6	-14.8	0	0	0	118.2
1000	R	19.8	Very low	24.2	Very low	243 Å²	243	159 Å²	159	92%	0.917	80%	0.801	S	S	*	*			cis	69.3	63.9	17.1	-149.5	-174.2	-162.5	-156.6	5.4	116.9
1001	Q	27.4	Very low	24.4	Very low	167 Å²	167	160.1 Å²	160.1	78%	0.78	80%	0.801	S	S	*	*			trans	177.8	136.9	161.6	-107.7	172.9	79.7	0	0	106.2
1002	Q	27	Very low	24.7	Very low	160 Å²	160	159 Å²	159	75%	0.748	80%	0.803	S	S	*	*			cis	-130.7	170.5	-6.5	-63.6	156.3	5.1	0	0	105.7
1003	R	19.7	Very low	24.8	Very low	216 Å²	216	159.1 Å²	159.1	82%	0.815	80%	0.802	S	S	*	*			cis	54.7	125.7	49.2	-75.4	-155.9	-179.9	162.7	-0.9	113.3
1004	D	23.6	Very low	25	Very low	130 Å²	130	162 Å²	162	70%	0.695	80%	0.802	S	S	*	*			cis	-145.7	-170.9	4.3	-76.8	-50	0	0	0	110.6
1005	S	26.1	Very low	25.1	Very low	116 Å²	116	164.2 Å²	164.2	81%	0.811	81%	0.805	S	S	*	*			trans	65.6	121.3	-178.5	48.2	0	0	0	0	116.3
1006	M	22.5	Very low	25.1	Very low	162 Å²	162	162 Å²	162	80%	0.798	80%	0.799	S	S	*	*				81.3	86.3	56	-168	179.8	120.7	0	0	111.4
1007	F	23.1	Very low	25.4	Very low	201 Å²	201	162 Å²	162	88%	0.882	80%	0.799	S	S	*	*				60.9	91.8	91.9	-83.4	-72	0	0	0	114.2
1008	T	27.4	Very low	25.5	Very low	123 Å²	123	157.7 Å²	157.7	76%	0.755	79%	0.789	S	S	*	*			trans	-138.2	138.4	152.5	44.8	0	0	0	0	108.4	N1010	T1008-N1010 PolarHBondContact O-N 3.49Å
1009	T	28.5	Very low	25.6	Very low	138 Å²	138	155.8 Å²	155.8	85%	0.847	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	108.1	-176.3	45.9	0	0	0	0	111.8
1010	N	28.9	Very low	25.8	Very low	144 Å²	144	153.8 Å²	153.8	77%	0.77	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.1	-22.9	156.3	-97.9	-21.7	0	0	0	113.2	T1008 F1012	T1008-N1010 PolarHBondContact O-N 3.49Å; N1010-F1012 PolarHBondContact O-N 2.96Å
1011	D	28	Very low	26.3	Very low	140 Å²	140	150.5 Å²	150.5	75%	0.749	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	16.2	-174.6	-54.2	-11.8	0	0	0	116.3
1012	F	26.3	Very low	26.5	Very low	204 Å²	204	149.3 Å²	149.3	90%	0.895	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-3.4	-176.8	-114.2	-79.6	0	0	0	115	N1010	N1010-F1012 PolarHBondContact O-N 2.96Å
1013	I	26.1	Very low	26.6	Very low	153 Å²	153	148.8 Å²	148.8	79%	0.785	78%	0.778	S	S	*	*	S	Bend	trans	-107.4	-21.5	-175.3	-67.1	179.7	0	0	0	113.2
1014	E	25.9	Very low	26.8	Very low	181 Å²	181	145 Å²	145	85%	0.846	77%	0.771	S	S	*	*	S	Bend	trans	-106	27.6	-170.7	-151.1	172.4	-158.9	0	0	114.8
1015	L	24.4	Very low	27	Very low	140 Å²	140	145.5 Å²	145.5	73%	0.733	77%	0.767	S	S	*	*	S	Bend	trans	-128.8	24.3	-176.9	-120.6	162.5	0	0	0	114.9
1016	V	27.4	Very low	27.2	Very low	128 Å²	128	147.5 Å²	147.5	78%	0.776	76%	0.763	S	S	*	*	S	Bend	trans	-111.3	-13.2	169.4	-177.1	0	0	0	0	112	S1018	V1016-S1018 PolarHBondContact O-N 2.92Å
1017	N	26.7	Very low	27.5	Very low	153 Å²	153	147 Å²	147	82%	0.818	76%	0.757	S	S	*	*	S	Bend	trans	-101	51.9	-175.5	-72.3	-14.8	0	0	0	113.4
1018	S	26.7	Very low	27.7	Very low	81 Å²	81	141 Å²	141	57%	0.566	74%	0.737	S	S	*	*	S	Bend	trans	-150.4	156	167.3	50.6	0	0	0	0	112.8	V1016	V1016-S1018 PolarHBondContact O-N 2.92Å
1019	D	27.1	Very low	27.8	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	72%	0.722	S	S	*	*	S	Bend	trans	78.1	20	169.3	-63.1	-2.6	0	0	0	120.5
1020	S	28.6	Very low	27.9	Very low	96 Å²	96	137.2 Å²	137.2	67%	0.671	71%	0.71	S	S	*	*	S	Bend	trans	-118.7	-22.7	165.2	67.1	0	0	0	0	116.9	I1022	S1020-I1022 PolarHBondContact O-N 3.07Å
1021	E	30.5	Very low	27.9	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	70%	0.7	S	S	*	*	H	α-helix	trans	-73.3	-23	-172.2	-72.5	-157	121.7	0	0	115.5	I1023	E1021-I1023 VanDerWaalsContact C-N 3.35Å; E1021-I1023 PolarHBondContact O-N 2.8Å
1022	I	31.5	Very low	28	Very low	143 Å²	143	134.7 Å²	134.7	73%	0.733	69%	0.691	S	S	*	*	H	α-helix	trans	-73.1	-25.1	-170.3	-65	177.2	0	0	0	112.8	S1020	S1020-I1022 PolarHBondContact O-N 3.07Å
1023	I	28.5	Very low	28.1	Very low	148 Å²	148	131.8 Å²	131.8	76%	0.759	68%	0.68	S	S	*	*	H	α-helix	trans	-88.1	-29.8	-170.6	-63.9	178.7	0	0	0	113.2	E1021	E1021-I1023 VanDerWaalsContact C-N 3.35Å; E1021-I1023 PolarHBondContact O-N 2.8Å
1024	M	25.9	Very low	28.3	Very low	138 Å²	138	132.2 Å²	132.2	68%	0.68	68%	0.679	S	S	*	*	H	α-helix	trans	-81.9	-25.6	-176.6	-73.1	-66.4	-74	0	0	113.9	H1026 K1027	M1024-H1026 PolarHBondContact O-N 3.24Å; M1024-K1027 PolarHBondContact O-N 3.42Å
1025	K	27.8	Very low	28.3	Very low	140 Å²	140	133.2 Å²	133.2	61%	0.609	68%	0.677	S	S	*	*	H	α-helix	trans	-62.3	-37.1	-170.6	-159.6	166.6	-172.3	168.4	0	114	K1027 T1028	K1025-K1027 VanDerWaalsContact C-N 3.28Å; K1025-K1027 PolarHBondContact O-N 2.75Å; K1025-T1028 PolarHBondContact O-OG1 3.32Å
1026	H	28.9	Very low	28.3	Very low	158 Å²	158	133.7 Å²	133.7	73%	0.731	67%	0.673	S	S	*	*	H	α-helix	trans	-80.5	6.3	-177.1	-80	-45.2	0	0	0	115.9	M1024 E1029	M1024-H1026 PolarHBondContact O-N 3.24Å; H1026-E1029 IonicContact ND1-OE2 2.66Å
1027	K	28.4	Very low	28.5	Very low	152 Å²	152	136 Å²	136	66%	0.661	68%	0.675	S	S	*	*	H	α-helix	trans	-106.1	-27.4	176.7	-157.7	175.9	-180	-172.2	0	114	M1024 K1025 S1030	M1024-K1027 PolarHBondContact O-N 3.42Å; K1025-K1027 VanDerWaalsContact C-N 3.28Å; K1025-K1027 PolarHBondContact O-N 2.75Å; K1027-S1030 PolarHBondContact O-OG 3.43Å; K1027-S1030 VanDerWaalsContact O-OG 3.13Å
1028	T	27.3	Very low	28.5	Very low	74 Å²	74	136.6 Å²	136.6	45%	0.454	68%	0.678	S	S	.	*	H	α-helix	trans	-84.6	-29.4	-179.8	47.5	0	0	0	0	113.4	K1025 S1030 E1031 I1032	K1025-T1028 PolarHBondContact O-OG1 3.32Å; T1028-S1030 VanDerWaalsContact C-N 3.28Å; T1028-S1030 PolarHBondContact O-N 2.85Å; T1028-E1031 PolarHBondContact O-N 3.26Å; T1028-E1031 VanDerWaalsContact O-N 3.15Å; T1028-I1032 PolarHBondContact O-N 3.06Å
1029	E	29.4	Very low	28.3	Very low	98 Å²	98	139.8 Å²	139.8	46%	0.458	69%	0.689	S	S	.	*	H	α-helix	trans	-62	-34.6	-178.3	-69.3	174.7	160.6	0	0	112.3	H1026 E1031	H1026-E1029 IonicContact ND1-OE2 2.66Å; E1029-E1031 VanDerWaalsContact C-N 3.32Å; E1029-E1031 PolarHBondContact O-N 3.19Å
1030	S	31.4	Very low	28.2	Very low	83 Å²	83	139.7 Å²	139.7	58%	0.58	69%	0.688	S	S	*	*	H	α-helix	trans	-71.7	-17.9	177.1	47.7	0	0	0	0	115.2	K1027 T1028	K1027-S1030 PolarHBondContact O-OG 3.43Å; K1027-S1030 VanDerWaalsContact O-OG 3.13Å; T1028-S1030 VanDerWaalsContact C-N 3.28Å; T1028-S1030 PolarHBondContact O-N 2.85Å
1031	E	29.1	Very low	27.9	Very low	122 Å²	122	142.2 Å²	142.2	57%	0.57	69%	0.693	S	S	*	*	H	α-helix	trans	-94.6	-24.4	-178.6	-64.3	-179.2	168.5	0	0	111.6	T1028 E1029	T1028-E1031 PolarHBondContact O-N 3.26Å; T1028-E1031 VanDerWaalsContact O-N 3.15Å; E1029-E1031 VanDerWaalsContact C-N 3.32Å; E1029-E1031 PolarHBondContact O-N 3.19Å
1032	I	29.2	Very low	27.5	Very low	110 Å²	110	141.3 Å²	141.3	56%	0.564	69%	0.693	S	S	*	*	H	α-helix	trans	-76	-29.7	-179.8	-67.1	169.3	0	0	0	112.4	T1028 Q1034 Y1035	T1028-I1032 PolarHBondContact O-N 3.06Å; I1032-Q1034 PolarHBondContact O-N 3.21Å; I1032-Y1035 PolarHBondContact O-N 2.75Å
1033	E	30	Very low	27	Very low	142 Å²	142	142.1 Å²	142.1	66%	0.664	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-67.1	-24.5	177.3	-63.9	-152.2	120.1	0	0	113.3	Y1035	E1033-Y1035 VanDerWaalsContact C-N 3.26Å; E1033-Y1035 PolarHBondContact O-N 2.75Å
1034	Q	28.4	Very low	26.7	Very low	162 Å²	162	142.2 Å²	142.2	76%	0.757	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-74	-11.5	-177.3	-163.9	166.2	14.5	0	0	114.2	I1032	I1032-Q1034 PolarHBondContact O-N 3.21Å
1035	Y	26.8	Very low	26.5	Very low	202 Å²	202	141.1 Å²	141.1	79%	0.792	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-108.8	6.4	-176.1	-77.4	-81.4	0	0	0	115.2	I1032 E1033 E1037	I1032-Y1035 PolarHBondContact O-N 2.75Å; E1033-Y1035 VanDerWaalsContact C-N 3.26Å; E1033-Y1035 PolarHBondContact O-N 2.75Å; Y1035-E1037 PolarHBondContact O-N 2.86Å
1036	K	25.4	Very low	26.4	Very low	150 Å²	150	140.4 Å²	140.4	65%	0.652	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-4	-176.2	-81.7	179.7	177.3	168.2	0	116.4
1037	E	30.1	Very low	26	Very low	177 Å²	177	139.5 Å²	139.5	83%	0.827	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-7.2	-163.1	-142.6	171	-149.2	0	0	116.4	Y1035	Y1035-E1037 PolarHBondContact O-N 2.86Å
1038	N	27	Very low	25.8	Very low	165 Å²	165	139.4 Å²	139.4	88%	0.882	71%	0.71	S	S	*	*			trans	-100.2	98.4	174	-78.4	-32.2	0	0	0	111.4
1039	N	23.8	Very low	25.8	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	73%	0.729	S	S	*	*			trans	-73.5	128.5	172.7	-67.2	-89.1	0	0	0	110.8
1040	D	23.4	Very low	25.5	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	74%	0.743	S	S	*	*			trans	-151.9	112.5	148.7	-109.1	-32.7	0	0	0	112.9
1041	I	23.5	Very low	25.2	Very low	149 Å²	149	148.8 Å²	148.8	76%	0.764	75%	0.753	S	S	*	*			trans	66	98.7	153	-48.8	-178.2	0	0	0	119.6
1042	L	21.7	Very low	25.1	Very low	156 Å²	156	150.1 Å²	150.1	82%	0.817	76%	0.764	S	S	*	*			trans	18.1	120.9	144.1	-90.4	65.8	0	0	0	120.4
1043	L	22.1	Very low	24.9	Very low	159 Å²	159	150.3 Å²	150.3	83%	0.832	77%	0.77	S	S	*	*			trans	-67.3	144.4	140.8	-69.2	161.2	0	0	0	109.8
1044	I	21.9	Very low	24.7	Very low	151 Å²	151	150.9 Å²	150.9	77%	0.774	78%	0.778	S	S	*	*			trans	-92	112	166.6	-65.4	177.6	0	0	0	107.7	C1046	I1044-C1046 PolarHBondContact O-N 2.68Å
1045	N	20.7	Very low	24.6	Very low	114 Å²	114	152 Å²	152	61%	0.61	78%	0.783	S	S	*	*			trans	-67.7	127.1	167.6	-79.4	11.1	0	0	0	109.8	E1047	N1045-E1047 HydrophobicContact CB-CG 4.18Å; N1045-E1047 PolarHBondContact ND2-OE1 3.08Å
1046	C	25.1	Very low	24.9	Very low	126 Å²	126	148 Å²	148	85%	0.851	79%	0.785	S	S	*	*			trans	-106.9	94.3	155.4	-68.2	0	0	0	0	107.2	I1044	I1044-C1046 PolarHBondContact O-N 2.68Å
1047	E	22	Very low	25.1	Very low	139 Å²	139	146.6 Å²	146.6	65%	0.65	79%	0.793	S	S	*	*			trans	-77.3	168.6	178.8	-76.6	152.2	-162.1	0	0	112	N1045	N1045-E1047 HydrophobicContact CB-CG 4.18Å; N1045-E1047 PolarHBondContact ND2-OE1 3.08Å
1048	N	24	Very low	24.9	Very low	150 Å²	150	145.3 Å²	145.3	80%	0.802	79%	0.792	S	S	*	*			trans	78.8	121.2	-173.3	-36.8	-66.9	0	0	0	113.4
1049	D	26.1	Very low	24.8	Very low	162 Å²	162	145.5 Å²	145.5	87%	0.866	79%	0.793	S	S	*	*			cis	-129.4	165.5	17.2	-86.3	-45.5	0	0	0	114.4
1050	D	23.6	Very low	24.8	Very low	141 Å²	141	144.4 Å²	144.4	75%	0.754	79%	0.792	S	S	*	*			trans	-84.9	158.3	-172.1	-67.5	-57	0	0	0	115.8
1051	N	26.1	Very low	24.9	Very low	148 Å²	148	143.5 Å²	143.5	79%	0.791	79%	0.786	S	S	*	*			trans	79.1	123.2	165.6	-47.7	-76.5	0	0	0	115.4
1052	L	26.4	Very low	24.8	Very low	150 Å²	150	145 Å²	145	79%	0.785	79%	0.79	S	S	*	*			cis	-152.2	138.9	26.4	-103.8	130.3	0	0	0	113.9
1053	T	25.2	Very low	25	Very low	114 Å²	114	141.9 Å²	141.9	70%	0.699	77%	0.773	S	S	*	*			trans	35.4	107.9	148.2	53	0	0	0	0	121.3
1054	N	25.1	Very low	24.9	Very low	154 Å²	154	143 Å²	143	82%	0.824	77%	0.774	S	S	*	*				26.7	103.6	125.4	-57.5	-2	0	0	0	118.7
1055	E	27.2	Very low	25.1	Very low	187 Å²	187	141 Å²	141	87%	0.874	77%	0.768	S	S	*	*				-169.9	152.3	116.3	-104.8	165.4	-151.1	0	0	111.1
1056	S	32.1	Very low	25.1	Very low	118 Å²	118	143 Å²	143	83%	0.825	78%	0.777	S	S	*	*			trans	48.2	88.8	175.7	60.2	0	0	0	0	118.4
1057	S	29.1	Very low	25	Very low	119 Å²	119	142 Å²	142	83%	0.832	77%	0.772	S	S	*	*			trans	-120.4	76.2	164.4	51.3	0	0	0	0	112.3
1058	N	27.1	Very low	25.2	Very low	150 Å²	150	141 Å²	141	80%	0.802	78%	0.78	S	S	*	*			trans	-65.2	143.4	165.5	-86.2	-35.7	0	0	0	110.3	T1060	N1058-T1060 PolarHBondContact O-N 3.19Å; N1058-T1060 PolarHBondContact O-OG1 3.43Å
1059	N	25.6	Very low	25.3	Very low	170 Å²	170	140 Å²	140	91%	0.909	78%	0.775	S	S	*	*			trans	-50.8	86.1	-171.3	-70.8	-36.4	0	0	0	114.5
1060	T	23.7	Very low	25.1	Very low	124 Å²	124	140.5 Å²	140.5	76%	0.761	77%	0.769	S	S	*	*			trans	-110.2	111	176.8	-52.6	0	0	0	0	107.5	N1058 E1062	N1058-T1060 PolarHBondContact O-N 3.19Å; N1058-T1060 PolarHBondContact O-OG1 3.43Å; T1060-E1062 PolarHBondContact O-N 3.36Å
1061	I	24.7	Very low	25.4	Very low	132 Å²	132	141.5 Å²	141.5	68%	0.677	78%	0.775	S	S	*	*			trans	-85.6	97.3	-178.5	-56.4	175.9	0	0	0	108.1	I1063	I1061-I1063 HydrophobicContact CG2-CG1 4.2Å; I1061-I1063 PolarHBondContact O-N 3.18Å
1062	E	21.4	Very low	25.7	Very low	182 Å²	182	139.4 Å²	139.4	85%	0.85	77%	0.769	S	S	*	*			trans	-74.8	120.5	166	-68.6	-164	124	0	0	109.8	T1060	T1060-E1062 PolarHBondContact O-N 3.36Å
1063	I	24.9	Very low	25.6	Very low	89 Å²	89	138.8 Å²	138.8	46%	0.456	77%	0.765	S	S	.	*			trans	-95.4	100.4	177.7	-59.6	169.1	0	0	0	107.4	I1061	I1061-I1063 HydrophobicContact CG2-CG1 4.2Å; I1061-I1063 PolarHBondContact O-N 3.18Å
1064	Q	21.6	Very low	25.7	Very low	182 Å²	182	142 Å²	142	85%	0.85	77%	0.772	S	S	*	*			trans	-91.2	106.1	-177.6	-156.1	172.3	43.2	0	0	110.4	I1066	Q1064-I1066 PolarHBondContact O-N 3.25Å
1065	V	24.9	Very low	25.7	Very low	109 Å²	109	143 Å²	143	66%	0.661	77%	0.772	S	S	*	*			trans	-73.7	119.8	-175.8	-179	0	0	0	0	110.5
1066	I	21.8	Very low	26	Very low	156 Å²	156	141.7 Å²	141.7	80%	0.8	77%	0.771	S	S	*	*			trans	-92.6	111.3	176.9	-57.4	179.2	0	0	0	109.7	Q1064	Q1064-I1066 PolarHBondContact O-N 3.25Å
1067	S	23.4	Very low	26.2	Very low	106 Å²	106	143.6 Å²	143.6	74%	0.741	77%	0.772	S	S	*	*			trans	-68.6	143.7	174.3	-45.5	0	0	0	0	112
1068	S	25.8	Very low	26.9	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	76%	0.755	S	S	*	*			trans	-143.1	148	167.6	51.4	0	0	0	0	111.8
1069	D	25	Very low	27.3	Very low	128 Å²	128	142.2 Å²	142.2	68%	0.684	76%	0.755	S	S	*	*			trans	-78.1	137.7	-163.6	-85.8	-81.4	0	0	0	115.8
1070	K	23.4	Very low	28.1	Very low	173 Å²	173	137.7 Å²	137.7	75%	0.752	73%	0.731	S	S	*	*			trans	41.7	124.6	132.7	-55.9	177.5	-178	104.7	0	120.3
1071	D	28.9	Very low	29	Very low	162 Å²	162	139.2 Å²	139.2	87%	0.866	73%	0.734	S	S	*	*				-159.5	166.2	109.5	-106.2	-12.3	0	0	0	110.9
1072	P	31.9	Very low	30.1	Very low	105 Å²	105	136.4 Å²	136.4	68%	0.682	72%	0.721	S	S	*	*			trans	-120.6	-172.4	-149.7	39.4	-26.9	0	0	0	117.1
1073	I	23.9	Very low	31.2	Very low	136 Å²	136	133.2 Å²	133.2	70%	0.697	71%	0.71	S	S	*	*			trans	95.5	98.1	165.4	-50.3	160.3	0	0	0	116.2
1074	H	28.6	Very low	32.5	Very low	183 Å²	183	135.6 Å²	135.6	85%	0.847	72%	0.723	S	S	*	*				-156.7	155.9	100.2	-106.7	-71.1	0	0	0	110.9
1075	E	25.1	Very low	34.5	Very low	173 Å²	173	129 Å²	129	81%	0.808	69%	0.694	S	S	*	*			trans	-97.6	166.6	-171.8	-62.6	166.6	138	0	0	112.3
1076	D	33.3	Very low	36.5	Very low	160 Å²	160	128.1 Å²	128.1	86%	0.856	69%	0.685	S	S	*	*			trans	84.7	124.4	177.4	-59.5	-26	0	0	0	119.3
1077	D	36.9	Very low	38.8	Very low	159 Å²	159	121 Å²	121	85%	0.85	65%	0.649	S	S	*	*	S	Bend	trans	70.3	134	169.4	-72	-15	0	0	0	121.4
1078	D	43.2	Very low	41.2	Very low	90 Å²	90	118.9 Å²	118.9	48%	0.481	63%	0.631	S	S	.	*			trans	63.6	107.8	177.3	-64.4	-27	0	0	0	116.4	D1080 K1168	D1078-D1080 PolarHBondContact O-N 3.39Å; D1078-K1168 IonicContact OD2-NZ 2.78Å; D1078-K1168 PolarHBondContact OD2-NZ 3.24Å
1079	D	35.9	Very low	43.4	Very low	150 Å²	150	116.1 Å²	116.1	80%	0.802	61%	0.61	S	S	*	*			trans	-63.5	96.6	174.3	-65.8	-71.7	0	0	0	112.2	D1081	D1079-D1081 PolarHBondContact O-N 3.16Å
1080	D	42.9	Very low	45.7	Very low	75 Å²	75	111 Å²	111	40%	0.401	58%	0.582	S	S	.	*			trans	-81.4	50.4	-174.5	-133.1	16.8	0	0	0	112.5	D1078 D1082 R1132	D1078-D1080 PolarHBondContact O-N 3.39Å; D1080-D1082 PolarHBondContact O-N 3.5Å; D1080-R1132 IonicContact OD1-NH1 3.57Å; D1080-R1132 PolarHBondContact OD1-NH1 2.87Å; D1080-R1132 IonicContact OD2-CZ 2.77Å; D1080-R1132 VanDerWaalsContact OD2-CZ 3.25Å; D1080-R1132 IonicContact OD2-NH1 3.24Å; D1080-R1132 PolarHBondContact OD2-NH1 3.34Å; D1080-R1132 IonicContact OD2-NH2 3.28Å; D1080-R1132 PolarHBondContact OD2-NH2 2.9Å
1081	D	42.2	Very low	48	Very low	155 Å²	155	103.1 Å²	103.1	83%	0.829	55%	0.549	S	S	*	.			trans	-73.1	35.8	179.4	-149.1	31.9	0	0	0	112.5	D1079	D1079-D1081 PolarHBondContact O-N 3.16Å
1082	D	47.3	Very low	50.1	Low	73 Å²	73	101 Å²	101	39%	0.39	53%	0.534	S	S	.	.			trans	-145.9	33.6	-178.5	-155.6	0.9	0	0	0	109.7	D1080 D1084 K1128	D1080-D1082 PolarHBondContact O-N 3.5Å; D1082-D1084 VanDerWaalsContact C-N 3.3Å; D1082-D1084 PolarHBondContact O-N 2.9Å; D1082-K1128 IonicContact OD1-NZ 3.88Å; D1082-K1128 PolarHBondContact OD1-NZ 3.27Å; D1082-K1128 IonicContact OD2-NZ 3.75Å; D1082-K1128 PolarHBondContact OD2-NZ 3.09Å
1083	N	45.2	Very low	51.8	Low	116 Å²	116	99.1 Å²	99.1	62%	0.62	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.3	-166.1	-124.4	-28.3	0	0	0	114.6	I1085	N1083-I1085 PolarHBondContact O-N 3.11Å
1084	D	52.5	Low	53.9	Low	139 Å²	139	94.2 Å²	94.2	74%	0.743	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.4	-167.4	-85.6	-30.2	0	0	0	115.8	D1082 N1086	D1082-D1084 VanDerWaalsContact C-N 3.3Å; D1082-D1084 PolarHBondContact O-N 2.9Å; D1084-N1086 PolarHBondContact O-N 2.66Å
1085	I	61.6	Low	55.7	Low	44 Å²	44	88.2 Å²	88.2	23%	0.226	46%	0.464	C	S	.	.			trans	-87.5	92.3	179.3	-61.3	-179.1	0	0	0	110.5	N1083 V1087 Y1125 K1128	N1083-I1085 PolarHBondContact O-N 3.11Å; I1085-V1087 PolarHBondContact O-N 2.84Å; I1085-Y1125 HydrophobicContact CD1-CD1 3.96Å; I1085-Y1125 HydrophobicContact CD1-CE1 4.41Å; I1085-K1128 HydrophobicContact CD1-CB 3.76Å; I1085-K1128 HydrophobicContact CD1-CD 3.54Å; I1085-K1128 HydrophobicContact CD1-CG 4.27Å
1086	N	68.8	Low	57.6	Low	89 Å²	89	84.2 Å²	84.2	48%	0.476	45%	0.448	S	S	.	.			trans	-69	95.4	163.1	-175.9	-0.5	0	0	0	110.1	D1084 T1088 T1089 L1090	D1084-N1086 PolarHBondContact O-N 2.66Å; N1086-T1088 PolarHBondContact ND2-OG1 2.85Å; N1086-T1088 PolarHBondContact O-N 2.75Å; N1086-T1088 VanDerWaalsContact O-N 3.09Å; N1086-T1088 PolarHBondContact OD1-N 2.73Å; N1086-T1088 PolarHBondContact OD1-OG1 2.86Å; N1086-T1089 PolarHBondContact ND2-OG1 3.32Å; N1086-T1089 PolarHBondContact O-N 2.95Å; N1086-L1090 PolarHBondContact O-N 3.11Å
1087	V	70	Confident	58.8	Low	8 Å²	8	81.4 Å²	81.4	5%	0.048	43%	0.433	C	S	.	.	H	α-helix	trans	-52.4	-32.2	177.6	-172.7	0	0	0	0	112.2	I1085 V1091 A1129 R1132 A1133	I1085-V1087 PolarHBondContact O-N 2.84Å; V1087-V1091 HydrophobicContact CG1-CG2 4.29Å; V1087-V1091 WeakPolarHBondContact O-CB 3.33Å; V1087-V1091 WeakPolarHBondContact O-CG2 3.49Å; V1087-V1091 PolarHBondContact O-N 3.1Å; V1087-A1129 HydrophobicContact CG1-CB 4.42Å; V1087-R1132 HydrophobicContact CG2-CB 3.75Å; V1087-R1132 HydrophobicContact CG2-CG 3.71Å; V1087-A1133 HydrophobicContact CG1-CB 4.37Å
1088	T	72.7	Confident	59.4	Low	60 Å²	60	75 Å²	75	37%	0.368	40%	0.401	S	S	.	.	H	α-helix	trans	-71.7	-32.9	179.2	67.4	0	0	0	0	112.7	N1086 Q1092	N1086-T1088 PolarHBondContact ND2-OG1 2.85Å; N1086-T1088 PolarHBondContact O-N 2.75Å; N1086-T1088 VanDerWaalsContact O-N 3.09Å; N1086-T1088 PolarHBondContact OD1-N 2.73Å; N1086-T1088 PolarHBondContact OD1-OG1 2.86Å; T1088-Q1092 VanDerWaalsContact O-CB 3.3Å; T1088-Q1092 WeakPolarHBondContact O-CB 3.45Å; T1088-Q1092 WeakPolarHBondContact O-CG 3.31Å; T1088-Q1092 PolarHBondContact O-N 3.16Å
1089	T	72.4	Confident	59.3	Low	61 Å²	61	74.9 Å²	74.9	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-66.4	-50.7	173.9	-57	0	0	0	0	110.6	N1086 V1091 Q1092 E1093	N1086-T1089 PolarHBondContact ND2-OG1 3.32Å; N1086-T1089 PolarHBondContact O-N 2.95Å; T1089-V1091 VanDerWaalsContact C-N 3.32Å; T1089-V1091 PolarHBondContact O-N 2.88Å; T1089-Q1092 CarbonylContact O-C 3.59Å; T1089-Q1092 WeakPolarHBondContact O-CA 3.17Å; T1089-Q1092 WeakPolarHBondContact O-CB 3.3Å; T1089-Q1092 PolarHBondContact O-N 3.22Å; T1089-Q1092 VanDerWaalsContact O-N 3.09Å; T1089-E1093 PolarHBondContact O-N 2.93Å
1090	L	72.7	Confident	59.5	Low	21 Å²	21	75.3 Å²	75.3	11%	0.11	39%	0.394	C	S	.	.	H	α-helix	trans	-61.8	-40.4	179.3	-171.7	72.4	0	0	0	111.7	N1086 Q1092 E1093 I1094 A1129	N1086-L1090 PolarHBondContact O-N 3.11Å; L1090-Q1092 VanDerWaalsContact C-N 3.35Å; L1090-E1093 PolarHBondContact O-N 2.73Å; L1090-I1094 HydrophobicContact CG-CD1 4.17Å; L1090-I1094 VanDerWaalsContact O-CG1 3.3Å; L1090-I1094 WeakPolarHBondContact O-CG1 3.47Å; L1090-I1094 PolarHBondContact O-N 2.69Å; L1090-A1129 HydrophobicContact CD2-CB 3.66Å
1091	V	71.4	Confident	59.5	Low	7 Å²	7	74.3 Å²	74.3	4%	0.042	39%	0.393	C	S	.	.	H	α-helix	trans	-70.7	-29.9	176.2	169.9	0	0	0	0	111.9	V1087 T1089 N1095 H1141 L1144 L1145	V1087-V1091 HydrophobicContact CG1-CG2 4.29Å; V1087-V1091 WeakPolarHBondContact O-CB 3.33Å; V1087-V1091 WeakPolarHBondContact O-CG2 3.49Å; V1087-V1091 PolarHBondContact O-N 3.1Å; T1089-V1091 VanDerWaalsContact C-N 3.32Å; T1089-V1091 PolarHBondContact O-N 2.88Å; V1091-N1095 WeakPolarHBondContact O-CB 3.45Å; V1091-N1095 PolarHBondContact O-N 3.34Å; V1091-N1095 PolarHBondContact O-ND2 3.4Å; V1091-H1141 HydrophobicContact CG2-CB 4.42Å; V1091-L1144 HydrophobicContact CG1-CD1 4.17Å; V1091-L1144 HydrophobicContact CG1-CD2 4.03Å; V1091-L1144 HydrophobicContact CG2-CD2 4.25Å; V1091-L1145 HydrophobicContact CG2-CD1 4.26Å; V1091-L1145 HydrophobicContact CG2-CD2 4.24Å; V1091-L1145 HydrophobicContact CG2-CG 4.23Å
1092	Q	73.2	Confident	59.2	Low	118 Å²	118	72.5 Å²	72.5	55%	0.551	38%	0.378	S	S	*	.	H	α-helix	trans	-66.8	-40.4	168.5	-78.4	171.2	12.2	0	0	111.7	T1088 T1089 L1090 N1095 N1096	T1088-Q1092 VanDerWaalsContact O-CB 3.3Å; T1088-Q1092 WeakPolarHBondContact O-CB 3.45Å; T1088-Q1092 WeakPolarHBondContact O-CG 3.31Å; T1088-Q1092 PolarHBondContact O-N 3.16Å; T1089-Q1092 CarbonylContact O-C 3.59Å; T1089-Q1092 WeakPolarHBondContact O-CA 3.17Å; T1089-Q1092 WeakPolarHBondContact O-CB 3.3Å; T1089-Q1092 PolarHBondContact O-N 3.22Å; T1089-Q1092 VanDerWaalsContact O-N 3.09Å; L1090-Q1092 VanDerWaalsContact C-N 3.35Å; Q1092-N1095 CarbonylContact O-C 3.58Å; Q1092-N1095 PolarHBondContact O-N 3.01Å; Q1092-N1096 VanDerWaalsContact O-CB 3.32Å; Q1092-N1096 WeakPolarHBondContact O-CB 3.26Å; Q1092-N1096 PolarHBondContact O-N 2.87Å; Q1092-N1096 PolarHBondContact O-ND2 3.06Å
1093	E	67.6	Low	58.5	Low	64 Å²	64	76.1 Å²	76.1	30%	0.299	40%	0.397	S	S	.	.	H	α-helix	trans	-64	-46.5	175.4	-71.7	175.4	164.1	0	0	112.1	T1089 L1090 N1095 N1096 L1097	T1089-E1093 PolarHBondContact O-N 2.93Å; L1090-E1093 PolarHBondContact O-N 2.73Å; E1093-N1095 VanDerWaalsContact C-N 3.31Å; E1093-N1095 PolarHBondContact O-N 3.4Å; E1093-N1096 PolarHBondContact O-N 3.33Å; E1093-N1096 VanDerWaalsContact O-N 3.1Å; E1093-L1097 WeakPolarHBondContact O-CG 3.22Å; E1093-L1097 PolarHBondContact O-N 3.04Å
1094	I	68.6	Low	57.9	Low	33 Å²	33	80.2 Å²	80.2	17%	0.169	41%	0.406	C	S	.	.	H	α-helix	trans	-59.5	-42.6	173.9	-64.7	163.6	0	0	0	110.6	L1090 L1097 S1098 L1126 L1144 L1145 A1148	L1090-I1094 HydrophobicContact CG-CD1 4.17Å; L1090-I1094 VanDerWaalsContact O-CG1 3.3Å; L1090-I1094 WeakPolarHBondContact O-CG1 3.47Å; L1090-I1094 PolarHBondContact O-N 2.69Å; I1094-L1097 PolarHBondContact O-N 3.02Å; I1094-S1098 WeakPolarHBondContact O-CB 3.48Å; I1094-S1098 PolarHBondContact O-N 2.86Å; I1094-L1126 HydrophobicContact CD1-CD2 3.77Å; I1094-L1144 HydrophobicContact CB-CD2 4.3Å; I1094-L1144 HydrophobicContact CD1-CD2 4.43Å; I1094-L1144 HydrophobicContact CG2-CD2 3.78Å; I1094-L1145 HydrophobicContact CD1-CD2 3.84Å; I1094-A1148 HydrophobicContact CG2-CB 4.3Å
1095	N	66.1	Low	56.8	Low	57 Å²	57	82.5 Å²	82.5	31%	0.305	41%	0.411	S	S	.	.	H	α-helix	trans	-65.8	-36.2	174	-86.2	-71.1	0	0	0	112.9	V1091 Q1092 E1093 S1098 L1099 L1144	V1091-N1095 WeakPolarHBondContact O-CB 3.45Å; V1091-N1095 PolarHBondContact O-N 3.34Å; V1091-N1095 PolarHBondContact O-ND2 3.4Å; Q1092-N1095 CarbonylContact O-C 3.58Å; Q1092-N1095 PolarHBondContact O-N 3.01Å; E1093-N1095 VanDerWaalsContact C-N 3.31Å; E1093-N1095 PolarHBondContact O-N 3.4Å; N1095-S1098 CarbonylContact O-C 3.56Å; N1095-S1098 WeakPolarHBondContact O-CB 3.35Å; N1095-S1098 PolarHBondContact O-N 2.97Å; N1095-L1099 WeakPolarHBondContact O-CB 3.42Å; N1095-L1099 WeakPolarHBondContact O-CD1 3.49Å; N1095-L1099 WeakPolarHBondContact O-CG 3.42Å; N1095-L1099 PolarHBondContact O-N 3.17Å; N1095-L1144 VanDerWaalsContact ND2-CD1 3.27Å; N1095-L1144 WeakPolarHBondContact ND2-CD1 3.46Å
1096	N	64.8	Low	55.3	Low	89 Å²	89	84.8 Å²	84.8	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-70.3	-36.1	178.1	-74.8	-26.8	0	0	0	111.8	Q1092 E1093 L1099 K1100	Q1092-N1096 VanDerWaalsContact O-CB 3.32Å; Q1092-N1096 WeakPolarHBondContact O-CB 3.26Å; Q1092-N1096 PolarHBondContact O-N 2.87Å; Q1092-N1096 PolarHBondContact O-ND2 3.06Å; E1093-N1096 PolarHBondContact O-N 3.33Å; E1093-N1096 VanDerWaalsContact O-N 3.1Å; N1096-L1099 PolarHBondContact O-N 2.97Å; N1096-K1100 WeakPolarHBondContact O-CG 3.46Å; N1096-K1100 PolarHBondContact O-N 2.96Å
1097	L	58.4	Low	53.6	Low	101 Å²	101	88.6 Å²	88.6	53%	0.529	45%	0.451	S	S	.	.	H	α-helix	trans	-63.9	-44.8	169.3	-68	169.2	0	0	0	110.9	E1093 I1094 L1099 K1100 S1101	E1093-L1097 WeakPolarHBondContact O-CG 3.22Å; E1093-L1097 PolarHBondContact O-N 3.04Å; I1094-L1097 PolarHBondContact O-N 3.02Å; L1097-L1099 PolarHBondContact O-N 3.06Å; L1097-K1100 PolarHBondContact O-N 2.91Å; L1097-S1101 PolarHBondContact O-N 3.11Å
1098	S	49.1	Very low	51.8	Low	25 Å²	25	96.4 Å²	96.4	18%	0.175	49%	0.487	C	S	.	.	H	α-helix	trans	-61	-40.9	172.6	-177.5	0	0	0	0	112.7	I1094 N1095 S1101 K1102	I1094-S1098 WeakPolarHBondContact O-CB 3.48Å; I1094-S1098 PolarHBondContact O-N 2.86Å; N1095-S1098 CarbonylContact O-C 3.56Å; N1095-S1098 WeakPolarHBondContact O-CB 3.35Å; N1095-S1098 PolarHBondContact O-N 2.97Å; S1098-S1101 VanDerWaalsContact O-CB 3.28Å; S1098-S1101 WeakPolarHBondContact O-CB 3.42Å; S1098-S1101 PolarHBondContact O-N 3.44Å; S1098-S1101 VanDerWaalsContact O-N 3.13Å; S1098-K1102 PolarHBondContact O-N 2.93Å
1099	L	43	Very low	49.6	Very low	87 Å²	87	98.3 Å²	98.3	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-68	-37.8	178.9	-78	161.3	0	0	0	112.3	N1095 N1096 L1097 S1101 K1102	N1095-L1099 WeakPolarHBondContact O-CB 3.42Å; N1095-L1099 WeakPolarHBondContact O-CD1 3.49Å; N1095-L1099 WeakPolarHBondContact O-CG 3.42Å; N1095-L1099 PolarHBondContact O-N 3.17Å; N1096-L1099 PolarHBondContact O-N 2.97Å; L1097-L1099 PolarHBondContact O-N 3.06Å; L1099-S1101 PolarHBondContact O-N 3.21Å; L1099-K1102 HydrophobicContact CD2-CD 4.12Å; L1099-K1102 PolarHBondContact O-N 3.4Å
1100	K	39.1	Very low	47.5	Very low	160 Å²	160	103.6 Å²	103.6	70%	0.696	51%	0.511	S	S	*	.	H	α-helix	trans	-59	-34	170.2	-76.3	178.9	178.7	-179.6	0	111.9	N1096 L1097	N1096-K1100 WeakPolarHBondContact O-CG 3.46Å; N1096-K1100 PolarHBondContact O-N 2.96Å; L1097-K1100 PolarHBondContact O-N 2.91Å
1101	S	43.7	Very low	45.5	Very low	53 Å²	53	111.1 Å²	111.1	37%	0.371	55%	0.546	S	S	.	.	H	α-helix	trans	-69	-27	172.5	-171.5	0	0	0	0	113.8	L1097 S1098 L1099 N1103 Y1104	L1097-S1101 PolarHBondContact O-N 3.11Å; S1098-S1101 VanDerWaalsContact O-CB 3.28Å; S1098-S1101 WeakPolarHBondContact O-CB 3.42Å; S1098-S1101 PolarHBondContact O-N 3.44Å; S1098-S1101 VanDerWaalsContact O-N 3.13Å; L1099-S1101 PolarHBondContact O-N 3.21Å; S1101-N1103 VanDerWaalsContact C-N 3.26Å; S1101-N1103 PolarHBondContact O-N 2.79Å; S1101-Y1104 PolarHBondContact O-N 2.88Å; S1101-Y1104 VanDerWaalsContact O-N 3.14Å
1102	K	34.4	Very low	43.6	Very low	117 Å²	117	118.7 Å²	118.7	51%	0.509	58%	0.578	S	S	.	*	H	α-helix	trans	-74.6	-11	-177.5	-64.9	-178.1	-158.9	169.7	0	114.4	S1098 L1099 Y1104	S1098-K1102 PolarHBondContact O-N 2.93Å; L1099-K1102 HydrophobicContact CD2-CD 4.12Å; L1099-K1102 PolarHBondContact O-N 3.4Å; K1102-Y1104 PolarHBondContact O-N 3.07Å
1103	N	34.1	Very low	41.6	Very low	149 Å²	149	116.9 Å²	116.9	80%	0.797	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-10.6	168.7	-80.7	-2.5	0	0	0	112.8	S1101	S1101-N1103 VanDerWaalsContact C-N 3.26Å; S1101-N1103 PolarHBondContact O-N 2.79Å
1104	Y	32.2	Very low	40.1	Very low	203 Å²	203	120.2 Å²	120.2	80%	0.796	59%	0.591	S	S	*	*	S	Bend	trans	-89.4	122	159.7	-87.1	-97	0	0	0	109.6	S1101 K1102	S1101-Y1104 PolarHBondContact O-N 2.88Å; S1101-Y1104 VanDerWaalsContact O-N 3.14Å; K1102-Y1104 PolarHBondContact O-N 3.07Å
1105	H	28.3	Very low	38.6	Very low	187 Å²	187	123.5 Å²	123.5	87%	0.866	61%	0.608	S	S	*	*			trans	-63	152.7	179.2	-97.3	-78	0	0	0	112.6
1106	S	29.7	Very low	37.3	Very low	91 Å²	91	126.7 Å²	126.7	64%	0.636	63%	0.633	S	S	*	*	S	Bend	trans	94.3	130.9	171.4	80.3	0	0	0	0	117.2	Q1108	S1106-Q1108 VanDerWaalsContact C-N 3.32Å; S1106-Q1108 PolarHBondContact O-N 3.07Å; S1106-Q1108 VanDerWaalsContact O-N 3.07Å
1107	N	33.1	Very low	36.3	Very low	169 Å²	169	129.9 Å²	129.9	90%	0.904	65%	0.649	S	S	*	*	S	Bend	trans	-87.1	54.7	-169.2	-65.7	-36	0	0	0	112.8
1108	Q	33	Very low	36.3	Very low	173 Å²	173	127 Å²	127	81%	0.808	63%	0.634	S	S	*	*			trans	-120.8	5	-178.6	-82.6	-172.5	-30.3	0	0	115.3	S1106	S1106-Q1108 VanDerWaalsContact C-N 3.32Å; S1106-Q1108 PolarHBondContact O-N 3.07Å; S1106-Q1108 VanDerWaalsContact O-N 3.07Å
1109	M	26.7	Very low	37.3	Very low	100 Å²	100	128.9 Å²	128.9	49%	0.493	65%	0.647	S	S	.	*			trans	-109.6	16.1	-172.4	-150.9	173.7	167	0	0	116	K1112	M1109-K1112 HydrophobicContact CE-CB 4.45Å; M1109-K1112 HydrophobicContact CG-CB 3.83Å
1110	F	28.7	Very low	38.6	Very low	172 Å²	172	134.2 Å²	134.2	75%	0.754	67%	0.667	S	S	*	*	S	Bend	trans	-72	-35.7	173.8	-95.5	-76.4	0	0	0	113.3	K1112	F1110-K1112 VanDerWaalsContact C-N 3.3Å; F1110-K1112 PolarHBondContact O-N 2.91Å
1111	E	29.4	Very low	40.3	Very low	178 Å²	178	132.7 Å²	132.7	83%	0.832	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-74.8	-19.5	175.8	-64.6	-178.9	139.4	0	0	113.1
1112	K	31.8	Very low	41.9	Very low	167 Å²	167	132.9 Å²	132.9	73%	0.726	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-97.2	16.1	-170.8	-137.9	174.5	-173.5	174.5	0	114.5	M1109 F1110	M1109-K1112 HydrophobicContact CE-CB 4.45Å; M1109-K1112 HydrophobicContact CG-CB 3.83Å; F1110-K1112 VanDerWaalsContact C-N 3.3Å; F1110-K1112 PolarHBondContact O-N 2.91Å
1113	L	32	Very low	44.2	Very low	79 Å²	79	129.7 Å²	129.7	41%	0.414	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-105.8	16.1	174.1	-151	72.2	0	0	0	113.7	L1115	L1113-L1115 PolarHBondContact O-N 3.27Å
1114	L	36.1	Very low	46.4	Very low	134 Å²	134	128.6 Å²	128.6	70%	0.702	63%	0.631	S	S	*	*			trans	-64.5	92	149.3	-81.2	99.1	0	0	0	108.1	P1116	L1114-P1116 WeakPolarHBondContact O-CD 3.45Å
1115	L	36.7	Very low	48.8	Very low	102 Å²	102	123.3 Å²	123.3	53%	0.534	61%	0.61	S	S	.	*			trans	-61.3	110.8	169.7	-75.3	161.7	0	0	0	108.1	L1113 N1117 I1118	L1113-L1115 PolarHBondContact O-N 3.27Å; L1115-N1117 PolarHBondContact O-N 2.95Å; L1115-I1118 HydrophobicContact CB-CG1 4.02Å; L1115-I1118 WeakPolarHBondContact O-CG1 3.34Å
1116	P	38.3	Very low	51.6	Low	125 Å²	125	114.6 Å²	114.6	81%	0.812	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-15.4	-170.9	-22.6	36	0	0	0	113.9	L1114	L1114-P1116 WeakPolarHBondContact O-CD 3.45Å
1117	N	43.7	Very low	54.6	Low	155 Å²	155	112 Å²	112	83%	0.829	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	58.2	180	-70.3	-34.8	0	0	0	111.1	L1115 S1119	L1115-N1117 PolarHBondContact O-N 2.95Å; N1117-S1119 PolarHBondContact O-N 3.41Å
1118	I	59.1	Low	57.2	Low	41 Å²	41	106.3 Å²	106.3	21%	0.21	52%	0.516	C	S	.	.			trans	-60.5	122.8	165	-62.8	176.7	0	0	0	107.7	L1115 L1122 Q1123 L1126	L1115-I1118 HydrophobicContact CB-CG1 4.02Å; L1115-I1118 WeakPolarHBondContact O-CG1 3.34Å; I1118-L1122 HydrophobicContact CG2-CB 3.93Å; I1118-L1122 HydrophobicContact CG2-CD2 4.12Å; I1118-L1122 HydrophobicContact CG2-CG 3.94Å; I1118-Q1123 HydrophobicContact CG2-CB 3.8Å; I1118-L1126 HydrophobicContact CD1-CD1 4.18Å; I1118-L1126 HydrophobicContact CG2-CD1 4.23Å
1119	S	70	Confident	59.9	Low	64 Å²	64	98 Å²	98	45%	0.448	48%	0.478	S	S	.	.			trans	-64.6	148.9	177.8	77.5	0	0	0	0	110.5	N1117 Q1121 L1122 Q1123	N1117-S1119 PolarHBondContact O-N 3.41Å; S1119-Q1121 PolarHBondContact O-N 3.3Å; S1119-L1122 PolarHBondContact O-N 3.16Å; S1119-L1122 WeakPolarHBondContact OG-CB 3.43Å; S1119-L1122 PolarHBondContact OG-N 3.36Å; S1119-L1122 VanDerWaalsContact OG-N 3.14Å; S1119-Q1123 PolarHBondContact O-N 3.05Å
1120	K	70.9	Confident	63.1	Low	200 Å²	200	93.3 Å²	93.3	87%	0.87	45%	0.454	S	S	*	.	H	α-helix	trans	-52.3	-34.3	179.3	-67.7	-176.3	179.1	179.9	0	112.5	Y1124	K1120-Y1124 WeakPolarHBondContact O-CB 3.42Å; K1120-Y1124 PolarHBondContact O-N 2.95Å; K1120-Y1124 VanDerWaalsContact O-N 3.12Å
1121	Q	73.6	Confident	66.2	Low	127 Å²	127	85.7 Å²	85.7	59%	0.593	42%	0.422	S	S	*	.	H	α-helix	trans	-72.1	-44.2	176.7	-173.1	175.3	8.5	0	0	112.7	S1119 Y1124 Y1125	S1119-Q1121 PolarHBondContact O-N 3.3Å; Q1121-Y1124 WeakPolarHBondContact O-CB 3.35Å; Q1121-Y1124 PolarHBondContact O-N 3.11Å; Q1121-Y1125 HydrophobicContact CG-CD2 4.12Å; Q1121-Y1125 HydrophobicContact CG-CE2 3.63Å; Q1121-Y1125 WeakPolarHBondContact O-CD2 3.44Å; Q1121-Y1125 PolarHBondContact O-N 2.9Å; Q1121-Y1125 VanDerWaalsContact O-N 3.08Å
1122	L	77.6	Confident	69.1	Low	57 Å²	57	80.1 Å²	80.1	30%	0.298	39%	0.393	S	S	.	.	H	α-helix	trans	-64.9	-40.1	175.3	-179.7	59.1	0	0	0	111.4	I1118 S1119 Y1124 Y1125 L1126	I1118-L1122 HydrophobicContact CG2-CB 3.93Å; I1118-L1122 HydrophobicContact CG2-CD2 4.12Å; I1118-L1122 HydrophobicContact CG2-CG 3.94Å; S1119-L1122 PolarHBondContact O-N 3.16Å; S1119-L1122 WeakPolarHBondContact OG-CB 3.43Å; S1119-L1122 PolarHBondContact OG-N 3.36Å; S1119-L1122 VanDerWaalsContact OG-N 3.14Å; L1122-Y1124 VanDerWaalsContact C-N 3.31Å; L1122-Y1124 PolarHBondContact O-N 3.49Å; L1122-Y1125 PolarHBondContact O-N 2.9Å; L1122-L1126 HydrophobicContact CD1-CD1 4.47Å; L1122-L1126 HydrophobicContact CD1-CG 4.35Å; L1122-L1126 HydrophobicContact CG-CD1 4.1Å; L1122-L1126 HydrophobicContact CG-CG 4.46Å; L1122-L1126 WeakPolarHBondContact O-CB 3.42Å; L1122-L1126 WeakPolarHBondContact O-CG 3.33Å; L1122-L1126 PolarHBondContact O-N 3.43Å
1123	Q	82.4	Confident	72	Confident	51 Å²	51	72.2 Å²	72.2	24%	0.238	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-41.3	174.7	-170.2	67.1	66	0	0	111.6	I1118 S1119 L1126 N1127 G1149	I1118-Q1123 HydrophobicContact CG2-CB 3.8Å; S1119-Q1123 PolarHBondContact O-N 3.05Å; Q1123-L1126 PolarHBondContact O-N 2.89Å; Q1123-N1127 PolarHBondContact NE2-OD1 3.02Å; Q1123-N1127 VanDerWaalsContact O-CB 3.26Å; Q1123-N1127 WeakPolarHBondContact O-CB 3.46Å; Q1123-N1127 PolarHBondContact O-N 3.44Å; Q1123-N1127 PolarHBondContact O-ND2 3.47Å; Q1123-N1127 PolarHBondContact O-OD1 3.39Å; Q1123-G1149 PolarHBondContact NE2-O 3.46Å
1124	Y	80.9	Confident	75	Confident	125 Å²	125	68.4 Å²	68.4	49%	0.49	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-44.9	176	171.2	-102.4	0	0	0	112.2	K1120 Q1121 L1122 N1127 K1128	K1120-Y1124 WeakPolarHBondContact O-CB 3.42Å; K1120-Y1124 PolarHBondContact O-N 2.95Å; K1120-Y1124 VanDerWaalsContact O-N 3.12Å; Q1121-Y1124 WeakPolarHBondContact O-CB 3.35Å; Q1121-Y1124 PolarHBondContact O-N 3.11Å; L1122-Y1124 VanDerWaalsContact C-N 3.31Å; L1122-Y1124 PolarHBondContact O-N 3.49Å; Y1124-N1127 PolarHBondContact O-N 2.93Å; Y1124-K1128 HydrophobicContact CE1-CD 4.46Å; Y1124-K1128 PolarHBondContact O-N 3.32Å; Y1124-K1128 VanDerWaalsContact OH-CE 3.24Å; Y1124-K1128 WeakPolarHBondContact OH-CE 3.17Å; Y1124-K1128 PolarHBondContact OH-NZ 2.69Å
1125	Y	82.6	Confident	77.7	Confident	92 Å²	92	63.9 Å²	63.9	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-66	-43.6	175.5	-69.7	-54.4	0	0	0	112.9	I1085 Q1121 L1122 N1127 K1128 A1129	I1085-Y1125 HydrophobicContact CD1-CD1 3.96Å; I1085-Y1125 HydrophobicContact CD1-CE1 4.41Å; Q1121-Y1125 HydrophobicContact CG-CD2 4.12Å; Q1121-Y1125 HydrophobicContact CG-CE2 3.63Å; Q1121-Y1125 WeakPolarHBondContact O-CD2 3.44Å; Q1121-Y1125 PolarHBondContact O-N 2.9Å; Q1121-Y1125 VanDerWaalsContact O-N 3.08Å; L1122-Y1125 PolarHBondContact O-N 2.9Å; Y1125-N1127 VanDerWaalsContact C-N 3.32Å; Y1125-N1127 PolarHBondContact O-N 2.81Å; Y1125-K1128 PolarHBondContact O-N 3.06Å; Y1125-A1129 VanDerWaalsContact O-CB 3.29Å; Y1125-A1129 WeakPolarHBondContact O-CB 3.37Å; Y1125-A1129 PolarHBondContact O-N 2.59Å
1126	L	88.3	Confident	80.3	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-57.4	-44.3	173.6	-77.1	170.5	0	0	0	111.7	I1094 I1118 L1122 Q1123 A1129 L1130 L1145 A1148 A1150	I1094-L1126 HydrophobicContact CD1-CD2 3.77Å; I1118-L1126 HydrophobicContact CD1-CD1 4.18Å; I1118-L1126 HydrophobicContact CG2-CD1 4.23Å; L1122-L1126 HydrophobicContact CD1-CD1 4.47Å; L1122-L1126 HydrophobicContact CD1-CG 4.35Å; L1122-L1126 HydrophobicContact CG-CD1 4.1Å; L1122-L1126 HydrophobicContact CG-CG 4.46Å; L1122-L1126 WeakPolarHBondContact O-CB 3.42Å; L1122-L1126 WeakPolarHBondContact O-CG 3.33Å; L1122-L1126 PolarHBondContact O-N 3.43Å; Q1123-L1126 PolarHBondContact O-N 2.89Å; L1126-A1129 PolarHBondContact O-N 3.26Å; L1126-L1130 WeakPolarHBondContact O-CB 3.48Å; L1126-L1130 PolarHBondContact O-N 2.74Å; L1126-L1145 HydrophobicContact CD2-CD2 3.8Å; L1126-A1148 WeakPolarHBondContact CD1-O 3.38Å; L1126-A1148 HydrophobicContact CD2-CB 4.11Å; L1126-A1150 HydrophobicContact CB-CB 3.95Å
1127	N	90.9	Very high	82.9	Confident	35 Å²	35	57.7 Å²	57.7	19%	0.187	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-46	178.3	-71.1	-0.3	0	0	0	112	Q1123 Y1124 Y1125 L1130 L1131 S1151 A1154	Q1123-N1127 PolarHBondContact NE2-OD1 3.02Å; Q1123-N1127 VanDerWaalsContact O-CB 3.26Å; Q1123-N1127 WeakPolarHBondContact O-CB 3.46Å; Q1123-N1127 PolarHBondContact O-N 3.44Å; Q1123-N1127 PolarHBondContact O-ND2 3.47Å; Q1123-N1127 PolarHBondContact O-OD1 3.39Å; Y1124-N1127 PolarHBondContact O-N 2.93Å; Y1125-N1127 VanDerWaalsContact C-N 3.32Å; Y1125-N1127 PolarHBondContact O-N 2.81Å; N1127-L1130 PolarHBondContact O-N 3.13Å; N1127-L1131 WeakPolarHBondContact O-CG 3.49Å; N1127-L1131 PolarHBondContact O-N 2.9Å; N1127-L1131 VanDerWaalsContact O-N 3.08Å; N1127-S1151 PolarHBondContact OD1-N 3.2Å; N1127-A1154 HydrophobicContact CB-CB 3.72Å
1128	K	89.4	Confident	85.2	Confident	50 Å²	50	53 Å²	53	22%	0.217	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-42.3	174	-86.3	-157.9	173.8	-169.1	0	112.1	D1082 I1085 Y1124 Y1125 L1130 L1131 R1132	D1082-K1128 IonicContact OD1-NZ 3.88Å; D1082-K1128 PolarHBondContact OD1-NZ 3.27Å; D1082-K1128 IonicContact OD2-NZ 3.75Å; D1082-K1128 PolarHBondContact OD2-NZ 3.09Å; I1085-K1128 HydrophobicContact CD1-CB 3.76Å; I1085-K1128 HydrophobicContact CD1-CD 3.54Å; I1085-K1128 HydrophobicContact CD1-CG 4.27Å; Y1124-K1128 HydrophobicContact CE1-CD 4.46Å; Y1124-K1128 PolarHBondContact O-N 3.32Å; Y1124-K1128 VanDerWaalsContact OH-CE 3.24Å; Y1124-K1128 WeakPolarHBondContact OH-CE 3.17Å; Y1124-K1128 PolarHBondContact OH-NZ 2.69Å; Y1125-K1128 PolarHBondContact O-N 3.06Å; K1128-L1130 PolarHBondContact O-N 3.44Å; K1128-L1131 PolarHBondContact O-N 3.11Å; K1128-R1132 PolarHBondContact O-N 3.35Å
1129	A	89.6	Confident	86.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-40.9	177.3	0	0	0	0	0	112	V1087 L1090 Y1125 L1126 R1132 A1133 L1145	V1087-A1129 HydrophobicContact CG1-CB 4.42Å; L1090-A1129 HydrophobicContact CD2-CB 3.66Å; Y1125-A1129 VanDerWaalsContact O-CB 3.29Å; Y1125-A1129 WeakPolarHBondContact O-CB 3.37Å; Y1125-A1129 PolarHBondContact O-N 2.59Å; L1126-A1129 PolarHBondContact O-N 3.26Å; A1129-R1132 PolarHBondContact O-N 2.93Å; A1129-A1133 WeakPolarHBondContact O-CB 3.46Å; A1129-A1133 PolarHBondContact O-N 3.31Å; A1129-L1145 HydrophobicContact CB-CD1 3.87Å; A1129-L1145 HydrophobicContact CB-CD2 4.03Å
1130	L	93.3	Very high	87.7	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-40.4	176.7	179.3	66.5	0	0	0	111.8	L1126 N1127 K1128 S1134 V1142 L1145 L1146 A1150 S1151	L1126-L1130 WeakPolarHBondContact O-CB 3.48Å; L1126-L1130 PolarHBondContact O-N 2.74Å; N1127-L1130 PolarHBondContact O-N 3.13Å; K1128-L1130 PolarHBondContact O-N 3.44Å; L1130-S1134 VanDerWaalsContact O-CB 3.3Å; L1130-S1134 WeakPolarHBondContact O-CB 3.49Å; L1130-S1134 PolarHBondContact O-N 2.96Å; L1130-S1134 PolarHBondContact O-OG 3.47Å; L1130-V1142 HydrophobicContact CD1-CB 4.37Å; L1130-V1142 HydrophobicContact CD1-CG1 3.96Å; L1130-V1142 HydrophobicContact CD1-CG2 4.45Å; L1130-L1145 HydrophobicContact CB-CB 4.4Å; L1130-L1145 HydrophobicContact CD1-CB 4.12Å; L1130-L1146 HydrophobicContact CD1-CD2 4.16Å; L1130-L1146 HydrophobicContact CD1-CG 3.98Å; L1130-L1146 HydrophobicContact CD2-CD2 3.8Å; L1130-A1150 HydrophobicContact CB-CB 3.84Å; L1130-A1150 HydrophobicContact CD2-CB 3.8Å; L1130-A1150 HydrophobicContact CG-CB 4.29Å; L1130-S1151 WeakPolarHBondContact CD2-O 3.39Å
1131	L	93.7	Very high	88.6	Confident	13 Å²	13	47.3 Å²	47.3	7%	0.068	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-48.6	174.3	-73.4	162.1	0	0	0	111.6	N1127 K1128 S1134 H1135 A1154 D1156 R1160 L1165	N1127-L1131 WeakPolarHBondContact O-CG 3.49Å; N1127-L1131 PolarHBondContact O-N 2.9Å; N1127-L1131 VanDerWaalsContact O-N 3.08Å; K1128-L1131 PolarHBondContact O-N 3.11Å; L1131-S1134 PolarHBondContact O-N 3.39Å; L1131-H1135 WeakPolarHBondContact O-CB 3.34Å; L1131-H1135 PolarHBondContact O-N 3.02Å; L1131-A1154 HydrophobicContact CD1-CB 4.06Å; L1131-A1154 HydrophobicContact CG-CB 4.13Å; L1131-D1156 HydrophobicContact CD1-CB 4.24Å; L1131-R1160 WeakPolarHBondContact CD2-O 3.32Å; L1131-L1165 HydrophobicContact CB-CD1 3.97Å; L1131-L1165 HydrophobicContact CD2-CD1 3.69Å; L1131-L1165 HydrophobicContact CG-CD1 4.48Å; L1131-L1165 WeakPolarHBondContact O-CD1 3.26Å
1132	R	90.9	Very high	89.4	Confident	61 Å²	61	41.3 Å²	41.3	23%	0.23	20%	0.199	C	C	.	.	H	α-helix	trans	-71.7	-30.8	179.4	-167.6	64.6	157.2	-172.1	-9.2	112.7	D1080 V1087 K1128 A1129 H1135 N1136	D1080-R1132 IonicContact OD1-NH1 3.57Å; D1080-R1132 PolarHBondContact OD1-NH1 2.87Å; D1080-R1132 IonicContact OD2-CZ 2.77Å; D1080-R1132 VanDerWaalsContact OD2-CZ 3.25Å; D1080-R1132 IonicContact OD2-NH1 3.24Å; D1080-R1132 PolarHBondContact OD2-NH1 3.34Å; D1080-R1132 IonicContact OD2-NH2 3.28Å; D1080-R1132 PolarHBondContact OD2-NH2 2.9Å; V1087-R1132 HydrophobicContact CG2-CB 3.75Å; V1087-R1132 HydrophobicContact CG2-CG 3.71Å; K1128-R1132 PolarHBondContact O-N 3.35Å; A1129-R1132 PolarHBondContact O-N 2.93Å; R1132-H1135 WeakPolarHBondContact O-CB 3.35Å; R1132-H1135 PolarHBondContact O-N 2.86Å; R1132-N1136 WeakPolarHBondContact O-CB 3.2Å; R1132-N1136 VanDerWaalsContact O-CG 3.23Å; R1132-N1136 PolarHBondContact O-N 3.06Å
1133	A	93	Very high	90	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-41.6	169	0	0	0	0	0	111.8	V1087 A1129 N1136 G1137 L1138 H1141 V1142 L1145	V1087-A1133 HydrophobicContact CG1-CB 4.37Å; A1129-A1133 WeakPolarHBondContact O-CB 3.46Å; A1129-A1133 PolarHBondContact O-N 3.31Å; A1133-N1136 PolarHBondContact O-N 3.32Å; A1133-G1137 PolarHBondContact O-N 3Å; A1133-L1138 HydrophobicContact CB-CB 4.41Å; A1133-L1138 PolarHBondContact O-N 3.36Å; A1133-H1141 HydrophobicContact CB-CB 4.06Å; A1133-V1142 HydrophobicContact CB-CG2 3.83Å; A1133-L1145 HydrophobicContact CB-CD1 4.06Å
1134	S	94.3	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-35.3	175.7	-58	0	0	0	0	112.7	L1130 L1131 C1162 H1171	L1130-S1134 VanDerWaalsContact O-CB 3.3Å; L1130-S1134 WeakPolarHBondContact O-CB 3.49Å; L1130-S1134 PolarHBondContact O-N 2.96Å; L1130-S1134 PolarHBondContact O-OG 3.47Å; L1131-S1134 PolarHBondContact O-N 3.39Å; S1134-C1162 WeakPolarHBondContact OG-CB 3.47Å; S1134-H1171 PolarHBondContact O-CD2 3Å
1135	H	93.3	Very high	90.7	Very high	38 Å²	38	35.6 Å²	35.6	18%	0.176	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-44	170.8	179.9	-77.8	0	0	0	112	L1131 R1132 L1165 F1169 H1171	L1131-H1135 WeakPolarHBondContact O-CB 3.34Å; L1131-H1135 PolarHBondContact O-N 3.02Å; R1132-H1135 WeakPolarHBondContact O-CB 3.35Å; R1132-H1135 PolarHBondContact O-N 2.86Å; H1135-L1165 HydrophobicContact CB-CB 4.29Å; H1135-L1165 HydrophobicContact CB-CD1 4.37Å; H1135-F1169 AromaticContact CD2-CD2 3.96Å; H1135-F1169 AromaticContact CD2-CE2 3.29Å; H1135-F1169 WeakPolarHBondContact CD2-CE2 3.37Å; H1135-F1169 AromaticContact CD2-CZ 3.94Å; H1135-F1169 AromaticContact CE1-CE2 3.8Å; H1135-F1169 AromaticContact CE1-CZ 3.76Å; H1135-F1169 AromaticContact CG-CE2 3.88Å; H1135-F1169 AromaticContact NE2-CE2 3.22Å; H1135-F1169 WeakPolarHBondContact NE2-CE2 3.2Å; H1135-F1169 AromaticContact NE2-CZ 3.34Å; H1135-F1169 VanDerWaalsContact NE2-CZ 3.34Å; H1135-F1169 WeakPolarHBondContact NE2-CZ 3.08Å; H1135-H1171 PolarHBondContact O-CD2 2.94Å; H1135-H1171 PolarHBondContact O-NE2 3.18Å
1136	N	91.1	Very high	91	Very high	76 Å²	76	32.9 Å²	32.9	41%	0.406	17%	0.168	S	C	.	.	H	α-helix	trans	-87	-6.6	-175.6	-66.6	-4.7	0	0	0	113.9	R1132 A1133 L1138	R1132-N1136 WeakPolarHBondContact O-CB 3.2Å; R1132-N1136 VanDerWaalsContact O-CG 3.23Å; R1132-N1136 PolarHBondContact O-N 3.06Å; A1133-N1136 PolarHBondContact O-N 3.32Å; N1136-L1138 VanDerWaalsContact C-N 3.32Å; N1136-L1138 HydrophobicContact CB-CD1 4.12Å; N1136-L1138 HydrophobicContact CB-CG 3.93Å
1137	G	92.8	Very high	90.8	Very high	22 Å²	22	38.5 Å²	38.5	23%	0.227	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	16.4	178.2	0	0	0	0	0	114.5	A1133 I1139 H1171	A1133-G1137 PolarHBondContact O-N 3Å; G1137-I1139 VanDerWaalsContact C-N 3.27Å; G1137-I1139 PolarHBondContact O-N 3.25Å; G1137-H1171 WeakPolarHBondContact CA-CD2 3.4Å; G1137-H1171 PolarHBondContact N-CD2 3.14Å; G1137-H1171 PolarHBondContact N-NE2 2.96Å
1138	L	92	Very high	90.4	Very high	57 Å²	57	37.8 Å²	37.8	30%	0.298	20%	0.197	S	C	.	.			trans	-76.5	74.8	-175.5	-61	177.1	0	0	0	110.4	A1133 N1136 D1140 H1141 V1142	A1133-L1138 HydrophobicContact CB-CB 4.41Å; A1133-L1138 PolarHBondContact O-N 3.36Å; N1136-L1138 VanDerWaalsContact C-N 3.32Å; N1136-L1138 HydrophobicContact CB-CD1 4.12Å; N1136-L1138 HydrophobicContact CB-CG 3.93Å; L1138-D1140 VanDerWaalsContact C-N 3.34Å; L1138-D1140 PolarHBondContact O-N 2.69Å; L1138-H1141 HydrophobicContact CB-CB 3.88Å; L1138-H1141 WeakPolarHBondContact O-CA 3.42Å; L1138-H1141 WeakPolarHBondContact O-CB 3.25Å; L1138-H1141 PolarHBondContact O-N 2.88Å; L1138-V1142 PolarHBondContact O-N 3.17Å
1139	I	92.3	Very high	90.1	Very high	28 Å²	28	36.6 Å²	36.6	14%	0.144	20%	0.199	C	C	.	.	H	α-helix	trans	-49.3	-51.5	-175.3	-179.3	59.3	0	0	0	112.1	G1137 H1141 V1142 E1143 V1174 H1177	G1137-I1139 VanDerWaalsContact C-N 3.27Å; G1137-I1139 PolarHBondContact O-N 3.25Å; I1139-H1141 PolarHBondContact O-N 3.29Å; I1139-H1141 VanDerWaalsContact O-N 3.11Å; I1139-V1142 WeakPolarHBondContact O-CA 3.46Å; I1139-V1142 WeakPolarHBondContact O-CB 3.5Å; I1139-V1142 PolarHBondContact O-N 2.85Å; I1139-E1143 HydrophobicContact CD1-CG 3.93Å; I1139-E1143 HydrophobicContact CG1-CG 4.21Å; I1139-E1143 WeakPolarHBondContact O-CG 3.49Å; I1139-E1143 PolarHBondContact O-N 2.89Å; I1139-V1174 HydrophobicContact CB-CG2 4.2Å; I1139-V1174 HydrophobicContact CD1-CG2 4.27Å; I1139-H1177 HydrophobicContact CD1-CB 3.72Å
1140	D	89.5	Confident	90	Very high	117 Å²	117	36.9 Å²	36.9	63%	0.626	20%	0.201	S	C	*	.	H	α-helix	trans	-61.1	-28.4	-177.9	-39.7	-57.9	0	0	0	112.6	L1138 L1144	L1138-D1140 VanDerWaalsContact C-N 3.34Å; L1138-D1140 PolarHBondContact O-N 2.69Å; D1140-L1144 VanDerWaalsContact O-CB 3.23Å; D1140-L1144 WeakPolarHBondContact O-CB 3.39Å; D1140-L1144 PolarHBondContact O-N 2.7Å
1141	H	89.5	Confident	89.7	Confident	40 Å²	40	38.8 Å²	38.8	19%	0.185	21%	0.214	C	C	.	.	H	α-helix	trans	-80	-36.1	174.9	-63.2	43.6	0	0	0	111.2	V1091 A1133 L1138 I1139 L1144 L1145	V1091-H1141 HydrophobicContact CG2-CB 4.42Å; A1133-H1141 HydrophobicContact CB-CB 4.06Å; L1138-H1141 HydrophobicContact CB-CB 3.88Å; L1138-H1141 WeakPolarHBondContact O-CA 3.42Å; L1138-H1141 WeakPolarHBondContact O-CB 3.25Å; L1138-H1141 PolarHBondContact O-N 2.88Å; I1139-H1141 PolarHBondContact O-N 3.29Å; I1139-H1141 VanDerWaalsContact O-N 3.11Å; H1141-L1144 PolarHBondContact O-N 3.47Å; H1141-L1145 WeakPolarHBondContact O-CB 3.36Å; H1141-L1145 WeakPolarHBondContact O-CD1 3.46Å; H1141-L1145 WeakPolarHBondContact O-CG 3.49Å; H1141-L1145 PolarHBondContact O-N 2.81Å
1142	V	90.9	Very high	89.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-47.6	172.6	171.8	0	0	0	0	110.5	L1130 A1133 L1138 I1139 L1144 L1145 L1146 V1174 L1178	L1130-V1142 HydrophobicContact CD1-CB 4.37Å; L1130-V1142 HydrophobicContact CD1-CG1 3.96Å; L1130-V1142 HydrophobicContact CD1-CG2 4.45Å; A1133-V1142 HydrophobicContact CB-CG2 3.83Å; L1138-V1142 PolarHBondContact O-N 3.17Å; I1139-V1142 WeakPolarHBondContact O-CA 3.46Å; I1139-V1142 WeakPolarHBondContact O-CB 3.5Å; I1139-V1142 PolarHBondContact O-N 2.85Å; V1142-L1144 PolarHBondContact O-N 3.42Å; V1142-L1145 PolarHBondContact O-N 3.13Å; V1142-L1146 HydrophobicContact CG1-CD1 3.94Å; V1142-L1146 WeakPolarHBondContact O-CB 3.23Å; V1142-L1146 VanDerWaalsContact O-CG 3.28Å; V1142-L1146 WeakPolarHBondContact O-CG 3.1Å; V1142-L1146 PolarHBondContact O-N 3.43Å; V1142-V1174 HydrophobicContact CG1-CG1 4.45Å; V1142-V1174 HydrophobicContact CG2-CG1 4.2Å; V1142-V1174 HydrophobicContact CG2-CG2 4.47Å; V1142-L1178 HydrophobicContact CG1-CD2 4.32Å
1143	E	89.7	Confident	89.5	Confident	75 Å²	75	41.2 Å²	41.2	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-45.5	177.5	-51	-159.2	165.2	0	0	111	I1139 N1147 H1177	I1139-E1143 HydrophobicContact CD1-CG 3.93Å; I1139-E1143 HydrophobicContact CG1-CG 4.21Å; I1139-E1143 WeakPolarHBondContact O-CG 3.49Å; I1139-E1143 PolarHBondContact O-N 2.89Å; E1143-N1147 WeakPolarHBondContact O-CB 3.49Å; E1143-N1147 PolarHBondContact O-N 2.95Å; E1143-N1147 PolarHBondContact O-ND2 3.32Å; E1143-N1147 VanDerWaalsContact O-ND2 3.1Å; E1143-H1177 VanDerWaalsContact CD-ND1 3.28Å; E1143-H1177 WeakPolarHBondContact CG-CE1 3.46Å; E1143-H1177 IonicContact OE1-CE1 3.45Å; E1143-H1177 PolarHBondContact OE1-CE1 2.96Å; E1143-H1177 IonicContact OE1-CG 3.93Å; E1143-H1177 IonicContact OE1-ND1 3.8Å; E1143-H1177 PolarHBondContact OE1-ND1 3.28Å; E1143-H1177 IonicContact OE2-CE1 2.76Å
1144	L	87.6	Confident	89.3	Confident	39 Å²	39	41.5 Å²	41.5	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-40.4	178.4	-178.5	150.9	0	0	0	113.1	V1091 I1094 N1095 D1140 H1141 V1142 N1147 A1148	V1091-L1144 HydrophobicContact CG1-CD1 4.17Å; V1091-L1144 HydrophobicContact CG1-CD2 4.03Å; V1091-L1144 HydrophobicContact CG2-CD2 4.25Å; I1094-L1144 HydrophobicContact CB-CD2 4.3Å; I1094-L1144 HydrophobicContact CD1-CD2 4.43Å; I1094-L1144 HydrophobicContact CG2-CD2 3.78Å; N1095-L1144 VanDerWaalsContact ND2-CD1 3.27Å; N1095-L1144 WeakPolarHBondContact ND2-CD1 3.46Å; D1140-L1144 VanDerWaalsContact O-CB 3.23Å; D1140-L1144 WeakPolarHBondContact O-CB 3.39Å; D1140-L1144 PolarHBondContact O-N 2.7Å; H1141-L1144 PolarHBondContact O-N 3.47Å; V1142-L1144 PolarHBondContact O-N 3.42Å; L1144-N1147 PolarHBondContact O-N 3.19Å; L1144-A1148 WeakPolarHBondContact O-CB 3.37Å; L1144-A1148 PolarHBondContact O-N 3.17Å
1145	L	90	Very high	89.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.2	-38.9	-179.5	-73.6	164.3	0	0	0	111.9	V1091 I1094 L1126 A1129 L1130 A1133 H1141 V1142 A1148 G1149 A1150	V1091-L1145 HydrophobicContact CG2-CD1 4.26Å; V1091-L1145 HydrophobicContact CG2-CD2 4.24Å; V1091-L1145 HydrophobicContact CG2-CG 4.23Å; I1094-L1145 HydrophobicContact CD1-CD2 3.84Å; L1126-L1145 HydrophobicContact CD2-CD2 3.8Å; A1129-L1145 HydrophobicContact CB-CD1 3.87Å; A1129-L1145 HydrophobicContact CB-CD2 4.03Å; L1130-L1145 HydrophobicContact CB-CB 4.4Å; L1130-L1145 HydrophobicContact CD1-CB 4.12Å; A1133-L1145 HydrophobicContact CB-CD1 4.06Å; H1141-L1145 WeakPolarHBondContact O-CB 3.36Å; H1141-L1145 WeakPolarHBondContact O-CD1 3.46Å; H1141-L1145 WeakPolarHBondContact O-CG 3.49Å; H1141-L1145 PolarHBondContact O-N 2.81Å; V1142-L1145 PolarHBondContact O-N 3.13Å; L1145-A1148 CarbonylContact O-C 3.57Å; L1145-A1148 PolarHBondContact O-N 3.44Å; L1145-A1148 VanDerWaalsContact O-N 3.16Å; L1145-G1149 PolarHBondContact O-N 3.42Å; L1145-A1150 HydrophobicContact CB-CB 4.05Å; L1145-A1150 WeakPolarHBondContact O-CB 3.39Å; L1145-A1150 PolarHBondContact O-N 2.81Å
1146	L	89.4	Confident	89	Confident	35 Å²	35	44.2 Å²	44.2	18%	0.183	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-45.7	171.2	-71	169.8	0	0	0	110.8	L1130 V1142 A1148 G1149 I1152 L1178	L1130-L1146 HydrophobicContact CD1-CD2 4.16Å; L1130-L1146 HydrophobicContact CD1-CG 3.98Å; L1130-L1146 HydrophobicContact CD2-CD2 3.8Å; V1142-L1146 HydrophobicContact CG1-CD1 3.94Å; V1142-L1146 WeakPolarHBondContact O-CB 3.23Å; V1142-L1146 VanDerWaalsContact O-CG 3.28Å; V1142-L1146 WeakPolarHBondContact O-CG 3.1Å; V1142-L1146 PolarHBondContact O-N 3.43Å; L1146-A1148 PolarHBondContact O-N 3.16Å; L1146-G1149 PolarHBondContact O-N 2.95Å; L1146-I1152 HydrophobicContact CD2-CB 4.18Å; L1146-L1178 HydrophobicContact CD1-CD2 4.31Å
1147	N	84	Confident	88.8	Confident	122 Å²	122	46.6 Å²	46.6	65%	0.652	25%	0.253	S	S	*	.	H	α-helix	trans	-63.8	-26	175	-69.9	-26.2	0	0	0	113.3	E1143 L1144 G1149	E1143-N1147 WeakPolarHBondContact O-CB 3.49Å; E1143-N1147 PolarHBondContact O-N 2.95Å; E1143-N1147 PolarHBondContact O-ND2 3.32Å; E1143-N1147 VanDerWaalsContact O-ND2 3.1Å; L1144-N1147 PolarHBondContact O-N 3.19Å; N1147-G1149 VanDerWaalsContact C-N 3.28Å
1148	A	82.8	Confident	88.5	Confident	20 Å²	20	48.2 Å²	48.2	17%	0.165	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	6.1	174	0	0	0	0	0	113.8	I1094 L1126 L1144 L1145 L1146	I1094-A1148 HydrophobicContact CG2-CB 4.3Å; L1126-A1148 WeakPolarHBondContact CD1-O 3.38Å; L1126-A1148 HydrophobicContact CD2-CB 4.11Å; L1144-A1148 WeakPolarHBondContact O-CB 3.37Å; L1144-A1148 PolarHBondContact O-N 3.17Å; L1145-A1148 CarbonylContact O-C 3.57Å; L1145-A1148 PolarHBondContact O-N 3.44Å; L1145-A1148 VanDerWaalsContact O-N 3.16Å; L1146-A1148 PolarHBondContact O-N 3.16Å
1149	G	83.4	Confident	88.4	Confident	25 Å²	25	45.5 Å²	45.5	26%	0.258	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	13.8	178	0	0	0	0	0	115.3	Q1123 L1145 L1146 N1147 S1151	Q1123-G1149 PolarHBondContact NE2-O 3.46Å; L1145-G1149 PolarHBondContact O-N 3.42Å; L1146-G1149 PolarHBondContact O-N 2.95Å; N1147-G1149 VanDerWaalsContact C-N 3.28Å; G1149-S1151 PolarHBondContact O-N 3.2Å
1150	A	87.1	Confident	88.5	Confident	6 Å²	6	46 Å²	46	5%	0.05	24%	0.238	C	C	.	.			trans	-63.5	129.9	169.7	0	0	0	0	0	110.2	L1126 L1130 L1145 I1152	L1126-A1150 HydrophobicContact CB-CB 3.95Å; L1130-A1150 HydrophobicContact CB-CB 3.84Å; L1130-A1150 HydrophobicContact CD2-CB 3.8Å; L1130-A1150 HydrophobicContact CG-CB 4.29Å; L1145-A1150 HydrophobicContact CB-CB 4.05Å; L1145-A1150 WeakPolarHBondContact O-CB 3.39Å; L1145-A1150 PolarHBondContact O-N 2.81Å; A1150-I1152 PolarHBondContact O-N 2.85Å
1151	S	87.4	Confident	88.7	Confident	40 Å²	40	40.4 Å²	40.4	28%	0.28	21%	0.209	S	C	.	.			trans	-76.3	126.4	-173.8	-176.4	0	0	0	0	111.6	N1127 L1130 G1149 H1153 A1154	N1127-S1151 PolarHBondContact OD1-N 3.2Å; L1130-S1151 WeakPolarHBondContact CD2-O 3.39Å; G1149-S1151 PolarHBondContact O-N 3.2Å; S1151-H1153 PolarHBondContact O-N 3.26Å; S1151-H1153 VanDerWaalsContact O-N 3.13Å; S1151-H1153 WeakPolarHBondContact OG-CB 3.26Å; S1151-H1153 PolarHBondContact OG-N 3.04Å; S1151-A1154 WeakPolarHBondContact O-CB 3.45Å; S1151-A1154 PolarHBondContact O-N 3.22Å
1152	I	90.3	Very high	89	Confident	20 Å²	20	38.6 Å²	38.6	10%	0.103	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.6	170.7	-163	162.3	0	0	0	113	L1146 A1150 A1154 L1178 I1182	L1146-I1152 HydrophobicContact CD2-CB 4.18Å; A1150-I1152 PolarHBondContact O-N 2.85Å; I1152-A1154 VanDerWaalsContact C-N 3.28Å; I1152-L1178 HydrophobicContact CD1-CD2 3.93Å; I1152-L1178 HydrophobicContact CG1-CD2 4.14Å; I1152-I1182 HydrophobicContact CD1-CB 3.89Å; I1152-I1182 HydrophobicContact CD1-CG1 4.08Å; I1152-I1182 HydrophobicContact CG1-CG1 4.22Å
1153	H	88.6	Confident	89.2	Confident	106 Å²	106	38.7 Å²	38.7	49%	0.491	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	5.1	172.5	-52.6	83	0	0	0	113.1	S1151 L1155 L1186	S1151-H1153 PolarHBondContact O-N 3.26Å; S1151-H1153 VanDerWaalsContact O-N 3.13Å; S1151-H1153 WeakPolarHBondContact OG-CB 3.26Å; S1151-H1153 PolarHBondContact OG-N 3.04Å; H1153-L1155 PolarHBondContact O-N 2.95Å; H1153-L1186 HydrophobicContact CB-CD1 4.4Å; H1153-L1186 VanDerWaalsContact CD2-CD1 3.49Å; H1153-L1186 WeakPolarHBondContact CD2-CD1 3.38Å
1154	A	89	Confident	89.5	Confident	5 Å²	5	35.2 Å²	35.2	4%	0.041	19%	0.185	C	C	.	.			trans	-60	131.9	175.3	0	0	0	0	0	111.2	N1127 L1131 S1151 I1152	N1127-A1154 HydrophobicContact CB-CB 3.72Å; L1131-A1154 HydrophobicContact CD1-CB 4.06Å; L1131-A1154 HydrophobicContact CG-CB 4.13Å; S1151-A1154 WeakPolarHBondContact O-CB 3.45Å; S1151-A1154 PolarHBondContact O-N 3.22Å; I1152-A1154 VanDerWaalsContact C-N 3.28Å
1155	L	92.8	Very high	89.9	Confident	59 Å²	59	33.6 Å²	33.6	31%	0.309	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-122.4	147.2	175	-52.3	-177.8	0	0	0	109.2	H1153 L1189 Y1192	H1153-L1155 PolarHBondContact O-N 2.95Å; L1155-L1189 HydrophobicContact CD1-CD2 4.34Å; L1155-L1189 HydrophobicContact CD2-CD2 3.45Å; L1155-L1189 VanDerWaalsContact CD2-CD2 3.45Å; L1155-Y1192 WeakPolarHBondContact CD1-OH 3.04Å
1156	D	88.9	Confident	90.2	Very high	36 Å²	36	33.6 Å²	33.6	19%	0.193	18%	0.176	C	C	.	.			trans	-83.8	-177	170.7	74.1	9.5	0	0	0	113	L1131 Y1158 G1159 R1160	L1131-D1156 HydrophobicContact CD1-CB 4.24Å; D1156-Y1158 PolarHBondContact O-N 2.58Å; D1156-Y1158 WeakPolarHBondContact OD1-CA 3.33Å; D1156-Y1158 WeakPolarHBondContact OD1-CB 3.26Å; D1156-Y1158 PolarHBondContact OD1-N 2.9Å; D1156-G1159 PolarHBondContact O-N 3.4Å; D1156-G1159 PolarHBondContact OD1-N 2.87Å; D1156-R1160 PolarHBondContact N-O 3.33Å; D1156-R1160 VanDerWaalsContact N-O 3.14Å; D1156-R1160 WeakPolarHBondContact OD1-CB 3.31Å; D1156-R1160 PolarHBondContact OD1-N 3.31Å; D1156-R1160 IonicContact OD1-NE 2.68Å; D1156-R1160 PolarHBondContact OD1-NE 3.07Å; D1156-R1160 IonicContact OD2-CZ 3.25Å; D1156-R1160 IonicContact OD2-NE 2.7Å; D1156-R1160 PolarHBondContact OD2-NE 3.31Å; D1156-R1160 IonicContact OD2-NH2 3.44Å; D1156-R1160 PolarHBondContact OD2-NH2 3.14Å
1157	K	87.4	Confident	90.5	Very high	127 Å²	127	32 Å²	32	55%	0.552	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13	-179.7	68.8	-172.5	-177.2	-173.2	0	114.8
1158	Y	87.1	Confident	91.1	Very high	56 Å²	56	28.9 Å²	28.9	22%	0.22	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	6	177.5	-51.1	-78.6	0	0	0	112.6	D1156 R1160 E1191 Y1192 E1193	D1156-Y1158 PolarHBondContact O-N 2.58Å; D1156-Y1158 WeakPolarHBondContact OD1-CA 3.33Å; D1156-Y1158 WeakPolarHBondContact OD1-CB 3.26Å; D1156-Y1158 PolarHBondContact OD1-N 2.9Å; Y1158-R1160 VanDerWaalsContact C-N 3.33Å; Y1158-E1191 WeakPolarHBondContact O-CB 3.38Å; Y1158-Y1192 PolarHBondContact O-N 2.74Å; Y1158-E1193 HydrophobicContact CD1-CG 3.8Å; Y1158-E1193 WeakPolarHBondContact CD1-OE1 3.37Å; Y1158-E1193 WeakPolarHBondContact CE1-OE1 3.39Å
1159	G	89.9	Confident	91.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.			trans	78.2	13.3	-176.1	0	0	0	0	0	114.2	D1156 S1161	D1156-G1159 PolarHBondContact O-N 3.4Å; D1156-G1159 PolarHBondContact OD1-N 2.87Å; G1159-S1161 PolarHBondContact O-N 3.3Å
1160	R	93.7	Very high	92.2	Very high	37 Å²	37	30.9 Å²	30.9	14%	0.14	15%	0.152	C	C	.	.			trans	-84.2	118.4	-176.6	-55.4	176.1	-55	-166.9	13	109.7	L1131 D1156 Y1158 H1164 L1165 E1191	L1131-R1160 WeakPolarHBondContact CD2-O 3.32Å; D1156-R1160 PolarHBondContact N-O 3.33Å; D1156-R1160 VanDerWaalsContact N-O 3.14Å; D1156-R1160 WeakPolarHBondContact OD1-CB 3.31Å; D1156-R1160 PolarHBondContact OD1-N 3.31Å; D1156-R1160 IonicContact OD1-NE 2.68Å; D1156-R1160 PolarHBondContact OD1-NE 3.07Å; D1156-R1160 IonicContact OD2-CZ 3.25Å; D1156-R1160 IonicContact OD2-NE 2.7Å; D1156-R1160 PolarHBondContact OD2-NE 3.31Å; D1156-R1160 IonicContact OD2-NH2 3.44Å; D1156-R1160 PolarHBondContact OD2-NH2 3.14Å; Y1158-R1160 VanDerWaalsContact C-N 3.33Å; R1160-H1164 HydrophobicContact CB-CB 4Å; R1160-L1165 HydrophobicContact CB-CD2 4.11Å; R1160-E1191 HydrophobicContact CG-CB 3.67Å; R1160-E1191 HydrophobicContact CG-CG 3.95Å
1161	S	94.2	Very high	92.6	Very high	1 Å²	1	33 Å²	33	1%	0.007	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-76.2	167.5	173.3	69.4	0	0	0	0	112.7	G1159 L1163 H1164 L1165	G1159-S1161 PolarHBondContact O-N 3.3Å; S1161-L1163 PolarHBondContact O-N 3.4Å; S1161-L1163 VanDerWaalsContact O-N 3.09Å; S1161-H1164 PolarHBondContact N-ND1 2.9Å; S1161-H1164 WeakPolarHBondContact O-CB 3.47Å; S1161-H1164 PolarHBondContact O-N 3.03Å; S1161-H1164 PolarHBondContact OG-ND1 3.43Å; S1161-L1165 PolarHBondContact O-N 3.38Å
1162	C	94.1	Very high	92.9	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-48.7	-37.7	174	-59.4	0	0	0	0	113.2	S1134 L1165 A1166 L1178	S1134-C1162 WeakPolarHBondContact OG-CB 3.47Å; C1162-L1165 PolarHBondContact O-N 3.26Å; C1162-A1166 WeakPolarHBondContact O-CB 3.47Å; C1162-A1166 PolarHBondContact O-N 3.23Å; C1162-L1178 HydrophobicContact CB-CD1 3.78Å; C1162-L1178 HydrophobicContact CB-CD2 4.26Å
1163	L	95.1	Very high	93.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-39.2	177.8	-159.7	77	0	0	0	112.2	S1161 A1167 I1175 L1178 L1179 I1182 I1187 A1198 L1214	S1161-L1163 PolarHBondContact O-N 3.4Å; S1161-L1163 VanDerWaalsContact O-N 3.09Å; L1163-A1167 WeakPolarHBondContact O-CB 3.33Å; L1163-A1167 PolarHBondContact O-N 3.22Å; L1163-I1175 HydrophobicContact CD1-CD1 3.65Å; L1163-I1175 HydrophobicContact CD1-CG2 4.46Å; L1163-I1175 HydrophobicContact CG-CD1 4.13Å; L1163-L1178 HydrophobicContact CD1-CB 4.4Å; L1163-L1179 HydrophobicContact CD1-CD2 4.11Å; L1163-L1179 HydrophobicContact CD1-CG 4.3Å; L1163-I1182 HydrophobicContact CB-CD1 4.14Å; L1163-I1182 HydrophobicContact CD1-CD1 4.36Å; L1163-I1182 HydrophobicContact CD2-CD1 4.16Å; L1163-I1182 HydrophobicContact CG-CD1 4.47Å; L1163-I1187 HydrophobicContact CD2-CB 4.44Å; L1163-I1187 HydrophobicContact CD2-CG2 4.31Å; L1163-A1198 HydrophobicContact CB-CB 4.19Å; L1163-A1198 HydrophobicContact CD2-CB 3.68Å; L1163-A1198 HydrophobicContact CG-CB 3.77Å; L1163-L1214 HydrophobicContact CD1-CD2 4.18Å; L1163-L1214 HydrophobicContact CD2-CD2 3.84Å; L1163-L1214 HydrophobicContact CG-CD2 4.11Å
1164	H	96.9	Very high	93.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-43.2	176.6	-71.5	79.9	0	0	0	112.2	R1160 S1161 A1167 K1168 L1189 Q1196 T1197 A1198 K1201	R1160-H1164 HydrophobicContact CB-CB 4Å; S1161-H1164 PolarHBondContact N-ND1 2.9Å; S1161-H1164 WeakPolarHBondContact O-CB 3.47Å; S1161-H1164 PolarHBondContact O-N 3.03Å; S1161-H1164 PolarHBondContact OG-ND1 3.43Å; H1164-A1167 PolarHBondContact O-N 2.69Å; H1164-K1168 PolarHBondContact O-N 3.36Å; H1164-L1189 PolarHBondContact CE1-O 3.37Å; H1164-L1189 PolarHBondContact NE2-O 2.91Å; H1164-L1189 VanDerWaalsContact NE2-O 3.07Å; H1164-Q1196 PolarHBondContact CD2-O 3.33Å; H1164-Q1196 PolarHBondContact NE2-O 2.92Å; H1164-T1197 VanDerWaalsContact NE2-C 3.33Å; H1164-T1197 WeakPolarHBondContact NE2-CA 3.38Å; H1164-A1198 PolarHBondContact CD2-N 3.46Å; H1164-A1198 PolarHBondContact NE2-N 3.09Å; H1164-K1201 HydrophobicContact CB-CG 4.47Å
1165	L	95.5	Very high	93.6	Very high	6 Å²	6	34 Å²	34	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-67.5	-51.6	-178.4	-58.6	177.9	0	0	0	110.1	L1131 H1135 R1160 S1161 C1162 A1167 K1168 F1169	L1131-L1165 HydrophobicContact CB-CD1 3.97Å; L1131-L1165 HydrophobicContact CD2-CD1 3.69Å; L1131-L1165 HydrophobicContact CG-CD1 4.48Å; L1131-L1165 WeakPolarHBondContact O-CD1 3.26Å; H1135-L1165 HydrophobicContact CB-CB 4.29Å; H1135-L1165 HydrophobicContact CB-CD1 4.37Å; R1160-L1165 HydrophobicContact CB-CD2 4.11Å; S1161-L1165 PolarHBondContact O-N 3.38Å; C1162-L1165 PolarHBondContact O-N 3.26Å; L1165-A1167 PolarHBondContact O-N 3.13Å; L1165-K1168 PolarHBondContact O-N 3.43Å; L1165-F1169 VanDerWaalsContact O-CD2 3.31Å; L1165-F1169 WeakPolarHBondContact O-CD2 3.37Å; L1165-F1169 PolarHBondContact O-N 3.39Å; L1165-F1169 VanDerWaalsContact O-N 3.14Å
1166	A	96.2	Very high	93.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-33.9	175	0	0	0	0	0	112.6	C1162 G1170 H1171 V1174 I1175	C1162-A1166 WeakPolarHBondContact O-CB 3.47Å; C1162-A1166 PolarHBondContact O-N 3.23Å; A1166-G1170 PolarHBondContact O-N 2.92Å; A1166-H1171 HydrophobicContact CB-CB 4.21Å; A1166-H1171 PolarHBondContact O-N 3.04Å; A1166-V1174 HydrophobicContact CB-CB 4.2Å; A1166-V1174 HydrophobicContact CB-CG1 3.84Å; A1166-I1175 HydrophobicContact CB-CD1 3.55Å; A1166-I1175 HydrophobicContact CB-CG1 3.99Å
1167	A	97.1	Very high	93.5	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-72.3	-39	176.1	0	0	0	0	0	114.3	L1163 H1164 L1165 I1175 A1198 K1201 A1202 R1207 I1210	L1163-A1167 WeakPolarHBondContact O-CB 3.33Å; L1163-A1167 PolarHBondContact O-N 3.22Å; H1164-A1167 PolarHBondContact O-N 2.69Å; L1165-A1167 PolarHBondContact O-N 3.13Å; A1167-I1175 HydrophobicContact CB-CD1 4.37Å; A1167-A1198 HydrophobicContact CB-CB 4.2Å; A1167-A1198 WeakPolarHBondContact CB-O 3.44Å; A1167-K1201 HydrophobicContact CB-CB 4.45Å; A1167-A1202 HydrophobicContact CB-CB 4.15Å; A1167-R1207 WeakPolarHBondContact O-CG 3.46Å; A1167-I1210 HydrophobicContact CB-CG2 4.21Å
1168	K	96.1	Very high	93.7	Very high	58 Å²	58	29 Å²	29	25%	0.252	14%	0.137	S	C	.	.	H	α-helix	trans	-60.3	-48.6	172.9	-178.3	-179.1	173.6	-170.6	0	109.9	D1078 H1164 L1165 K1201 S1205 R1207	D1078-K1168 IonicContact OD2-NZ 2.78Å; D1078-K1168 PolarHBondContact OD2-NZ 3.24Å; H1164-K1168 PolarHBondContact O-N 3.36Å; L1165-K1168 PolarHBondContact O-N 3.43Å; K1168-K1201 HydrophobicContact CB-CB 4.47Å; K1168-S1205 WeakPolarHBondContact O-CB 3.31Å; K1168-S1205 PolarHBondContact O-OG 3.49Å; K1168-S1205 VanDerWaalsContact O-OG 3.04Å; K1168-R1207 PolarHBondContact O-NE 3.45Å; K1168-R1207 VanDerWaalsContact O-NE 3.13Å; K1168-R1207 PolarHBondContact O-NH2 3.04Å
1169	F	93.9	Very high	93.9	Very high	65 Å²	65	28.1 Å²	28.1	29%	0.285	14%	0.136	S	C	.	.	H	α-helix	trans	-89.1	-15.2	-169.7	-67.5	-73.1	0	0	0	115.6	H1135 L1165 H1171 R1207	H1135-F1169 AromaticContact CD2-CD2 3.96Å; H1135-F1169 AromaticContact CD2-CE2 3.29Å; H1135-F1169 WeakPolarHBondContact CD2-CE2 3.37Å; H1135-F1169 AromaticContact CD2-CZ 3.94Å; H1135-F1169 AromaticContact CE1-CE2 3.8Å; H1135-F1169 AromaticContact CE1-CZ 3.76Å; H1135-F1169 AromaticContact CG-CE2 3.88Å; H1135-F1169 AromaticContact NE2-CE2 3.22Å; H1135-F1169 WeakPolarHBondContact NE2-CE2 3.2Å; H1135-F1169 AromaticContact NE2-CZ 3.34Å; H1135-F1169 VanDerWaalsContact NE2-CZ 3.34Å; H1135-F1169 WeakPolarHBondContact NE2-CZ 3.08Å; L1165-F1169 VanDerWaalsContact O-CD2 3.31Å; L1165-F1169 WeakPolarHBondContact O-CD2 3.37Å; L1165-F1169 PolarHBondContact O-N 3.39Å; L1165-F1169 VanDerWaalsContact O-N 3.14Å; F1169-H1171 VanDerWaalsContact CB-NE2 3.32Å; F1169-H1171 WeakPolarHBondContact CB-NE2 3.42Å; F1169-R1207 VanDerWaalsContact C-CZ 3.48Å; F1169-R1207 VanDerWaalsContact C-NH2 3.31Å; F1169-R1207 PolarHBondContact O-NH1 2.9Å; F1169-R1207 PolarHBondContact O-NH2 2.93Å
1170	G	94.6	Very high	93.6	Very high	21 Å²	21	34.8 Å²	34.8	22%	0.216	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	19.6	169.4	0	0	0	0	0	115.4	A1166 V1172 I1210	A1166-G1170 PolarHBondContact O-N 2.92Å; G1170-V1172 PolarHBondContact O-N 3.21Å; G1170-I1210 VanDerWaalsContact C-CD1 3.47Å
1171	H	96.3	Very high	93	Very high	50 Å²	50	40 Å²	40	23%	0.231	19%	0.185	C	C	.	.			trans	-82.8	74	-169.1	-58.7	-46.3	0	0	0	112.9	S1134 H1135 G1137 A1166 F1169 K1173 V1174 I1175	S1134-H1171 PolarHBondContact O-CD2 3Å; H1135-H1171 PolarHBondContact O-CD2 2.94Å; H1135-H1171 PolarHBondContact O-NE2 3.18Å; G1137-H1171 WeakPolarHBondContact CA-CD2 3.4Å; G1137-H1171 PolarHBondContact N-CD2 3.14Å; G1137-H1171 PolarHBondContact N-NE2 2.96Å; A1166-H1171 HydrophobicContact CB-CB 4.21Å; A1166-H1171 PolarHBondContact O-N 3.04Å; F1169-H1171 VanDerWaalsContact CB-NE2 3.32Å; F1169-H1171 WeakPolarHBondContact CB-NE2 3.42Å; H1171-K1173 PolarHBondContact O-N 2.96Å; H1171-V1174 HydrophobicContact CB-CB 4.01Å; H1171-V1174 HydrophobicContact CB-CG2 4.11Å; H1171-V1174 PolarHBondContact O-N 3.01Å; H1171-I1175 PolarHBondContact O-N 2.99Å
1172	V	94	Very high	92.3	Very high	45 Å²	45	40.8 Å²	40.8	27%	0.273	19%	0.19	S	C	.	.	H	α-helix	trans	-48.3	-49.9	-175.4	176.2	0	0	0	0	112.9	G1170 V1174 I1175 E1176 V1209 I1210 I1213	G1170-V1172 PolarHBondContact O-N 3.21Å; V1172-V1174 VanDerWaalsContact C-N 3.3Å; V1172-V1174 PolarHBondContact O-N 3.13Å; V1172-I1175 WeakPolarHBondContact O-CB 3.37Å; V1172-I1175 PolarHBondContact O-N 3.39Å; V1172-E1176 HydrophobicContact CG1-CG 4.22Å; V1172-E1176 WeakPolarHBondContact CG1-OE1 3.36Å; V1172-E1176 WeakPolarHBondContact O-CG 3.06Å; V1172-E1176 PolarHBondContact O-N 3.36Å; V1172-V1209 HydrophobicContact CG1-CG1 4.35Å; V1172-V1209 HydrophobicContact CG2-CB 4.43Å; V1172-V1209 HydrophobicContact CG2-CG1 4.1Å; V1172-I1210 HydrophobicContact CG2-CD1 4.38Å; V1172-I1210 HydrophobicContact CG2-CG1 3.94Å; V1172-I1213 HydrophobicContact CG1-CD1 3.81Å
1173	K	93.3	Very high	91.4	Very high	148 Å²	148	43.2 Å²	43.2	64%	0.643	21%	0.205	S	C	*	.	H	α-helix	trans	-61	-35.8	179.5	-69.3	-171.2	175.6	-174.1	0	113.7	H1171 E1176 H1177	H1171-K1173 PolarHBondContact O-N 2.96Å; K1173-E1176 PolarHBondContact O-N 3.36Å; K1173-H1177 WeakPolarHBondContact O-CB 3.23Å; K1173-H1177 PolarHBondContact O-N 3.32Å
1174	V	94.1	Very high	90.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-70.6	-41.4	177.8	175.6	0	0	0	0	110	I1139 V1142 A1166 H1171 V1172 H1177 L1178	I1139-V1174 HydrophobicContact CB-CG2 4.2Å; I1139-V1174 HydrophobicContact CD1-CG2 4.27Å; V1142-V1174 HydrophobicContact CG1-CG1 4.45Å; V1142-V1174 HydrophobicContact CG2-CG1 4.2Å; V1142-V1174 HydrophobicContact CG2-CG2 4.47Å; A1166-V1174 HydrophobicContact CB-CB 4.2Å; A1166-V1174 HydrophobicContact CB-CG1 3.84Å; H1171-V1174 HydrophobicContact CB-CB 4.01Å; H1171-V1174 HydrophobicContact CB-CG2 4.11Å; H1171-V1174 PolarHBondContact O-N 3.01Å; V1172-V1174 VanDerWaalsContact C-N 3.3Å; V1172-V1174 PolarHBondContact O-N 3.13Å; V1174-H1177 PolarHBondContact O-N 2.73Å; V1174-L1178 HydrophobicContact CG1-CD1 3.77Å; V1174-L1178 HydrophobicContact CG1-CG 4.22Å; V1174-L1178 WeakPolarHBondContact O-CB 3.44Å; V1174-L1178 VanDerWaalsContact O-CG 3.23Å; V1174-L1178 WeakPolarHBondContact O-CG 3.26Å; V1174-L1178 PolarHBondContact O-N 3.31Å
1175	I	94.2	Very high	89	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-49.1	171.2	-62.4	-65	0	0	0	110.7	L1163 A1166 A1167 H1171 V1172 H1177 L1178 L1179 I1210 I1213 L1214	L1163-I1175 HydrophobicContact CD1-CD1 3.65Å; L1163-I1175 HydrophobicContact CD1-CG2 4.46Å; L1163-I1175 HydrophobicContact CG-CD1 4.13Å; A1166-I1175 HydrophobicContact CB-CD1 3.55Å; A1166-I1175 HydrophobicContact CB-CG1 3.99Å; A1167-I1175 HydrophobicContact CB-CD1 4.37Å; H1171-I1175 PolarHBondContact O-N 2.99Å; V1172-I1175 WeakPolarHBondContact O-CB 3.37Å; V1172-I1175 PolarHBondContact O-N 3.39Å; I1175-H1177 VanDerWaalsContact C-N 3.27Å; I1175-H1177 PolarHBondContact O-N 3.19Å; I1175-L1178 PolarHBondContact O-N 3.42Å; I1175-L1179 HydrophobicContact CG2-CD1 3.5Å; I1175-L1179 VanDerWaalsContact CG2-CD1 3.5Å; I1175-L1179 HydrophobicContact CG2-CG 4.09Å; I1175-L1179 WeakPolarHBondContact O-CB 3.36Å; I1175-L1179 WeakPolarHBondContact O-CG 3.36Å; I1175-L1179 PolarHBondContact O-N 2.89Å; I1175-I1210 HydrophobicContact CD1-CG2 4.43Å; I1175-I1210 HydrophobicContact CG1-CD1 4Å; I1175-I1210 HydrophobicContact CG1-CG1 4.29Å; I1175-I1210 HydrophobicContact CG1-CG2 4.13Å; I1175-I1213 HydrophobicContact CG2-CG2 3.85Å; I1175-L1214 HydrophobicContact CG2-CD2 4.37Å
1176	E	91.1	Very high	88.4	Confident	96 Å²	96	58.9 Å²	58.9	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-27	179.6	-71.4	171.7	163.3	0	0	113.8	V1172 K1173 K1180 I1213	V1172-E1176 HydrophobicContact CG1-CG 4.22Å; V1172-E1176 WeakPolarHBondContact CG1-OE1 3.36Å; V1172-E1176 WeakPolarHBondContact O-CG 3.06Å; V1172-E1176 PolarHBondContact O-N 3.36Å; K1173-E1176 PolarHBondContact O-N 3.36Å; E1176-K1180 WeakPolarHBondContact O-CE 3.29Å; E1176-I1213 HydrophobicContact CG-CD1 4.15Å
1177	H	89.5	Confident	88.2	Confident	18 Å²	18	59.4 Å²	59.4	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-80.3	-49.7	172.2	-169.6	110.4	0	0	0	111.5	I1139 E1143 K1173 V1174 I1175 L1179 K1180 Y1181	I1139-H1177 HydrophobicContact CD1-CB 3.72Å; E1143-H1177 VanDerWaalsContact CD-ND1 3.28Å; E1143-H1177 WeakPolarHBondContact CG-CE1 3.46Å; E1143-H1177 IonicContact OE1-CE1 3.45Å; E1143-H1177 PolarHBondContact OE1-CE1 2.96Å; E1143-H1177 IonicContact OE1-CG 3.93Å; E1143-H1177 IonicContact OE1-ND1 3.8Å; E1143-H1177 PolarHBondContact OE1-ND1 3.28Å; E1143-H1177 IonicContact OE2-CE1 2.76Å; K1173-H1177 WeakPolarHBondContact O-CB 3.23Å; K1173-H1177 PolarHBondContact O-N 3.32Å; V1174-H1177 PolarHBondContact O-N 2.73Å; I1175-H1177 VanDerWaalsContact C-N 3.27Å; I1175-H1177 PolarHBondContact O-N 3.19Å; H1177-L1179 VanDerWaalsContact C-N 3.31Å; H1177-L1179 PolarHBondContact O-N 3.25Å; H1177-K1180 WeakPolarHBondContact O-CB 3.42Å; H1177-K1180 PolarHBondContact O-N 2.84Å; H1177-K1180 VanDerWaalsContact O-N 3.16Å; H1177-Y1181 AromaticContact CD2-CE2 3.82Å; H1177-Y1181 AromaticContact NE2-CD2 3.94Å; H1177-Y1181 AromaticContact NE2-CE2 3.41Å; H1177-Y1181 WeakPolarHBondContact NE2-CE2 3.41Å
1178	L	91.3	Very high	87.9	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-42.2	-179.9	-71.7	171.4	0	0	0	111.7	V1142 L1146 I1152 C1162 L1163 V1174 I1175 K1180 Y1181 I1182	V1142-L1178 HydrophobicContact CG1-CD2 4.32Å; L1146-L1178 HydrophobicContact CD1-CD2 4.31Å; I1152-L1178 HydrophobicContact CD1-CD2 3.93Å; I1152-L1178 HydrophobicContact CG1-CD2 4.14Å; C1162-L1178 HydrophobicContact CB-CD1 3.78Å; C1162-L1178 HydrophobicContact CB-CD2 4.26Å; L1163-L1178 HydrophobicContact CD1-CB 4.4Å; V1174-L1178 HydrophobicContact CG1-CD1 3.77Å; V1174-L1178 HydrophobicContact CG1-CG 4.22Å; V1174-L1178 WeakPolarHBondContact O-CB 3.44Å; V1174-L1178 VanDerWaalsContact O-CG 3.23Å; V1174-L1178 WeakPolarHBondContact O-CG 3.26Å; V1174-L1178 PolarHBondContact O-N 3.31Å; I1175-L1178 PolarHBondContact O-N 3.42Å; L1178-K1180 PolarHBondContact O-N 2.9Å; L1178-Y1181 PolarHBondContact O-N 3.2Å; L1178-I1182 WeakPolarHBondContact O-CB 3.47Å; L1178-I1182 PolarHBondContact O-N 3.36Å
1179	L	90	Very high	87.7	Confident	38 Å²	38	60.6 Å²	60.6	20%	0.199	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-9	-179.6	-71.7	174	0	0	0	114.9	L1163 I1175 H1177 I1182 I1187 I1213 L1214 A1217	L1163-L1179 HydrophobicContact CD1-CD2 4.11Å; L1163-L1179 HydrophobicContact CD1-CG 4.3Å; I1175-L1179 HydrophobicContact CG2-CD1 3.5Å; I1175-L1179 VanDerWaalsContact CG2-CD1 3.5Å; I1175-L1179 HydrophobicContact CG2-CG 4.09Å; I1175-L1179 WeakPolarHBondContact O-CB 3.36Å; I1175-L1179 WeakPolarHBondContact O-CG 3.36Å; I1175-L1179 PolarHBondContact O-N 2.89Å; H1177-L1179 VanDerWaalsContact C-N 3.31Å; H1177-L1179 PolarHBondContact O-N 3.25Å; L1179-I1182 HydrophobicContact CD2-CG2 3.94Å; L1179-I1187 HydrophobicContact CD2-CD1 4.03Å; L1179-I1187 HydrophobicContact CD2-CG1 4.25Å; L1179-I1213 HydrophobicContact CD1-CG2 3.42Å; L1179-I1213 VanDerWaalsContact CD1-CG2 3.42Å; L1179-L1214 HydrophobicContact CD2-CD2 4.45Å; L1179-A1217 HydrophobicContact CD1-CB 3.91Å; L1179-A1217 HydrophobicContact CD2-CB 3.78Å; L1179-A1217 HydrophobicContact CG-CB 4.38Å
1180	K	84.1	Confident	87.7	Confident	140 Å²	140	60.8 Å²	60.8	61%	0.609	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.4	171.6	-62.6	170.6	-174.5	171.4	0	113.3	E1176 H1177 L1178	E1176-K1180 WeakPolarHBondContact O-CE 3.29Å; H1177-K1180 WeakPolarHBondContact O-CB 3.42Å; H1177-K1180 PolarHBondContact O-N 2.84Å; H1177-K1180 VanDerWaalsContact O-N 3.16Å; L1178-K1180 PolarHBondContact O-N 2.9Å
1181	Y	80.7	Confident	87.6	Confident	147 Å²	147	59.8 Å²	59.8	58%	0.576	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-10.9	-168.5	-52.3	-66.3	0	0	0	113.5	H1177 L1178	H1177-Y1181 AromaticContact CD2-CE2 3.82Å; H1177-Y1181 AromaticContact NE2-CD2 3.94Å; H1177-Y1181 AromaticContact NE2-CE2 3.41Å; H1177-Y1181 WeakPolarHBondContact NE2-CE2 3.41Å; L1178-Y1181 PolarHBondContact O-N 3.2Å
1182	I	81.2	Confident	87.2	Confident	18 Å²	18	64.5 Å²	64.5	9%	0.092	30%	0.296	C	S	.	.	S	Bend	trans	-74.5	131.4	178.8	-151.9	170.6	0	0	0	110	I1152 L1163 L1178 L1179 L1186 I1187	I1152-I1182 HydrophobicContact CD1-CB 3.89Å; I1152-I1182 HydrophobicContact CD1-CG1 4.08Å; I1152-I1182 HydrophobicContact CG1-CG1 4.22Å; L1163-I1182 HydrophobicContact CB-CD1 4.14Å; L1163-I1182 HydrophobicContact CD1-CD1 4.36Å; L1163-I1182 HydrophobicContact CD2-CD1 4.16Å; L1163-I1182 HydrophobicContact CG-CD1 4.47Å; L1178-I1182 WeakPolarHBondContact O-CB 3.47Å; L1178-I1182 PolarHBondContact O-N 3.36Å; L1179-I1182 HydrophobicContact CD2-CG2 3.94Å; I1182-L1186 HydrophobicContact CD1-CB 3.82Å; I1182-L1186 HydrophobicContact CD1-CD1 4.41Å; I1182-L1186 HydrophobicContact CG1-CB 3.63Å; I1182-L1186 HydrophobicContact CG1-CD1 3.98Å; I1182-L1186 HydrophobicContact CG1-CG 4.49Å; I1182-I1187 HydrophobicContact CG2-CD1 4.15Å; I1182-I1187 HydrophobicContact CG2-CG1 3.8Å
1183	P	75.4	Confident	86.8	Confident	53 Å²	53	66.4 Å²	66.4	34%	0.344	30%	0.302	S	S	.	.			trans	-61.2	142.6	168.2	-22.9	34.1	0	0	0	110.7	K1185 L1186	P1183-K1185 PolarHBondContact O-N 3Å; P1183-K1185 VanDerWaalsContact O-N 3.08Å; P1183-L1186 PolarHBondContact O-N 3.49Å
1184	E	72.5	Confident	86.6	Confident	170 Å²	170	62.8 Å²	62.8	79%	0.794	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-49.5	-40.7	-179.9	-61.1	178.6	155	0	0	112.3	L1186 I1187	E1184-L1186 PolarHBondContact O-N 2.86Å; E1184-L1186 VanDerWaalsContact O-N 3.14Å; E1184-I1187 VanDerWaalsContact O-CB 3.31Å; E1184-I1187 WeakPolarHBondContact O-CB 3.49Å; E1184-I1187 WeakPolarHBondContact O-CG1 3.12Å; E1184-I1187 PolarHBondContact O-N 2.88Å
1185	K	68.7	Low	86.5	Confident	149 Å²	149	65.9 Å²	65.9	65%	0.648	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-57.8	-24.6	178.1	-67.3	173.8	168.6	-173.7	0	114.8	I695 P1183	I695-K1185 HydrophobicContact CD1-CD 3.69Å; I695-K1185 HydrophobicContact CD1-CG 4.36Å; P1183-K1185 PolarHBondContact O-N 3Å; P1183-K1185 VanDerWaalsContact O-N 3.08Å
1186	L	83.1	Confident	86.6	Confident	19 Å²	19	66.9 Å²	66.9	10%	0.099	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-88.4	-9.8	177.6	-87.9	-171.4	0	0	0	113.7	H1153 I1182 P1183 E1184 L1189	H1153-L1186 HydrophobicContact CB-CD1 4.4Å; H1153-L1186 VanDerWaalsContact CD2-CD1 3.49Å; H1153-L1186 WeakPolarHBondContact CD2-CD1 3.38Å; I1182-L1186 HydrophobicContact CD1-CB 3.82Å; I1182-L1186 HydrophobicContact CD1-CD1 4.41Å; I1182-L1186 HydrophobicContact CG1-CB 3.63Å; I1182-L1186 HydrophobicContact CG1-CD1 3.98Å; I1182-L1186 HydrophobicContact CG1-CG 4.49Å; P1183-L1186 PolarHBondContact O-N 3.49Å; E1184-L1186 PolarHBondContact O-N 2.86Å; E1184-L1186 VanDerWaalsContact O-N 3.14Å; L1186-L1189 HydrophobicContact CD2-CB 4.29Å; L1186-L1189 HydrophobicContact CD2-CD2 3.91Å
1187	I	90.5	Very high	86.9	Confident	11 Å²	11	62.3 Å²	62.3	6%	0.056	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-40	179.5	-58.7	-179.8	0	0	0	110.5	L1163 L1179 I1182 E1184 A1217 A1219	L1163-I1187 HydrophobicContact CD2-CB 4.44Å; L1163-I1187 HydrophobicContact CD2-CG2 4.31Å; L1179-I1187 HydrophobicContact CD2-CD1 4.03Å; L1179-I1187 HydrophobicContact CD2-CG1 4.25Å; I1182-I1187 HydrophobicContact CG2-CD1 4.15Å; I1182-I1187 HydrophobicContact CG2-CG1 3.8Å; E1184-I1187 VanDerWaalsContact O-CB 3.31Å; E1184-I1187 WeakPolarHBondContact O-CB 3.49Å; E1184-I1187 WeakPolarHBondContact O-CG1 3.12Å; E1184-I1187 PolarHBondContact O-N 2.88Å; I1187-A1217 HydrophobicContact CD1-CB 4.29Å; I1187-A1217 WeakPolarHBondContact CD1-O 3.41Å; I1187-A1219 HydrophobicContact CG2-CB 3.54Å
1188	D	92	Very high	87.2	Confident	39 Å²	39	61.5 Å²	61.5	21%	0.209	28%	0.282	C	S	.	.	S	Bend	trans	-103.5	15.3	179.4	-76.1	-36.8	0	0	0	114.4	Q1190 T1197 C1220 I1223	D1188-Q1190 PolarHBondContact O-N 2.95Å; D1188-T1197 HydrophobicContact CB-CG2 4.43Å; D1188-T1197 VanDerWaalsContact O-CG2 3.31Å; D1188-T1197 WeakPolarHBondContact O-CG2 3.47Å; D1188-C1220 PolarHBondContact OD1-N 2.87Å; D1188-C1220 WeakPolarHBondContact OD2-CB 3.35Å; D1188-C1220 PolarHBondContact OD2-N 3.07Å; D1188-I1223 HydrophobicContact CB-CD1 3.7Å
1189	L	92.5	Very high	87.5	Confident	43 Å²	43	61.4 Å²	61.4	23%	0.225	28%	0.282	C	S	.	.			trans	-52.1	137.2	167.7	179.3	72.9	0	0	0	109.8	L1155 H1164 L1186 T1197	L1155-L1189 HydrophobicContact CD1-CD2 4.34Å; L1155-L1189 HydrophobicContact CD2-CD2 3.45Å; L1155-L1189 VanDerWaalsContact CD2-CD2 3.45Å; H1164-L1189 PolarHBondContact CE1-O 3.37Å; H1164-L1189 PolarHBondContact NE2-O 2.91Å; H1164-L1189 VanDerWaalsContact NE2-O 3.07Å; L1186-L1189 HydrophobicContact CD2-CB 4.29Å; L1186-L1189 HydrophobicContact CD2-CD2 3.91Å; L1189-T1197 WeakPolarHBondContact O-CA 3.07Å
1190	Q	93.3	Very high	87.9	Confident	70 Å²	70	59.6 Å²	59.6	33%	0.327	27%	0.273	S	S	.	.			trans	-104.6	129	177.6	-68	-178.9	-77.1	0	0	110.4	D1188 N1195 T1197 I1223 T1224	D1188-Q1190 PolarHBondContact O-N 2.95Å; Q1190-N1195 HydrophobicContact CB-CB 4.23Å; Q1190-N1195 WeakPolarHBondContact CG-O 3.21Å; Q1190-N1195 PolarHBondContact NE2-O 3.47Å; Q1190-T1197 HydrophobicContact CG-CG2 3.73Å; Q1190-I1223 HydrophobicContact CG-CG2 4.21Å; Q1190-T1224 PolarHBondContact NE2-O 3.42Å
1191	E	91.5	Very high	88.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.249	C	C	.	.			trans	-76.5	154	175.3	61.2	65.1	-152.5	0	0	113.3	Y1158 R1160 E1193 K1194 N1195 Q1196 K1201	Y1158-E1191 WeakPolarHBondContact O-CB 3.38Å; R1160-E1191 HydrophobicContact CG-CB 3.67Å; R1160-E1191 HydrophobicContact CG-CG 3.95Å; E1191-E1193 PolarHBondContact O-N 3.14Å; E1191-E1193 WeakPolarHBondContact OE2-CB 3.34Å; E1191-E1193 PolarHBondContact OE2-N 2.65Å; E1191-K1194 WeakPolarHBondContact OE1-CB 3.43Å; E1191-K1194 PolarHBondContact OE1-N 2.92Å; E1191-K1194 PolarHBondContact OE2-N 3.4Å; E1191-N1195 WeakPolarHBondContact O-CA 3.48Å; E1191-N1195 PolarHBondContact O-N 2.72Å; E1191-Q1196 WeakPolarHBondContact CG-O 3.14Å; E1191-Q1196 PolarHBondContact N-O 2.92Å; E1191-Q1196 WeakPolarHBondContact OE1-CB 3.17Å; E1191-Q1196 PolarHBondContact OE1-N 3.25Å; E1191-K1201 VanDerWaalsContact CD-NZ 3.3Å; E1191-K1201 VanDerWaalsContact CG-CE 3.43Å; E1191-K1201 WeakPolarHBondContact OE1-CE 3.44Å; E1191-K1201 IonicContact OE1-NZ 2.58Å; E1191-K1201 PolarHBondContact OE1-NZ 2.79Å
1192	Y	88	Confident	89.3	Confident	149 Å²	149	47.1 Å²	47.1	58%	0.584	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.4	-159.9	-51.6	-29.6	0	0	0	115.7	L1155 Y1158	L1155-Y1192 WeakPolarHBondContact CD1-OH 3.04Å; Y1158-Y1192 PolarHBondContact O-N 2.74Å
1193	E	86	Confident	90.1	Very high	85 Å²	85	46.2 Å²	46.2	40%	0.397	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-41.4	-178.4	-64.2	-166.3	136.6	0	0	112.2	Y1158 E1191 I1226	Y1158-E1193 HydrophobicContact CD1-CG 3.8Å; Y1158-E1193 WeakPolarHBondContact CD1-OE1 3.37Å; Y1158-E1193 WeakPolarHBondContact CE1-OE1 3.39Å; E1191-E1193 PolarHBondContact O-N 3.14Å; E1191-E1193 WeakPolarHBondContact OE2-CB 3.34Å; E1191-E1193 PolarHBondContact OE2-N 2.65Å; E1193-I1226 WeakPolarHBondContact O-CD1 3.11Å
1194	K	88.5	Confident	91.1	Very high	72 Å²	72	45.7 Å²	45.7	31%	0.313	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	2.8	-167.9	-63.6	140.1	-172.8	150.7	0	113.1	E1191 Q1196 D1225 I1226 Y1227	E1191-K1194 WeakPolarHBondContact OE1-CB 3.43Å; E1191-K1194 PolarHBondContact OE1-N 2.92Å; E1191-K1194 PolarHBondContact OE2-N 3.4Å; K1194-Q1196 HydrophobicContact CB-CG 3.94Å; K1194-Q1196 PolarHBondContact O-N 2.86Å; K1194-D1225 WeakPolarHBondContact O-CA 3.29Å; K1194-D1225 VanDerWaalsContact O-CB 3.26Å; K1194-D1225 WeakPolarHBondContact O-CB 3.32Å; K1194-I1226 HydrophobicContact CB-CG1 4.45Å; K1194-I1226 PolarHBondContact O-N 3.14Å; K1194-Y1227 HydrophobicContact CG-CE2 4.18Å
1195	N	93.3	Very high	92.2	Very high	66 Å²	66	39.5 Å²	39.5	35%	0.353	19%	0.192	S	C	.	.			trans	53.5	35	-174.3	-63.6	18.4	0	0	0	113.1	Q1190 E1191 I1226	Q1190-N1195 HydrophobicContact CB-CB 4.23Å; Q1190-N1195 WeakPolarHBondContact CG-O 3.21Å; Q1190-N1195 PolarHBondContact NE2-O 3.47Å; E1191-N1195 WeakPolarHBondContact O-CA 3.48Å; E1191-N1195 PolarHBondContact O-N 2.72Å; N1195-I1226 HydrophobicContact CB-CG2 3.73Å; N1195-I1226 VanDerWaalsContact CG-CG2 3.46Å
1196	Q	95.7	Very high	93.5	Very high	21 Å²	21	39.5 Å²	39.5	10%	0.098	19%	0.188	C	C	.	.			trans	-95	126.5	-177.2	-72.7	179.4	-9.5	0	0	111.6	H1164 E1191 K1194 H1200 K1201 D1225 L1234	H1164-Q1196 PolarHBondContact CD2-O 3.33Å; H1164-Q1196 PolarHBondContact NE2-O 2.92Å; E1191-Q1196 WeakPolarHBondContact CG-O 3.14Å; E1191-Q1196 PolarHBondContact N-O 2.92Å; E1191-Q1196 WeakPolarHBondContact OE1-CB 3.17Å; E1191-Q1196 PolarHBondContact OE1-N 3.25Å; K1194-Q1196 HydrophobicContact CB-CG 3.94Å; K1194-Q1196 PolarHBondContact O-N 2.86Å; Q1196-H1200 HydrophobicContact CB-CB 3.59Å; Q1196-H1200 HydrophobicContact CG-CB 3.93Å; Q1196-K1201 HydrophobicContact CB-CD 4.2Å; Q1196-D1225 HydrophobicContact CG-CB 3.45Å; Q1196-D1225 VanDerWaalsContact CG-CB 3.45Å; Q1196-D1225 PolarHBondContact NE2-OD2 3.34Å; Q1196-L1234 HydrophobicContact CG-CD1 4.46Å
1197	T	96.4	Very high	94.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.			trans	-72.7	171.3	173.6	70.7	0	0	0	0	113	H1164 D1188 L1189 Q1190 L1199 H1200 K1201 I1223	H1164-T1197 VanDerWaalsContact NE2-C 3.33Å; H1164-T1197 WeakPolarHBondContact NE2-CA 3.38Å; D1188-T1197 HydrophobicContact CB-CG2 4.43Å; D1188-T1197 VanDerWaalsContact O-CG2 3.31Å; D1188-T1197 WeakPolarHBondContact O-CG2 3.47Å; L1189-T1197 WeakPolarHBondContact O-CA 3.07Å; Q1190-T1197 HydrophobicContact CG-CG2 3.73Å; T1197-L1199 PolarHBondContact O-N 3.08Å; T1197-L1199 VanDerWaalsContact O-N 3.16Å; T1197-L1199 PolarHBondContact OG1-N 2.91Å; T1197-H1200 PolarHBondContact N-ND1 2.72Å; T1197-H1200 WeakPolarHBondContact O-CA 3.46Å; T1197-H1200 VanDerWaalsContact O-CB 3.32Å; T1197-H1200 WeakPolarHBondContact O-CB 3.49Å; T1197-H1200 PolarHBondContact O-N 3.32Å; T1197-H1200 PolarHBondContact OG1-ND1 2.93Å; T1197-K1201 PolarHBondContact O-N 3.46Å; T1197-I1223 HydrophobicContact CG2-CB 4.48Å; T1197-I1223 HydrophobicContact CG2-CD1 4.03Å; T1197-I1223 HydrophobicContact CG2-CG2 3.96Å
1198	A	96.3	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-55.1	-33.8	172.8	0	0	0	0	0	112.4	L1163 H1164 A1167 K1201 A1202 L1214	L1163-A1198 HydrophobicContact CB-CB 4.19Å; L1163-A1198 HydrophobicContact CD2-CB 3.68Å; L1163-A1198 HydrophobicContact CG-CB 3.77Å; H1164-A1198 PolarHBondContact CD2-N 3.46Å; H1164-A1198 PolarHBondContact NE2-N 3.09Å; A1167-A1198 HydrophobicContact CB-CB 4.2Å; A1167-A1198 WeakPolarHBondContact CB-O 3.44Å; A1198-K1201 PolarHBondContact O-N 3.24Å; A1198-A1202 WeakPolarHBondContact O-CB 3.38Å; A1198-A1202 PolarHBondContact O-N 3.03Å; A1198-L1214 HydrophobicContact CB-CD1 4.16Å
1199	L	97.4	Very high	94.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-37.7	174.5	-178	61.8	0	0	0	112.4	T1197 A1202 A1203 C1211 L1214 I1215 A1219 P1221 P1231 L1247	T1197-L1199 PolarHBondContact O-N 3.08Å; T1197-L1199 VanDerWaalsContact O-N 3.16Å; T1197-L1199 PolarHBondContact OG1-N 2.91Å; L1199-A1202 PolarHBondContact O-N 3.03Å; L1199-A1203 VanDerWaalsContact O-CB 3.3Å; L1199-A1203 WeakPolarHBondContact O-CB 3.45Å; L1199-A1203 PolarHBondContact O-N 3.05Å; L1199-C1211 HydrophobicContact CD1-CB 4.1Å; L1199-L1214 HydrophobicContact CB-CD1 4.2Å; L1199-L1214 HydrophobicContact CD1-CB 4.23Å; L1199-L1214 HydrophobicContact CD1-CD1 4.39Å; L1199-I1215 HydrophobicContact CD1-CD1 4.45Å; L1199-I1215 HydrophobicContact CD1-CG1 4.25Å; L1199-I1215 HydrophobicContact CD2-CD1 3.67Å; L1199-I1215 HydrophobicContact CD2-CG1 4.33Å; L1199-A1219 HydrophobicContact CB-CB 4.43Å; L1199-A1219 HydrophobicContact CD2-CB 4.27Å; L1199-P1221 HydrophobicContact CD2-CB 4.33Å; L1199-P1231 HydrophobicContact CB-CG 4.45Å; L1199-P1231 HydrophobicContact CD2-CB 4.38Å; L1199-P1231 HydrophobicContact CD2-CG 3.92Å; L1199-P1231 HydrophobicContact CG-CB 4.01Å; L1199-P1231 HydrophobicContact CG-CG 3.84Å; L1199-L1247 HydrophobicContact CD1-CD2 4.08Å
1200	H	98	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-44.4	172.6	-71.1	78.8	0	0	0	111.5	Q1196 T1197 A1203 A1204 I1223 K1229 P1231 L1234	Q1196-H1200 HydrophobicContact CB-CB 3.59Å; Q1196-H1200 HydrophobicContact CG-CB 3.93Å; T1197-H1200 PolarHBondContact N-ND1 2.72Å; T1197-H1200 WeakPolarHBondContact O-CA 3.46Å; T1197-H1200 VanDerWaalsContact O-CB 3.32Å; T1197-H1200 WeakPolarHBondContact O-CB 3.49Å; T1197-H1200 PolarHBondContact O-N 3.32Å; T1197-H1200 PolarHBondContact OG1-ND1 2.93Å; H1200-A1203 PolarHBondContact O-N 3.3Å; H1200-A1204 WeakPolarHBondContact O-CB 3.5Å; H1200-A1204 PolarHBondContact O-N 3.16Å; H1200-I1223 PolarHBondContact CE1-O 3.13Å; H1200-I1223 PolarHBondContact NE2-O 3.25Å; H1200-I1223 VanDerWaalsContact NE2-O 3.11Å; H1200-K1229 PolarHBondContact CD2-O 2.74Å; H1200-K1229 VanDerWaalsContact CD2-O 3.29Å; H1200-K1229 PolarHBondContact NE2-O 2.95Å; H1200-K1229 VanDerWaalsContact NE2-O 3.14Å; H1200-P1231 WeakPolarHBondContact NE2-CD 3.36Å; H1200-L1234 HydrophobicContact CB-CD1 3.71Å
1201	K	97	Very high	94.7	Very high	24 Å²	24	44.6 Å²	44.6	10%	0.104	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-44.6	176.2	-55.5	-56	178.4	-173.5	0	111.3	H1164 A1167 K1168 E1191 Q1196 T1197 A1198 A1203 S1205	H1164-K1201 HydrophobicContact CB-CG 4.47Å; A1167-K1201 HydrophobicContact CB-CB 4.45Å; K1168-K1201 HydrophobicContact CB-CB 4.47Å; E1191-K1201 VanDerWaalsContact CD-NZ 3.3Å; E1191-K1201 VanDerWaalsContact CG-CE 3.43Å; E1191-K1201 WeakPolarHBondContact OE1-CE 3.44Å; E1191-K1201 IonicContact OE1-NZ 2.58Å; E1191-K1201 PolarHBondContact OE1-NZ 2.79Å; Q1196-K1201 HydrophobicContact CB-CD 4.2Å; T1197-K1201 PolarHBondContact O-N 3.46Å; A1198-K1201 PolarHBondContact O-N 3.24Å; K1201-A1203 VanDerWaalsContact C-N 3.33Å; K1201-A1203 PolarHBondContact O-N 3Å; K1201-S1205 WeakPolarHBondContact O-CB 3.18Å; K1201-S1205 PolarHBondContact O-N 3.33Å; K1201-S1205 PolarHBondContact O-OG 2.97Å
1202	A	97.6	Very high	94.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-42	174.9	0	0	0	0	0	112.3	A1167 A1198 L1199 S1205 R1206 R1207 I1210 C1211 L1214	A1167-A1202 HydrophobicContact CB-CB 4.15Å; A1198-A1202 WeakPolarHBondContact O-CB 3.38Å; A1198-A1202 PolarHBondContact O-N 3.03Å; L1199-A1202 PolarHBondContact O-N 3.03Å; A1202-S1205 CarbonylContact O-C 3.52Å; A1202-R1206 PolarHBondContact O-N 2.95Å; A1202-R1206 VanDerWaalsContact O-N 3.13Å; A1202-R1207 HydrophobicContact CB-CB 4.26Å; A1202-R1207 PolarHBondContact O-N 3.45Å; A1202-I1210 HydrophobicContact CB-CB 4.32Å; A1202-I1210 HydrophobicContact CB-CG2 3.83Å; A1202-C1211 VanDerWaalsContact C-SG 3.58Å; A1202-C1211 VanDerWaalsContact CB-SG 3.55Å; A1202-L1214 HydrophobicContact CB-CD1 4.19Å
1203	A	97.5	Very high	95	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.4	-45.9	-179.2	0	0	0	0	0	112.7	L1199 H1200 K1201 S1205 R1206 P1231 L1234 A1235 L1247	L1199-A1203 VanDerWaalsContact O-CB 3.3Å; L1199-A1203 WeakPolarHBondContact O-CB 3.45Å; L1199-A1203 PolarHBondContact O-N 3.05Å; H1200-A1203 PolarHBondContact O-N 3.3Å; K1201-A1203 VanDerWaalsContact C-N 3.33Å; K1201-A1203 PolarHBondContact O-N 3Å; A1203-S1205 VanDerWaalsContact C-N 3.31Å; A1203-S1205 PolarHBondContact O-N 3.41Å; A1203-R1206 PolarHBondContact O-N 3.49Å; A1203-P1231 HydrophobicContact CB-CB 3.92Å; A1203-P1231 VanDerWaalsContact CB-O 3.29Å; A1203-P1231 WeakPolarHBondContact CB-O 3.37Å; A1203-L1234 HydrophobicContact CB-CB 4.49Å; A1203-A1235 HydrophobicContact CB-CB 4.35Å; A1203-L1247 HydrophobicContact CB-CD1 3.79Å
1204	A	96.5	Very high	95.4	Very high	41 Å²	41	40.4 Å²	40.4	34%	0.339	19%	0.191	S	C	.	.	H	α-helix	trans	-60.2	-40.9	174.5	0	0	0	0	0	112	H1200 R1206 L1234 A1238	H1200-A1204 WeakPolarHBondContact O-CB 3.5Å; H1200-A1204 PolarHBondContact O-N 3.16Å; A1204-R1206 PolarHBondContact O-N 3.18Å; A1204-L1234 HydrophobicContact CB-CB 4.3Å; A1204-L1234 HydrophobicContact CB-CD1 4.46Å; A1204-A1238 VanDerWaalsContact O-CB 3.26Å; A1204-A1238 WeakPolarHBondContact O-CB 3.43Å
1205	S	96.1	Very high	95.5	Very high	40 Å²	40	38.2 Å²	38.2	28%	0.28	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	12	175	-64.8	0	0	0	0	114.3	K1168 K1201 A1202 A1203 R1207	K1168-S1205 WeakPolarHBondContact O-CB 3.31Å; K1168-S1205 PolarHBondContact O-OG 3.49Å; K1168-S1205 VanDerWaalsContact O-OG 3.04Å; K1201-S1205 WeakPolarHBondContact O-CB 3.18Å; K1201-S1205 PolarHBondContact O-N 3.33Å; K1201-S1205 PolarHBondContact O-OG 2.97Å; A1202-S1205 CarbonylContact O-C 3.52Å; A1203-S1205 VanDerWaalsContact C-N 3.31Å; A1203-S1205 PolarHBondContact O-N 3.41Å; S1205-R1207 VanDerWaalsContact O-CD 3.26Å; S1205-R1207 WeakPolarHBondContact O-CD 3.28Å; S1205-R1207 PolarHBondContact O-N 3.1Å; S1205-R1207 VanDerWaalsContact O-N 3.11Å; S1205-R1207 PolarHBondContact O-NE 2.85Å
1206	R	96.6	Very high	95.2	Very high	150 Å²	150	39.6 Å²	39.6	57%	0.566	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	25.5	175.9	-51.5	175.5	-126.2	-170.4	2.7	114.5	A1202 A1203 A1204 R1208 A1238 D1240	A1202-R1206 PolarHBondContact O-N 2.95Å; A1202-R1206 VanDerWaalsContact O-N 3.13Å; A1203-R1206 PolarHBondContact O-N 3.49Å; A1204-R1206 PolarHBondContact O-N 3.18Å; R1206-R1208 VanDerWaalsContact C-N 3.26Å; R1206-R1208 PolarHBondContact O-N 2.95Å; R1206-A1238 WeakPolarHBondContact CD-O 3.41Å; R1206-A1238 HydrophobicContact CG-CB 3.63Å; R1206-A1238 PolarHBondContact NE-O 3.34Å; R1206-A1238 VanDerWaalsContact NE-O 3.09Å; R1206-A1238 PolarHBondContact NH1-O 2.88Å; R1206-D1240 HydrophobicContact CG-CB 4.22Å
1207	R	96.1	Very high	94.7	Very high	92 Å²	92	40.4 Å²	40.4	35%	0.347	20%	0.203	S	C	.	.			trans	-79.3	68.2	-175.6	-51.5	-55.7	-175.5	173.1	-4.1	111.3	A1167 K1168 F1169 A1202 S1205 V1209 I1210 C1211	A1167-R1207 WeakPolarHBondContact O-CG 3.46Å; K1168-R1207 PolarHBondContact O-NE 3.45Å; K1168-R1207 VanDerWaalsContact O-NE 3.13Å; K1168-R1207 PolarHBondContact O-NH2 3.04Å; F1169-R1207 VanDerWaalsContact C-CZ 3.48Å; F1169-R1207 VanDerWaalsContact C-NH2 3.31Å; F1169-R1207 PolarHBondContact O-NH1 2.9Å; F1169-R1207 PolarHBondContact O-NH2 2.93Å; A1202-R1207 HydrophobicContact CB-CB 4.26Å; A1202-R1207 PolarHBondContact O-N 3.45Å; S1205-R1207 VanDerWaalsContact O-CD 3.26Å; S1205-R1207 WeakPolarHBondContact O-CD 3.28Å; S1205-R1207 PolarHBondContact O-N 3.1Å; S1205-R1207 VanDerWaalsContact O-N 3.11Å; S1205-R1207 PolarHBondContact O-NE 2.85Å; R1207-V1209 PolarHBondContact O-N 3.11Å; R1207-V1209 VanDerWaalsContact O-N 3.07Å; R1207-I1210 HydrophobicContact CB-CB 4.02Å; R1207-I1210 HydrophobicContact CB-CD1 4.23Å; R1207-I1210 HydrophobicContact CB-CG1 4.36Å; R1207-I1210 PolarHBondContact O-N 2.97Å; R1207-C1211 PolarHBondContact O-N 3.28Å; R1207-C1211 PolarHBondContact O-SG 3.47Å
1208	R	94.4	Very high	94.1	Very high	110 Å²	110	42.9 Å²	42.9	42%	0.415	23%	0.228	S	C	.	.	H	α-helix	trans	-46.5	-40.4	-176.1	-66.4	176.9	176	-166.2	-6.8	114.9	R1206 K1212 D1240 L1243	R1206-R1208 VanDerWaalsContact C-N 3.26Å; R1206-R1208 PolarHBondContact O-N 2.95Å; R1208-K1212 WeakPolarHBondContact O-CG 3.35Å; R1208-K1212 PolarHBondContact O-N 3.07Å; R1208-D1240 WeakPolarHBondContact CG-OD2 3.26Å; R1208-D1240 IonicContact CZ-OD1 3.8Å; R1208-D1240 IonicContact CZ-OD2 3.29Å; R1208-D1240 IonicContact NE-OD1 2.73Å; R1208-D1240 PolarHBondContact NE-OD1 2.89Å; R1208-D1240 IonicContact NE-OD2 2.7Å; R1208-D1240 PolarHBondContact NE-OD2 3Å; R1208-D1240 IonicContact NH2-OD1 2.69Å; R1208-D1240 PolarHBondContact NH2-OD1 3.09Å; R1208-D1240 IonicContact NH2-OD2 3.17Å; R1208-D1240 PolarHBondContact NH2-OD2 2.66Å; R1208-L1243 HydrophobicContact CG-CB 4.18Å; R1208-L1243 HydrophobicContact CG-CD1 4.4Å; R1208-L1243 HydrophobicContact CG-CD2 4.12Å; R1208-L1243 HydrophobicContact CG-CG 4.47Å
1209	V	93.7	Very high	93.8	Very high	84 Å²	84	43 Å²	43	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-70.2	-48.8	-179.8	179	0	0	0	0	110.7	V1172 R1207 C1211 K1212 I1213	V1172-V1209 HydrophobicContact CG1-CG1 4.35Å; V1172-V1209 HydrophobicContact CG2-CB 4.43Å; V1172-V1209 HydrophobicContact CG2-CG1 4.1Å; R1207-V1209 PolarHBondContact O-N 3.11Å; R1207-V1209 VanDerWaalsContact O-N 3.07Å; V1209-C1211 VanDerWaalsContact C-N 3.32Å; V1209-C1211 PolarHBondContact O-N 2.88Å; V1209-K1212 WeakPolarHBondContact O-CB 3.36Å; V1209-K1212 PolarHBondContact O-N 2.98Å; V1209-K1212 VanDerWaalsContact O-N 3.09Å; V1209-I1213 HydrophobicContact CG1-CD1 3.82Å; V1209-I1213 WeakPolarHBondContact O-CG1 3.39Å; V1209-I1213 PolarHBondContact O-N 3.21Å
1210	I	95.9	Very high	93.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-40.3	177	-64.7	178.9	0	0	0	111.1	A1167 G1170 V1172 I1175 A1202 R1207 K1212 I1213 L1214	A1167-I1210 HydrophobicContact CB-CG2 4.21Å; G1170-I1210 VanDerWaalsContact C-CD1 3.47Å; V1172-I1210 HydrophobicContact CG2-CD1 4.38Å; V1172-I1210 HydrophobicContact CG2-CG1 3.94Å; I1175-I1210 HydrophobicContact CD1-CG2 4.43Å; I1175-I1210 HydrophobicContact CG1-CD1 4Å; I1175-I1210 HydrophobicContact CG1-CG1 4.29Å; I1175-I1210 HydrophobicContact CG1-CG2 4.13Å; A1202-I1210 HydrophobicContact CB-CB 4.32Å; A1202-I1210 HydrophobicContact CB-CG2 3.83Å; R1207-I1210 HydrophobicContact CB-CB 4.02Å; R1207-I1210 HydrophobicContact CB-CD1 4.23Å; R1207-I1210 HydrophobicContact CB-CG1 4.36Å; R1207-I1210 PolarHBondContact O-N 2.97Å; I1210-K1212 PolarHBondContact O-N 2.95Å; I1210-I1213 PolarHBondContact O-N 3.48Å; I1210-I1213 VanDerWaalsContact O-N 3.15Å; I1210-L1214 HydrophobicContact CG2-CD1 3.67Å; I1210-L1214 HydrophobicContact CG2-CG 3.93Å; I1210-L1214 WeakPolarHBondContact O-CB 3.39Å; I1210-L1214 WeakPolarHBondContact O-CG 3.41Å; I1210-L1214 PolarHBondContact O-N 3.49Å
1211	C	96.2	Very high	93	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.9	-38.3	175.2	-62.2	0	0	0	0	112.1	L1199 A1202 R1207 V1209 I1215 L1243 L1247	L1199-C1211 HydrophobicContact CD1-CB 4.1Å; A1202-C1211 VanDerWaalsContact C-SG 3.58Å; A1202-C1211 VanDerWaalsContact CB-SG 3.55Å; R1207-C1211 PolarHBondContact O-N 3.28Å; R1207-C1211 PolarHBondContact O-SG 3.47Å; V1209-C1211 VanDerWaalsContact C-N 3.32Å; V1209-C1211 PolarHBondContact O-N 2.88Å; C1211-I1215 WeakPolarHBondContact O-CB 3.46Å; C1211-I1215 WeakPolarHBondContact O-CG1 3.35Å; C1211-I1215 PolarHBondContact O-N 2.91Å; C1211-L1243 HydrophobicContact CB-CD1 3.74Å; C1211-L1247 HydrophobicContact CB-CD2 4.48Å
1212	K	93.5	Very high	92.6	Very high	112 Å²	112	43.8 Å²	43.8	49%	0.487	24%	0.237	S	C	.	.	H	α-helix	trans	-69.8	-44	174.6	-71.9	178.8	172.4	-168.9	0	112.3	R1208 V1209 I1210 I1215 T1216 Y1246	R1208-K1212 WeakPolarHBondContact O-CG 3.35Å; R1208-K1212 PolarHBondContact O-N 3.07Å; V1209-K1212 WeakPolarHBondContact O-CB 3.36Å; V1209-K1212 PolarHBondContact O-N 2.98Å; V1209-K1212 VanDerWaalsContact O-N 3.09Å; I1210-K1212 PolarHBondContact O-N 2.95Å; K1212-I1215 PolarHBondContact O-N 2.87Å; K1212-T1216 WeakPolarHBondContact O-CB 3.46Å; K1212-T1216 PolarHBondContact O-N 3.36Å; K1212-T1216 PolarHBondContact O-OG1 3.35Å; K1212-Y1246 HydrophobicContact CG-CE1 3.89Å; K1212-Y1246 HydrophobicContact CG-CE2 4.22Å
1213	I	93.3	Very high	92.2	Very high	34 Å²	34	45.7 Å²	45.7	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-47.1	179.9	-68.2	169.1	0	0	0	110.5	V1172 I1175 E1176 L1179 V1209 I1210 T1216 A1217	V1172-I1213 HydrophobicContact CG1-CD1 3.81Å; I1175-I1213 HydrophobicContact CG2-CG2 3.85Å; E1176-I1213 HydrophobicContact CG-CD1 4.15Å; L1179-I1213 HydrophobicContact CD1-CG2 3.42Å; L1179-I1213 VanDerWaalsContact CD1-CG2 3.42Å; V1209-I1213 HydrophobicContact CG1-CD1 3.82Å; V1209-I1213 WeakPolarHBondContact O-CG1 3.39Å; V1209-I1213 PolarHBondContact O-N 3.21Å; I1210-I1213 PolarHBondContact O-N 3.48Å; I1210-I1213 VanDerWaalsContact O-N 3.15Å; I1213-T1216 PolarHBondContact O-N 2.85Å; I1213-T1216 VanDerWaalsContact O-N 3.15Å; I1213-A1217 PolarHBondContact O-N 3.43Å
1214	L	93.7	Very high	91.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-47.3	177.3	-70	175.6	0	0	0	112.2	L1163 I1175 L1179 A1198 L1199 A1202 I1210 T1216 A1217 G1218 A1219	L1163-L1214 HydrophobicContact CD1-CD2 4.18Å; L1163-L1214 HydrophobicContact CD2-CD2 3.84Å; L1163-L1214 HydrophobicContact CG-CD2 4.11Å; I1175-L1214 HydrophobicContact CG2-CD2 4.37Å; L1179-L1214 HydrophobicContact CD2-CD2 4.45Å; A1198-L1214 HydrophobicContact CB-CD1 4.16Å; L1199-L1214 HydrophobicContact CB-CD1 4.2Å; L1199-L1214 HydrophobicContact CD1-CB 4.23Å; L1199-L1214 HydrophobicContact CD1-CD1 4.39Å; A1202-L1214 HydrophobicContact CB-CD1 4.19Å; I1210-L1214 HydrophobicContact CG2-CD1 3.67Å; I1210-L1214 HydrophobicContact CG2-CG 3.93Å; I1210-L1214 WeakPolarHBondContact O-CB 3.39Å; I1210-L1214 WeakPolarHBondContact O-CG 3.41Å; I1210-L1214 PolarHBondContact O-N 3.49Å; L1214-T1216 VanDerWaalsContact C-N 3.27Å; L1214-T1216 PolarHBondContact O-N 2.96Å; L1214-A1217 CarbonylContact O-C 3.48Å; L1214-A1217 WeakPolarHBondContact O-CA 3.48Å; L1214-A1217 PolarHBondContact O-N 3.4Å; L1214-A1217 VanDerWaalsContact O-N 3.09Å; L1214-G1218 PolarHBondContact O-N 2.98Å; L1214-A1219 HydrophobicContact CB-CB 3.86Å; L1214-A1219 WeakPolarHBondContact O-CB 3.13Å; L1214-A1219 PolarHBondContact O-N 3.49Å
1215	I	91	Very high	91.6	Very high	26 Å²	26	47.1 Å²	47.1	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-39.8	174	-66.9	-75.5	0	0	0	111.4	L1199 C1211 K1212 A1217 G1218 P1221 Y1246 L1247 E1250	L1199-I1215 HydrophobicContact CD1-CD1 4.45Å; L1199-I1215 HydrophobicContact CD1-CG1 4.25Å; L1199-I1215 HydrophobicContact CD2-CD1 3.67Å; L1199-I1215 HydrophobicContact CD2-CG1 4.33Å; C1211-I1215 WeakPolarHBondContact O-CB 3.46Å; C1211-I1215 WeakPolarHBondContact O-CG1 3.35Å; C1211-I1215 PolarHBondContact O-N 2.91Å; K1212-I1215 PolarHBondContact O-N 2.87Å; I1215-A1217 VanDerWaalsContact C-N 3.26Å; I1215-A1217 PolarHBondContact O-N 3.41Å; I1215-G1218 PolarHBondContact O-N 3.38Å; I1215-G1218 VanDerWaalsContact O-N 3.12Å; I1215-P1221 HydrophobicContact CD1-CB 3.74Å; I1215-P1221 HydrophobicContact CD1-CG 4.04Å; I1215-Y1246 HydrophobicContact CG1-CE1 4.33Å; I1215-L1247 HydrophobicContact CD1-CD2 4.43Å; I1215-L1247 HydrophobicContact CG1-CD2 4.48Å; I1215-E1250 HydrophobicContact CD1-CB 4.06Å; I1215-E1250 HydrophobicContact CG2-CB 4.36Å; I1215-E1250 HydrophobicContact CG2-CG 4.15Å
1216	T	85.3	Confident	91.2	Very high	95 Å²	95	49.4 Å²	49.4	58%	0.583	26%	0.259	S	S	*	.	H	α-helix	trans	-69.7	-26	179	-50.4	0	0	0	0	111.8	K1212 I1213 L1214 G1218	K1212-T1216 WeakPolarHBondContact O-CB 3.46Å; K1212-T1216 PolarHBondContact O-N 3.36Å; K1212-T1216 PolarHBondContact O-OG1 3.35Å; I1213-T1216 PolarHBondContact O-N 2.85Å; I1213-T1216 VanDerWaalsContact O-N 3.15Å; L1214-T1216 VanDerWaalsContact C-N 3.27Å; L1214-T1216 PolarHBondContact O-N 2.96Å; T1216-G1218 VanDerWaalsContact C-N 3.3Å
1217	A	85.4	Confident	90.8	Very high	37 Å²	37	49 Å²	49	31%	0.306	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	15.8	171.8	0	0	0	0	0	113.5	L1179 I1187 I1213 L1214 I1215	L1179-A1217 HydrophobicContact CD1-CB 3.91Å; L1179-A1217 HydrophobicContact CD2-CB 3.78Å; L1179-A1217 HydrophobicContact CG-CB 4.38Å; I1187-A1217 HydrophobicContact CD1-CB 4.29Å; I1187-A1217 WeakPolarHBondContact CD1-O 3.41Å; I1213-A1217 PolarHBondContact O-N 3.43Å; L1214-A1217 CarbonylContact O-C 3.48Å; L1214-A1217 WeakPolarHBondContact O-CA 3.48Å; L1214-A1217 PolarHBondContact O-N 3.4Å; L1214-A1217 VanDerWaalsContact O-N 3.09Å; I1215-A1217 VanDerWaalsContact C-N 3.26Å; I1215-A1217 PolarHBondContact O-N 3.41Å
1218	G	84.9	Confident	90.4	Very high	52 Å²	52	46.6 Å²	46.6	54%	0.536	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-1.4	172.6	0	0	0	0	0	116.6	L1214 I1215 T1216 C1220	L1214-G1218 PolarHBondContact O-N 2.98Å; I1215-G1218 PolarHBondContact O-N 3.38Å; I1215-G1218 VanDerWaalsContact O-N 3.12Å; T1216-G1218 VanDerWaalsContact C-N 3.3Å; G1218-C1220 PolarHBondContact O-N 2.91Å
1219	A	90.3	Very high	90.3	Very high	3 Å²	3	45.8 Å²	45.8	3%	0.025	26%	0.262	C	S	.	.			trans	-55.5	127.3	-178.7	0	0	0	0	0	112.1	I1187 L1199 L1214 P1221	I1187-A1219 HydrophobicContact CG2-CB 3.54Å; L1199-A1219 HydrophobicContact CB-CB 4.43Å; L1199-A1219 HydrophobicContact CD2-CB 4.27Å; L1214-A1219 HydrophobicContact CB-CB 3.86Å; L1214-A1219 WeakPolarHBondContact O-CB 3.13Å; L1214-A1219 PolarHBondContact O-N 3.49Å; A1219-P1221 VanDerWaalsContact O-CD 3.26Å; A1219-P1221 WeakPolarHBondContact O-CD 3.41Å
1220	C	87.7	Confident	90.3	Very high	11 Å²	11	44 Å²	44	7%	0.074	25%	0.248	C	C	.	.			trans	-71.6	115.1	-175.4	-179.2	0	0	0	0	111.5	D1188 G1218 T1222 I1223 F1254	D1188-C1220 PolarHBondContact OD1-N 2.87Å; D1188-C1220 WeakPolarHBondContact OD2-CB 3.35Å; D1188-C1220 PolarHBondContact OD2-N 3.07Å; G1218-C1220 PolarHBondContact O-N 2.91Å; C1220-T1222 VanDerWaalsContact C-N 3.25Å; C1220-T1222 PolarHBondContact O-N 2.91Å; C1220-T1222 PolarHBondContact SG-N 2.8Å; C1220-T1222 VanDerWaalsContact SG-N 3.44Å; C1220-T1222 PolarHBondContact SG-OG1 2.81Å; C1220-I1223 HydrophobicContact CB-CD1 3.74Å; C1220-I1223 HydrophobicContact CB-CG1 4Å; C1220-F1254 HydrophobicContact CB-CE2 3.86Å; C1220-F1254 HydrophobicContact CB-CZ 3.86Å; C1220-F1254 VanDerWaalsContact SG-CE1 3.51Å; C1220-F1254 WeakPolarHBondContact SG-CZ 3.17Å
1221	P	90.8	Very high	90.3	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.019	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.7	176.5	30.7	-32.6	0	0	0	113.4	L1199 I1215 A1219 P1231 E1250 E1251 F1254	L1199-P1221 HydrophobicContact CD2-CB 4.33Å; I1215-P1221 HydrophobicContact CD1-CB 3.74Å; I1215-P1221 HydrophobicContact CD1-CG 4.04Å; A1219-P1221 VanDerWaalsContact O-CD 3.26Å; A1219-P1221 WeakPolarHBondContact O-CD 3.41Å; P1221-P1231 VanDerWaalsContact O-CD 3.28Å; P1221-P1231 WeakPolarHBondContact O-CD 3.3Å; P1221-E1250 HydrophobicContact CB-CB 4.41Å; P1221-E1250 HydrophobicContact CG-CB 4.31Å; P1221-E1250 WeakPolarHBondContact CG-O 3.19Å; P1221-E1251 HydrophobicContact CB-CG 3.89Å; P1221-E1251 WeakPolarHBondContact O-CG 3.4Å; P1221-F1254 VanDerWaalsContact CD-CD2 3.49Å; P1221-F1254 HydrophobicContact CG-CB 3.7Å; P1221-F1254 HydrophobicContact CG-CD2 4.24Å; P1221-F1254 HydrophobicContact CG-CG 4.1Å
1222	T	88.6	Confident	90.2	Very high	27 Å²	27	43.9 Å²	43.9	17%	0.166	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-13	-171.7	64.1	0	0	0	0	115	C1220 Q1230 E1251 F1254 I1255	C1220-T1222 VanDerWaalsContact C-N 3.25Å; C1220-T1222 PolarHBondContact O-N 2.91Å; C1220-T1222 PolarHBondContact SG-N 2.8Å; C1220-T1222 VanDerWaalsContact SG-N 3.44Å; C1220-T1222 PolarHBondContact SG-OG1 2.81Å; T1222-Q1230 WeakPolarHBondContact O-CG 3.46Å; T1222-Q1230 PolarHBondContact O-NE2 3.14Å; T1222-E1251 HydrophobicContact CG2-CB 4.34Å; T1222-F1254 HydrophobicContact CG2-CB 4.28Å; T1222-F1254 HydrophobicContact CG2-CD1 3.78Å; T1222-F1254 HydrophobicContact CG2-CG 4.31Å; T1222-I1255 HydrophobicContact CG2-CD1 4.11Å; T1222-I1255 HydrophobicContact CG2-CG1 3.79Å
1223	I	88.8	Confident	90.2	Very high	40 Å²	40	40.7 Å²	40.7	21%	0.205	24%	0.235	C	C	.	.			trans	-56.9	143.5	173	-69.5	169.1	0	0	0	109.9	D1188 Q1190 T1197 H1200 C1220 Q1230	D1188-I1223 HydrophobicContact CB-CD1 3.7Å; Q1190-I1223 HydrophobicContact CG-CG2 4.21Å; T1197-I1223 HydrophobicContact CG2-CB 4.48Å; T1197-I1223 HydrophobicContact CG2-CD1 4.03Å; T1197-I1223 HydrophobicContact CG2-CG2 3.96Å; H1200-I1223 PolarHBondContact CE1-O 3.13Å; H1200-I1223 PolarHBondContact NE2-O 3.25Å; H1200-I1223 VanDerWaalsContact NE2-O 3.11Å; C1220-I1223 HydrophobicContact CB-CD1 3.74Å; C1220-I1223 HydrophobicContact CB-CG1 4Å; I1223-Q1230 WeakPolarHBondContact O-CA 3.34Å; I1223-Q1230 WeakPolarHBondContact O-CG 3.22Å
1224	T	91	Very high	90.3	Very high	66 Å²	66	39.6 Å²	39.6	41%	0.405	23%	0.23	S	C	.	.			trans	-109.7	143	175.7	48.4	0	0	0	0	112.5	Q1190 Q1230	Q1190-T1224 PolarHBondContact NE2-O 3.42Å; T1224-Q1230 HydrophobicContact CG2-CG 3.81Å
1225	D	89.3	Confident	90.4	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.027	23%	0.23	C	C	.	.			trans	-67.3	170.7	161	87.8	-3.8	0	0	0	112.7	K1194 Q1196 Y1227 G1228 K1229	K1194-D1225 WeakPolarHBondContact O-CA 3.29Å; K1194-D1225 VanDerWaalsContact O-CB 3.26Å; K1194-D1225 WeakPolarHBondContact O-CB 3.32Å; Q1196-D1225 HydrophobicContact CG-CB 3.45Å; Q1196-D1225 VanDerWaalsContact CG-CB 3.45Å; Q1196-D1225 PolarHBondContact NE2-OD2 3.34Å; D1225-Y1227 PolarHBondContact O-N 3.45Å; D1225-Y1227 WeakPolarHBondContact OD1-CA 3.21Å; D1225-Y1227 WeakPolarHBondContact OD1-CB 3.4Å; D1225-Y1227 PolarHBondContact OD1-N 3.43Å; D1225-G1228 PolarHBondContact O-N 2.99Å; D1225-G1228 PolarHBondContact OD1-N 2.91Å; D1225-K1229 PolarHBondContact N-O 2.68Å; D1225-K1229 VanDerWaalsContact N-O 3.12Å; D1225-K1229 WeakPolarHBondContact OD1-CA 3.22Å; D1225-K1229 VanDerWaalsContact OD1-CB 3.26Å; D1225-K1229 WeakPolarHBondContact OD1-CB 3.12Å; D1225-K1229 PolarHBondContact OD1-N 3.39Å
1226	I	88.9	Confident	90.5	Very high	88 Å²	88	42 Å²	42	45%	0.451	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-16	-178	62	171.5	0	0	0	114.5	E1193 K1194 N1195 G1228	E1193-I1226 WeakPolarHBondContact O-CD1 3.11Å; K1194-I1226 HydrophobicContact CB-CG1 4.45Å; K1194-I1226 PolarHBondContact O-N 3.14Å; N1195-I1226 HydrophobicContact CB-CG2 3.73Å; N1195-I1226 VanDerWaalsContact CG-CG2 3.46Å; I1226-G1228 VanDerWaalsContact C-N 3.32Å
1227	Y	88.3	Confident	90.9	Very high	142 Å²	142	46 Å²	46	56%	0.557	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	10.8	176.9	-50.2	-76	0	0	0	111.9	K1194 D1225 K1229	K1194-Y1227 HydrophobicContact CG-CE2 4.18Å; D1225-Y1227 PolarHBondContact O-N 3.45Å; D1225-Y1227 WeakPolarHBondContact OD1-CA 3.21Å; D1225-Y1227 WeakPolarHBondContact OD1-CB 3.4Å; D1225-Y1227 PolarHBondContact OD1-N 3.43Å; Y1227-K1229 VanDerWaalsContact C-N 3.35Å; Y1227-K1229 WeakPolarHBondContact O-CE 3.4Å; Y1227-K1229 PolarHBondContact O-NZ 3.44Å
1228	G	87.6	Confident	91.3	Very high	41 Å²	41	44.9 Å²	44.9	42%	0.423	24%	0.243	S	C	.	.	S	Bend	trans	67.2	32.8	-174	0	0	0	0	0	112.4	D1225 I1226	D1225-G1228 PolarHBondContact O-N 2.99Å; D1225-G1228 PolarHBondContact OD1-N 2.91Å; I1226-G1228 VanDerWaalsContact C-N 3.32Å
1229	K	91.4	Very high	91.7	Very high	92 Å²	92	49 Å²	49	40%	0.4	25%	0.253	S	S	.	.			trans	-111.7	108.5	-177.4	-51.8	-65.8	169.1	-95.7	0	111.1	H1200 D1225 Y1227 N1233 L1234	H1200-K1229 PolarHBondContact CD2-O 2.74Å; H1200-K1229 VanDerWaalsContact CD2-O 3.29Å; H1200-K1229 PolarHBondContact NE2-O 2.95Å; H1200-K1229 VanDerWaalsContact NE2-O 3.14Å; D1225-K1229 PolarHBondContact N-O 2.68Å; D1225-K1229 VanDerWaalsContact N-O 3.12Å; D1225-K1229 WeakPolarHBondContact OD1-CA 3.22Å; D1225-K1229 VanDerWaalsContact OD1-CB 3.26Å; D1225-K1229 WeakPolarHBondContact OD1-CB 3.12Å; D1225-K1229 PolarHBondContact OD1-N 3.39Å; Y1227-K1229 VanDerWaalsContact C-N 3.35Å; Y1227-K1229 WeakPolarHBondContact O-CE 3.4Å; Y1227-K1229 PolarHBondContact O-NZ 3.44Å; K1229-N1233 HydrophobicContact CB-CB 4.16Å; K1229-N1233 HydrophobicContact CD-CB 4.09Å; K1229-L1234 HydrophobicContact CB-CD2 4.07Å; K1229-L1234 HydrophobicContact CB-CG 4.44Å
1230	Q	94	Very high	91.9	Very high	47 Å²	47	49.1 Å²	49.1	22%	0.22	25%	0.253	C	S	.	.			trans	-61.6	161.9	164.6	-70.4	169	-34.4	0	0	112	T1222 I1223 T1224 S1232 N1233 L1234	T1222-Q1230 WeakPolarHBondContact O-CG 3.46Å; T1222-Q1230 PolarHBondContact O-NE2 3.14Å; I1223-Q1230 WeakPolarHBondContact O-CA 3.34Å; I1223-Q1230 WeakPolarHBondContact O-CG 3.22Å; T1224-Q1230 HydrophobicContact CG2-CG 3.81Å; Q1230-S1232 VanDerWaalsContact C-N 3.27Å; Q1230-S1232 PolarHBondContact O-N 2.95Å; Q1230-N1233 WeakPolarHBondContact O-CB 3.41Å; Q1230-N1233 PolarHBondContact O-N 3.04Å; Q1230-L1234 PolarHBondContact O-N 3.12Å
1231	P	95.9	Very high	91.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-53.7	-36.7	179	-26.9	36.5	0	0	0	114.1	L1199 H1200 A1203 P1221 N1233 L1234 A1235 L1247	L1199-P1231 HydrophobicContact CB-CG 4.45Å; L1199-P1231 HydrophobicContact CD2-CB 4.38Å; L1199-P1231 HydrophobicContact CD2-CG 3.92Å; L1199-P1231 HydrophobicContact CG-CB 4.01Å; L1199-P1231 HydrophobicContact CG-CG 3.84Å; H1200-P1231 WeakPolarHBondContact NE2-CD 3.36Å; A1203-P1231 HydrophobicContact CB-CB 3.92Å; A1203-P1231 VanDerWaalsContact CB-O 3.29Å; A1203-P1231 WeakPolarHBondContact CB-O 3.37Å; P1221-P1231 VanDerWaalsContact O-CD 3.28Å; P1221-P1231 WeakPolarHBondContact O-CD 3.3Å; P1231-N1233 VanDerWaalsContact C-N 3.3Å; P1231-N1233 PolarHBondContact O-N 3.08Å; P1231-L1234 PolarHBondContact O-N 2.89Å; P1231-A1235 PolarHBondContact O-N 2.98Å; P1231-L1247 HydrophobicContact CB-CD1 3.98Å; P1231-L1247 HydrophobicContact CB-CD2 4.45Å
1232	S	93.8	Very high	91.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-34.2	177	67.5	0	0	0	0	113.2	Q1230 L1234 A1235 L1236 A1244 K1248 E1251	Q1230-S1232 VanDerWaalsContact C-N 3.27Å; Q1230-S1232 PolarHBondContact O-N 2.95Å; S1232-L1234 VanDerWaalsContact C-N 3.34Å; S1232-A1235 PolarHBondContact O-N 3.42Å; S1232-L1236 WeakPolarHBondContact O-CG 3.14Å; S1232-L1236 PolarHBondContact O-N 2.97Å; S1232-A1244 WeakPolarHBondContact O-CB 3.43Å; S1232-K1248 VanDerWaalsContact CB-CG 3.43Å; S1232-K1248 WeakPolarHBondContact OG-CE 3.47Å; S1232-K1248 WeakPolarHBondContact OG-CG 3.44Å; S1232-E1251 WeakPolarHBondContact CB-OE1 3.24Å; S1232-E1251 PolarHBondContact N-OE1 2.82Å; S1232-E1251 VanDerWaalsContact OG-CD 3.25Å; S1232-E1251 PolarHBondContact OG-OE1 3.27Å; S1232-E1251 PolarHBondContact OG-OE2 2.97Å
1233	N	94.7	Very high	92	Very high	44 Å²	44	57.5 Å²	57.5	24%	0.235	30%	0.296	C	S	.	.	H	α-helix	trans	-72.2	-31.5	177.9	-65	-35.1	0	0	0	110.9	K1229 Q1230 P1231 K1237 K1248	K1229-N1233 HydrophobicContact CB-CB 4.16Å; K1229-N1233 HydrophobicContact CD-CB 4.09Å; Q1230-N1233 WeakPolarHBondContact O-CB 3.41Å; Q1230-N1233 PolarHBondContact O-N 3.04Å; P1231-N1233 VanDerWaalsContact C-N 3.3Å; P1231-N1233 PolarHBondContact O-N 3.08Å; N1233-K1237 WeakPolarHBondContact O-CB 3.44Å; N1233-K1237 PolarHBondContact O-N 3.27Å; N1233-K1248 PolarHBondContact OD1-NZ 3.4Å; N1233-K1248 VanDerWaalsContact OD1-NZ 3.15Å
1234	L	94.6	Very high	92.1	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-70.3	-39	169.7	-61.9	-175.4	0	0	0	112.3	Q1196 H1200 A1203 A1204 K1229 Q1230 P1231 S1232 L1236 K1237 A1238	Q1196-L1234 HydrophobicContact CG-CD1 4.46Å; H1200-L1234 HydrophobicContact CB-CD1 3.71Å; A1203-L1234 HydrophobicContact CB-CB 4.49Å; A1204-L1234 HydrophobicContact CB-CB 4.3Å; A1204-L1234 HydrophobicContact CB-CD1 4.46Å; K1229-L1234 HydrophobicContact CB-CD2 4.07Å; K1229-L1234 HydrophobicContact CB-CG 4.44Å; Q1230-L1234 PolarHBondContact O-N 3.12Å; P1231-L1234 PolarHBondContact O-N 2.89Å; S1232-L1234 VanDerWaalsContact C-N 3.34Å; L1234-L1236 VanDerWaalsContact C-N 3.34Å; L1234-L1236 PolarHBondContact O-N 3.36Å; L1234-K1237 PolarHBondContact O-N 2.93Å; L1234-A1238 WeakPolarHBondContact O-CB 3.23Å; L1234-A1238 PolarHBondContact O-N 3.28Å
1235	A	95.6	Very high	91.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-37.1	172.6	0	0	0	0	0	112.5	A1203 P1231 S1232 A1238 N1239 D1240 L1243 A1244 L1247	A1203-A1235 HydrophobicContact CB-CB 4.35Å; P1231-A1235 PolarHBondContact O-N 2.98Å; S1232-A1235 PolarHBondContact O-N 3.42Å; A1235-A1238 PolarHBondContact O-N 2.7Å; A1235-N1239 PolarHBondContact O-N 3.33Å; A1235-D1240 PolarHBondContact O-N 2.89Å; A1235-L1243 HydrophobicContact CB-CB 4.18Å; A1235-L1243 HydrophobicContact CB-CD2 4.2Å; A1235-L1243 HydrophobicContact CB-CG 3.91Å; A1235-A1244 HydrophobicContact CB-CB 4.01Å; A1235-L1247 HydrophobicContact CB-CD1 4.06Å
1236	L	93.6	Very high	92	Very high	79 Å²	79	59.7 Å²	59.7	41%	0.414	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-48	169.9	-71.5	175.9	0	0	0	111.7	S1232 L1234 A1238 N1239 A1244	S1232-L1236 WeakPolarHBondContact O-CG 3.14Å; S1232-L1236 PolarHBondContact O-N 2.97Å; L1234-L1236 VanDerWaalsContact C-N 3.34Å; L1234-L1236 PolarHBondContact O-N 3.36Å; L1236-A1238 PolarHBondContact O-N 3.01Å; L1236-N1239 PolarHBondContact O-N 3.27Å; L1236-A1244 HydrophobicContact CD2-CB 3.43Å; L1236-A1244 VanDerWaalsContact CD2-CB 3.43Å; L1236-A1244 HydrophobicContact CG-CB 3.52Å
1237	K	93.6	Very high	92.1	Very high	178 Å²	178	55.5 Å²	55.5	77%	0.774	29%	0.285	S	S	*	.	H	α-helix	trans	-59.4	-31.5	176.8	-171.3	-179.8	178.4	-175.7	0	112.2	N1233 L1234 N1239	N1233-K1237 WeakPolarHBondContact O-CB 3.44Å; N1233-K1237 PolarHBondContact O-N 3.27Å; L1234-K1237 PolarHBondContact O-N 2.93Å; K1237-N1239 VanDerWaalsContact C-N 3.27Å; K1237-N1239 PolarHBondContact O-N 3.09Å
1238	A	94.1	Very high	92.1	Very high	13 Å²	13	52.7 Å²	52.7	11%	0.107	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	5.9	175.1	0	0	0	0	0	114.5	A1204 R1206 L1234 A1235 L1236 D1240	A1204-A1238 VanDerWaalsContact O-CB 3.26Å; A1204-A1238 WeakPolarHBondContact O-CB 3.43Å; R1206-A1238 WeakPolarHBondContact CD-O 3.41Å; R1206-A1238 HydrophobicContact CG-CB 3.63Å; R1206-A1238 PolarHBondContact NE-O 3.34Å; R1206-A1238 VanDerWaalsContact NE-O 3.09Å; R1206-A1238 PolarHBondContact NH1-O 2.88Å; L1234-A1238 WeakPolarHBondContact O-CB 3.23Å; L1234-A1238 PolarHBondContact O-N 3.28Å; A1235-A1238 PolarHBondContact O-N 2.7Å; L1236-A1238 PolarHBondContact O-N 3.01Å; A1238-D1240 VanDerWaalsContact C-N 3.33Å; A1238-D1240 PolarHBondContact O-N 2.99Å
1239	N	93.7	Very high	91.8	Very high	139 Å²	139	55.2 Å²	55.2	74%	0.743	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	35.9	-175.7	-67.3	-47.7	0	0	0	114.5	A1235 L1236 K1237 P1241	A1235-N1239 PolarHBondContact O-N 3.33Å; L1236-N1239 PolarHBondContact O-N 3.27Å; K1237-N1239 VanDerWaalsContact C-N 3.27Å; K1237-N1239 PolarHBondContact O-N 3.09Å; N1239-P1241 VanDerWaalsContact C-CD 3.48Å; N1239-P1241 VanDerWaalsContact O-CD 3.26Å; N1239-P1241 WeakPolarHBondContact O-CD 3.48Å
1240	D	94.3	Very high	91.5	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.032	26%	0.255	C	S	.	.			trans	-111.6	80.3	169	-166.1	-16.1	0	0	0	111.8	R1206 R1208 A1235 A1238 Q1242 L1243 A1244	R1206-D1240 HydrophobicContact CG-CB 4.22Å; R1208-D1240 WeakPolarHBondContact CG-OD2 3.26Å; R1208-D1240 IonicContact CZ-OD1 3.8Å; R1208-D1240 IonicContact CZ-OD2 3.29Å; R1208-D1240 IonicContact NE-OD1 2.73Å; R1208-D1240 PolarHBondContact NE-OD1 2.89Å; R1208-D1240 IonicContact NE-OD2 2.7Å; R1208-D1240 PolarHBondContact NE-OD2 3Å; R1208-D1240 IonicContact NH2-OD1 2.69Å; R1208-D1240 PolarHBondContact NH2-OD1 3.09Å; R1208-D1240 IonicContact NH2-OD2 3.17Å; R1208-D1240 PolarHBondContact NH2-OD2 2.66Å; A1235-D1240 PolarHBondContact O-N 2.89Å; A1238-D1240 VanDerWaalsContact C-N 3.33Å; A1238-D1240 PolarHBondContact O-N 2.99Å; D1240-Q1242 PolarHBondContact O-N 3.34Å; D1240-Q1242 PolarHBondContact OD1-N 2.97Å; D1240-L1243 HydrophobicContact CB-CB 3.95Å; D1240-L1243 PolarHBondContact O-N 3.32Å; D1240-L1243 WeakPolarHBondContact OD1-CB 3.49Å; D1240-L1243 PolarHBondContact OD1-N 3.46Å; D1240-L1243 WeakPolarHBondContact OD2-CB 3.37Å; D1240-A1244 WeakPolarHBondContact O-CB 3.33Å; D1240-A1244 PolarHBondContact O-N 2.88Å
1241	P	86.7	Confident	91.1	Very high	83 Å²	83	49.6 Å²	49.6	54%	0.539	25%	0.247	S	C	.	.	H	α-helix	trans	-66.8	-22.9	-179	28	-35.6	0	0	0	113.1	N1239 T1245	N1239-P1241 VanDerWaalsContact C-CD 3.48Å; N1239-P1241 VanDerWaalsContact O-CD 3.26Å; N1239-P1241 WeakPolarHBondContact O-CD 3.48Å; P1241-T1245 WeakPolarHBondContact O-CB 3.33Å; P1241-T1245 PolarHBondContact O-N 3.41Å; P1241-T1245 PolarHBondContact O-OG1 3.2Å
1242	Q	89.3	Confident	90.1	Very high	129 Å²	129	52 Å²	52	60%	0.603	26%	0.26	S	S	*	.	H	α-helix	trans	-74.9	-42.8	177.5	-170	178.3	12.3	0	0	110.7	D1240 T1245 Y1246	D1240-Q1242 PolarHBondContact O-N 3.34Å; D1240-Q1242 PolarHBondContact OD1-N 2.97Å; Q1242-T1245 PolarHBondContact O-N 3.33Å; Q1242-Y1246 PolarHBondContact O-N 3.27Å
1243	L	92.7	Very high	89	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-41.4	172.4	-179	52.6	0	0	0	111.6	R1208 C1211 A1235 D1240 T1245 Y1246 L1247	R1208-L1243 HydrophobicContact CG-CB 4.18Å; R1208-L1243 HydrophobicContact CG-CD1 4.4Å; R1208-L1243 HydrophobicContact CG-CD2 4.12Å; R1208-L1243 HydrophobicContact CG-CG 4.47Å; C1211-L1243 HydrophobicContact CB-CD1 3.74Å; A1235-L1243 HydrophobicContact CB-CB 4.18Å; A1235-L1243 HydrophobicContact CB-CD2 4.2Å; A1235-L1243 HydrophobicContact CB-CG 3.91Å; D1240-L1243 HydrophobicContact CB-CB 3.95Å; D1240-L1243 PolarHBondContact O-N 3.32Å; D1240-L1243 WeakPolarHBondContact OD1-CB 3.49Å; D1240-L1243 PolarHBondContact OD1-N 3.46Å; D1240-L1243 WeakPolarHBondContact OD2-CB 3.37Å; L1243-T1245 PolarHBondContact O-N 2.97Å; L1243-Y1246 HydrophobicContact CD1-CD1 4.26Å; L1243-Y1246 WeakPolarHBondContact O-CB 3.34Å; L1243-Y1246 PolarHBondContact O-N 3.32Å; L1243-L1247 HydrophobicContact CD1-CD1 3.92Å; L1243-L1247 HydrophobicContact CD1-CG 4.04Å; L1243-L1247 HydrophobicContact CG-CD1 3.87Å; L1243-L1247 HydrophobicContact CG-CG 4.44Å; L1243-L1247 WeakPolarHBondContact O-CG 3.35Å; L1243-L1247 PolarHBondContact O-N 3.4Å
1244	A	90.4	Very high	88.1	Confident	2 Å²	2	53.9 Å²	53.9	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-45.5	173.8	0	0	0	0	0	112.2	S1232 A1235 L1236 D1240 Y1246 L1247 K1248	S1232-A1244 WeakPolarHBondContact O-CB 3.43Å; A1235-A1244 HydrophobicContact CB-CB 4.01Å; L1236-A1244 HydrophobicContact CD2-CB 3.43Å; L1236-A1244 VanDerWaalsContact CD2-CB 3.43Å; L1236-A1244 HydrophobicContact CG-CB 3.52Å; D1240-A1244 WeakPolarHBondContact O-CB 3.33Å; D1240-A1244 PolarHBondContact O-N 2.88Å; A1244-Y1246 VanDerWaalsContact C-N 3.31Å; A1244-Y1246 PolarHBondContact O-N 3.1Å; A1244-L1247 PolarHBondContact O-N 2.78Å; A1244-K1248 WeakPolarHBondContact O-CG 3.27Å; A1244-K1248 PolarHBondContact O-N 3.47Å
1245	T	87.9	Confident	86.9	Confident	102 Å²	102	55.1 Å²	55.1	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-63.8	-36.3	177.7	-56.4	0	0	0	0	111.9	P1241 Q1242 L1243 R1249	P1241-T1245 WeakPolarHBondContact O-CB 3.33Å; P1241-T1245 PolarHBondContact O-N 3.41Å; P1241-T1245 PolarHBondContact O-OG1 3.2Å; Q1242-T1245 PolarHBondContact O-N 3.33Å; L1243-T1245 PolarHBondContact O-N 2.97Å; T1245-R1249 PolarHBondContact O-N 2.75Å
1246	Y	90.2	Very high	85.3	Confident	54 Å²	54	55.7 Å²	55.7	21%	0.212	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-55.2	170.2	172.9	-98	0	0	0	110.8	K1212 I1215 Q1242 L1243 A1244 K1248 R1249 E1250	K1212-Y1246 HydrophobicContact CG-CE1 3.89Å; K1212-Y1246 HydrophobicContact CG-CE2 4.22Å; I1215-Y1246 HydrophobicContact CG1-CE1 4.33Å; Q1242-Y1246 PolarHBondContact O-N 3.27Å; L1243-Y1246 HydrophobicContact CD1-CD1 4.26Å; L1243-Y1246 WeakPolarHBondContact O-CB 3.34Å; L1243-Y1246 PolarHBondContact O-N 3.32Å; A1244-Y1246 VanDerWaalsContact C-N 3.31Å; A1244-Y1246 PolarHBondContact O-N 3.1Å; Y1246-K1248 VanDerWaalsContact C-N 3.33Å; Y1246-K1248 PolarHBondContact O-N 2.96Å; Y1246-R1249 WeakPolarHBondContact O-CA 3.28Å; Y1246-R1249 VanDerWaalsContact O-CB 3.32Å; Y1246-R1249 WeakPolarHBondContact O-CB 3.46Å; Y1246-R1249 PolarHBondContact O-N 2.95Å; Y1246-E1250 HydrophobicContact CD1-CG 4.23Å; Y1246-E1250 HydrophobicContact CD2-CG 4.34Å; Y1246-E1250 HydrophobicContact CE1-CG 3.76Å; Y1246-E1250 HydrophobicContact CE2-CG 3.89Å; Y1246-E1250 HydrophobicContact CG-CG 4.49Å; Y1246-E1250 WeakPolarHBondContact O-CG 3.47Å; Y1246-E1250 PolarHBondContact O-N 3.18Å
1247	L	91.6	Very high	83.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-39.8	-177.9	-69.4	167.8	0	0	0	112.1	L1199 A1203 C1211 I1215 P1231 A1235 L1243 A1244 R1249 E1250 E1251	L1199-L1247 HydrophobicContact CD1-CD2 4.08Å; A1203-L1247 HydrophobicContact CB-CD1 3.79Å; C1211-L1247 HydrophobicContact CB-CD2 4.48Å; I1215-L1247 HydrophobicContact CD1-CD2 4.43Å; I1215-L1247 HydrophobicContact CG1-CD2 4.48Å; P1231-L1247 HydrophobicContact CB-CD1 3.98Å; P1231-L1247 HydrophobicContact CB-CD2 4.45Å; A1235-L1247 HydrophobicContact CB-CD1 4.06Å; L1243-L1247 HydrophobicContact CD1-CD1 3.92Å; L1243-L1247 HydrophobicContact CD1-CG 4.04Å; L1243-L1247 HydrophobicContact CG-CD1 3.87Å; L1243-L1247 HydrophobicContact CG-CG 4.44Å; L1243-L1247 WeakPolarHBondContact O-CG 3.35Å; L1243-L1247 PolarHBondContact O-N 3.4Å; A1244-L1247 PolarHBondContact O-N 2.78Å; L1247-R1249 VanDerWaalsContact C-N 3.3Å; L1247-R1249 PolarHBondContact O-N 2.87Å; L1247-E1250 CarbonylContact O-C 3.56Å; L1247-E1250 PolarHBondContact O-N 3.06Å; L1247-E1251 VanDerWaalsContact O-CG 3.31Å; L1247-E1251 WeakPolarHBondContact O-CG 3.43Å; L1247-E1251 PolarHBondContact O-N 3.38Å
1248	K	87.9	Confident	82.3	Confident	82 Å²	82	48.3 Å²	48.3	36%	0.357	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-32.3	173.5	-64.8	-152.7	170.7	-166.2	0	113.8	S1232 N1233 A1244 Y1246 E1251 I1252	S1232-K1248 VanDerWaalsContact CB-CG 3.43Å; S1232-K1248 WeakPolarHBondContact OG-CE 3.47Å; S1232-K1248 WeakPolarHBondContact OG-CG 3.44Å; N1233-K1248 PolarHBondContact OD1-NZ 3.4Å; N1233-K1248 VanDerWaalsContact OD1-NZ 3.15Å; A1244-K1248 WeakPolarHBondContact O-CG 3.27Å; A1244-K1248 PolarHBondContact O-N 3.47Å; Y1246-K1248 VanDerWaalsContact C-N 3.33Å; Y1246-K1248 PolarHBondContact O-N 2.96Å; K1248-E1251 WeakPolarHBondContact CA-OE2 3.44Å; K1248-E1251 WeakPolarHBondContact CG-OE2 3.21Å; K1248-I1252 WeakPolarHBondContact O-CD1 3.3Å; K1248-I1252 VanDerWaalsContact O-CG1 3.23Å; K1248-I1252 WeakPolarHBondContact O-CG1 3.29Å; K1248-I1252 PolarHBondContact O-N 3.28Å; K1248-I1252 VanDerWaalsContact O-N 3.14Å
1249	R	82.8	Confident	80.3	Confident	94 Å²	94	49.3 Å²	49.3	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-68.4	-39.1	171.8	173.1	-176.7	168.9	149.8	2.2	111.2	E194 T1245 Y1246 L1247 F1253	E194-R1249 VanDerWaalsContact CD-NH1 3.29Å; E194-R1249 IonicContact OE1-CZ 3.48Å; E194-R1249 IonicContact OE1-NH1 2.71Å; E194-R1249 PolarHBondContact OE1-NH1 3.5Å; E194-R1249 IonicContact OE1-NH2 3.45Å; E194-R1249 PolarHBondContact OE1-NH2 3.45Å; E194-R1249 IonicContact OE2-CZ 3.45Å; E194-R1249 IonicContact OE2-NH1 3.41Å; E194-R1249 PolarHBondContact OE2-NH1 3.43Å; E194-R1249 IonicContact OE2-NH2 2.72Å; E194-R1249 PolarHBondContact OE2-NH2 3.44Å; T1245-R1249 PolarHBondContact O-N 2.75Å; Y1246-R1249 WeakPolarHBondContact O-CA 3.28Å; Y1246-R1249 VanDerWaalsContact O-CB 3.32Å; Y1246-R1249 WeakPolarHBondContact O-CB 3.46Å; Y1246-R1249 PolarHBondContact O-N 2.95Å; L1247-R1249 VanDerWaalsContact C-N 3.3Å; L1247-R1249 PolarHBondContact O-N 2.87Å; R1249-F1253 WeakPolarHBondContact O-CB 3.49Å; R1249-F1253 PolarHBondContact O-N 3.4Å
1250	E	85.1	Confident	77.9	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-74.3	-35.7	178.1	-54	-49.5	125.2	0	0	112.4	K293 I1215 P1221 Y1246 L1247 F1253 F1254	K293-E1250 IonicContact NZ-OE1 3.71Å; K293-E1250 PolarHBondContact NZ-OE1 3.2Å; K293-E1250 IonicContact NZ-OE2 2.74Å; K293-E1250 PolarHBondContact NZ-OE2 3.45Å; I1215-E1250 HydrophobicContact CD1-CB 4.06Å; I1215-E1250 HydrophobicContact CG2-CB 4.36Å; I1215-E1250 HydrophobicContact CG2-CG 4.15Å; P1221-E1250 HydrophobicContact CB-CB 4.41Å; P1221-E1250 HydrophobicContact CG-CB 4.31Å; P1221-E1250 WeakPolarHBondContact CG-O 3.19Å; Y1246-E1250 HydrophobicContact CD1-CG 4.23Å; Y1246-E1250 HydrophobicContact CD2-CG 4.34Å; Y1246-E1250 HydrophobicContact CE1-CG 3.76Å; Y1246-E1250 HydrophobicContact CE2-CG 3.89Å; Y1246-E1250 HydrophobicContact CG-CG 4.49Å; Y1246-E1250 WeakPolarHBondContact O-CG 3.47Å; Y1246-E1250 PolarHBondContact O-N 3.18Å; L1247-E1250 CarbonylContact O-C 3.56Å; L1247-E1250 PolarHBondContact O-N 3.06Å; E1250-F1253 PolarHBondContact O-N 2.75Å; E1250-F1254 WeakPolarHBondContact O-CB 3.41Å; E1250-F1254 PolarHBondContact O-N 3.31Å
1251	E	84.2	Confident	75.3	Confident	13 Å²	13	53.5 Å²	53.5	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-53.2	-53.8	167.3	-74.1	162.5	-166.6	0	0	110.5	P1221 T1222 S1232 L1247 K1248 F1253 F1254 I1255	P1221-E1251 HydrophobicContact CB-CG 3.89Å; P1221-E1251 WeakPolarHBondContact O-CG 3.4Å; T1222-E1251 HydrophobicContact CG2-CB 4.34Å; S1232-E1251 WeakPolarHBondContact CB-OE1 3.24Å; S1232-E1251 PolarHBondContact N-OE1 2.82Å; S1232-E1251 VanDerWaalsContact OG-CD 3.25Å; S1232-E1251 PolarHBondContact OG-OE1 3.27Å; S1232-E1251 PolarHBondContact OG-OE2 2.97Å; L1247-E1251 VanDerWaalsContact O-CG 3.31Å; L1247-E1251 WeakPolarHBondContact O-CG 3.43Å; L1247-E1251 PolarHBondContact O-N 3.38Å; K1248-E1251 WeakPolarHBondContact CA-OE2 3.44Å; K1248-E1251 WeakPolarHBondContact CG-OE2 3.21Å; E1251-F1253 PolarHBondContact O-N 3.4Å; E1251-F1254 PolarHBondContact O-N 3.32Å; E1251-I1255 VanDerWaalsContact O-CG1 3.27Å; E1251-I1255 WeakPolarHBondContact O-CG1 3.3Å; E1251-I1255 PolarHBondContact O-N 3.44Å
1252	I	74.8	Confident	72.5	Confident	52 Å²	52	58.3 Å²	58.3	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-44.9	177.7	-67.3	164.9	0	0	0	110.6	I104 K1248 F1254 I1255 I1256	I104-I1252 HydrophobicContact CD1-CG2 3.96Å; I104-I1252 HydrophobicContact CG1-CG2 3.84Å; K1248-I1252 WeakPolarHBondContact O-CD1 3.3Å; K1248-I1252 VanDerWaalsContact O-CG1 3.23Å; K1248-I1252 WeakPolarHBondContact O-CG1 3.29Å; K1248-I1252 PolarHBondContact O-N 3.28Å; K1248-I1252 VanDerWaalsContact O-N 3.14Å; I1252-F1254 PolarHBondContact O-N 3.5Å; I1252-I1255 PolarHBondContact O-N 3.32Å; I1252-I1256 HydrophobicContact CG2-CD1 3.68Å; I1252-I1256 HydrophobicContact CG2-CG1 4.45Å; I1252-I1256 WeakPolarHBondContact O-CD1 3.32Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.49Å; I1252-I1256 PolarHBondContact O-N 3.15Å; I1252-I1256 VanDerWaalsContact O-N 3.11Å
1253	F	72	Confident	69.7	Low	36 Å²	36	55.7 Å²	55.7	16%	0.158	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-44.9	178.9	-174.4	-103.8	0	0	0	111.9	K293 I294 R1249 E1250 E1251 I1256 T1257	K293-F1253 HydrophobicContact CG-CE1 4.17Å; K293-F1253 HydrophobicContact CG-CE2 3.89Å; K293-F1253 HydrophobicContact CG-CZ 3.65Å; I294-F1253 HydrophobicContact CB-CZ 4.31Å; R1249-F1253 WeakPolarHBondContact O-CB 3.49Å; R1249-F1253 PolarHBondContact O-N 3.4Å; E1250-F1253 PolarHBondContact O-N 2.75Å; E1251-F1253 PolarHBondContact O-N 3.4Å; F1253-I1256 WeakPolarHBondContact O-CB 3.38Å; F1253-I1256 PolarHBondContact O-N 3.4Å; F1253-I1256 VanDerWaalsContact O-N 3.1Å; F1253-T1257 HydrophobicContact CD1-CG2 4.15Å; F1253-T1257 HydrophobicContact CD2-CG2 4.45Å; F1253-T1257 HydrophobicContact CE1-CG2 3.7Å; F1253-T1257 HydrophobicContact CE2-CG2 4.04Å; F1253-T1257 HydrophobicContact CZ-CG2 3.63Å; F1253-T1257 PolarHBondContact O-N 3.27Å; F1253-T1257 PolarHBondContact O-OG1 3.38Å
1254	F	75.8	Confident	66.6	Low	47 Å²	47	62.7 Å²	62.7	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-43.8	176	-173.3	-80.3	0	0	0	112.1	C1220 P1221 T1222 E1250 E1251 I1252 I1256 T1257 N1258	C1220-F1254 HydrophobicContact CB-CE2 3.86Å; C1220-F1254 HydrophobicContact CB-CZ 3.86Å; C1220-F1254 VanDerWaalsContact SG-CE1 3.51Å; C1220-F1254 WeakPolarHBondContact SG-CZ 3.17Å; P1221-F1254 VanDerWaalsContact CD-CD2 3.49Å; P1221-F1254 HydrophobicContact CG-CB 3.7Å; P1221-F1254 HydrophobicContact CG-CD2 4.24Å; P1221-F1254 HydrophobicContact CG-CG 4.1Å; T1222-F1254 HydrophobicContact CG2-CB 4.28Å; T1222-F1254 HydrophobicContact CG2-CD1 3.78Å; T1222-F1254 HydrophobicContact CG2-CG 4.31Å; E1250-F1254 WeakPolarHBondContact O-CB 3.41Å; E1250-F1254 PolarHBondContact O-N 3.31Å; E1251-F1254 PolarHBondContact O-N 3.32Å; I1252-F1254 PolarHBondContact O-N 3.5Å; F1254-I1256 PolarHBondContact O-N 3.13Å; F1254-T1257 PolarHBondContact O-N 3.41Å; F1254-T1257 PolarHBondContact O-OG1 3.29Å; F1254-N1258 HydrophobicContact CD1-CB 4.24Å; F1254-N1258 VanDerWaalsContact CD2-ND2 3.25Å; F1254-N1258 WeakPolarHBondContact CD2-ND2 3.22Å; F1254-N1258 HydrophobicContact CE1-CB 4.08Å; F1254-N1258 WeakPolarHBondContact CE2-ND2 3.32Å; F1254-N1258 HydrophobicContact CZ-CB 4.42Å; F1254-N1258 WeakPolarHBondContact CZ-ND2 3.44Å; F1254-N1258 VanDerWaalsContact O-CB 3.27Å; F1254-N1258 WeakPolarHBondContact O-CB 3.32Å; F1254-N1258 PolarHBondContact O-N 3.48Å
1255	I	69.4	Low	63.8	Low	36 Å²	36	72.3 Å²	72.3	19%	0.185	38%	0.376	C	S	.	.	I	π-helix	trans	-60.6	-27.4	175.4	-68.2	165.5	0	0	0	111.7	R108 T1222 E1251 I1252 G1259 V1260	R108-I1255 PolarHBondContact NH2-O 2.91Å; T1222-I1255 HydrophobicContact CG2-CD1 4.11Å; T1222-I1255 HydrophobicContact CG2-CG1 3.79Å; E1251-I1255 VanDerWaalsContact O-CG1 3.27Å; E1251-I1255 WeakPolarHBondContact O-CG1 3.3Å; E1251-I1255 PolarHBondContact O-N 3.44Å; I1252-I1255 PolarHBondContact O-N 3.32Å; I1255-G1259 WeakPolarHBondContact O-CA 3.45Å; I1255-G1259 PolarHBondContact O-N 3.4Å; I1255-G1259 VanDerWaalsContact O-N 3.15Å; I1255-V1260 HydrophobicContact CG1-CG2 4.42Å
1256	I	62.1	Low	62.6	Low	13 Å²	13	70.8 Å²	70.8	7%	0.067	36%	0.364	C	S	.	.	I	π-helix	trans	-85	-44.8	179.4	-64.5	171.5	0	0	0	111.9	I104 Y107 L192 V297 I1252 F1253 F1254	I104-I1256 HydrophobicContact CD1-CD1 4.08Å; I104-I1256 HydrophobicContact CG1-CD1 3.31Å; I104-I1256 WeakPolarHBondContact O-CD1 3.44Å; Y107-I1256 HydrophobicContact CD1-CD1 4.32Å; Y107-I1256 HydrophobicContact CE1-CD1 3.63Å; Y107-I1256 HydrophobicContact CE1-CG1 3.6Å; Y107-I1256 HydrophobicContact CE1-CG2 4.24Å; Y107-I1256 WeakPolarHBondContact OH-CG1 3.3Å; L192-I1256 HydrophobicContact CD1-CG2 4.17Å; V297-I1256 HydrophobicContact CB-CG2 4.43Å; V297-I1256 HydrophobicContact CG1-CG2 4.11Å; V297-I1256 HydrophobicContact CG2-CG2 3.7Å; I1252-I1256 HydrophobicContact CG2-CD1 3.68Å; I1252-I1256 HydrophobicContact CG2-CG1 4.45Å; I1252-I1256 WeakPolarHBondContact O-CD1 3.32Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.49Å; I1252-I1256 PolarHBondContact O-N 3.15Å; I1252-I1256 VanDerWaalsContact O-N 3.11Å; F1253-I1256 WeakPolarHBondContact O-CB 3.38Å; F1253-I1256 PolarHBondContact O-N 3.4Å; F1253-I1256 VanDerWaalsContact O-N 3.1Å; F1254-I1256 PolarHBondContact O-N 3.13Å
1257	T	60.6	Low	61.2	Low	29 Å²	29	71.7 Å²	71.7	18%	0.178	37%	0.372	C	S	.	.	I	π-helix	trans	-74.8	-32.6	179.3	57.4	0	0	0	0	112.8	R357 F1253 F1254	R357-T1257 VanDerWaalsContact CZ-O 3.26Å; R357-T1257 PolarHBondContact NH1-O 3.34Å; R357-T1257 PolarHBondContact NH2-O 2.7Å; F1253-T1257 HydrophobicContact CD1-CG2 4.15Å; F1253-T1257 HydrophobicContact CD2-CG2 4.45Å; F1253-T1257 HydrophobicContact CE1-CG2 3.7Å; F1253-T1257 HydrophobicContact CE2-CG2 4.04Å; F1253-T1257 HydrophobicContact CZ-CG2 3.63Å; F1253-T1257 PolarHBondContact O-N 3.27Å; F1253-T1257 PolarHBondContact O-OG1 3.38Å; F1254-T1257 PolarHBondContact O-N 3.41Å; F1254-T1257 PolarHBondContact O-OG1 3.29Å
1258	N	62.5	Low	59.5	Low	72 Å²	72	75.7 Å²	75.7	39%	0.385	39%	0.393	S	S	.	.	I	π-helix	trans	-103.5	-22	-173.4	-61.8	-12.2	0	0	0	113.1	R357 F1254	R357-N1258 VanDerWaalsContact NH2-C 3.34Å; R357-N1258 VanDerWaalsContact NH2-CA 3.33Å; R357-N1258 PolarHBondContact NH2-O 3.41Å; F1254-N1258 HydrophobicContact CD1-CB 4.24Å; F1254-N1258 VanDerWaalsContact CD2-ND2 3.25Å; F1254-N1258 WeakPolarHBondContact CD2-ND2 3.22Å; F1254-N1258 HydrophobicContact CE1-CB 4.08Å; F1254-N1258 WeakPolarHBondContact CE2-ND2 3.32Å; F1254-N1258 HydrophobicContact CZ-CB 4.42Å; F1254-N1258 WeakPolarHBondContact CZ-ND2 3.44Å; F1254-N1258 VanDerWaalsContact O-CB 3.27Å; F1254-N1258 WeakPolarHBondContact O-CB 3.32Å; F1254-N1258 PolarHBondContact O-N 3.48Å
1259	G	52.6	Low	57.8	Low	35 Å²	35	75.3 Å²	75.3	36%	0.361	40%	0.395	S	S	.	.	I	π-helix	trans	75.9	63.7	164.8	0	0	0	0	0	114.5	I1255 E1261	I1255-G1259 WeakPolarHBondContact O-CA 3.45Å; I1255-G1259 PolarHBondContact O-N 3.4Å; I1255-G1259 VanDerWaalsContact O-N 3.15Å; G1259-E1261 PolarHBondContact O-N 3.48Å; G1259-E1261 VanDerWaalsContact O-N 3.14Å
1260	V	42.9	Very low	56.2	Low	55 Å²	55	74.1 Å²	74.1	33%	0.333	40%	0.397	S	S	.	.			trans	-67.1	111.8	167.1	-175	0	0	0	0	108.9	I1255 V1263	I1255-V1260 HydrophobicContact CG1-CG2 4.42Å; V1260-V1263 HydrophobicContact CB-CG2 4.11Å; V1260-V1263 HydrophobicContact CG1-CG2 3.65Å
1261	E	39.6	Very low	54.3	Low	178 Å²	178	78.5 Å²	78.5	83%	0.832	42%	0.421	S	S	*	.	S	Bend	trans	-69.7	134.5	161.7	-62.4	-146.1	143.5	0	0	109.1	G1259	G1259-E1261 PolarHBondContact O-N 3.48Å; G1259-E1261 VanDerWaalsContact O-N 3.14Å
1262	K	29.2	Very low	52.2	Low	183 Å²	183	83.2 Å²	83.2	80%	0.796	45%	0.447	S	S	*	.			trans	46.6	73.4	-179.3	-58.5	177.3	-173.5	167.9	0	114.6	D1264	K1262-D1264 PolarHBondContact O-N 2.78Å
1263	V	29.8	Very low	50.4	Low	75 Å²	75	85.6 Å²	85.6	46%	0.455	46%	0.461	S	S	.	.			trans	-75	106	138.2	-178.2	0	0	0	0	105.7	V1260 V1265	V1260-V1263 HydrophobicContact CB-CG2 4.11Å; V1260-V1263 HydrophobicContact CG1-CG2 3.65Å; V1263-V1265 HydrophobicContact CG1-CG2 4.25Å
1264	D	28.4	Very low	48.6	Very low	151 Å²	151	89.8 Å²	89.8	81%	0.807	49%	0.486	S	S	*	.			trans	-66.9	134	159.1	-76.3	-32.7	0	0	0	107.9	K1262	K1262-D1264 PolarHBondContact O-N 2.78Å
1265	V	30.7	Very low	46.2	Very low	203 Å²	203	93.6 Å²	93.6	100%	1.23	51%	0.512	S	S	*	.			trans	-112.9	0	-166.2	-177.8	0	0	0	0	111.7	V1263	V1263-V1265 HydrophobicContact CG1-CG2 4.25Å

Retrieved 1,265 of 1,265 residues in 349.1 ms (Link to these results)

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