A0A3Q0KS81_SCHMA Loading...

Mername-AA213 putative peptidase (M14 family)

AlphaFold DB , UniProt , Accession A0A3Q0KS81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,130 aa.

						>A0A3Q0KS81_SCHMA|A0A3Q0KS81
MIAETLQKDDGFSVKTSDFSEKFNPIREEWIGRILKEKSKDVLKTRQIYYSLLNNGNLAAKLSKPKSLDNNHLTNWKPNSIKLPLNFELIPDRILHINKPPLERERLYKPTGKEIQPTVSGEHNENNNNNTVVFQYEPMIGKFFTASKSNGTIEQSTNLLNDSKFLKFESRFESGNLSKAICTGPYEYELYLRPDLYTKKYTQWFYFRVQNTENNNSYRFTIVNFYKSTSLFSQGMRPLMYSEKMAKLTGIGWRRVGSDINYYQTKYMESADNKLQFKNKPQKDDTSKLHHTYSLTWKFKFPYPNDTVYFAACYPYTYTQLQEYLNKLTLNSSIKRICHQTTLCYTLASNSVPLLTITEPDDYDECNGNDNNSNDNNNVDQLTNKSQSGFQTQPTDDNNNYNKPTEKKRCVVITARVHPGETQGSWMMKGLMDFLISTDPDAKVLRSNFVFKLVPMLNPDGVIVGNYRCSLSGCDLNRKYTSSLKRFFPTIWHTKQMIINVMKQYEVVVYCDLHGHSRKQQMFIYGCKSQTPEKQYYSRIFPAMLSKNIPELFNYDKCKFAVQKEKEGTGRIVMWREGIVNSYTLEATFCGTAGNDLEEGYHFNSLDFEKMGSHFCDTLLDYIDPDHKKMEHIMQYLKNRFVSMKISKSNEFEDDKLSSDDSMSDSSDVGSDSSNCDELPAYYAYVLQKSKKKGKRKRKITQKRETKSGNKKETQPKKDVPTNHCIPFVHRFTTLLREKVCPVCGTYACCRDLNLTEDSSKSGKQTQNNSESRKSFQKENNYYRMFSRNQQNGYFSDGVISFKKSYKNSSSTFANQEEPDMVCLKPFNKQRSNQTSTLSQETLQGDGAGGRNKNFTTKENFKPLNQDYNLPKINIGSNYIMNPFIHIRRTQSAPSNKYNLLLKNNKKISFFNLDMKQKKFFYNFDLNNCSPLENNNHHVLNPLVHNYPNIYGDYLNKTVIKDDNDDDQTFMSLDNHINSNQNEELTKIPSVKQCNNQMLLKNGQLRKVSRSSSIYSFPNSNYNNFSNVTRHYPLKQSTIYQTINKTTLSHHSQKQLNELNTINKRGDSLDASVSLKSNDVLPQYFNNKLKMHSIRKFNYEPKIQDENILDTIMLDGKPIHIFNKKSTIST
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	34.7	Very low	171 Å²	171	121 Å²	121	84%	0.842	66%	0.66	S	S	*	*				0	-67.1	0	-69.5	-168	75.7	0	0	112.3	E4 T5	M1-E4 WeakPolarHBondContact CA-OE2 3.14Å; M1-E4 PolarHBondContact N-OE2 3.2Å; M1-E4 CarbonylContact O-C 3.4Å; M1-E4 PolarHBondContact O-N 2.86Å; M1-T5 PolarHBondContact O-N 3.48Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.86Å
2	I	31.2	Very low	34.5	Very low	89 Å²	89	127 Å²	127	46%	0.456	68%	0.675	S	S	.	*			trans	-62.2	-48.2	178.8	-63.8	177.9	0	0	0	111.1	E4 T5 L6	I2-E4 VanDerWaalsContact C-N 3.33Å; I2-E4 PolarHBondContact O-N 3Å; I2-T5 WeakPolarHBondContact O-CB 3.38Å; I2-T5 PolarHBondContact O-N 3.5Å; I2-L6 HydrophobicContact CG2-CD1 4.42Å; I2-L6 PolarHBondContact O-N 2.85Å
3	A	35.7	Very low	34	Very low	64 Å²	64	126.9 Å²	126.9	53%	0.529	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-57.7	-41.7	172.7	0	0	0	0	0	113.1	T5 L6 Q7	A3-T5 PolarHBondContact O-N 2.85Å; A3-T5 VanDerWaalsContact O-N 3.08Å; A3-L6 PolarHBondContact O-N 3.4Å; A3-Q7 PolarHBondContact O-N 3.27Å
4	E	36.5	Very low	33.8	Very low	93 Å²	93	126 Å²	126	44%	0.435	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-66.2	-7.5	175.6	-59.7	167.3	134.3	0	0	113.8	M1 I2	M1-E4 WeakPolarHBondContact CA-OE2 3.14Å; M1-E4 PolarHBondContact N-OE2 3.2Å; M1-E4 CarbonylContact O-C 3.4Å; M1-E4 PolarHBondContact O-N 2.86Å; I2-E4 VanDerWaalsContact C-N 3.33Å; I2-E4 PolarHBondContact O-N 3Å
5	T	39.1	Very low	33.8	Very low	99 Å²	99	130.6 Å²	130.6	61%	0.607	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-101.5	-7.9	174.4	-42.5	0	0	0	0	111.9	M1 I2 A3	M1-T5 PolarHBondContact O-N 3.48Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.86Å; I2-T5 WeakPolarHBondContact O-CB 3.38Å; I2-T5 PolarHBondContact O-N 3.5Å; A3-T5 PolarHBondContact O-N 2.85Å; A3-T5 VanDerWaalsContact O-N 3.08Å
6	L	38.4	Very low	33.5	Very low	131 Å²	131	131.8 Å²	131.8	69%	0.686	72%	0.715	S	S	*	*	S	Bend	trans	-110.8	3.9	-179.5	-66.6	171.2	0	0	0	113	I2 A3	I2-L6 HydrophobicContact CG2-CD1 4.42Å; I2-L6 PolarHBondContact O-N 2.85Å; A3-L6 PolarHBondContact O-N 3.4Å
7	Q	38.3	Very low	33.2	Very low	151 Å²	151	129.1 Å²	129.1	71%	0.706	71%	0.709	S	S	*	*	S	Bend	trans	-124.1	37.5	179.4	-63.3	-176	-58.5	0	0	111.1	A3	A3-Q7 PolarHBondContact O-N 3.27Å
8	K	35.5	Very low	33	Very low	160 Å²	160	129.9 Å²	129.9	70%	0.696	71%	0.712	S	S	*	*	S	Bend	trans	-140.2	1	-176.9	-73.5	-152.7	170.1	-148.2	0	116.1
9	D	34	Very low	33	Very low	145 Å²	145	132.8 Å²	132.8	78%	0.775	72%	0.717	S	S	*	*			trans	-109.3	30.3	179.8	-63.9	-31	0	0	0	112.1	G11	D9-G11 PolarHBondContact O-N 3.3Å
10	D	31.2	Very low	32.9	Very low	166 Å²	166	131.1 Å²	131.1	89%	0.888	72%	0.716	S	S	*	*			trans	-72.6	74.4	165	-70	-43.7	0	0	0	109.1
11	G	30.3	Very low	33.1	Very low	62 Å²	62	133.7 Å²	133.7	64%	0.639	72%	0.723	S	S	*	*			trans	-150	18.8	-167.4	0	0	0	0	0	115.3	D9	D9-G11 PolarHBondContact O-N 3.3Å
12	F	32.2	Very low	33.5	Very low	193 Å²	193	135.4 Å²	135.4	85%	0.846	73%	0.726	S	S	*	*			trans	-133.7	89.2	174.1	-99.1	-86.4	0	0	0	111.6	V14	F12-V14 HydrophobicContact CD1-CG2 4.15Å; F12-V14 PolarHBondContact O-N 3.31Å; F12-V14 VanDerWaalsContact O-N 3.14Å
13	S	28	Very low	33.8	Very low	126 Å²	126	141.4 Å²	141.4	88%	0.881	75%	0.749	S	S	*	*			trans	-77.8	87.8	165.5	59.2	0	0	0	0	110
14	V	31.9	Very low	34.2	Very low	114 Å²	114	142.8 Å²	142.8	69%	0.691	75%	0.747	S	S	*	*			trans	-97.9	120.5	164.3	-176.1	0	0	0	0	107.3	F12 T16	F12-V14 HydrophobicContact CD1-CG2 4.15Å; F12-V14 PolarHBondContact O-N 3.31Å; F12-V14 VanDerWaalsContact O-N 3.14Å; V14-T16 PolarHBondContact O-N 3.35Å
15	K	32.9	Very low	34.6	Very low	195 Å²	195	143.2 Å²	143.2	85%	0.848	76%	0.758	S	S	*	*			trans	-64.7	134.8	178.4	-69.4	-177.9	176.7	-178.7	0	109.5	S17	K15-S17 PolarHBondContact O-N 3.13Å
16	T	29.4	Very low	35	Very low	149 Å²	149	143.9 Å²	143.9	91%	0.914	76%	0.757	S	S	*	*			trans	-79.7	97.3	175.8	48.8	0	0	0	0	110.4	V14	V14-T16 PolarHBondContact O-N 3.35Å
17	S	28.9	Very low	35.5	Very low	87 Å²	87	146.8 Å²	146.8	61%	0.608	76%	0.759	S	S	*	*			trans	-144.8	115.7	163.4	53.6	0	0	0	0	109.6	K15	K15-S17 PolarHBondContact O-N 3.13Å
18	D	29.7	Very low	36	Very low	143 Å²	143	147.3 Å²	147.3	77%	0.765	76%	0.761	S	S	*	*			trans	77.6	153.5	157.2	-44.3	-40.3	0	0	0	121.3
19	F	32.6	Very low	36.7	Very low	186 Å²	186	144.6 Å²	144.6	82%	0.816	75%	0.751	S	S	*	*			trans	69.4	85.2	169	-65	-74.2	0	0	0	121.3
20	S	31.9	Very low	37.6	Very low	98 Å²	98	145.9 Å²	145.9	69%	0.685	75%	0.745	S	S	*	*				48.9	124.9	115.9	67.1	0	0	0	0	121.6
21	E	36.5	Very low	38.6	Very low	185 Å²	185	141.8 Å²	141.8	86%	0.864	72%	0.722	S	S	*	*			trans	16.3	110.7	143.2	-58.2	-169.4	137.1	0	0	120
22	K	38.2	Very low	40	Very low	208 Å²	208	140.5 Å²	140.5	90%	0.904	71%	0.709	S	S	*	*			trans	-158.5	128.5	132.9	-109.9	150.4	-171.8	169.1	0	111.2	N24	K22-N24 PolarHBondContact O-N 3.1Å
23	F	38.8	Very low	41.1	Very low	214 Å²	214	138.1 Å²	138.1	94%	0.939	69%	0.694	S	S	*	*			trans	-61.7	132.7	171.1	-89.1	-108.3	0	0	0	109.7
24	N	44.5	Very low	42.3	Very low	94 Å²	94	134.4 Å²	134.4	50%	0.503	66%	0.664	S	S	.	*			trans	-119	104.2	-179.7	-170.6	-19.6	0	0	0	111	K22 I26 R27	K22-N24 PolarHBondContact O-N 3.1Å; N24-I26 PolarHBondContact O-N 3.07Å; N24-I26 VanDerWaalsContact O-N 3.1Å; N24-I26 VanDerWaalsContact OD1-CB 3.25Å; N24-I26 WeakPolarHBondContact OD1-CB 3.44Å; N24-I26 VanDerWaalsContact OD1-CG1 3.26Å; N24-I26 WeakPolarHBondContact OD1-CG1 3.26Å; N24-I26 PolarHBondContact OD1-N 2.73Å; N24-I26 VanDerWaalsContact OD1-N 3.13Å; N24-R27 PolarHBondContact O-N 2.87Å
25	P	44.9	Very low	43.2	Very low	102 Å²	102	134.6 Å²	134.6	66%	0.662	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-25.5	-178.6	-27.2	35.7	0	0	0	114.7	R27 E28 E29	P25-R27 PolarHBondContact O-N 3.13Å; P25-R27 VanDerWaalsContact O-N 3.13Å; P25-E28 PolarHBondContact O-N 3.14Å; P25-E28 VanDerWaalsContact O-N 3.14Å; P25-E29 PolarHBondContact O-N 3.13Å; P25-E29 VanDerWaalsContact O-N 3.13Å
26	I	46.5	Very low	44.2	Very low	113 Å²	113	133.4 Å²	133.4	58%	0.579	66%	0.655	S	S	*	*	H	α-helix	trans	-57.5	-30.2	178	-57.9	171	0	0	0	110.8	N24 E29 W30	N24-I26 PolarHBondContact O-N 3.07Å; N24-I26 VanDerWaalsContact O-N 3.1Å; N24-I26 VanDerWaalsContact OD1-CB 3.25Å; N24-I26 WeakPolarHBondContact OD1-CB 3.44Å; N24-I26 VanDerWaalsContact OD1-CG1 3.26Å; N24-I26 WeakPolarHBondContact OD1-CG1 3.26Å; N24-I26 PolarHBondContact OD1-N 2.73Å; N24-I26 VanDerWaalsContact OD1-N 3.13Å; I26-E29 PolarHBondContact O-N 3.34Å; I26-W30 WeakPolarHBondContact O-CB 3.47Å; I26-W30 PolarHBondContact O-N 3.38Å
27	R	48.6	Very low	45.3	Very low	192 Å²	192	133.4 Å²	133.4	73%	0.725	65%	0.645	S	S	*	*	H	α-helix	trans	-68.8	-39.7	-179.6	-152.5	178.9	-166	-162	4	112.3	N24 P25 I31	N24-R27 PolarHBondContact O-N 2.87Å; P25-R27 PolarHBondContact O-N 3.13Å; P25-R27 VanDerWaalsContact O-N 3.13Å; R27-I31 WeakPolarHBondContact O-CD1 3.4Å; R27-I31 VanDerWaalsContact O-CG1 3.24Å; R27-I31 WeakPolarHBondContact O-CG1 3.29Å; R27-I31 PolarHBondContact O-N 2.81Å; R27-I31 VanDerWaalsContact O-N 3.17Å
28	E	49.7	Very low	46	Very low	162 Å²	162	134.9 Å²	134.9	76%	0.757	64%	0.64	S	S	*	*	H	α-helix	trans	-70.6	-42.9	173.9	-70.2	-133.9	132.3	0	0	111.5	P25 W30 I31 G32	P25-E28 PolarHBondContact O-N 3.14Å; P25-E28 VanDerWaalsContact O-N 3.14Å; E28-W30 VanDerWaalsContact C-N 3.31Å; E28-W30 PolarHBondContact O-N 2.76Å; E28-I31 PolarHBondContact O-N 3.49Å; E28-G32 PolarHBondContact O-N 2.92Å
29	E	49.9	Very low	46.6	Very low	103 Å²	103	131.4 Å²	131.4	48%	0.481	63%	0.627	S	S	.	*	H	α-helix	trans	-62.8	-39.6	179.5	-149.8	-146.2	143.1	0	0	111.6	P25 I26 G32 R33	P25-E29 PolarHBondContact O-N 3.13Å; P25-E29 VanDerWaalsContact O-N 3.13Å; I26-E29 PolarHBondContact O-N 3.34Å; E29-G32 PolarHBondContact O-N 3.27Å; E29-R33 WeakPolarHBondContact O-CB 3.25Å; E29-R33 WeakPolarHBondContact O-CG 3.33Å; E29-R33 PolarHBondContact O-N 3.17Å; E29-R33 IonicContact OE1-CZ 2.78Å; E29-R33 IonicContact OE1-NE 3.55Å; E29-R33 PolarHBondContact OE1-NE 2.91Å; E29-R33 IonicContact OE1-NH2 3.83Å; E29-R33 PolarHBondContact OE1-NH2 2.8Å; E29-R33 IonicContact OE2-NH2 3.78Å
30	W	53.5	Low	46.9	Very low	172 Å²	172	132 Å²	132	65%	0.652	63%	0.629	S	S	*	*	H	α-helix	trans	-67.1	-40.7	177.2	-162.6	77.7	0	0	0	112.4	I26 E28 R33 I34	I26-W30 WeakPolarHBondContact O-CB 3.47Å; I26-W30 PolarHBondContact O-N 3.38Å; E28-W30 VanDerWaalsContact C-N 3.31Å; E28-W30 PolarHBondContact O-N 2.76Å; W30-R33 PolarHBondContact O-N 2.67Å; W30-I34 HydrophobicContact CD2-CD1 3.74Å; W30-I34 HydrophobicContact CE3-CD1 3.55Å; W30-I34 HydrophobicContact CH2-CD1 3.69Å; W30-I34 HydrophobicContact CZ2-CD1 3.86Å; W30-I34 HydrophobicContact CZ3-CD1 3.52Å; W30-I34 WeakPolarHBondContact O-CB 3.24Å; W30-I34 WeakPolarHBondContact O-CG1 3.4Å; W30-I34 PolarHBondContact O-N 2.74Å
31	I	52.5	Low	47.1	Very low	80 Å²	80	134.3 Å²	134.3	41%	0.41	63%	0.634	S	S	.	*	H	α-helix	trans	-63.5	-44.3	172.1	-70.6	167.3	0	0	0	110.5	R27 E28 I34 L35	R27-I31 WeakPolarHBondContact O-CD1 3.4Å; R27-I31 VanDerWaalsContact O-CG1 3.24Å; R27-I31 WeakPolarHBondContact O-CG1 3.29Å; R27-I31 PolarHBondContact O-N 2.81Å; R27-I31 VanDerWaalsContact O-N 3.17Å; E28-I31 PolarHBondContact O-N 3.49Å; I31-I34 PolarHBondContact O-N 3.47Å; I31-L35 HydrophobicContact CG2-CD1 3.9Å; I31-L35 HydrophobicContact CG2-CG 4.42Å; I31-L35 WeakPolarHBondContact O-CB 3.36Å; I31-L35 WeakPolarHBondContact O-CG 3.49Å; I31-L35 PolarHBondContact O-N 2.93Å
32	G	59	Low	47.2	Very low	34 Å²	34	129.1 Å²	129.1	35%	0.351	62%	0.615	S	S	.	*	H	α-helix	trans	-61.2	-42.7	177	0	0	0	0	0	113.3	E28 E29 L35 K36	E28-G32 PolarHBondContact O-N 2.92Å; E29-G32 PolarHBondContact O-N 3.27Å; G32-L35 PolarHBondContact O-N 3.33Å; G32-K36 WeakPolarHBondContact O-CB 3.34Å; G32-K36 PolarHBondContact O-N 3.01Å
33	R	55.3	Low	47.1	Very low	143 Å²	143	125.5 Å²	125.5	54%	0.54	61%	0.605	S	S	.	*	H	α-helix	trans	-62.9	-48.1	172.8	-73.8	-177.3	-173.6	-147.8	9.6	111.4	E29 W30 L35 K36 E37	E29-R33 WeakPolarHBondContact O-CB 3.25Å; E29-R33 WeakPolarHBondContact O-CG 3.33Å; E29-R33 PolarHBondContact O-N 3.17Å; E29-R33 IonicContact OE1-CZ 2.78Å; E29-R33 IonicContact OE1-NE 3.55Å; E29-R33 PolarHBondContact OE1-NE 2.91Å; E29-R33 IonicContact OE1-NH2 3.83Å; E29-R33 PolarHBondContact OE1-NH2 2.8Å; E29-R33 IonicContact OE2-NH2 3.78Å; W30-R33 PolarHBondContact O-N 2.67Å; R33-L35 VanDerWaalsContact C-N 3.32Å; R33-L35 PolarHBondContact O-N 3.14Å; R33-K36 PolarHBondContact O-N 2.82Å; R33-E37 WeakPolarHBondContact O-CB 3.38Å; R33-E37 WeakPolarHBondContact O-CG 3.14Å; R33-E37 PolarHBondContact O-N 3.3Å
34	I	52.5	Low	47	Very low	48 Å²	48	125.2 Å²	125.2	25%	0.246	60%	0.603	C	S	.	*	H	α-helix	trans	-59.9	-40.8	178	-74.9	174.8	0	0	0	111.8	W30 I31 K38	W30-I34 HydrophobicContact CD2-CD1 3.74Å; W30-I34 HydrophobicContact CE3-CD1 3.55Å; W30-I34 HydrophobicContact CH2-CD1 3.69Å; W30-I34 HydrophobicContact CZ2-CD1 3.86Å; W30-I34 HydrophobicContact CZ3-CD1 3.52Å; W30-I34 WeakPolarHBondContact O-CB 3.24Å; W30-I34 WeakPolarHBondContact O-CG1 3.4Å; W30-I34 PolarHBondContact O-N 2.74Å; I31-I34 PolarHBondContact O-N 3.47Å; I34-K38 HydrophobicContact CG2-CD 4.04Å; I34-K38 VanDerWaalsContact O-CB 3.32Å; I34-K38 WeakPolarHBondContact O-CB 3.37Å; I34-K38 PolarHBondContact O-N 2.99Å
35	L	52.3	Low	46.9	Very low	118 Å²	118	123.4 Å²	123.4	62%	0.618	60%	0.595	S	S	*	*	H	α-helix	trans	-66.7	-45.1	176.3	-72.4	171.9	0	0	0	111.7	I31 G32 R33 S39	I31-L35 HydrophobicContact CG2-CD1 3.9Å; I31-L35 HydrophobicContact CG2-CG 4.42Å; I31-L35 WeakPolarHBondContact O-CB 3.36Å; I31-L35 WeakPolarHBondContact O-CG 3.49Å; I31-L35 PolarHBondContact O-N 2.93Å; G32-L35 PolarHBondContact O-N 3.33Å; R33-L35 VanDerWaalsContact C-N 3.32Å; R33-L35 PolarHBondContact O-N 3.14Å; L35-S39 VanDerWaalsContact O-CB 3.27Å; L35-S39 WeakPolarHBondContact O-CB 3.41Å; L35-S39 PolarHBondContact O-N 3.12Å; L35-S39 VanDerWaalsContact O-N 3.09Å
36	K	53.7	Low	47.1	Very low	171 Å²	171	130.2 Å²	130.2	74%	0.743	61%	0.608	S	S	*	*	H	α-helix	trans	-60.1	-51.1	174.9	-87.7	-179.1	173.8	174	0	111.9	G32 R33 S39	G32-K36 WeakPolarHBondContact O-CB 3.34Å; G32-K36 PolarHBondContact O-N 3.01Å; R33-K36 PolarHBondContact O-N 2.82Å; K36-S39 WeakPolarHBondContact O-CB 3.22Å; K36-S39 PolarHBondContact O-OG 3.21Å
37	E	51.3	Low	47.4	Very low	149 Å²	149	131 Å²	131	70%	0.696	61%	0.609	S	S	*	*	H	α-helix	trans	-69.7	-43.2	-175	-70.2	-176.8	171.1	0	0	113.2	R33	R33-E37 WeakPolarHBondContact O-CB 3.38Å; R33-E37 WeakPolarHBondContact O-CG 3.14Å; R33-E37 PolarHBondContact O-N 3.3Å
38	K	44.5	Very low	47.5	Very low	118 Å²	118	125.5 Å²	125.5	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-83.2	-9.1	-178.3	-61.2	-176.3	-172.8	165.1	0	113.6	I34 K40 D41 V42	I34-K38 HydrophobicContact CG2-CD 4.04Å; I34-K38 VanDerWaalsContact O-CB 3.32Å; I34-K38 WeakPolarHBondContact O-CB 3.37Å; I34-K38 PolarHBondContact O-N 2.99Å; K38-K40 PolarHBondContact O-N 3.01Å; K38-D41 PolarHBondContact O-N 2.6Å; K38-V42 HydrophobicContact CB-CG2 4.13Å; K38-V42 WeakPolarHBondContact O-CG2 3.34Å; K38-V42 PolarHBondContact O-N 3.01Å
39	S	41.7	Very low	48.1	Very low	70 Å²	70	123.1 Å²	123.1	49%	0.49	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.7	-27.9	176.6	65.9	0	0	0	0	114.7	L35 K36	L35-S39 VanDerWaalsContact O-CB 3.27Å; L35-S39 WeakPolarHBondContact O-CB 3.41Å; L35-S39 PolarHBondContact O-N 3.12Å; L35-S39 VanDerWaalsContact O-N 3.09Å; K36-S39 WeakPolarHBondContact O-CB 3.22Å; K36-S39 PolarHBondContact O-OG 3.21Å
40	K	39	Very low	48.8	Very low	197 Å²	197	123.7 Å²	123.7	86%	0.857	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-18	-179.6	-66.1	-177.5	178.7	177.7	0	114.5	K38	K38-K40 PolarHBondContact O-N 3.01Å
41	D	37.2	Very low	49	Very low	148 Å²	148	116.5 Å²	116.5	79%	0.791	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	-9.8	-176.9	-110.7	-13.5	0	0	0	113.2	K38	K38-D41 PolarHBondContact O-N 2.6Å
42	V	37.8	Very low	49.4	Very low	75 Å²	75	118.3 Å²	118.3	46%	0.455	56%	0.563	S	S	.	*	S	Bend	trans	-80.5	120.9	174.1	173.2	0	0	0	0	110.8	K38 K44	K38-V42 HydrophobicContact CB-CG2 4.13Å; K38-V42 WeakPolarHBondContact O-CG2 3.34Å; K38-V42 PolarHBondContact O-N 3.01Å; V42-K44 PolarHBondContact O-N 3.38Å; V42-K44 VanDerWaalsContact O-N 3.14Å
43	L	35.7	Very low	49.7	Very low	133 Å²	133	120 Å²	120	70%	0.696	56%	0.564	S	S	*	*			trans	-57.3	113.7	174.3	-74.8	161.8	0	0	0	111.2	T45	L43-T45 PolarHBondContact O-N 2.84Å
44	K	37.1	Very low	50	Low	207 Å²	207	122 Å²	122	90%	0.9	59%	0.585	S	S	*	*			trans	-68.5	67.4	169	-71.7	-172.6	176.2	-178	0	111.7	V42 R46	V42-K44 PolarHBondContact O-N 3.38Å; V42-K44 VanDerWaalsContact O-N 3.14Å; K44-R46 PolarHBondContact O-N 3.42Å
45	T	43.3	Very low	51.1	Low	56 Å²	56	124.9 Å²	124.9	34%	0.344	60%	0.601	S	S	.	*			trans	-77.2	115	170.3	173.2	0	0	0	0	109.8	L43 Q47 I48	L43-T45 PolarHBondContact O-N 2.84Å; T45-Q47 PolarHBondContact O-N 3.3Å; T45-Q47 VanDerWaalsContact O-N 3.12Å; T45-Q47 PolarHBondContact OG1-N 3.29Å; T45-I48 HydrophobicContact CG2-CB 4.11Å; T45-I48 HydrophobicContact CG2-CG1 4.47Å; T45-I48 PolarHBondContact O-N 3.04Å
46	R	48.1	Very low	51.2	Low	245 Å²	245	121.4 Å²	121.4	93%	0.925	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-2.4	174.5	-67	-173.6	178.8	-172.8	-0.7	113.6	K44 S63	K44-R46 PolarHBondContact O-N 3.42Å; R46-S63 PolarHBondContact O-OG 3.31Å
47	Q	52.4	Low	51.4	Low	129 Å²	129	117.8 Å²	117.8	60%	0.603	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-15.7	-179.8	-71.1	-179	-46.2	0	0	114.3	T45 L62 S63	T45-Q47 PolarHBondContact O-N 3.3Å; T45-Q47 VanDerWaalsContact O-N 3.12Å; T45-Q47 PolarHBondContact OG1-N 3.29Å; Q47-L62 WeakPolarHBondContact O-CA 3.33Å; Q47-S63 WeakPolarHBondContact CA-OG 3.36Å; Q47-S63 PolarHBondContact O-N 3.04Å; Q47-S63 PolarHBondContact O-OG 2.79Å
48	I	51.8	Low	51.3	Low	77 Å²	77	115.8 Å²	115.8	40%	0.395	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.2	124	-178.1	-56.1	174.6	0	0	0	108.8	T45 A60 K61 L62	T45-I48 HydrophobicContact CG2-CB 4.11Å; T45-I48 HydrophobicContact CG2-CG1 4.47Å; T45-I48 PolarHBondContact O-N 3.04Å; I48-A60 HydrophobicContact CG2-CB 4.12Å; I48-K61 WeakPolarHBondContact CA-O 3.48Å; I48-L62 HydrophobicContact CG1-CD2 4.12Å
49	Y	62.6	Low	52.1	Low	113 Å²	113	111.4 Å²	111.4	44%	0.443	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.9	156.4	169.9	70.5	-77.5	0	0	0	109.2	K61 L62	Y49-K61 HydrophobicContact CD1-CB 4.17Å; Y49-K61 WeakPolarHBondContact CD1-O 3.46Å; Y49-K61 HydrophobicContact CE1-CB 3.59Å; Y49-K61 HydrophobicContact CE2-CB 4.06Å; Y49-K61 HydrophobicContact CE2-CD 4.24Å; Y49-K61 PolarHBondContact N-O 2.88Å; Y49-K61 PolarHBondContact O-N 3.45Å; Y49-K61 VanDerWaalsContact O-O 3.04Å; Y49-K61 WeakPolarHBondContact OH-CD 3.37Å; Y49-L62 WeakPolarHBondContact CE1-O 3.49Å
50	Y	63.3	Low	53.4	Low	114 Å²	114	111.3 Å²	111.3	45%	0.447	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.9	129.3	172.3	-66.5	-98.9	0	0	0	108.3	L58 A59 A60	Y50-L58 HydrophobicContact CD1-CB 4.4Å; Y50-A59 WeakPolarHBondContact CA-O 3.37Å; Y50-A60 HydrophobicContact CD1-CB 3.95Å; Y50-A60 HydrophobicContact CE1-CB 3.69Å
51	S	58.4	Low	54.4	Low	21 Å²	21	105.8 Å²	105.8	15%	0.147	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.5	169.6	66.5	0	0	0	0	109.5	A59 K61	S51-A59 PolarHBondContact N-O 3.3Å; S51-A59 PolarHBondContact O-N 3.17Å; S51-K61 VanDerWaalsContact OG-CD 3.29Å; S51-K61 WeakPolarHBondContact OG-CD 3.18Å; S51-K61 WeakPolarHBondContact OG-CE 3.46Å; S51-K61 PolarHBondContact OG-NZ 3.41Å
52	L	60	Low	55	Low	119 Å²	119	105.2 Å²	105.2	62%	0.623	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	138.9	161.4	-133.3	73.1	0	0	0	109.2	L58	L52-L58 HydrophobicContact CD1-CD2 3.71Å; L52-L58 HydrophobicContact CD1-CG 3.92Å
53	L	66	Low	55.9	Low	70 Å²	70	103.8 Å²	103.8	37%	0.366	53%	0.531	S	S	.	.			trans	-96.6	161.1	163.1	-62.4	-177.2	0	0	0	109.1	N55 G56 N57 A59	L53-N55 WeakPolarHBondContact CB-OD1 3.46Å; L53-N55 PolarHBondContact O-N 3.3Å; L53-G56 PolarHBondContact O-N 2.93Å; L53-N57 PolarHBondContact N-O 3.48Å; L53-A59 HydrophobicContact CD1-CB 3.87Å; L53-A59 HydrophobicContact CD2-CB 3.94Å; L53-A59 HydrophobicContact CG-CB 3.77Å
54	N	61.5	Low	56.5	Low	183 Å²	183	106.6 Å²	106.6	98%	0.979	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.2	-177	-58.6	19.1	0	0	0	113.7	G56	N54-G56 VanDerWaalsContact C-N 3.34Å
55	N	75.3	Confident	57.1	Low	109 Å²	109	102.5 Å²	102.5	58%	0.583	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	15.6	172.4	67.3	-0.6	0	0	0	113.7	L53 N57	L53-N55 WeakPolarHBondContact CB-OD1 3.46Å; L53-N55 PolarHBondContact O-N 3.3Å; N55-N57 VanDerWaalsContact C-N 3.25Å; N55-N57 PolarHBondContact ND2-ND2 3.36Å; N55-N57 PolarHBondContact O-N 2.84Å; N55-N57 WeakPolarHBondContact OD1-CB 3.35Å; N55-N57 PolarHBondContact OD1-N 3.49Å; N55-N57 PolarHBondContact OD1-ND2 2.97Å
56	G	55.1	Low	57.2	Low	45 Å²	45	109.3 Å²	109.3	46%	0.464	56%	0.557	S	S	.	*	S	Bend	trans	77.7	-4.3	178.9	0	0	0	0	0	115.6	L53 N54	L53-G56 PolarHBondContact O-N 2.93Å; N54-G56 VanDerWaalsContact C-N 3.34Å
57	N	57.4	Low	56.8	Low	95 Å²	95	101.7 Å²	101.7	51%	0.508	54%	0.541	S	S	.	.			trans	-83.5	141.6	-178.1	-68.8	-56.7	0	0	0	112.5	L53 N55 A59	L53-N57 PolarHBondContact N-O 3.48Å; N55-N57 VanDerWaalsContact C-N 3.25Å; N55-N57 PolarHBondContact ND2-ND2 3.36Å; N55-N57 PolarHBondContact O-N 2.84Å; N55-N57 WeakPolarHBondContact OD1-CB 3.35Å; N55-N57 PolarHBondContact OD1-N 3.49Å; N55-N57 PolarHBondContact OD1-ND2 2.97Å; N57-A59 PolarHBondContact O-N 2.89Å
58	L	49	Very low	56.3	Low	107 Å²	107	102 Å²	102	56%	0.56	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	100.7	178.5	-79.6	162.2	0	0	0	111.5	Y50 L52	Y50-L58 HydrophobicContact CD1-CB 4.4Å; L52-L58 HydrophobicContact CD1-CD2 3.71Å; L52-L58 HydrophobicContact CD1-CG 3.92Å
59	A	62	Low	55.6	Low	27 Å²	27	102.8 Å²	102.8	22%	0.223	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.2	126.5	173.8	0	0	0	0	0	111.7	Y50 S51 L53 N57 K61	Y50-A59 WeakPolarHBondContact CA-O 3.37Å; S51-A59 PolarHBondContact N-O 3.3Å; S51-A59 PolarHBondContact O-N 3.17Å; L53-A59 HydrophobicContact CD1-CB 3.87Å; L53-A59 HydrophobicContact CD2-CB 3.94Å; L53-A59 HydrophobicContact CG-CB 3.77Å; N57-A59 PolarHBondContact O-N 2.89Å; A59-K61 PolarHBondContact O-N 2.97Å
60	A	68.4	Low	54.5	Low	67 Å²	67	103.8 Å²	103.8	55%	0.554	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.4	112.4	170.7	0	0	0	0	0	110.2	I48 Y50	I48-A60 HydrophobicContact CG2-CB 4.12Å; Y50-A60 HydrophobicContact CD1-CB 3.95Å; Y50-A60 HydrophobicContact CE1-CB 3.69Å
61	K	59.1	Low	53.2	Low	82 Å²	82	104.9 Å²	104.9	36%	0.357	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	140.1	176.4	-72.3	178.9	179.7	155.4	0	110.2	I48 Y49 S51 A59	I48-K61 WeakPolarHBondContact CA-O 3.48Å; Y49-K61 HydrophobicContact CD1-CB 4.17Å; Y49-K61 WeakPolarHBondContact CD1-O 3.46Å; Y49-K61 HydrophobicContact CE1-CB 3.59Å; Y49-K61 HydrophobicContact CE2-CB 4.06Å; Y49-K61 HydrophobicContact CE2-CD 4.24Å; Y49-K61 PolarHBondContact N-O 2.88Å; Y49-K61 PolarHBondContact O-N 3.45Å; Y49-K61 VanDerWaalsContact O-O 3.04Å; Y49-K61 WeakPolarHBondContact OH-CD 3.37Å; S51-K61 VanDerWaalsContact OG-CD 3.29Å; S51-K61 WeakPolarHBondContact OG-CD 3.18Å; S51-K61 WeakPolarHBondContact OG-CE 3.46Å; S51-K61 PolarHBondContact OG-NZ 3.41Å; A59-K61 PolarHBondContact O-N 2.97Å
62	L	51.2	Low	52.3	Low	136 Å²	136	110.5 Å²	110.5	71%	0.712	60%	0.601	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66.5	132.8	164.4	-74.7	161.8	0	0	0	108.3	Q47 I48 Y49 K64	Q47-L62 WeakPolarHBondContact O-CA 3.33Å; I48-L62 HydrophobicContact CG1-CD2 4.12Å; Y49-L62 WeakPolarHBondContact CE1-O 3.49Å; L62-K64 PolarHBondContact O-N 3.29Å
63	S	56.8	Low	51.3	Low	45 Å²	45	111.2 Å²	111.2	32%	0.315	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-57.5	139.4	164.4	56	0	0	0	0	108.3	R46 Q47	R46-S63 PolarHBondContact O-OG 3.31Å; Q47-S63 WeakPolarHBondContact CA-OG 3.36Å; Q47-S63 PolarHBondContact O-N 3.04Å; Q47-S63 PolarHBondContact O-OG 2.79Å
64	K	47.9	Very low	49.9	Very low	192 Å²	192	113.4 Å²	113.4	84%	0.835	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-47	135.3	172.7	-74.6	-172.9	176.6	-176.8	0	108.4	L62 K66	L62-K64 PolarHBondContact O-N 3.29Å; K64-K66 PolarHBondContact O-N 3.2Å
65	P	49.2	Very low	48.4	Very low	121 Å²	121	111.2 Å²	111.2	79%	0.786	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-53.5	136.3	167.9	25.6	-33	0	0	0	107.1	S67	P65-S67 PolarHBondContact O-N 3.4Å
66	K	46.5	Very low	46.6	Very low	199 Å²	199	111.2 Å²	111.2	87%	0.865	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-52.9	142.3	166.7	-75.1	-166.6	166.7	-153.6	0	107.6	K64 L68	K64-K66 PolarHBondContact O-N 3.2Å; K66-L68 PolarHBondContact O-N 3.37Å
67	S	39.6	Very low	46	Very low	85 Å²	85	117.3 Å²	117.3	59%	0.594	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-49.2	134	165.2	39.1	0	0	0	0	108.8	P65 D69	P65-S67 PolarHBondContact O-N 3.4Å; S67-D69 WeakPolarHBondContact CB-OD1 3.46Å; S67-D69 PolarHBondContact O-N 3.02Å; S67-D69 PolarHBondContact OG-OD1 3.25Å
68	L	42.1	Very low	45.3	Very low	134 Å²	134	115.9 Å²	115.9	70%	0.702	61%	0.611	S	S	*	*			trans	-70.2	91.8	153.2	-83.9	157.4	0	0	0	104.6	K66 N70	K66-L68 PolarHBondContact O-N 3.37Å; L68-N70 VanDerWaalsContact C-N 3.26Å; L68-N70 PolarHBondContact O-N 3.4Å; L68-N70 PolarHBondContact O-OD1 2.74Å
69	D	35.5	Very low	45.5	Very low	94 Å²	94	114.5 Å²	114.5	50%	0.503	61%	0.605	S	S	.	*			trans	-65.7	92.2	174.5	-73.7	-8.2	0	0	0	107.7	S67 N71 H72	S67-D69 WeakPolarHBondContact CB-OD1 3.46Å; S67-D69 PolarHBondContact O-N 3.02Å; S67-D69 PolarHBondContact OG-OD1 3.25Å; D69-N71 PolarHBondContact O-N 2.65Å; D69-H72 PolarHBondContact O-N 3.09Å
70	N	40.1	Very low	46.1	Very low	134 Å²	134	116 Å²	116	72%	0.717	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-58.5	-16.2	177.2	-68.2	-22.4	0	0	0	112	L68 H72	L68-N70 VanDerWaalsContact C-N 3.26Å; L68-N70 PolarHBondContact O-N 3.4Å; L68-N70 PolarHBondContact O-OD1 2.74Å; N70-H72 PolarHBondContact O-N 3.13Å; N70-H72 VanDerWaalsContact O-N 3.12Å
71	N	35.3	Very low	47.2	Very low	138 Å²	138	113.2 Å²	113.2	74%	0.738	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-64.1	-5.5	171.2	-63.4	2.7	0	0	0	114	D69 L73 T74	D69-N71 PolarHBondContact O-N 2.65Å; N71-L73 PolarHBondContact O-N 2.94Å; N71-T74 PolarHBondContact O-OG1 3.5Å
72	H	39.9	Very low	48.8	Very low	139 Å²	139	111.7 Å²	111.7	64%	0.644	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-67	-10	174.1	-98.3	-55.5	0	0	0	115	D69 N70 T74	D69-H72 PolarHBondContact O-N 3.09Å; N70-H72 PolarHBondContact O-N 3.13Å; N70-H72 VanDerWaalsContact O-N 3.12Å; H72-T74 VanDerWaalsContact C-N 3.3Å; H72-T74 PolarHBondContact O-N 3.1Å
73	L	38.6	Very low	50.7	Low	133 Å²	133	105.2 Å²	105.2	70%	0.696	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-65.5	-26.7	177.6	-108.9	73.7	0	0	0	114.2	N71	N71-L73 PolarHBondContact O-N 2.94Å
74	T	36.5	Very low	52.5	Low	117 Å²	117	103.1 Å²	103.1	72%	0.718	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-98.4	-6.5	-171.2	54.6	0	0	0	0	114.8	N71 H72	N71-T74 PolarHBondContact O-OG1 3.5Å; H72-T74 VanDerWaalsContact C-N 3.3Å; H72-T74 PolarHBondContact O-N 3.1Å
75	N	31.2	Very low	54.4	Low	137 Å²	137	98.1 Å²	98.1	73%	0.733	52%	0.516	S	S	*	.	S	Bend	trans	-132.5	40	-177.7	-95.9	-59.9	0	0	0	112.1	K77	N75-K77 PolarHBondContact O-N 3.2Å; N75-K77 VanDerWaalsContact O-N 3.09Å
76	W	37.7	Very low	56.2	Low	109 Å²	109	96.4 Å²	96.4	41%	0.413	50%	0.5	S	S	.	.			trans	-76.3	96.5	179.4	-167.3	76.9	0	0	0	111.7	P78 Q322 N326	W76-P78 HydrophobicContact CE3-CB 4.26Å; W76-P78 HydrophobicContact CH2-CB 3.89Å; W76-P78 HydrophobicContact CZ3-CB 3.6Å; W76-P78 HydrophobicContact CZ3-CG 4.48Å; W76-P78 WeakPolarHBondContact O-CD 3.45Å; W76-Q322 HydrophobicContact CH2-CB 4.31Å; W76-Q322 HydrophobicContact CZ2-CB 4.15Å; W76-N326 VanDerWaalsContact CD2-ND2 3.33Å; W76-N326 VanDerWaalsContact CE2-ND2 3.29Å; W76-N326 WeakPolarHBondContact CH2-ND2 3.38Å; W76-N326 WeakPolarHBondContact CZ2-ND2 3.41Å; W76-N326 WeakPolarHBondContact CZ3-ND2 3.4Å
77	K	42.4	Very low	58.3	Low	172 Å²	172	86.9 Å²	86.9	75%	0.748	46%	0.459	S	S	*	.			trans	-66	123.7	160.1	-73.2	-169.3	177.1	-174.3	0	108.9	N75	N75-K77 PolarHBondContact O-N 3.2Å; N75-K77 VanDerWaalsContact O-N 3.09Å
78	P	42.2	Very low	60.8	Low	66 Å²	66	83.2 Å²	83.2	43%	0.429	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	162.5	164.5	24.5	-32.5	0	0	0	110.9	W76	W76-P78 HydrophobicContact CE3-CB 4.26Å; W76-P78 HydrophobicContact CH2-CB 3.89Å; W76-P78 HydrophobicContact CZ3-CB 3.6Å; W76-P78 HydrophobicContact CZ3-CG 4.48Å; W76-P78 WeakPolarHBondContact O-CD 3.45Å
79	N	53.7	Low	63.1	Low	78 Å²	78	77.9 Å²	77.9	42%	0.417	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	5.4	168.9	-44.9	-36.3	0	0	0	118.6	I81	N79-I81 PolarHBondContact O-N 2.93Å
80	S	74.8	Confident	65.7	Low	59 Å²	59	73.8 Å²	73.8	41%	0.413	38%	0.382	S	S	.	.			trans	-77.5	39.9	-179.8	86.1	0	0	0	0	115.4	K82	S80-K82 PolarHBondContact O-NZ 3.3Å
81	I	90.5	Very high	67.6	Low	8 Å²	8	72.7 Å²	72.7	4%	0.041	38%	0.383	C	S	.	.			trans	-56.3	148.1	174.9	57.2	169.4	0	0	0	111.5	N79 L89 N150 Y318 T319 I463	N79-I81 PolarHBondContact O-N 2.93Å; I81-L89 HydrophobicContact CD1-CD1 4.41Å; I81-L89 HydrophobicContact CD1-CD2 4.39Å; I81-N150 PolarHBondContact O-N 3.09Å; I81-Y318 HydrophobicContact CG2-CD1 4.03Å; I81-Y318 HydrophobicContact CG2-CE1 4.34Å; I81-T319 WeakPolarHBondContact CG2-OG1 3.07Å; I81-I463 HydrophobicContact CB-CD1 4.3Å; I81-I463 HydrophobicContact CD1-CG2 4.01Å; I81-I463 HydrophobicContact CG2-CD1 4.41Å
82	K	93.1	Very high	69.8	Low	49 Å²	49	71 Å²	71	21%	0.213	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.3	178.4	-50.1	-54	-178.5	-158.6	0	110.8	S80 K148 S149 A348 N350	S80-K82 PolarHBondContact O-NZ 3.3Å; K82-K148 WeakPolarHBondContact CA-O 3.46Å; K82-S149 PolarHBondContact NZ-OG 3.24Å; K82-A348 HydrophobicContact CB-CB 3.96Å; K82-A348 WeakPolarHBondContact CB-O 3.44Å; K82-A348 WeakPolarHBondContact CG-O 3.27Å; K82-N350 WeakPolarHBondContact CB-OD1 3.5Å; K82-N350 PolarHBondContact N-OD1 3.25Å; K82-N350 PolarHBondContact O-ND2 2.89Å
83	L	91.9	Very high	72.1	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	152.6	-177.7	-68.9	169	0	0	0	110.2	F87 L89 S147 K148 I463	L83-F87 HydrophobicContact CD2-CD1 3.94Å; L83-F87 HydrophobicContact CD2-CE1 4.46Å; L83-L89 HydrophobicContact CD1-CB 3.82Å; L83-L89 HydrophobicContact CD2-CD1 4.39Å; L83-S147 CarbonylContact O-C 3.55Å; L83-S147 WeakPolarHBondContact O-CA 3.39Å; L83-S147 WeakPolarHBondContact O-CB 2.94Å; L83-K148 HydrophobicContact CB-CG 4.34Å; L83-K148 PolarHBondContact N-O 2.85Å; L83-K148 PolarHBondContact O-N 3.27Å; L83-I463 HydrophobicContact CD2-CG2 3.35Å; L83-I463 HydrophobicContact CG-CG2 4.48Å
84	P	93	Very high	74.7	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.013	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	142.7	163.6	-20	31.3	0	0	0	110.7	N86 F87 F144 L196 V464 L471	P84-N86 VanDerWaalsContact C-N 3.27Å; P84-N86 PolarHBondContact O-N 2.78Å; P84-N86 VanDerWaalsContact O-N 3.08Å; P84-F87 HydrophobicContact CB-CB 4.17Å; P84-F87 HydrophobicContact CG-CB 4.28Å; P84-F87 WeakPolarHBondContact O-CB 3.46Å; P84-F87 PolarHBondContact O-N 3.32Å; P84-F144 HydrophobicContact CB-CE2 4.48Å; P84-L196 HydrophobicContact CG-CD1 4.12Å; P84-V464 HydrophobicContact CG-CG1 4Å; P84-L471 HydrophobicContact CG-CD1 4.13Å; P84-L471 HydrophobicContact CG-CD2 4.18Å
85	L	89.3	Confident	77.4	Confident	87 Å²	87	62.4 Å²	62.4	46%	0.455	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-46.3	-171.2	-173.6	67.1	0	0	0	114.3	A146 K148	L85-A146 PolarHBondContact N-O 3.21Å; L85-A146 VanDerWaalsContact N-O 3.14Å; L85-K148 HydrophobicContact CD1-CB 4.3Å; L85-K148 VanDerWaalsContact O-CD 3.29Å; L85-K148 WeakPolarHBondContact O-CD 3.41Å; L85-K148 WeakPolarHBondContact O-CE 3.35Å; L85-K148 PolarHBondContact O-NZ 2.89Å
86	N	86.5	Confident	80.4	Confident	84 Å²	84	57.4 Å²	57.4	45%	0.449	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	23.7	-175.4	-57.2	0.9	0	0	0	112.7	P84 P138 M139	P84-N86 VanDerWaalsContact C-N 3.27Å; P84-N86 PolarHBondContact O-N 2.78Å; P84-N86 VanDerWaalsContact O-N 3.08Å; N86-P138 VanDerWaalsContact O-CB 3.3Å; N86-P138 WeakPolarHBondContact O-CB 3.45Å; N86-M139 HydrophobicContact CB-CB 4.22Å; N86-M139 WeakPolarHBondContact CB-O 3.39Å; N86-M139 PolarHBondContact ND2-O 2.94Å
87	F	91.5	Very high	83.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.			trans	-99.1	125.4	172.8	-160.8	-82.4	0	0	0	108.9	L83 P84 Y136 P138 K148 L196 V464	L83-F87 HydrophobicContact CD2-CD1 3.94Å; L83-F87 HydrophobicContact CD2-CE1 4.46Å; P84-F87 HydrophobicContact CB-CB 4.17Å; P84-F87 HydrophobicContact CG-CB 4.28Å; P84-F87 WeakPolarHBondContact O-CB 3.46Å; P84-F87 PolarHBondContact O-N 3.32Å; F87-Y136 HydrophobicContact CZ-CE1 4.46Å; F87-P138 HydrophobicContact CD2-CB 4.1Å; F87-P138 HydrophobicContact CD2-CG 3.91Å; F87-P138 HydrophobicContact CE2-CG 4.13Å; F87-K148 WeakPolarHBondContact O-CE 3.41Å; F87-K148 PolarHBondContact O-NZ 3.15Å; F87-L196 HydrophobicContact CD2-CD1 4.03Å; F87-L196 HydrophobicContact CE2-CD1 4.14Å; F87-L196 HydrophobicContact CE2-CD2 4.48Å; F87-V464 HydrophobicContact CD2-CB 4.4Å; F87-V464 HydrophobicContact CD2-CG1 4.28Å; F87-V464 HydrophobicContact CE2-CB 3.84Å; F87-V464 HydrophobicContact CE2-CG1 4.19Å; F87-V464 HydrophobicContact CZ-CB 3.97Å; F87-V464 HydrophobicContact CZ-CG1 4.37Å
88	E	91.5	Very high	85.4	Confident	7 Å²	7	49.8 Å²	49.8	3%	0.033	27%	0.269	C	S	.	.			trans	-89.1	151	175.8	-61.5	-170	148.2	0	0	111.3	Y136 T152 E154 Q155 R171	E88-Y136 HydrophobicContact CB-CE2 4.05Å; E88-Y136 HydrophobicContact CG-CE2 4.25Å; E88-Y136 PolarHBondContact N-OH 3.12Å; E88-Y136 PolarHBondContact O-OH 3.46Å; E88-T152 WeakPolarHBondContact CA-O 3.48Å; E88-T152 WeakPolarHBondContact CB-O 3.26Å; E88-E154 WeakPolarHBondContact OE1-CA 3.41Å; E88-E154 PolarHBondContact OE1-N 3.02Å; E88-Q155 PolarHBondContact OE1-N 3.01Å; E88-R171 HydrophobicContact CB-CG 4.28Å; E88-R171 WeakPolarHBondContact OE2-CD 3.32Å; E88-R171 IonicContact OE2-CZ 3.77Å; E88-R171 IonicContact OE2-NE 2.63Å; E88-R171 IonicContact OE2-NH1 3.01Å; E88-R171 PolarHBondContact OE2-NH1 3.24Å
89	L	89.6	Confident	88	Confident	23 Å²	23	52.1 Å²	52.1	12%	0.12	27%	0.273	C	S	.	.			trans	-149.3	131.9	174.2	-169.8	122.7	0	0	0	108.4	I81 L83 R171	I81-L89 HydrophobicContact CD1-CD1 4.41Å; I81-L89 HydrophobicContact CD1-CD2 4.39Å; L83-L89 HydrophobicContact CD1-CB 3.82Å; L83-L89 HydrophobicContact CD2-CD1 4.39Å; L89-R171 CarbonylContact C-O 3.55Å; L89-R171 VanDerWaalsContact CA-O 3.3Å; L89-R171 WeakPolarHBondContact CA-O 3.41Å
90	I	90	Very high	89.9	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.036	26%	0.259	C	S	.	.			trans	-63.5	149.9	178.1	69.5	-178.8	0	0	0	110.5	D92 I153 E169 R171 F172	I90-D92 HydrophobicContact CD1-CB 4.1Å; I90-D92 HydrophobicContact CG1-CB 4.29Å; I90-D92 PolarHBondContact O-N 2.78Å; I90-I153 HydrophobicContact CB-CD1 4.22Å; I90-I153 HydrophobicContact CG2-CD1 3.89Å; I90-I153 HydrophobicContact CG2-CG1 4.46Å; I90-E169 HydrophobicContact CG2-CG 4.14Å; I90-R171 HydrophobicContact CG2-CB 4.06Å; I90-R171 WeakPolarHBondContact CG2-O 3.07Å; I90-R171 PolarHBondContact N-O 3.49Å; I90-F172 HydrophobicContact CD1-CB 4.22Å; I90-F172 HydrophobicContact CD1-CD1 4.19Å; I90-F172 HydrophobicContact CG1-CB 4.22Å
91	P	80.6	Confident	90.8	Very high	112 Å²	112	47.3 Å²	47.3	73%	0.727	24%	0.244	S	C	*	.	S	Bend	trans	-67.2	-25	177.8	28	-35.3	0	0	0	112.8	R93	P91-R93 PolarHBondContact O-N 2.68Å
92	D	82.3	Confident	90.9	Very high	102 Å²	102	55.2 Å²	55.2	55%	0.545	29%	0.285	S	S	.	.	S	Bend	trans	-70.3	122	-174.1	-52.8	-45.7	0	0	0	112.7	I90 I94	I90-D92 HydrophobicContact CD1-CB 4.1Å; I90-D92 HydrophobicContact CG1-CB 4.29Å; I90-D92 PolarHBondContact O-N 2.78Å; D92-I94 PolarHBondContact O-N 3.09Å
93	R	87.6	Confident	90.8	Very high	75 Å²	75	60.3 Å²	60.3	28%	0.283	31%	0.31	S	S	.	.			trans	-75.8	103.1	172	-176.9	68.5	-178.8	140.8	4	109.9	P91 L95 E173 T317 E323	P91-R93 PolarHBondContact O-N 2.68Å; R93-L95 HydrophobicContact CG-CD2 3.9Å; R93-L95 HydrophobicContact CG-CG 4.06Å; R93-L95 PolarHBondContact O-N 3.23Å; R93-E173 IonicContact CZ-OE2 2.84Å; R93-E173 IonicContact NH1-OE2 2.72Å; R93-E173 PolarHBondContact NH1-OE2 3Å; R93-T317 PolarHBondContact NH2-OG1 2.95Å; R93-E323 IonicContact CZ-OE1 3.29Å; R93-E323 VanDerWaalsContact CZ-OE1 3.25Å; R93-E323 IonicContact NE-OE1 3.32Å; R93-E323 PolarHBondContact NE-OE1 2.94Å; R93-E323 IonicContact NH2-OE1 2.9Å; R93-E323 PolarHBondContact NH2-OE1 3.14Å; R93-E323 IonicContact NH2-OE2 3.57Å
94	I	92.9	Very high	90.9	Very high	23 Å²	23	64.9 Å²	64.9	12%	0.118	33%	0.327	C	S	.	.			trans	-67.7	124.2	171.3	-59.8	165.7	0	0	0	109.4	D92 H96 F172 Y309	D92-I94 PolarHBondContact O-N 3.09Å; I94-H96 WeakPolarHBondContact CG2-NE2 3.42Å; I94-F172 HydrophobicContact CD1-CB 3.57Å; I94-F172 HydrophobicContact CD1-CD1 3.47Å; I94-F172 VanDerWaalsContact CD1-CD1 3.47Å; I94-F172 HydrophobicContact CD1-CD2 3.48Å; I94-F172 VanDerWaalsContact CD1-CD2 3.48Å; I94-F172 HydrophobicContact CD1-CE1 3.85Å; I94-F172 HydrophobicContact CD1-CE2 3.88Å; I94-F172 HydrophobicContact CD1-CG 3.23Å; I94-F172 HydrophobicContact CD1-CZ 4.02Å; I94-Y309 HydrophobicContact CD1-CD1 4.44Å; I94-Y309 HydrophobicContact CD1-CE1 3.61Å; I94-Y309 HydrophobicContact CG1-CE1 4.06Å; I94-Y309 HydrophobicContact CG2-CE1 3.98Å
95	L	92.4	Very high	91	Very high	111 Å²	111	66.1 Å²	66.1	58%	0.581	33%	0.333	S	S	*	.			trans	-124.2	136.9	175.4	-63.5	176.5	0	0	0	109.4	R93	R93-L95 HydrophobicContact CG-CD2 3.9Å; R93-L95 HydrophobicContact CG-CG 4.06Å; R93-L95 PolarHBondContact O-N 3.23Å
96	H	95.4	Very high	91.3	Very high	32 Å²	32	69.4 Å²	69.4	15%	0.148	34%	0.339	C	S	.	.			trans	-125.4	133.8	-179	-67.5	149.5	0	0	0	111.1	I94 N98 Y206 Y241 W253 Y309	I94-H96 WeakPolarHBondContact CG2-NE2 3.42Å; H96-N98 PolarHBondContact O-N 3Å; H96-Y206 AromaticContact CE1-CE2 3.97Å; H96-Y206 AromaticContact CE1-CZ 3.92Å; H96-Y206 PolarHBondContact CE1-OH 2.86Å; H96-Y241 HydrophobicContact CB-CD2 4.06Å; H96-Y241 HydrophobicContact CB-CE2 3.69Å; H96-Y241 AromaticContact CD2-CD1 3.46Å; H96-Y241 VanDerWaalsContact CD2-CD1 3.46Å; H96-Y241 WeakPolarHBondContact CD2-CD1 3.29Å; H96-Y241 AromaticContact CD2-CD2 3.85Å; H96-Y241 AromaticContact CD2-CE1 3.44Å; H96-Y241 VanDerWaalsContact CD2-CE1 3.44Å; H96-Y241 WeakPolarHBondContact CD2-CE1 3.33Å; H96-Y241 AromaticContact CD2-CE2 3.83Å; H96-Y241 AromaticContact CD2-CG 3.67Å; H96-Y241 AromaticContact CD2-CZ 3.62Å; H96-Y241 AromaticContact CG-CE2 3.99Å; H96-Y241 AromaticContact NE2-CD1 3.76Å; H96-Y241 AromaticContact NE2-CG 3.95Å; H96-W253 AromaticContact CE1-CZ2 3.39Å; H96-W253 WeakPolarHBondContact CE1-CZ2 3.14Å; H96-W253 AromaticContact CG-NE1 3.95Å; H96-W253 AromaticContact ND1-CE2 3.74Å; H96-W253 AromaticContact ND1-CZ2 3.35Å; H96-W253 VanDerWaalsContact ND1-CZ2 3.35Å; H96-W253 WeakPolarHBondContact ND1-CZ2 3.31Å; H96-W253 AromaticContact ND1-NE1 3.68Å; H96-Y309 AromaticContact NE2-CD2 3.42Å; H96-Y309 WeakPolarHBondContact NE2-CD2 3.31Å; H96-Y309 AromaticContact NE2-CE2 3.71Å; H96-Y309 AromaticContact NE2-CG 3.69Å
97	I	94.5	Very high	91.8	Very high	71 Å²	71	66.5 Å²	66.5	36%	0.364	32%	0.323	S	S	.	.			trans	-66.2	122.6	169.7	-59.1	179.9	0	0	0	108.5	K99 Y241 A246 G250 G252	I97-K99 VanDerWaalsContact C-N 3.3Å; I97-K99 HydrophobicContact CG2-CB 3.84Å; I97-K99 PolarHBondContact O-N 3.08Å; I97-Y241 HydrophobicContact CB-CE2 4.45Å; I97-Y241 PolarHBondContact N-OH 2.98Å; I97-A246 HydrophobicContact CD1-CB 4.19Å; I97-G250 WeakPolarHBondContact CG2-O 3.29Å; I97-G252 WeakPolarHBondContact O-CA 3.17Å
98	N	91.2	Very high	91.9	Very high	50 Å²	50	67.7 Å²	67.7	27%	0.267	33%	0.328	S	S	.	.			trans	-93.9	46.1	178	-168.7	53.9	0	0	0	112.2	H96 W426 S605 E609	H96-N98 PolarHBondContact O-N 3Å; N98-W426 HydrophobicContact CB-CH2 4.22Å; N98-W426 VanDerWaalsContact CG-CH2 3.46Å; N98-W426 WeakPolarHBondContact ND2-CZ3 3.25Å; N98-W426 WeakPolarHBondContact OD1-CH2 3.43Å; N98-S605 PolarHBondContact ND2-OG 3.45Å; N98-S605 WeakPolarHBondContact OD1-CB 3.32Å; N98-S605 PolarHBondContact OD1-OG 2.79Å; N98-E609 PolarHBondContact ND2-OE1 3.1Å
99	K	95.2	Very high	92	Very high	115 Å²	115	73.9 Å²	73.9	50%	0.5	36%	0.355	S	S	.	.			trans	-106.7	111.8	174	-169.3	-176.8	-175.7	-176.2	0	108.5	I97 G250 G252	I97-K99 VanDerWaalsContact C-N 3.3Å; I97-K99 HydrophobicContact CG2-CB 3.84Å; I97-K99 PolarHBondContact O-N 3.08Å; K99-G250 WeakPolarHBondContact CB-O 3.27Å; K99-G250 WeakPolarHBondContact CD-O 3.46Å; K99-G252 PolarHBondContact O-N 2.96Å
100	P	94.7	Very high	92	Very high	19 Å²	19	76.5 Å²	76.5	12%	0.123	37%	0.374	C	S	.	.			trans	-69.6	164.4	173.7	30.5	-34.6	0	0	0	111.1	N604 L606	P100-N604 HydrophobicContact CB-CB 3.89Å; P100-N604 HydrophobicContact CG-CB 4.49Å; P100-L606 HydrophobicContact CG-CD1 3.63Å; P100-L606 HydrophobicContact CG-CG 3.96Å
101	P	93.7	Very high	92.2	Very high	16 Å²	16	80.5 Å²	80.5	10%	0.104	40%	0.398	C	S	.	.			trans	-60.9	155.5	165.8	27.8	-35.3	0	0	0	111.3	E105 I251	P101-E105 HydrophobicContact CG-CG 3.65Å; P101-I251 HydrophobicContact CB-CG2 4.18Å
102	L	91.2	Very high	92.7	Very high	174 Å²	174	78.7 Å²	78.7	91%	0.911	40%	0.4	S	S	*	.	S	Bend	trans	-64.5	-42.5	179.1	-66.8	169.3	0	0	0	112
103	E	92.2	Very high	93.2	Very high	157 Å²	157	82.6 Å²	82.6	73%	0.734	41%	0.412	S	S	*	.	S	Bend	trans	-81.8	139.9	173.9	-67.8	-173.8	-170.5	0	0	111.9	E105	E103-E105 PolarHBondContact O-N 3Å
104	R	93.1	Very high	93.6	Very high	96 Å²	96	80 Å²	80	36%	0.362	40%	0.403	S	S	.	.			trans	-69.3	122.4	173.8	-87.8	176.2	159.2	172.6	-3.9	110.9	R106 Y601 D607	R104-R106 PolarHBondContact O-N 3.45Å; R104-Y601 HydrophobicContact CB-CD2 4.22Å; R104-Y601 HydrophobicContact CB-CG 4.13Å; R104-Y601 HydrophobicContact CG-CD2 4.1Å; R104-Y601 HydrophobicContact CG-CG 4.47Å; R104-Y601 VanDerWaalsContact CZ-CE2 3.42Å; R104-Y601 VanDerWaalsContact NH1-CZ 3.34Å; R104-Y601 PolarHBondContact NH1-OH 3.02Å; R104-Y601 VanDerWaalsContact NH1-OH 3.14Å; R104-D607 IonicContact CZ-OD1 2.62Å; R104-D607 IonicContact NE-OD1 2.75Å; R104-D607 IonicContact NH2-OD1 3.31Å; R104-D607 PolarHBondContact NH2-OD1 2.87Å
105	E	96.1	Very high	93.6	Very high	27 Å²	27	83 Å²	83	13%	0.126	42%	0.419	C	S	.	.			trans	-74.7	111.2	-171.3	-59.6	-170.5	117.1	0	0	112	P101 E103 R254 R255 H602	P101-E105 HydrophobicContact CG-CG 3.65Å; E103-E105 PolarHBondContact O-N 3Å; E105-R254 IonicContact OE1-CZ 3.28Å; E105-R254 VanDerWaalsContact OE1-CZ 3.3Å; E105-R254 IonicContact OE1-NE 3.6Å; E105-R254 PolarHBondContact OE1-NE 3.05Å; E105-R254 IonicContact OE1-NH2 2.72Å; E105-R254 PolarHBondContact OE1-NH2 3.26Å; E105-R255 HydrophobicContact CB-CB 4.02Å; E105-R255 HydrophobicContact CB-CG 4.24Å; E105-R255 VanDerWaalsContact CD-N 3.35Å; E105-R255 PolarHBondContact OE1-N 3.23Å; E105-R255 VanDerWaalsContact OE2-CB 3.26Å; E105-R255 WeakPolarHBondContact OE2-CB 3.39Å; E105-R255 WeakPolarHBondContact OE2-CG 3.44Å; E105-R255 PolarHBondContact OE2-N 2.98Å; E105-H602 WeakPolarHBondContact O-CB 3.37Å; E105-H602 PolarHBondContact O-N 3.13Å; E105-H602 PolarHBondContact O-ND1 3.38Å
106	R	95.5	Very high	93.6	Very high	156 Å²	156	83.1 Å²	83.1	59%	0.589	42%	0.416	S	S	*	.	B	Isolated β-bridge	trans	-57.6	149	-176.8	-55.5	-178.3	-167.6	-153.9	10.5	113.2	R104 R237 E599 H602	R104-R106 PolarHBondContact O-N 3.45Å; R106-R237 PolarHBondContact O-NE 2.69Å; R106-E599 WeakPolarHBondContact CD-OE2 3.28Å; R106-E599 IonicContact CZ-OE2 3.1Å; R106-E599 IonicContact NE-OE2 3.73Å; R106-E599 IonicContact NH1-OE2 3.8Å; R106-E599 PolarHBondContact NH1-OE2 3.04Å; R106-H602 PolarHBondContact O-CE1 3.15Å; R106-H602 PolarHBondContact O-ND1 2.96Å
107	L	95.9	Very high	93.4	Very high	23 Å²	23	82.8 Å²	82.8	12%	0.12	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-59.3	158.7	172	-62.5	-167	0	0	0	111.8	R237 C590 T592 G600	L107-R237 PolarHBondContact O-NH2 2.84Å; L107-R237 VanDerWaalsContact O-NH2 3.12Å; L107-C590 WeakPolarHBondContact CD2-SG 3.44Å; L107-T592 WeakPolarHBondContact CD1-O 3.46Å; L107-G600 PolarHBondContact N-O 3.24Å
108	Y	95.2	Very high	92.9	Very high	25 Å²	25	84.4 Å²	84.4	10%	0.098	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-72.5	136.9	162.6	-178.6	-105.9	0	0	0	109.2	P110 E114 G235 D259 I260	Y108-P110 HydrophobicContact CD1-CG 4.29Å; Y108-P110 HydrophobicContact CE1-CB 4.43Å; Y108-P110 HydrophobicContact CE1-CG 4.4Å; Y108-E114 HydrophobicContact CE1-CG 4.28Å; Y108-E114 PolarHBondContact OH-OE1 3.21Å; Y108-G235 PolarHBondContact N-O 2.86Å; Y108-G235 WeakPolarHBondContact O-CA 3.33Å; Y108-D259 PolarHBondContact OH-N 3.29Å; Y108-I260 HydrophobicContact CD1-CB 3.97Å; Y108-I260 HydrophobicContact CD1-CD1 4.46Å; Y108-I260 HydrophobicContact CD1-CG1 4.3Å; Y108-I260 HydrophobicContact CD2-CD1 4.21Å; Y108-I260 HydrophobicContact CD2-CG1 4.27Å; Y108-I260 HydrophobicContact CE1-CB 4.03Å; Y108-I260 HydrophobicContact CE1-CG1 4.45Å; Y108-I260 HydrophobicContact CE2-CG1 4.43Å; Y108-I260 HydrophobicContact CG-CB 4.37Å; Y108-I260 HydrophobicContact CG-CD1 4.02Å; Y108-I260 HydrophobicContact CG-CG1 4.22Å
109	K	92.7	Very high	92.5	Very high	138 Å²	138	83.1 Å²	83.1	60%	0.6	42%	0.424	S	S	*	.			trans	-103.7	109.3	174	-65.4	-173.6	-177.3	-176.5	0	108.1	E599	K109-E599 WeakPolarHBondContact CE-OE1 3.17Å; K109-E599 IonicContact NZ-OE1 2.62Å; K109-E599 PolarHBondContact NZ-OE1 3.02Å
110	P	90.7	Very high	91.9	Very high	78 Å²	78	78.8 Å²	78.8	51%	0.506	41%	0.408	S	S	.	.			trans	-60.6	140.4	177.2	-23.9	34.9	0	0	0	112.2	Y108	Y108-P110 HydrophobicContact CD1-CG 4.29Å; Y108-P110 HydrophobicContact CE1-CB 4.43Å; Y108-P110 HydrophobicContact CE1-CG 4.4Å
111	T	93.1	Very high	91.2	Very high	91 Å²	91	78.3 Å²	78.3	56%	0.558	41%	0.407	S	S	*	.			trans	-95.2	-14.6	179.8	63.8	0	0	0	0	113	K113 E114	T111-K113 PolarHBondContact O-N 3.34Å; T111-K113 PolarHBondContact OG1-N 3.02Å; T111-E114 WeakPolarHBondContact CB-OE1 3.48Å; T111-E114 PolarHBondContact N-OE1 2.87Å; T111-E114 PolarHBondContact N-OE2 3.16Å; T111-E114 PolarHBondContact OG1-OE1 2.84Å; T111-E114 PolarHBondContact OG1-OE2 2.79Å
112	G	91.3	Very high	90.3	Very high	74 Å²	74	80.9 Å²	80.9	76%	0.763	42%	0.417	S	S	*	.	S	Bend	trans	75	7	-171.1	0	0	0	0	0	113.3	E114	G112-E114 WeakPolarHBondContact CA-OE2 3.24Å; G112-E114 PolarHBondContact N-OE2 3.2Å
113	K	93.8	Very high	89.1	Confident	184 Å²	184	79 Å²	79	80%	0.8	40%	0.403	S	S	*	.			trans	-120	7	-178.7	-58.4	-176.3	-177.5	-179.2	0	112.5	T111 I115	T111-K113 PolarHBondContact O-N 3.34Å; T111-K113 PolarHBondContact OG1-N 3.02Å; K113-I115 PolarHBondContact O-N 2.87Å
114	E	95.6	Very high	87.4	Confident	21 Å²	21	74.1 Å²	74.1	10%	0.098	38%	0.382	C	S	.	.			trans	-60.2	130.7	-178.8	-74.5	68.8	-156.4	0	0	112.2	Y108 T111 G112 D259 N261	Y108-E114 HydrophobicContact CE1-CG 4.28Å; Y108-E114 PolarHBondContact OH-OE1 3.21Å; T111-E114 WeakPolarHBondContact CB-OE1 3.48Å; T111-E114 PolarHBondContact N-OE1 2.87Å; T111-E114 PolarHBondContact N-OE2 3.16Å; T111-E114 PolarHBondContact OG1-OE1 2.84Å; T111-E114 PolarHBondContact OG1-OE2 2.79Å; G112-E114 WeakPolarHBondContact CA-OE2 3.24Å; G112-E114 PolarHBondContact N-OE2 3.2Å; E114-D259 VanDerWaalsContact CA-OD1 3.25Å; E114-D259 WeakPolarHBondContact CA-OD1 3.4Å; E114-N261 HydrophobicContact CB-CB 3.91Å; E114-N261 WeakPolarHBondContact CB-ND2 3.34Å; E114-N261 PolarHBondContact O-ND2 3.08Å
115	I	91.9	Very high	85.5	Confident	86 Å²	86	77 Å²	77	44%	0.441	40%	0.4	S	S	.	.			trans	-67.1	141.5	-175.8	-66.1	171.5	0	0	0	110.1	K113 P117 D259 T296	K113-I115 PolarHBondContact O-N 2.87Å; I115-P117 HydrophobicContact CG2-CG 4.39Å; I115-P117 WeakPolarHBondContact O-CD 3.48Å; I115-D259 PolarHBondContact N-OD1 2.87Å; I115-T296 WeakPolarHBondContact O-CG2 3.39Å
116	Q	92.8	Very high	83.6	Confident	112 Å²	112	82.2 Å²	82.2	52%	0.523	43%	0.429	S	S	.	.			trans	-113.1	94.6	169.6	-67.6	-175.3	-2.9	0	0	108.9	T118 N261 Y263	Q116-T118 PolarHBondContact O-N 3.37Å; Q116-N261 VanDerWaalsContact CG-ND2 3.31Å; Q116-N261 WeakPolarHBondContact CG-ND2 3.3Å; Q116-N261 PolarHBondContact NE2-ND2 3.3Å; Q116-Y263 HydrophobicContact CB-CD1 4.45Å; Q116-Y263 HydrophobicContact CB-CD2 4.04Å; Q116-Y263 HydrophobicContact CB-CE1 4.35Å; Q116-Y263 HydrophobicContact CB-CE2 3.91Å; Q116-Y263 HydrophobicContact CB-CG 4.31Å; Q116-Y263 HydrophobicContact CG-CD1 3.98Å; Q116-Y263 HydrophobicContact CG-CD2 4.01Å; Q116-Y263 HydrophobicContact CG-CE1 4.32Å; Q116-Y263 HydrophobicContact CG-CE2 4.34Å; Q116-Y263 HydrophobicContact CG-CG 3.82Å
117	P	90.5	Very high	81.6	Confident	25 Å²	25	82 Å²	82	16%	0.162	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-56.7	135.9	176.9	-25.9	32.9	0	0	0	112.7	I115 V119 Y263 T296	I115-P117 HydrophobicContact CG2-CG 4.39Å; I115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-V119 PolarHBondContact O-N 3.44Å; P117-Y263 VanDerWaalsContact CD-OH 3.28Å; P117-Y263 WeakPolarHBondContact CD-OH 3.39Å; P117-Y263 PolarHBondContact O-OH 3.12Å; P117-T296 HydrophobicContact CG-CG2 4.42Å
118	T	85	Confident	79.9	Confident	105 Å²	105	87 Å²	87	64%	0.644	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-70	118.4	167.7	-59.9	0	0	0	0	109	Q116 S120	Q116-T118 PolarHBondContact O-N 3.37Å; T118-S120 PolarHBondContact O-N 3.38Å
119	V	83.1	Confident	78.7	Confident	23 Å²	23	91.1 Å²	91.1	14%	0.139	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-65.6	128.3	173.8	179.3	0	0	0	0	109.6	P117 V223 T265 F277	P117-V119 PolarHBondContact O-N 3.44Å; V119-V223 HydrophobicContact CB-CG1 4.35Å; V119-V223 HydrophobicContact CG1-CB 4.15Å; V119-V223 HydrophobicContact CG1-CG1 3.95Å; V119-V223 HydrophobicContact CG1-CG2 4.39Å; V119-V223 HydrophobicContact CG2-CB 4.01Å; V119-V223 HydrophobicContact CG2-CG1 3.52Å; V119-T265 HydrophobicContact CB-CG2 4.33Å; V119-T265 HydrophobicContact CG2-CG2 3.71Å; V119-F277 HydrophobicContact CG1-CD2 3.72Å; V119-F277 HydrophobicContact CG1-CE1 4.42Å; V119-F277 HydrophobicContact CG1-CE2 3.35Å; V119-F277 HydrophobicContact CG1-CG 4.41Å; V119-F277 HydrophobicContact CG1-CZ 3.76Å
120	S	81.1	Confident	78.4	Confident	25 Å²	25	85.3 Å²	85.3	18%	0.175	47%	0.466	C	S	.	.			trans	-124.7	-19.8	-168.7	60.5	0	0	0	0	113.6	T118 N130 E189	T118-S120 PolarHBondContact O-N 3.38Å; S120-N130 WeakPolarHBondContact CB-ND2 3.45Å; S120-N130 PolarHBondContact OG-ND2 3.04Å; S120-E189 PolarHBondContact N-OE2 3.38Å; S120-E189 PolarHBondContact OG-OE2 3.07Å
121	G	80.5	Confident	78.4	Confident	8 Å²	8	83.9 Å²	83.9	8%	0.082	46%	0.455	C	S	.	.			trans	61.2	-143.2	176.5	0	0	0	0	0	113.2	N130 E189	G121-N130 WeakPolarHBondContact O-CB 3.24Å; G121-N130 PolarHBondContact O-ND2 3.13Å; G121-E189 VanDerWaalsContact CA-OE1 3.23Å; G121-E189 WeakPolarHBondContact CA-OE1 3.28Å; G121-E189 PolarHBondContact N-OE1 2.77Å; G121-E189 PolarHBondContact N-OE2 2.72Å
122	E	75.4	Confident	78.4	Confident	71 Å²	71	80.8 Å²	80.8	33%	0.332	44%	0.436	S	S	.	.	S	Bend	trans	-83.4	-30.8	-178	-65.6	170.7	-173	0	0	112.8	N130 V132 K179 I181	E122-N130 PolarHBondContact O-N 2.87Å; E122-V132 HydrophobicContact CG-CG2 3.81Å; E122-K179 IonicContact OE1-NZ 3.65Å; E122-K179 PolarHBondContact OE1-NZ 2.84Å; E122-I181 HydrophobicContact CG-CD1 3.83Å
123	H	65.4	Low	78.5	Confident	133 Å²	133	77.4 Å²	77.4	62%	0.616	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-119.1	106.5	-176.1	-58.8	-54.5	0	0	0	110.4	N129	H123-N129 PolarHBondContact ND1-OD1 3.05Å
124	N	57.9	Low	78.6	Confident	55 Å²	55	68.7 Å²	68.7	29%	0.294	36%	0.363	S	S	.	.			trans	-80.6	155.2	-179.7	-144.2	-31.9	0	0	0	111	N126 N127 N128 N130	N124-N126 PolarHBondContact O-N 3.42Å; N124-N127 PolarHBondContact O-N 3.43Å; N124-N127 VanDerWaalsContact O-N 3.1Å; N124-N128 WeakPolarHBondContact CB-O 3.12Å; N124-N130 PolarHBondContact ND2-OD1 2.82Å
125	E	52.7	Low	78.6	Confident	157 Å²	157	70.9 Å²	70.9	73%	0.734	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.6	-172	-65.9	-174.6	163.5	0	0	113.6
126	N	56.2	Low	78.7	Confident	137 Å²	137	66.9 Å²	66.9	73%	0.733	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	17.7	178.7	-65.6	-20.5	0	0	0	114.7	N124 N128	N124-N126 PolarHBondContact O-N 3.42Å; N126-N128 PolarHBondContact O-N 2.84Å
127	N	52.1	Low	78.4	Confident	151 Å²	151	65.4 Å²	65.4	81%	0.807	35%	0.346	S	S	*	.	S	Bend	trans	59.7	-7.4	-175.9	-83.9	-15.9	0	0	0	117.4	N124 N129	N124-N127 PolarHBondContact O-N 3.43Å; N124-N127 VanDerWaalsContact O-N 3.1Å; N127-N129 PolarHBondContact O-N 3Å
128	N	61	Low	78.3	Confident	128 Å²	128	64.8 Å²	64.8	68%	0.684	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-67.1	116.4	164.8	-76.2	-14.5	0	0	0	109.2	N124 N126 N130	N124-N128 WeakPolarHBondContact CB-O 3.12Å; N126-N128 PolarHBondContact O-N 2.84Å; N128-N130 PolarHBondContact O-N 2.97Å
129	N	69.8	Low	78.2	Confident	111 Å²	111	66.3 Å²	66.3	59%	0.594	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-68.3	129.5	176.4	-71.7	-43.4	0	0	0	110.4	H123 N127	H123-N129 PolarHBondContact ND1-OD1 3.05Å; N127-N129 PolarHBondContact O-N 3Å
130	N	87	Confident	78	Confident	17 Å²	17	68.1 Å²	68.1	9%	0.091	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-72.8	145.9	169.8	-65.7	-31.5	0	0	0	108.9	S120 G121 E122 N124 N128 V132 I181 T183	S120-N130 WeakPolarHBondContact CB-ND2 3.45Å; S120-N130 PolarHBondContact OG-ND2 3.04Å; G121-N130 WeakPolarHBondContact O-CB 3.24Å; G121-N130 PolarHBondContact O-ND2 3.13Å; E122-N130 PolarHBondContact O-N 2.87Å; N124-N130 PolarHBondContact ND2-OD1 2.82Å; N128-N130 PolarHBondContact O-N 2.97Å; N130-V132 PolarHBondContact O-N 3.14Å; N130-I181 HydrophobicContact CB-CG2 3.57Å; N130-T183 HydrophobicContact CB-CG2 4.32Å
131	T	90.9	Very high	78.1	Confident	47 Å²	47	69.1 Å²	69.1	29%	0.288	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.6	-169.1	-60.2	0	0	0	0	111.3	V133 L160 F165 I181 C182	T131-V133 HydrophobicContact CG2-CG1 4.11Å; T131-V133 PolarHBondContact O-N 2.86Å; T131-L160 HydrophobicContact CG2-CD1 3.37Å; T131-F165 HydrophobicContact CG2-CE1 4.26Å; T131-F165 HydrophobicContact CG2-CE2 4.11Å; T131-F165 HydrophobicContact CG2-CZ 3.81Å; T131-I181 CarbonylContact O-C 3.52Å; T131-I181 WeakPolarHBondContact O-CA 3.05Å; T131-C182 PolarHBondContact N-O 2.84Å; T131-C182 PolarHBondContact O-N 3Å
132	V	92.5	Very high	78.3	Confident	27 Å²	27	77 Å²	77	16%	0.164	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	109.6	171.3	-172.4	0	0	0	0	108.7	E122 N130 Q135 L159 K179 I181	E122-V132 HydrophobicContact CG-CG2 3.81Å; N130-V132 PolarHBondContact O-N 3.14Å; V132-Q135 HydrophobicContact CG1-CB 4.43Å; V132-L159 HydrophobicContact CB-CD1 4.09Å; V132-L159 HydrophobicContact CG1-CD1 3.75Å; V132-K179 HydrophobicContact CG1-CD 4.17Å; V132-K179 HydrophobicContact CG1-CG 3.91Å; V132-I181 HydrophobicContact CG2-CD1 4.48Å; V132-I181 HydrophobicContact CG2-CG1 4.27Å; V132-I181 HydrophobicContact CG2-CG2 4.45Å
133	V	94.4	Very high	79	Confident	3 Å²	3	75.1 Å²	75.1	2%	0.018	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-30.4	-178.1	-63.4	0	0	0	0	112	T131 N158 L159 F165 F168 A180 C182 Y188	T131-V133 HydrophobicContact CG2-CG1 4.11Å; T131-V133 PolarHBondContact O-N 2.86Å; V133-N158 CarbonylContact O-C 3.54Å; V133-N158 VanDerWaalsContact O-CA 3.32Å; V133-N158 WeakPolarHBondContact O-CA 3.24Å; V133-L159 PolarHBondContact O-N 2.87Å; V133-F165 HydrophobicContact CG1-CB 3.83Å; V133-F165 HydrophobicContact CG1-CD1 3.76Å; V133-F165 HydrophobicContact CG1-CD2 4.17Å; V133-F165 HydrophobicContact CG1-CE1 4.37Å; V133-F165 HydrophobicContact CG1-CG 3.65Å; V133-F168 HydrophobicContact CG2-CD2 3.9Å; V133-F168 HydrophobicContact CG2-CE2 3.84Å; V133-A180 HydrophobicContact CG2-CB 3.96Å; V133-A180 WeakPolarHBondContact CG2-O 3.32Å; V133-A180 PolarHBondContact N-O 3.03Å; V133-C182 HydrophobicContact CG1-CB 3.94Å; V133-Y188 HydrophobicContact CG2-CD1 4.23Å; V133-Y188 HydrophobicContact CG2-CE1 4.04Å
134	F	95.5	Very high	80.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.4	178.3	169.4	-91.8	0	0	0	111.7	T157 F168 L177 K179 A180	F134-T157 CarbonylContact C-O 3.55Å; F134-T157 VanDerWaalsContact CA-O 3.24Å; F134-T157 WeakPolarHBondContact CA-O 3.15Å; F134-T157 HydrophobicContact CE2-CG2 4.36Å; F134-F168 HydrophobicContact CB-CB 3.76Å; F134-F168 HydrophobicContact CB-CD2 4.4Å; F134-F168 HydrophobicContact CB-CG 4.41Å; F134-F168 HydrophobicContact CD1-CB 4.19Å; F134-F168 HydrophobicContact CD2-CB 4.02Å; F134-F168 WeakPolarHBondContact CD2-O 3.41Å; F134-F168 WeakPolarHBondContact CE2-O 3.34Å; F134-F168 HydrophobicContact CG-CB 3.74Å; F134-L177 HydrophobicContact CD1-CD2 4Å; F134-L177 HydrophobicContact CD1-CG 4.34Å; F134-L177 HydrophobicContact CE1-CB 4.41Å; F134-L177 HydrophobicContact CE1-CD2 4.03Å; F134-L177 HydrophobicContact CE1-CG 4.09Å; F134-K179 CarbonylContact O-C 3.5Å; F134-K179 VanDerWaalsContact O-CA 3.27Å; F134-K179 WeakPolarHBondContact O-CA 3.38Å; F134-K179 WeakPolarHBondContact O-CG 3.35Å; F134-A180 HydrophobicContact CB-CB 4.14Å; F134-A180 PolarHBondContact N-O 3Å; F134-A180 PolarHBondContact O-N 2.82Å
135	Q	94.9	Very high	81.8	Confident	67 Å²	67	72.6 Å²	72.6	31%	0.313	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	135.6	165.9	-169.7	173.7	0.1	0	0	110.9	V132 E137 T157 S178 K179	V132-Q135 HydrophobicContact CG1-CB 4.43Å; Q135-E137 PolarHBondContact NE2-OE1 2.87Å; Q135-T157 PolarHBondContact N-O 3.41Å; Q135-T157 WeakPolarHBondContact O-CA 3.17Å; Q135-T157 VanDerWaalsContact O-CB 3.32Å; Q135-T157 WeakPolarHBondContact O-CB 3.3Å; Q135-T157 WeakPolarHBondContact O-CG2 3.16Å; Q135-S178 WeakPolarHBondContact CA-O 3.36Å; Q135-K179 HydrophobicContact CB-CG 4.49Å; Q135-K179 HydrophobicContact CG-CG 4.48Å; Q135-K179 VanDerWaalsContact NE2-CE 3.29Å
136	Y	93.6	Very high	83.6	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.008	36%	0.364	C	S	.	.			trans	-144.5	107.4	170.3	172.9	-123.5	0	0	0	110.4	F87 E88 P138 T157 R171 S178	F87-Y136 HydrophobicContact CZ-CE1 4.46Å; E88-Y136 HydrophobicContact CB-CE2 4.05Å; E88-Y136 HydrophobicContact CG-CE2 4.25Å; E88-Y136 PolarHBondContact N-OH 3.12Å; E88-Y136 PolarHBondContact O-OH 3.46Å; Y136-P138 HydrophobicContact CE1-CG 4.32Å; Y136-P138 HydrophobicContact CE2-CB 4.11Å; Y136-P138 HydrophobicContact CE2-CG 4.5Å; Y136-T157 HydrophobicContact CD2-CG2 4.14Å; Y136-T157 HydrophobicContact CG-CG2 4.31Å; Y136-R171 HydrophobicContact CD1-CG 3.56Å; Y136-R171 HydrophobicContact CD2-CG 3.88Å; Y136-R171 HydrophobicContact CE1-CG 3.5Å; Y136-R171 VanDerWaalsContact CE1-CG 3.5Å; Y136-R171 HydrophobicContact CE2-CG 3.83Å; Y136-R171 HydrophobicContact CG-CG 3.75Å; Y136-S178 PolarHBondContact N-O 2.8Å; Y136-S178 PolarHBondContact O-OG 3.32Å
137	E	88	Confident	85.3	Confident	82 Å²	82	62.6 Å²	62.6	38%	0.383	34%	0.342	S	S	.	.			trans	-124.5	98.1	173.4	-76.7	174.6	-120.2	0	0	108.5	Q135 M139 S178	Q135-E137 PolarHBondContact NE2-OE1 2.87Å; E137-M139 PolarHBondContact O-N 3.35Å; E137-S178 WeakPolarHBondContact CG-OG 3.29Å
138	P	87.3	Confident	87.2	Confident	12 Å²	12	57.1 Å²	57.1	8%	0.078	31%	0.311	C	S	.	.			trans	-61.5	139.2	-178.9	23.3	-31.9	0	0	0	110.2	N86 F87 Y136 I140	N86-P138 VanDerWaalsContact O-CB 3.3Å; N86-P138 WeakPolarHBondContact O-CB 3.45Å; F87-P138 HydrophobicContact CD2-CB 4.1Å; F87-P138 HydrophobicContact CD2-CG 3.91Å; F87-P138 HydrophobicContact CE2-CG 4.13Å; Y136-P138 HydrophobicContact CE1-CG 4.32Å; Y136-P138 HydrophobicContact CE2-CB 4.11Å; Y136-P138 HydrophobicContact CE2-CG 4.5Å; P138-I140 HydrophobicContact CB-CG2 4.37Å; P138-I140 HydrophobicContact CG-CG2 4.4Å; P138-I140 PolarHBondContact O-N 2.87Å
139	M	83.1	Confident	88.4	Confident	136 Å²	136	54.2 Å²	54.2	67%	0.67	30%	0.301	S	S	*	.			trans	-73.2	63.7	-176.7	-68.1	-163.4	-176.3	0	0	112.5	N86 E137	N86-M139 HydrophobicContact CB-CB 4.22Å; N86-M139 WeakPolarHBondContact CB-O 3.39Å; N86-M139 PolarHBondContact ND2-O 2.94Å; E137-M139 PolarHBondContact O-N 3.35Å
140	I	79	Confident	88.4	Confident	62 Å²	62	53.1 Å²	53.1	32%	0.318	30%	0.295	S	S	.	.			trans	-74.6	131.1	178.4	56.8	162.8	0	0	0	111.1	P138 L196 Y197	P138-I140 HydrophobicContact CB-CG2 4.37Å; P138-I140 HydrophobicContact CG-CG2 4.4Å; P138-I140 PolarHBondContact O-N 2.87Å; I140-L196 HydrophobicContact CD1-CB 4.23Å; I140-L196 HydrophobicContact CD1-CD2 4.12Å; I140-L196 HydrophobicContact CG2-CD1 4.43Å; I140-Y197 HydrophobicContact CB-CE1 3.84Å; I140-Y197 HydrophobicContact CD1-CD1 4.35Å; I140-Y197 HydrophobicContact CD1-CE1 4.43Å; I140-Y197 HydrophobicContact CG2-CE1 4.36Å
141	G	83.1	Confident	87.6	Confident	45 Å²	45	53.8 Å²	53.8	46%	0.464	31%	0.306	S	S	.	.			trans	-66	178	169.9	0	0	0	0	0	112.3	F143 Y197	G141-F143 PolarHBondContact O-N 3.05Å; G141-Y197 WeakPolarHBondContact O-CD1 3.46Å; G141-Y197 VanDerWaalsContact O-CE1 3.29Å; G141-Y197 WeakPolarHBondContact O-CE1 3.38Å
142	K	84.6	Confident	86.8	Confident	173 Å²	173	54.5 Å²	54.5	75%	0.752	31%	0.31	S	S	*	.	S	Bend	trans	-66.4	-3.7	-179.6	-60.1	-168	178.3	-169.4	0	114.9
143	F	89.3	Confident	86.3	Confident	32 Å²	32	57.1 Å²	57.1	14%	0.14	32%	0.322	C	S	.	.	S	Bend	trans	-167.1	161.6	178.7	42.3	-100.4	0	0	0	108.7	G141 T145 Y197 A681 Y682 Y685	G141-F143 PolarHBondContact O-N 3.05Å; F143-T145 HydrophobicContact CD2-CG2 3.84Å; F143-T145 HydrophobicContact CE2-CG2 3.7Å; F143-Y197 VanDerWaalsContact CA-CD1 3.41Å; F143-Y197 WeakPolarHBondContact O-CE1 3.09Å; F143-A681 HydrophobicContact CB-CB 3.95Å; F143-Y682 HydrophobicContact CD1-CD2 4.37Å; F143-Y682 AromaticContact CD2-CD2 3.71Å; F143-Y682 HydrophobicContact CD2-CD2 3.71Å; F143-Y682 HydrophobicContact CD2-CG 4.45Å; F143-Y682 HydrophobicContact CE1-CD2 4.34Å; F143-Y682 AromaticContact CE2-CD2 3.65Å; F143-Y682 HydrophobicContact CE2-CD2 3.65Å; F143-Y682 HydrophobicContact CE2-CE2 4.24Å; F143-Y682 HydrophobicContact CG-CD2 4.08Å; F143-Y682 AromaticContact CZ-CD2 3.98Å; F143-Y682 HydrophobicContact CZ-CD2 3.98Å; F143-Y682 HydrophobicContact CZ-CE2 4.47Å; F143-Y685 HydrophobicContact CD1-CD1 4.42Å; F143-Y685 HydrophobicContact CD1-CG 4.21Å; F143-Y685 AromaticContact CE1-CD1 3.49Å; F143-Y685 HydrophobicContact CE1-CD1 3.49Å; F143-Y685 VanDerWaalsContact CE1-CD1 3.49Å; F143-Y685 AromaticContact CE1-CD2 3.96Å; F143-Y685 HydrophobicContact CE1-CD2 3.96Å; F143-Y685 AromaticContact CE1-CE1 3.8Å; F143-Y685 HydrophobicContact CE1-CE1 3.8Å; F143-Y685 HydrophobicContact CE1-CE2 4.23Å; F143-Y685 AromaticContact CE1-CG 3.56Å; F143-Y685 HydrophobicContact CE1-CG 3.56Å; F143-Y685 AromaticContact CZ-CD1 4Å; F143-Y685 HydrophobicContact CZ-CD1 4Å; F143-Y685 AromaticContact CZ-CE1 3.97Å; F143-Y685 HydrophobicContact CZ-CE1 3.97Å; F143-Y685 HydrophobicContact CZ-CG 4.49Å
144	F	92.7	Very high	85.4	Confident	36 Å²	36	64 Å²	64	16%	0.158	35%	0.354	C	S	.	.			trans	-61.9	135.4	171.3	179.8	-99	0	0	0	112	P84 A146 Y197 L347 A348 L471	P84-F144 HydrophobicContact CB-CE2 4.48Å; F144-A146 WeakPolarHBondContact CE2-O 3.35Å; F144-A146 VanDerWaalsContact CZ-C 3.48Å; F144-Y197 HydrophobicContact CB-CD2 4.33Å; F144-Y197 HydrophobicContact CB-CE2 3.7Å; F144-Y197 HydrophobicContact CD2-CE2 4.4Å; F144-L347 HydrophobicContact CD1-CB 4.11Å; F144-L347 HydrophobicContact CE1-CB 4.17Å; F144-L347 WeakPolarHBondContact CE1-O 3.45Å; F144-L347 WeakPolarHBondContact CZ-O 3.35Å; F144-A348 HydrophobicContact CE2-CB 4.42Å; F144-A348 HydrophobicContact CZ-CB 4.33Å; F144-L471 HydrophobicContact CB-CB 4.09Å; F144-L471 WeakPolarHBondContact CB-O 3.33Å; F144-L471 HydrophobicContact CD2-CB 4.19Å; F144-L471 HydrophobicContact CD2-CD1 3.72Å; F144-L471 HydrophobicContact CE2-CD1 3.85Å; F144-L471 HydrophobicContact CG-CB 4.18Å; F144-L471 HydrophobicContact CG-CD1 4.42Å
145	T	89.3	Confident	84.4	Confident	99 Å²	99	67.9 Å²	67.9	61%	0.607	37%	0.373	S	S	*	.			trans	-122.3	-50.3	-176	45.9	0	0	0	0	112.9	F143	F143-T145 HydrophobicContact CD2-CG2 3.84Å; F143-T145 HydrophobicContact CE2-CG2 3.7Å
146	A	91.2	Very high	83.7	Confident	44 Å²	44	69.5 Å²	69.5	36%	0.364	39%	0.391	S	S	.	.			trans	-157.4	159.1	-177.2	0	0	0	0	0	110.7	L85 F144	L85-A146 PolarHBondContact N-O 3.21Å; L85-A146 VanDerWaalsContact N-O 3.14Å; F144-A146 WeakPolarHBondContact CE2-O 3.35Å; F144-A146 VanDerWaalsContact CZ-C 3.48Å
147	S	92.5	Very high	83.2	Confident	41 Å²	41	69.5 Å²	69.5	29%	0.287	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.3	173.3	48.2	0	0	0	0	112.7	L83 A348	L83-S147 CarbonylContact O-C 3.55Å; L83-S147 WeakPolarHBondContact O-CA 3.39Å; L83-S147 WeakPolarHBondContact O-CB 2.94Å; S147-A348 WeakPolarHBondContact CB-O 3.46Å; S147-A348 PolarHBondContact OG-O 2.91Å
148	K	91.2	Very high	82.9	Confident	36 Å²	36	67.5 Å²	67.5	16%	0.157	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	164.3	163.3	64.9	177.5	175.9	-170	0	110.5	K82 L83 L85 F87 T152 E154	K82-K148 WeakPolarHBondContact CA-O 3.46Å; L83-K148 HydrophobicContact CB-CG 4.34Å; L83-K148 PolarHBondContact N-O 2.85Å; L83-K148 PolarHBondContact O-N 3.27Å; L85-K148 HydrophobicContact CD1-CB 4.3Å; L85-K148 VanDerWaalsContact O-CD 3.29Å; L85-K148 WeakPolarHBondContact O-CD 3.41Å; L85-K148 WeakPolarHBondContact O-CE 3.35Å; L85-K148 PolarHBondContact O-NZ 2.89Å; F87-K148 WeakPolarHBondContact O-CE 3.41Å; F87-K148 PolarHBondContact O-NZ 3.15Å; K148-T152 PolarHBondContact NZ-OG1 3.43Å; K148-E154 IonicContact NZ-OE1 2.65Å
149	S	86.1	Confident	82.5	Confident	67 Å²	67	71.2 Å²	71.2	47%	0.469	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140	168.6	-48.2	0	0	0	0	108.3	K82	K82-S149 PolarHBondContact NZ-OG 3.24Å
150	N	70.6	Confident	82.1	Confident	88 Å²	88	68.7 Å²	68.7	47%	0.471	39%	0.391	S	S	.	.	S	Bend	trans	67.1	160.2	179.2	-47.8	1.8	0	0	0	113.8	I81	I81-N150 PolarHBondContact O-N 3.09Å
151	G	69.6	Low	81.8	Confident	30 Å²	30	72.6 Å²	72.6	31%	0.309	41%	0.412	S	S	.	.			trans	-80.9	145.9	174	0	0	0	0	0	112.6
152	T	74.6	Confident	81.7	Confident	63 Å²	63	73.8 Å²	73.8	39%	0.387	41%	0.408	S	S	.	.			trans	-125.6	146.3	157.4	48	0	0	0	0	107.8	E88 K148 E154	E88-T152 WeakPolarHBondContact CA-O 3.48Å; E88-T152 WeakPolarHBondContact CB-O 3.26Å; K148-T152 PolarHBondContact NZ-OG1 3.43Å; T152-E154 WeakPolarHBondContact CB-OE1 3.46Å; T152-E154 PolarHBondContact OG1-OE1 3.3Å
153	I	81.2	Confident	81.7	Confident	82 Å²	82	70 Å²	70	42%	0.421	40%	0.403	S	S	.	.			trans	-101.8	125.8	163.1	-64.2	174.7	0	0	0	106.2	I90	I90-I153 HydrophobicContact CB-CD1 4.22Å; I90-I153 HydrophobicContact CG2-CD1 3.89Å; I90-I153 HydrophobicContact CG2-CG1 4.46Å
154	E	77	Confident	81.6	Confident	147 Å²	147	75.7 Å²	75.7	69%	0.687	43%	0.428	S	S	*	.			trans	-121.6	-26.4	174.3	-70.2	151.1	-129.9	0	0	110.6	E88 K148 T152	E88-E154 WeakPolarHBondContact OE1-CA 3.41Å; E88-E154 PolarHBondContact OE1-N 3.02Å; K148-E154 IonicContact NZ-OE1 2.65Å; T152-E154 WeakPolarHBondContact CB-OE1 3.46Å; T152-E154 PolarHBondContact OG1-OE1 3.3Å
155	Q	73.6	Confident	81.6	Confident	82 Å²	82	74.9 Å²	74.9	38%	0.383	42%	0.424	S	S	.	.	S	Bend	trans	-106.3	143.9	-176.8	-59.5	176.4	17	0	0	112.7	E88 R171	E88-Q155 PolarHBondContact OE1-N 3.01Å; Q155-R171 PolarHBondContact O-NH1 3.14Å
156	S	80	Confident	81.9	Confident	100 Å²	100	70.3 Å²	70.3	70%	0.699	40%	0.396	S	S	*	.			trans	-82.3	126.5	160.5	-171.9	0	0	0	0	109.4	N158	S156-N158 PolarHBondContact OG-O 3.14Å
157	T	83.3	Confident	82.2	Confident	2 Å²	2	71 Å²	71	1%	0.012	39%	0.391	C	S	.	.			trans	-103.3	-22.4	-177.7	51.9	0	0	0	0	113.4	F134 Q135 Y136 R171	F134-T157 CarbonylContact C-O 3.55Å; F134-T157 VanDerWaalsContact CA-O 3.24Å; F134-T157 WeakPolarHBondContact CA-O 3.15Å; F134-T157 HydrophobicContact CE2-CG2 4.36Å; Q135-T157 PolarHBondContact N-O 3.41Å; Q135-T157 WeakPolarHBondContact O-CA 3.17Å; Q135-T157 VanDerWaalsContact O-CB 3.32Å; Q135-T157 WeakPolarHBondContact O-CB 3.3Å; Q135-T157 WeakPolarHBondContact O-CG2 3.16Å; Y136-T157 HydrophobicContact CD2-CG2 4.14Å; Y136-T157 HydrophobicContact CG-CG2 4.31Å; T157-R171 PolarHBondContact OG1-NH2 3.25Å; T157-R171 VanDerWaalsContact OG1-NH2 3.13Å
158	N	80.6	Confident	82.4	Confident	40 Å²	40	69 Å²	69	21%	0.214	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-90.9	110.5	172.3	-73.3	-103.7	0	0	0	107.3	V133 S156 L160 K167 F168	V133-N158 CarbonylContact O-C 3.54Å; V133-N158 VanDerWaalsContact O-CA 3.32Å; V133-N158 WeakPolarHBondContact O-CA 3.24Å; S156-N158 PolarHBondContact OG-O 3.14Å; N158-L160 VanDerWaalsContact C-N 3.35Å; N158-L160 PolarHBondContact O-N 3Å; N158-K167 WeakPolarHBondContact OD1-CA 3.38Å; N158-F168 PolarHBondContact ND2-O 3.35Å; N158-F168 PolarHBondContact OD1-N 3.19Å; N158-F168 PolarHBondContact OD1-O 3.03Å
159	L	79.3	Confident	82.6	Confident	91 Å²	91	67.7 Å²	67.7	48%	0.476	37%	0.372	S	S	.	.	S	Bend	trans	-80.3	-18.1	-165.7	-57.9	-178.3	0	0	0	113.3	V132 V133	V132-L159 HydrophobicContact CB-CD1 4.09Å; V132-L159 HydrophobicContact CG1-CD1 3.75Å; V133-L159 PolarHBondContact O-N 2.87Å
160	L	75.2	Confident	83.1	Confident	82 Å²	82	64.5 Å²	64.5	43%	0.429	35%	0.349	S	S	.	.			trans	-133.4	130.8	177.1	-65.3	171.9	0	0	0	109.1	T131 N158 D162 F165	T131-L160 HydrophobicContact CG2-CD1 3.37Å; N158-L160 VanDerWaalsContact C-N 3.35Å; N158-L160 PolarHBondContact O-N 3Å; L160-D162 VanDerWaalsContact C-N 3.31Å; L160-D162 PolarHBondContact O-N 3.02Å; L160-F165 HydrophobicContact CB-CD2 4.44Å; L160-F165 HydrophobicContact CD1-CD2 4.4Å; L160-F165 HydrophobicContact CD1-CE2 3.9Å
161	N	72.8	Confident	84.3	Confident	145 Å²	145	61 Å²	61	78%	0.775	33%	0.329	S	S	*	.			trans	-97.7	35	177.5	-164.6	29.6	0	0	0	112.2	K167	N161-K167 PolarHBondContact OD1-NZ 2.95Å
162	D	81.6	Confident	85.5	Confident	69 Å²	69	59.7 Å²	59.7	37%	0.369	32%	0.315	S	S	.	.			trans	-82.4	134.5	177.9	176.2	-0.8	0	0	0	110.1	L160 K164 F165	L160-D162 VanDerWaalsContact C-N 3.31Å; L160-D162 PolarHBondContact O-N 3.02Å; D162-K164 PolarHBondContact O-N 3.01Å; D162-K164 VanDerWaalsContact OD1-CB 3.24Å; D162-K164 WeakPolarHBondContact OD1-CB 3.31Å; D162-K164 PolarHBondContact OD1-N 2.87Å; D162-F165 HydrophobicContact CB-CD2 3.88Å; D162-F165 HydrophobicContact CB-CE2 4.12Å; D162-F165 PolarHBondContact O-N 2.57Å
163	S	83.2	Confident	86.5	Confident	94 Å²	94	57.3 Å²	57.3	66%	0.657	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12	176.9	48.2	0	0	0	0	114.1	F165 N211	S163-F165 VanDerWaalsContact C-N 3.34Å; S163-N211 PolarHBondContact O-ND2 2.81Å
164	K	87.7	Confident	87.2	Confident	151 Å²	151	53.5 Å²	53.5	66%	0.657	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.6	174	-174.7	179.6	176.4	-177.5	0	113.9	D162	D162-K164 PolarHBondContact O-N 3.01Å; D162-K164 VanDerWaalsContact OD1-CB 3.24Å; D162-K164 WeakPolarHBondContact OD1-CB 3.31Å; D162-K164 PolarHBondContact OD1-N 2.87Å
165	F	93.9	Very high	88.2	Confident	19 Å²	19	46.5 Å²	46.5	8%	0.083	25%	0.248	C	C	.	.	S	Bend	trans	-103.9	145	-171.5	-60.6	-60.9	0	0	0	113.1	T131 V133 L160 D162 S163 C182 N211	T131-F165 HydrophobicContact CG2-CE1 4.26Å; T131-F165 HydrophobicContact CG2-CE2 4.11Å; T131-F165 HydrophobicContact CG2-CZ 3.81Å; V133-F165 HydrophobicContact CG1-CB 3.83Å; V133-F165 HydrophobicContact CG1-CD1 3.76Å; V133-F165 HydrophobicContact CG1-CD2 4.17Å; V133-F165 HydrophobicContact CG1-CE1 4.37Å; V133-F165 HydrophobicContact CG1-CG 3.65Å; L160-F165 HydrophobicContact CB-CD2 4.44Å; L160-F165 HydrophobicContact CD1-CD2 4.4Å; L160-F165 HydrophobicContact CD1-CE2 3.9Å; D162-F165 HydrophobicContact CB-CD2 3.88Å; D162-F165 HydrophobicContact CB-CE2 4.12Å; D162-F165 PolarHBondContact O-N 2.57Å; S163-F165 VanDerWaalsContact C-N 3.34Å; F165-C182 HydrophobicContact CD1-CB 4.05Å; F165-C182 HydrophobicContact CE1-CB 4.03Å; F165-N211 PolarHBondContact O-ND2 3.03Å
166	L	95.8	Very high	89.3	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-64.6	133.1	165.7	-65.7	179.8	0	0	0	109.6	F168 Y188 V209 N211 Y218 F220 F301	L166-F168 HydrophobicContact CB-CD2 4.44Å; L166-F168 HydrophobicContact CB-CE2 3.71Å; L166-F168 HydrophobicContact CB-CZ 4.11Å; L166-F168 HydrophobicContact CD1-CZ 4.38Å; L166-F168 VanDerWaalsContact O-CD2 3.3Å; L166-F168 WeakPolarHBondContact O-CD2 3.31Å; L166-F168 WeakPolarHBondContact O-CE2 3.45Å; L166-Y188 HydrophobicContact CB-CE1 4.12Å; L166-Y188 HydrophobicContact CB-CE2 4.49Å; L166-Y188 HydrophobicContact CD1-CD2 4.08Å; L166-Y188 HydrophobicContact CD1-CE2 3.69Å; L166-Y188 HydrophobicContact CG-CE2 4.02Å; L166-Y188 PolarHBondContact N-OH 3.44Å; L166-Y188 VanDerWaalsContact N-OH 3.09Å; L166-V209 HydrophobicContact CB-CG1 4.03Å; L166-V209 HydrophobicContact CD1-CG1 4.07Å; L166-V209 HydrophobicContact CD2-CG1 4.18Å; L166-V209 HydrophobicContact CG-CG1 4.34Å; L166-N211 WeakPolarHBondContact CD2-O 3.22Å; L166-Y218 HydrophobicContact CD1-CD1 3.69Å; L166-Y218 HydrophobicContact CD1-CE1 3.75Å; L166-Y218 HydrophobicContact CD1-CG 4.48Å; L166-Y218 HydrophobicContact CD2-CE1 4.02Å; L166-Y218 HydrophobicContact CG-CD1 4.38Å; L166-Y218 HydrophobicContact CG-CE1 3.93Å; L166-F220 HydrophobicContact CD1-CE1 3.67Å; L166-F220 HydrophobicContact CD1-CZ 3.79Å; L166-F301 HydrophobicContact CD1-CE2 4.06Å; L166-F301 HydrophobicContact CD1-CZ 4Å; L166-F301 HydrophobicContact CD2-CE2 3.86Å; L166-F301 HydrophobicContact CD2-CZ 4.05Å
167	K	95.7	Very high	90.2	Very high	58 Å²	58	38 Å²	38	25%	0.252	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.6	178.4	-62.9	-176.9	-176.2	-177.9	0	109.4	N158 N161 V209 Q210 N211	N158-K167 WeakPolarHBondContact OD1-CA 3.38Å; N161-K167 PolarHBondContact OD1-NZ 2.95Å; K167-V209 CarbonylContact O-C 3.58Å; K167-V209 VanDerWaalsContact O-CA 3.31Å; K167-V209 WeakPolarHBondContact O-CA 3.41Å; K167-Q210 HydrophobicContact CB-CB 4.36Å; K167-Q210 PolarHBondContact N-O 2.89Å; K167-Q210 PolarHBondContact O-N 3.33Å; K167-N211 HydrophobicContact CD-CB 4.47Å; K167-N211 HydrophobicContact CG-CB 4.24Å
168	F	96.9	Very high	90.8	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	152.7	-175	-65.2	-101.6	0	0	0	111.4	V133 F134 N158 L166 L177 A180 Y188 L190 F207 R208 V209 F220	V133-F168 HydrophobicContact CG2-CD2 3.9Å; V133-F168 HydrophobicContact CG2-CE2 3.84Å; F134-F168 HydrophobicContact CB-CB 3.76Å; F134-F168 HydrophobicContact CB-CD2 4.4Å; F134-F168 HydrophobicContact CB-CG 4.41Å; F134-F168 HydrophobicContact CD1-CB 4.19Å; F134-F168 HydrophobicContact CD2-CB 4.02Å; F134-F168 WeakPolarHBondContact CD2-O 3.41Å; F134-F168 WeakPolarHBondContact CE2-O 3.34Å; F134-F168 HydrophobicContact CG-CB 3.74Å; N158-F168 PolarHBondContact ND2-O 3.35Å; N158-F168 PolarHBondContact OD1-N 3.19Å; N158-F168 PolarHBondContact OD1-O 3.03Å; L166-F168 HydrophobicContact CB-CD2 4.44Å; L166-F168 HydrophobicContact CB-CE2 3.71Å; L166-F168 HydrophobicContact CB-CZ 4.11Å; L166-F168 HydrophobicContact CD1-CZ 4.38Å; L166-F168 VanDerWaalsContact O-CD2 3.3Å; L166-F168 WeakPolarHBondContact O-CD2 3.31Å; L166-F168 WeakPolarHBondContact O-CE2 3.45Å; F168-L177 HydrophobicContact CB-CD2 4.15Å; F168-L177 HydrophobicContact CD1-CD2 3.8Å; F168-L177 HydrophobicContact CG-CD2 4.28Å; F168-A180 HydrophobicContact CD1-CB 4.2Å; F168-A180 HydrophobicContact CD2-CB 3.79Å; F168-A180 HydrophobicContact CE1-CB 4.26Å; F168-A180 HydrophobicContact CE2-CB 3.86Å; F168-A180 HydrophobicContact CG-CB 3.98Å; F168-A180 HydrophobicContact CZ-CB 4.1Å; F168-Y188 AromaticContact CE2-CD1 3.68Å; F168-Y188 HydrophobicContact CE2-CD1 3.68Å; F168-Y188 AromaticContact CE2-CE1 3.83Å; F168-Y188 HydrophobicContact CE2-CE1 3.83Å; F168-Y188 HydrophobicContact CE2-CG 4.48Å; F168-Y188 AromaticContact CZ-CD1 3.75Å; F168-Y188 HydrophobicContact CZ-CD1 3.75Å; F168-Y188 HydrophobicContact CZ-CE1 4.25Å; F168-Y188 HydrophobicContact CZ-CG 4.12Å; F168-L190 HydrophobicContact CE1-CD2 3.88Å; F168-L190 HydrophobicContact CZ-CD2 4.18Å; F168-F207 HydrophobicContact CD1-CD2 4.07Å; F168-F207 HydrophobicContact CD1-CE2 4.24Å; F168-F207 HydrophobicContact CE1-CD2 4.44Å; F168-F207 HydrophobicContact CE1-CE2 4.14Å; F168-R208 WeakPolarHBondContact CA-O 3.1Å; F168-V209 HydrophobicContact CD1-CG2 3.93Å; F168-V209 HydrophobicContact CE1-CG2 3.89Å; F168-F220 HydrophobicContact CE1-CZ 4.15Å; F168-F220 HydrophobicContact CZ-CE1 4.23Å; F168-F220 HydrophobicContact CZ-CZ 4.2Å
169	E	96.3	Very high	91.5	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.033	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148	169.9	-175.6	55.3	-87.2	0	0	111.1	I90 R171 F172 F207 R208	I90-E169 HydrophobicContact CG2-CG 4.14Å; E169-R171 VanDerWaalsContact OE1-CB 3.29Å; E169-R171 WeakPolarHBondContact OE1-CB 3.3Å; E169-R171 VanDerWaalsContact OE1-CG 3.3Å; E169-R171 WeakPolarHBondContact OE1-CG 3.41Å; E169-R171 PolarHBondContact OE1-N 3.23Å; E169-R171 IonicContact OE1-NE 2.68Å; E169-R171 PolarHBondContact OE1-NE 2.91Å; E169-R171 VanDerWaalsContact OE1-NE 3.1Å; E169-R171 IonicContact OE2-CZ 3.25Å; E169-R171 VanDerWaalsContact OE2-CZ 3.28Å; E169-R171 IonicContact OE2-NE 3.87Å; E169-R171 PolarHBondContact OE2-NE 3.18Å; E169-R171 IonicContact OE2-NH2 2.71Å; E169-R171 PolarHBondContact OE2-NH2 3.19Å; E169-F172 HydrophobicContact CB-CE1 4.49Å; E169-F172 HydrophobicContact CG-CD1 4.25Å; E169-F172 HydrophobicContact CG-CE1 4.34Å; E169-F172 VanDerWaalsContact O-CE1 3.27Å; E169-F172 WeakPolarHBondContact O-CE1 3.39Å; E169-F207 WeakPolarHBondContact O-CA 3.37Å; E169-R208 HydrophobicContact CB-CB 4.23Å; E169-R208 PolarHBondContact N-O 3.4Å; E169-R208 PolarHBondContact O-N 3.32Å
170	S	96.9	Very high	92.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.			trans	-144.6	0.1	176.9	75.7	0	0	0	0	114.5	F172 G175 L177	S170-F172 PolarHBondContact O-N 2.86Å; S170-G175 CarbonylContact O-C 3.53Å; S170-G175 WeakPolarHBondContact O-CA 3.41Å; S170-L177 WeakPolarHBondContact CB-O 3.47Å; S170-L177 PolarHBondContact OG-O 3.31Å
171	R	95.5	Very high	93.3	Very high	14 Å²	14	29 Å²	29	5%	0.053	15%	0.15	C	C	.	.			trans	-75.5	59.4	176.5	-66.2	176.5	-64.4	176.3	3.2	111.6	E88 L89 I90 Y136 Q155 T157 E169	E88-R171 HydrophobicContact CB-CG 4.28Å; E88-R171 WeakPolarHBondContact OE2-CD 3.32Å; E88-R171 IonicContact OE2-CZ 3.77Å; E88-R171 IonicContact OE2-NE 2.63Å; E88-R171 IonicContact OE2-NH1 3.01Å; E88-R171 PolarHBondContact OE2-NH1 3.24Å; L89-R171 CarbonylContact C-O 3.55Å; L89-R171 VanDerWaalsContact CA-O 3.3Å; L89-R171 WeakPolarHBondContact CA-O 3.41Å; I90-R171 HydrophobicContact CG2-CB 4.06Å; I90-R171 WeakPolarHBondContact CG2-O 3.07Å; I90-R171 PolarHBondContact N-O 3.49Å; Y136-R171 HydrophobicContact CD1-CG 3.56Å; Y136-R171 HydrophobicContact CD2-CG 3.88Å; Y136-R171 HydrophobicContact CE1-CG 3.5Å; Y136-R171 VanDerWaalsContact CE1-CG 3.5Å; Y136-R171 HydrophobicContact CE2-CG 3.83Å; Y136-R171 HydrophobicContact CG-CG 3.75Å; Q155-R171 PolarHBondContact O-NH1 3.14Å; T157-R171 PolarHBondContact OG1-NH2 3.25Å; T157-R171 VanDerWaalsContact OG1-NH2 3.13Å; E169-R171 VanDerWaalsContact OE1-CB 3.29Å; E169-R171 WeakPolarHBondContact OE1-CB 3.3Å; E169-R171 VanDerWaalsContact OE1-CG 3.3Å; E169-R171 WeakPolarHBondContact OE1-CG 3.41Å; E169-R171 PolarHBondContact OE1-N 3.23Å; E169-R171 IonicContact OE1-NE 2.68Å; E169-R171 PolarHBondContact OE1-NE 2.91Å; E169-R171 VanDerWaalsContact OE1-NE 3.1Å; E169-R171 IonicContact OE2-CZ 3.25Å; E169-R171 VanDerWaalsContact OE2-CZ 3.28Å; E169-R171 IonicContact OE2-NE 3.87Å; E169-R171 PolarHBondContact OE2-NE 3.18Å; E169-R171 IonicContact OE2-NH2 2.71Å; E169-R171 PolarHBondContact OE2-NH2 3.19Å
172	F	94.9	Very high	94.3	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.018	12%	0.117	C	C	.	.	S	Bend	trans	-144.5	173.2	177.2	47	-106.2	0	0	0	110.7	I90 I94 E169 S170 S174 G175 Y206 R208 Y309	I90-F172 HydrophobicContact CD1-CB 4.22Å; I90-F172 HydrophobicContact CD1-CD1 4.19Å; I90-F172 HydrophobicContact CG1-CB 4.22Å; I94-F172 HydrophobicContact CD1-CB 3.57Å; I94-F172 HydrophobicContact CD1-CD1 3.47Å; I94-F172 VanDerWaalsContact CD1-CD1 3.47Å; I94-F172 HydrophobicContact CD1-CD2 3.48Å; I94-F172 VanDerWaalsContact CD1-CD2 3.48Å; I94-F172 HydrophobicContact CD1-CE1 3.85Å; I94-F172 HydrophobicContact CD1-CE2 3.88Å; I94-F172 HydrophobicContact CD1-CG 3.23Å; I94-F172 HydrophobicContact CD1-CZ 4.02Å; E169-F172 HydrophobicContact CB-CE1 4.49Å; E169-F172 HydrophobicContact CG-CD1 4.25Å; E169-F172 HydrophobicContact CG-CE1 4.34Å; E169-F172 VanDerWaalsContact O-CE1 3.27Å; E169-F172 WeakPolarHBondContact O-CE1 3.39Å; S170-F172 PolarHBondContact O-N 2.86Å; F172-S174 PolarHBondContact O-N 3.05Å; F172-G175 WeakPolarHBondContact O-CA 3.42Å; F172-G175 PolarHBondContact O-N 3.35Å; F172-Y206 HydrophobicContact CD2-CD1 4.29Å; F172-Y206 AromaticContact CD2-CE1 3.91Å; F172-Y206 HydrophobicContact CD2-CE1 3.91Å; F172-Y206 AromaticContact CE2-CD1 3.77Å; F172-Y206 HydrophobicContact CE2-CD1 3.77Å; F172-Y206 HydrophobicContact CE2-CD2 4Å; F172-Y206 AromaticContact CE2-CE1 3.59Å; F172-Y206 HydrophobicContact CE2-CE1 3.59Å; F172-Y206 AromaticContact CE2-CE2 3.83Å; F172-Y206 HydrophobicContact CE2-CE2 3.83Å; F172-Y206 AromaticContact CE2-CG 3.95Å; F172-Y206 HydrophobicContact CE2-CG 3.95Å; F172-Y206 AromaticContact CE2-CZ 3.61Å; F172-Y206 HydrophobicContact CZ-CE2 4.38Å; F172-R208 HydrophobicContact CE1-CB 3.78Å; F172-R208 HydrophobicContact CZ-CB 4.15Å; F172-Y309 HydrophobicContact CZ-CD1 4.23Å; F172-Y309 HydrophobicContact CZ-CE1 4.42Å
173	E	94.7	Very high	94.9	Very high	13 Å²	13	21.4 Å²	21.4	6%	0.061	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	127.7	-173.4	-157.4	-175.1	164.8	0	0	110.9	R93 G175 Y206 T317 Y318 T319 I463	R93-E173 IonicContact CZ-OE2 2.84Å; R93-E173 IonicContact NH1-OE2 2.72Å; R93-E173 PolarHBondContact NH1-OE2 3Å; E173-G175 PolarHBondContact O-N 3.29Å; E173-Y206 WeakPolarHBondContact O-CE1 3.44Å; E173-T317 HydrophobicContact CB-CG2 4.09Å; E173-T317 VanDerWaalsContact CD-CB 3.46Å; E173-T317 HydrophobicContact CG-CG2 4.19Å; E173-Y318 WeakPolarHBondContact OE1-CA 3.22Å; E173-Y318 WeakPolarHBondContact OE1-CB 3.23Å; E173-Y318 PolarHBondContact OE1-N 3.17Å; E173-T319 VanDerWaalsContact CD-OG1 3.25Å; E173-T319 PolarHBondContact OE1-N 3.34Å; E173-T319 PolarHBondContact OE1-OG1 3.44Å; E173-T319 WeakPolarHBondContact OE2-CB 3.37Å; E173-T319 PolarHBondContact OE2-OG1 3.34Å; E173-I463 HydrophobicContact CG-CB 4.48Å; E173-I463 HydrophobicContact CG-CG1 4.38Å; E173-I463 HydrophobicContact CG-CG2 4.43Å
174	S	96.9	Very high	95.3	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.014	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	5.3	-168.4	-54.3	0	0	0	0	116.1	F172 W204 Y206 V462 I463 G465	F172-S174 PolarHBondContact O-N 3.05Å; S174-W204 PolarHBondContact O-NE1 2.99Å; S174-Y206 WeakPolarHBondContact O-CD1 3.36Å; S174-V462 WeakPolarHBondContact CA-O 3.47Å; S174-V462 WeakPolarHBondContact CB-O 3.5Å; S174-V462 PolarHBondContact N-O 3.22Å; S174-V462 WeakPolarHBondContact OG-CG1 3.37Å; S174-V462 PolarHBondContact OG-O 3.27Å; S174-I463 PolarHBondContact N-O 2.93Å; S174-G465 WeakPolarHBondContact O-CA 3.42Å
175	G	97.5	Very high	95.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.			trans	-69.5	131.7	-178.5	0	0	0	0	0	113.5	S170 F172 E173 R193 Y206	S170-G175 CarbonylContact O-C 3.53Å; S170-G175 WeakPolarHBondContact O-CA 3.41Å; F172-G175 WeakPolarHBondContact O-CA 3.42Å; F172-G175 PolarHBondContact O-N 3.35Å; E173-G175 PolarHBondContact O-N 3.29Å; G175-R193 PolarHBondContact O-NH2 3.42Å; G175-Y206 CarbonylContact C-O 3.39Å; G175-Y206 WeakPolarHBondContact CA-O 3.44Å
176	N	97.9	Very high	95.4	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-144.6	107.4	176	-168.2	-26.6	0	0	0	111.9	R193 Y206 G465	N176-R193 PolarHBondContact ND2-O 3.03Å; N176-R193 WeakPolarHBondContact OD1-CB 3.37Å; N176-R193 PolarHBondContact OD1-N 3.13Å; N176-Y206 PolarHBondContact N-O 3.17Å; N176-Y206 PolarHBondContact O-N 3.34Å; N176-G465 WeakPolarHBondContact CB-O 3.46Å; N176-G465 PolarHBondContact ND2-O 3.02Å
177	L	97.7	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.			trans	-155.4	138.3	158	177	72	0	0	0	105.7	F134 F168 S170 A180 L190 Y191 L192 F207	F134-L177 HydrophobicContact CD1-CD2 4Å; F134-L177 HydrophobicContact CD1-CG 4.34Å; F134-L177 HydrophobicContact CE1-CB 4.41Å; F134-L177 HydrophobicContact CE1-CD2 4.03Å; F134-L177 HydrophobicContact CE1-CG 4.09Å; F168-L177 HydrophobicContact CB-CD2 4.15Å; F168-L177 HydrophobicContact CD1-CD2 3.8Å; F168-L177 HydrophobicContact CG-CD2 4.28Å; S170-L177 WeakPolarHBondContact CB-O 3.47Å; S170-L177 PolarHBondContact OG-O 3.31Å; L177-A180 HydrophobicContact CD2-CB 4.46Å; L177-L190 HydrophobicContact CD1-CB 3.95Å; L177-L190 HydrophobicContact CD1-CD2 4.3Å; L177-Y191 WeakPolarHBondContact CD1-O 3.44Å; L177-L192 HydrophobicContact CD1-CD2 4.5Å; L177-F207 HydrophobicContact CB-CB 3.76Å; L177-F207 HydrophobicContact CB-CD1 4.27Å; L177-F207 HydrophobicContact CB-CG 4.19Å; L177-F207 HydrophobicContact CD2-CB 4.03Å; L177-F207 HydrophobicContact CD2-CD2 4.18Å; L177-F207 HydrophobicContact CD2-CG 4.01Å
178	S	96	Very high	95.5	Very high	7 Å²	7	19.4 Å²	19.4	5%	0.049	11%	0.106	C	C	.	.			trans	-105.5	-33.7	-176.6	-147	0	0	0	0	113	Q135 Y136 E137 Y191	Q135-S178 WeakPolarHBondContact CA-O 3.36Å; Y136-S178 PolarHBondContact N-O 2.8Å; Y136-S178 PolarHBondContact O-OG 3.32Å; E137-S178 WeakPolarHBondContact CG-OG 3.29Å; S178-Y191 WeakPolarHBondContact CA-O 3.16Å; S178-Y191 WeakPolarHBondContact CB-O 3.28Å; S178-Y191 PolarHBondContact N-O 3.04Å
179	K	95.8	Very high	95.5	Very high	20 Å²	20	19.8 Å²	19.8	9%	0.087	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	145.9	-179.9	-169.7	175.1	-69.1	-178.2	0	110.9	E122 V132 F134 Q135 I181 Y191	E122-K179 IonicContact OE1-NZ 3.65Å; E122-K179 PolarHBondContact OE1-NZ 2.84Å; V132-K179 HydrophobicContact CG1-CD 4.17Å; V132-K179 HydrophobicContact CG1-CG 3.91Å; F134-K179 CarbonylContact O-C 3.5Å; F134-K179 VanDerWaalsContact O-CA 3.27Å; F134-K179 WeakPolarHBondContact O-CA 3.38Å; F134-K179 WeakPolarHBondContact O-CG 3.35Å; Q135-K179 HydrophobicContact CB-CG 4.49Å; Q135-K179 HydrophobicContact CG-CG 4.48Å; Q135-K179 VanDerWaalsContact NE2-CE 3.29Å; K179-I181 HydrophobicContact CD-CD1 4.05Å; K179-I181 HydrophobicContact CD-CG1 4.06Å; K179-I181 HydrophobicContact CG-CG1 4.05Å; K179-Y191 HydrophobicContact CB-CD2 4.2Å; K179-Y191 HydrophobicContact CB-CG 4.44Å; K179-Y191 PolarHBondContact N-O 2.94Å; K179-Y191 PolarHBondContact O-N 2.89Å
180	A	96.7	Very high	95.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132	165.7	0	0	0	0	0	110	V133 F134 F168 L177 E189 L190	V133-A180 HydrophobicContact CG2-CB 3.96Å; V133-A180 WeakPolarHBondContact CG2-O 3.32Å; V133-A180 PolarHBondContact N-O 3.03Å; F134-A180 HydrophobicContact CB-CB 4.14Å; F134-A180 PolarHBondContact N-O 3Å; F134-A180 PolarHBondContact O-N 2.82Å; F168-A180 HydrophobicContact CD1-CB 4.2Å; F168-A180 HydrophobicContact CD2-CB 3.79Å; F168-A180 HydrophobicContact CE1-CB 4.26Å; F168-A180 HydrophobicContact CE2-CB 3.86Å; F168-A180 HydrophobicContact CG-CB 3.98Å; F168-A180 HydrophobicContact CZ-CB 4.1Å; L177-A180 HydrophobicContact CD2-CB 4.46Å; A180-E189 WeakPolarHBondContact CA-O 3.49Å; A180-L190 HydrophobicContact CB-CD2 3.45Å; A180-L190 VanDerWaalsContact CB-CD2 3.45Å
181	I	94.8	Very high	95.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.6	-179.7	-44.2	-176.5	0	0	0	108.3	E122 N130 T131 V132 K179 T183 Y188 E189 Y191	E122-I181 HydrophobicContact CG-CD1 3.83Å; N130-I181 HydrophobicContact CB-CG2 3.57Å; T131-I181 CarbonylContact O-C 3.52Å; T131-I181 WeakPolarHBondContact O-CA 3.05Å; V132-I181 HydrophobicContact CG2-CD1 4.48Å; V132-I181 HydrophobicContact CG2-CG1 4.27Å; V132-I181 HydrophobicContact CG2-CG2 4.45Å; K179-I181 HydrophobicContact CD-CD1 4.05Å; K179-I181 HydrophobicContact CD-CG1 4.06Å; K179-I181 HydrophobicContact CG-CG1 4.05Å; I181-T183 HydrophobicContact CG2-CG2 4.4Å; I181-T183 PolarHBondContact O-N 3.34Å; I181-Y188 CarbonylContact O-C 3.58Å; I181-Y188 VanDerWaalsContact O-CA 3.3Å; I181-Y188 WeakPolarHBondContact O-CA 3.5Å; I181-E189 HydrophobicContact CB-CB 4.38Å; I181-E189 PolarHBondContact N-O 3.38Å; I181-E189 PolarHBondContact O-N 3.41Å; I181-Y191 HydrophobicContact CD1-CE2 3.76Å; I181-Y191 HydrophobicContact CG1-CE2 4.32Å
182	C	94.5	Very high	95.6	Very high	13 Å²	13	19.2 Å²	19.2	9%	0.088	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	112.8	170.3	-167.7	0	0	0	0	108.6	T131 V133 F165 G184 Y188	T131-C182 PolarHBondContact N-O 2.84Å; T131-C182 PolarHBondContact O-N 3Å; V133-C182 HydrophobicContact CG1-CB 3.94Å; F165-C182 HydrophobicContact CD1-CB 4.05Å; F165-C182 HydrophobicContact CE1-CB 4.03Å; C182-G184 PolarHBondContact SG-O 2.95Å; C182-Y188 HydrophobicContact CB-CD1 4.15Å; C182-Y188 HydrophobicContact CB-CE1 3.8Å
183	T	93.2	Very high	95.6	Very high	40 Å²	40	19.5 Å²	19.5	25%	0.245	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-15.3	-177.8	57.9	0	0	0	0	112.8	N130 I181 E187 E189	N130-T183 HydrophobicContact CB-CG2 4.32Å; I181-T183 HydrophobicContact CG2-CG2 4.4Å; I181-T183 PolarHBondContact O-N 3.34Å; T183-E187 PolarHBondContact N-O 2.92Å; T183-E187 PolarHBondContact OG1-O 2.96Å; T183-E189 HydrophobicContact CG2-CB 3.76Å
184	G	91.3	Very high	95.5	Very high	20 Å²	20	21.2 Å²	21.2	21%	0.206	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	174.3	170.6	0	0	0	0	0	110.7	C182 Y186 E187	C182-G184 PolarHBondContact SG-O 2.95Å; G184-Y186 PolarHBondContact O-N 3.47Å; G184-E187 PolarHBondContact N-O 2.86Å; G184-E187 PolarHBondContact O-N 3.19Å; G184-E187 VanDerWaalsContact O-N 3.12Å
185	P	90.7	Very high	95.4	Very high	100 Å²	100	21.2 Å²	21.2	65%	0.649	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.1	-172.3	-29.3	35.8	0	0	0	115
186	Y	94.9	Very high	95.2	Very high	89 Å²	89	21.2 Å²	21.2	35%	0.349	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	20	176.9	-47.1	-64	0	0	0	112.2	G184 N216 Y218 R219	G184-Y186 PolarHBondContact O-N 3.47Å; Y186-N216 HydrophobicContact CD1-CB 3.78Å; Y186-N216 HydrophobicContact CD2-CB 4.4Å; Y186-N216 HydrophobicContact CE1-CB 3.66Å; Y186-N216 VanDerWaalsContact CE1-ND2 3.34Å; Y186-N216 WeakPolarHBondContact CE1-ND2 3.25Å; Y186-N216 HydrophobicContact CE2-CB 4.29Å; Y186-N216 HydrophobicContact CG-CB 4.17Å; Y186-N216 PolarHBondContact OH-ND2 3.45Å; Y186-N216 PolarHBondContact OH-OD1 2.89Å; Y186-Y218 HydrophobicContact CD1-CD1 4.27Å; Y186-Y218 AromaticContact CD1-CE1 3.76Å; Y186-Y218 HydrophobicContact CD1-CE1 3.76Å; Y186-Y218 AromaticContact CD1-CZ 3.97Å; Y186-Y218 HydrophobicContact CG-CE1 4.48Å; Y186-Y218 CarbonylContact O-C 3.48Å; Y186-Y218 VanDerWaalsContact O-CA 3.24Å; Y186-Y218 WeakPolarHBondContact O-CA 3.27Å; Y186-R219 PolarHBondContact O-N 2.96Å
187	E	95.8	Very high	94.9	Very high	72 Å²	72	22.4 Å²	22.4	34%	0.336	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.5	-177	-57.4	-150.2	132.5	0	0	111.2	T183 G184 R219	T183-E187 PolarHBondContact N-O 2.92Å; T183-E187 PolarHBondContact OG1-O 2.96Å; G184-E187 PolarHBondContact N-O 2.86Å; G184-E187 PolarHBondContact O-N 3.19Å; G184-E187 VanDerWaalsContact O-N 3.12Å; E187-R219 WeakPolarHBondContact CA-O 3.48Å; E187-R219 HydrophobicContact CB-CB 4.44Å; E187-R219 HydrophobicContact CG-CB 3.98Å; E187-R219 VanDerWaalsContact OE1-CD 3.29Å; E187-R219 WeakPolarHBondContact OE1-CD 3.28Å; E187-R219 IonicContact OE1-CZ 3.89Å; E187-R219 IonicContact OE1-NE 2.82Å; E187-R219 PolarHBondContact OE1-NE 3.12Å
188	Y	96.7	Very high	94.4	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.3	-174.4	-67.7	-102.5	0	0	0	111.7	V133 L166 F168 I181 C182 Y218 R219 F220 T221	V133-Y188 HydrophobicContact CG2-CD1 4.23Å; V133-Y188 HydrophobicContact CG2-CE1 4.04Å; L166-Y188 HydrophobicContact CB-CE1 4.12Å; L166-Y188 HydrophobicContact CB-CE2 4.49Å; L166-Y188 HydrophobicContact CD1-CD2 4.08Å; L166-Y188 HydrophobicContact CD1-CE2 3.69Å; L166-Y188 HydrophobicContact CG-CE2 4.02Å; L166-Y188 PolarHBondContact N-OH 3.44Å; L166-Y188 VanDerWaalsContact N-OH 3.09Å; F168-Y188 AromaticContact CE2-CD1 3.68Å; F168-Y188 HydrophobicContact CE2-CD1 3.68Å; F168-Y188 AromaticContact CE2-CE1 3.83Å; F168-Y188 HydrophobicContact CE2-CE1 3.83Å; F168-Y188 HydrophobicContact CE2-CG 4.48Å; F168-Y188 AromaticContact CZ-CD1 3.75Å; F168-Y188 HydrophobicContact CZ-CD1 3.75Å; F168-Y188 HydrophobicContact CZ-CE1 4.25Å; F168-Y188 HydrophobicContact CZ-CG 4.12Å; I181-Y188 CarbonylContact O-C 3.58Å; I181-Y188 VanDerWaalsContact O-CA 3.3Å; I181-Y188 WeakPolarHBondContact O-CA 3.5Å; C182-Y188 HydrophobicContact CB-CD1 4.15Å; C182-Y188 HydrophobicContact CB-CE1 3.8Å; Y188-Y218 HydrophobicContact CE2-CD1 4.11Å; Y188-Y218 HydrophobicContact CE2-CE1 4.37Å; Y188-R219 PolarHBondContact N-O 2.96Å; Y188-F220 HydrophobicContact CD2-CD1 4.37Å; Y188-F220 HydrophobicContact CD2-CE1 4.04Å; Y188-F220 HydrophobicContact CG-CD1 4.44Å; Y188-F220 HydrophobicContact CG-CE1 4.25Å; Y188-T221 PolarHBondContact O-N 3.2Å
189	E	96.5	Very high	93.7	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.9	174.8	-159.2	-178.8	107.6	0	0	109.5	S120 G121 A180 I181 T183 Y191 V223	S120-E189 PolarHBondContact N-OE2 3.38Å; S120-E189 PolarHBondContact OG-OE2 3.07Å; G121-E189 VanDerWaalsContact CA-OE1 3.23Å; G121-E189 WeakPolarHBondContact CA-OE1 3.28Å; G121-E189 PolarHBondContact N-OE1 2.77Å; G121-E189 PolarHBondContact N-OE2 2.72Å; A180-E189 WeakPolarHBondContact CA-O 3.49Å; I181-E189 HydrophobicContact CB-CB 4.38Å; I181-E189 PolarHBondContact N-O 3.38Å; I181-E189 PolarHBondContact O-N 3.41Å; T183-E189 HydrophobicContact CG2-CB 3.76Å; E189-Y191 HydrophobicContact CG-CE2 4.4Å; E189-Y191 PolarHBondContact OE1-OH 3.38Å; E189-V223 HydrophobicContact CG-CG1 3.46Å; E189-V223 VanDerWaalsContact CG-CG1 3.46Å; E189-V223 HydrophobicContact CG-CG2 4.33Å
190	L	97.5	Very high	93	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.9	-167.7	-58.2	-177	0	0	0	111.2	F168 L177 A180 F207 F220 T221 I222 V223	F168-L190 HydrophobicContact CE1-CD2 3.88Å; F168-L190 HydrophobicContact CZ-CD2 4.18Å; L177-L190 HydrophobicContact CD1-CB 3.95Å; L177-L190 HydrophobicContact CD1-CD2 4.3Å; A180-L190 HydrophobicContact CB-CD2 3.45Å; A180-L190 VanDerWaalsContact CB-CD2 3.45Å; L190-F207 HydrophobicContact CD1-CE1 4.25Å; L190-F207 HydrophobicContact CD1-CE2 4.23Å; L190-F207 HydrophobicContact CD1-CZ 3.66Å; L190-F220 HydrophobicContact CD1-CB 3.93Å; L190-F220 HydrophobicContact CD1-CD2 4.12Å; L190-F220 HydrophobicContact CD1-CG 4.02Å; L190-T221 PolarHBondContact N-O 3.11Å; L190-I222 HydrophobicContact CB-CB 4.44Å; L190-I222 HydrophobicContact CB-CG1 3.8Å; L190-I222 HydrophobicContact CD1-CG1 4.03Å; L190-I222 CarbonylContact O-C 3.2Å; L190-I222 VanDerWaalsContact O-CA 3.28Å; L190-I222 WeakPolarHBondContact O-CA 3.49Å; L190-V223 PolarHBondContact O-N 3.37Å
191	Y	96.4	Very high	92.6	Very high	8 Å²	8	31.1 Å²	31.1	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.7	178.6	-67	-108.2	0	0	0	110.5	L177 S178 K179 I181 E189 V223 L275 F277	L177-Y191 WeakPolarHBondContact CD1-O 3.44Å; S178-Y191 WeakPolarHBondContact CA-O 3.16Å; S178-Y191 WeakPolarHBondContact CB-O 3.28Å; S178-Y191 PolarHBondContact N-O 3.04Å; K179-Y191 HydrophobicContact CB-CD2 4.2Å; K179-Y191 HydrophobicContact CB-CG 4.44Å; K179-Y191 PolarHBondContact N-O 2.94Å; K179-Y191 PolarHBondContact O-N 2.89Å; I181-Y191 HydrophobicContact CD1-CE2 3.76Å; I181-Y191 HydrophobicContact CG1-CE2 4.32Å; E189-Y191 HydrophobicContact CG-CE2 4.4Å; E189-Y191 PolarHBondContact OE1-OH 3.38Å; Y191-V223 HydrophobicContact CD1-CG2 3.85Å; Y191-V223 HydrophobicContact CD2-CG2 4.17Å; Y191-V223 HydrophobicContact CE1-CG2 3.7Å; Y191-V223 HydrophobicContact CE2-CG2 4Å; Y191-V223 HydrophobicContact CG-CG2 4.11Å; Y191-L275 HydrophobicContact CD1-CD1 3.88Å; Y191-L275 HydrophobicContact CE1-CB 4.35Å; Y191-L275 HydrophobicContact CE1-CD1 4.31Å; Y191-F277 HydrophobicContact CE1-CE2 4.04Å; Y191-F277 HydrophobicContact CE1-CZ 4.43Å
192	L	96.4	Very high	92.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-80.2	149.1	172.8	-53.1	-175.4	0	0	0	111.2	L177 T202 F205 I222 N224 F225	L177-L192 HydrophobicContact CD1-CD2 4.5Å; L192-T202 HydrophobicContact CB-CG2 4.06Å; L192-F205 HydrophobicContact CD1-CB 4.04Å; L192-F205 HydrophobicContact CD2-CB 3.46Å; L192-F205 VanDerWaalsContact CD2-CB 3.46Å; L192-F205 HydrophobicContact CG-CB 4.41Å; L192-I222 HydrophobicContact CD1-CG2 3.92Å; L192-I222 HydrophobicContact CD2-CD1 4.3Å; L192-I222 HydrophobicContact CD2-CG2 3.99Å; L192-I222 HydrophobicContact CG-CG2 3.62Å; L192-N224 PolarHBondContact N-ND2 2.87Å; L192-N224 PolarHBondContact N-OD1 2.83Å; L192-N224 PolarHBondContact O-ND2 3.01Å; L192-F225 HydrophobicContact CD1-CE1 4.16Å; L192-F225 HydrophobicContact CD1-CZ 4.18Å
193	R	94.9	Very high	92.4	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.042	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-77.8	126.1	171.7	-174.6	175.1	60.3	-114.4	-2.5	108.2	G175 N176 L196 V464	G175-R193 PolarHBondContact O-NH2 3.42Å; N176-R193 PolarHBondContact ND2-O 3.03Å; N176-R193 WeakPolarHBondContact OD1-CB 3.37Å; N176-R193 PolarHBondContact OD1-N 3.13Å; R193-L196 HydrophobicContact CG-CD2 4.48Å; R193-V464 PolarHBondContact NH2-O 2.86Å
194	P	93.3	Very high	92.6	Very high	49 Å²	49	29.7 Å²	29.7	32%	0.318	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-58.8	159.8	170.2	-22.3	33.5	0	0	0	111.6	L196 T202	P194-L196 PolarHBondContact O-N 2.54Å; P194-T202 HydrophobicContact CB-CG2 4.26Å; P194-T202 HydrophobicContact CG-CG2 4.02Å
195	D	94.3	Very high	92.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-57.9	132.7	177.3	-84.1	6.1	0	0	0	110.6	Y197 T198 K200 N466 Y467 R468 C469	D195-Y197 PolarHBondContact O-N 3.13Å; D195-T198 HydrophobicContact CB-CG2 3.94Å; D195-T198 WeakPolarHBondContact O-CA 3.34Å; D195-T198 WeakPolarHBondContact O-CB 3.09Å; D195-T198 WeakPolarHBondContact O-CG2 3.41Å; D195-T198 PolarHBondContact O-N 3.33Å; D195-T198 PolarHBondContact O-OG1 2.93Å; D195-K200 PolarHBondContact N-O 2.99Å; D195-N466 WeakPolarHBondContact CA-OD1 3.26Å; D195-N466 HydrophobicContact CB-CB 4.43Å; D195-N466 VanDerWaalsContact OD1-CA 3.26Å; D195-N466 WeakPolarHBondContact OD1-CA 3.37Å; D195-N466 WeakPolarHBondContact OD1-CB 3.4Å; D195-Y467 PolarHBondContact OD1-N 2.75Å; D195-R468 WeakPolarHBondContact OD2-CA 3.43Å; D195-R468 WeakPolarHBondContact OD2-CB 3.16Å; D195-R468 PolarHBondContact OD2-N 3.31Å; D195-C469 HydrophobicContact CB-CB 4.17Å; D195-C469 PolarHBondContact OD2-N 2.88Å
196	L	93.3	Very high	93.3	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	135.5	-173.1	-54.8	-167.7	0	0	0	111.2	P84 F87 I140 R193 P194 T198 V464 N466 L471	P84-L196 HydrophobicContact CG-CD1 4.12Å; F87-L196 HydrophobicContact CD2-CD1 4.03Å; F87-L196 HydrophobicContact CE2-CD1 4.14Å; F87-L196 HydrophobicContact CE2-CD2 4.48Å; I140-L196 HydrophobicContact CD1-CB 4.23Å; I140-L196 HydrophobicContact CD1-CD2 4.12Å; I140-L196 HydrophobicContact CG2-CD1 4.43Å; R193-L196 HydrophobicContact CG-CD2 4.48Å; P194-L196 PolarHBondContact O-N 2.54Å; L196-T198 PolarHBondContact O-N 2.9Å; L196-V464 HydrophobicContact CD1-CB 3.75Å; L196-V464 HydrophobicContact CD1-CG1 3.93Å; L196-V464 HydrophobicContact CD1-CG2 3.7Å; L196-V464 HydrophobicContact CG-CB 4.35Å; L196-V464 HydrophobicContact CG-CG2 3.93Å; L196-N466 PolarHBondContact N-OD1 2.72Å; L196-L471 HydrophobicContact CB-CD2 4.43Å; L196-L471 HydrophobicContact CD1-CD2 4.06Å
197	Y	91.3	Very high	93.4	Very high	28 Å²	28	20 Å²	20	11%	0.11	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	15	-175.2	-40.6	-67	0	0	0	115.5	I140 G141 F143 F144 D195 L471	I140-Y197 HydrophobicContact CB-CE1 3.84Å; I140-Y197 HydrophobicContact CD1-CD1 4.35Å; I140-Y197 HydrophobicContact CD1-CE1 4.43Å; I140-Y197 HydrophobicContact CG2-CE1 4.36Å; G141-Y197 WeakPolarHBondContact O-CD1 3.46Å; G141-Y197 VanDerWaalsContact O-CE1 3.29Å; G141-Y197 WeakPolarHBondContact O-CE1 3.38Å; F143-Y197 VanDerWaalsContact CA-CD1 3.41Å; F143-Y197 WeakPolarHBondContact O-CE1 3.09Å; F144-Y197 HydrophobicContact CB-CD2 4.33Å; F144-Y197 HydrophobicContact CB-CE2 3.7Å; F144-Y197 HydrophobicContact CD2-CE2 4.4Å; D195-Y197 PolarHBondContact O-N 3.13Å; Y197-L471 HydrophobicContact CD2-CB 4.35Å; Y197-L471 VanDerWaalsContact CD2-O 3.23Å; Y197-L471 WeakPolarHBondContact CD2-O 3.22Å; Y197-L471 HydrophobicContact CE2-CB 3.99Å; Y197-L471 HydrophobicContact CE2-CD2 4Å
198	T	87.8	Confident	93.5	Very high	29 Å²	29	18.3 Å²	18.3	18%	0.178	9%	0.086	C	C	.	.	S	Bend	trans	-117.7	-179.3	169.8	85.2	0	0	0	0	111.6	D195 L196 K200 Y201 C469	D195-T198 HydrophobicContact CB-CG2 3.94Å; D195-T198 WeakPolarHBondContact O-CA 3.34Å; D195-T198 WeakPolarHBondContact O-CB 3.09Å; D195-T198 WeakPolarHBondContact O-CG2 3.41Å; D195-T198 PolarHBondContact O-N 3.33Å; D195-T198 PolarHBondContact O-OG1 2.93Å; L196-T198 PolarHBondContact O-N 2.9Å; T198-K200 PolarHBondContact OG1-N 2.66Å; T198-K200 VanDerWaalsContact OG1-N 3.16Å; T198-K200 PolarHBondContact OG1-O 3.03Å; T198-Y201 HydrophobicContact CG2-CD2 4.49Å; T198-C469 HydrophobicContact CG2-CB 4.21Å
199	K	82	Confident	93.6	Very high	142 Å²	142	18.2 Å²	18.2	62%	0.617	9%	0.085	S	C	*	.	S	Bend	trans	-116.6	17.3	167.1	-70.5	-164.8	168.7	-157	0	112.9
200	K	81.2	Confident	93.6	Very high	31 Å²	31	20.5 Å²	20.5	14%	0.135	10%	0.096	C	C	.	.			trans	-148.4	-169.9	-165.1	48.5	172.2	171.8	169.8	0	111.9	D195 T198 T202 Y226 E678	D195-K200 PolarHBondContact N-O 2.99Å; T198-K200 PolarHBondContact OG1-N 2.66Å; T198-K200 VanDerWaalsContact OG1-N 3.16Å; T198-K200 PolarHBondContact OG1-O 3.03Å; K200-T202 PolarHBondContact O-N 3.42Å; K200-Y226 HydrophobicContact CB-CD2 3.96Å; K200-Y226 HydrophobicContact CB-CE2 3.74Å; K200-E678 WeakPolarHBondContact CE-OE2 3.45Å; K200-E678 IonicContact NZ-OE1 2.95Å; K200-E678 PolarHBondContact NZ-OE1 2.87Å; K200-E678 IonicContact NZ-OE2 2.72Å; K200-E678 PolarHBondContact NZ-OE2 2.84Å
201	Y	87.4	Confident	93.5	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.027	11%	0.107	C	C	.	.			trans	65.8	28.5	176.1	-52.3	-53.1	0	0	0	116.1	T198 Q203 Y226 Y467 R468 C469	T198-Y201 HydrophobicContact CG2-CD2 4.49Å; Y201-Q203 PolarHBondContact O-N 2.74Å; Y201-Q203 VanDerWaalsContact O-N 3.1Å; Y201-Y226 HydrophobicContact CD1-CD1 4.02Å; Y201-Y226 AromaticContact CD1-CE1 3.9Å; Y201-Y226 HydrophobicContact CD1-CE1 3.9Å; Y201-Y226 HydrophobicContact CE1-CD1 4.47Å; Y201-Y226 AromaticContact CE1-CE1 3.89Å; Y201-Y226 HydrophobicContact CE1-CE1 3.89Å; Y201-Y467 WeakPolarHBondContact O-CB 3.46Å; Y201-R468 HydrophobicContact CD1-CB 4.13Å; Y201-R468 HydrophobicContact CD1-CG 4.13Å; Y201-R468 HydrophobicContact CD2-CB 4.08Å; Y201-R468 HydrophobicContact CD2-CG 4.38Å; Y201-R468 HydrophobicContact CE1-CG 4.31Å; Y201-R468 HydrophobicContact CG-CB 3.77Å; Y201-R468 HydrophobicContact CG-CG 4.19Å; Y201-C469 VanDerWaalsContact CD2-SG 3.51Å; Y201-C469 VanDerWaalsContact CE2-SG 3.52Å
202	T	91.9	Very high	93.4	Very high	9 Å²	9	22.3 Å²	22.3	6%	0.055	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	103.2	164.5	39.3	0	0	0	0	111	L192 P194 K200 N224 F225 Y226	L192-T202 HydrophobicContact CB-CG2 4.06Å; P194-T202 HydrophobicContact CB-CG2 4.26Å; P194-T202 HydrophobicContact CG-CG2 4.02Å; K200-T202 PolarHBondContact O-N 3.42Å; T202-N224 WeakPolarHBondContact CB-O 3.45Å; T202-N224 PolarHBondContact OG1-O 3.41Å; T202-F225 WeakPolarHBondContact O-CA 3.36Å; T202-Y226 PolarHBondContact O-N 3.12Å; T202-Y226 PolarHBondContact OG1-N 2.83Å
203	Q	93.3	Very high	93.3	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.051	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-156.7	-34.7	178	-171.5	75.5	63.5	0	0	113.4	Y201 F225 K227 Y467	Y201-Q203 PolarHBondContact O-N 2.74Å; Y201-Q203 VanDerWaalsContact O-N 3.1Å; Q203-F225 HydrophobicContact CB-CD1 4.49Å; Q203-F225 VanDerWaalsContact NE2-CD1 3.27Å; Q203-F225 VanDerWaalsContact NE2-CE1 3.27Å; Q203-F225 WeakPolarHBondContact O-CE1 3.24Å; Q203-K227 VanDerWaalsContact OE1-CD 3.32Å; Q203-K227 VanDerWaalsContact OE1-CG 3.25Å; Q203-Y467 HydrophobicContact CB-CD1 3.56Å; Q203-Y467 HydrophobicContact CB-CD2 4.04Å; Q203-Y467 HydrophobicContact CB-CE1 3.93Å; Q203-Y467 HydrophobicContact CB-CE2 4.41Å; Q203-Y467 HydrophobicContact CB-CG 3.67Å; Q203-Y467 HydrophobicContact CG-CD1 4.27Å; Q203-Y467 HydrophobicContact CG-CD2 4.28Å; Q203-Y467 HydrophobicContact CG-CE1 4.17Å; Q203-Y467 HydrophobicContact CG-CE2 4.22Å; Q203-Y467 HydrophobicContact CG-CG 4.37Å
204	W	97.1	Very high	93.2	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.011	14%	0.138	C	C	.	.			trans	-79.8	129.9	172.1	176.7	-102	0	0	0	109.9	S174 Y206 A312 C313 P315 T422 Y467	S174-W204 PolarHBondContact O-NE1 2.99Å; W204-Y206 HydrophobicContact CZ2-CD1 4.22Å; W204-Y206 HydrophobicContact CZ2-CG 4.24Å; W204-A312 HydrophobicContact CE3-CB 4.03Å; W204-A312 HydrophobicContact CZ3-CB 4.2Å; W204-C313 WeakPolarHBondContact CH2-O 3.43Å; W204-C313 HydrophobicContact CZ3-CB 4.22Å; W204-P315 HydrophobicContact CH2-CB 4.42Å; W204-P315 HydrophobicContact CH2-CG 4.2Å; W204-P315 HydrophobicContact CZ2-CB 4.44Å; W204-P315 HydrophobicContact CZ2-CG 4.34Å; W204-T422 HydrophobicContact CH2-CG2 3.55Å; W204-T422 HydrophobicContact CZ2-CG2 4.33Å; W204-T422 HydrophobicContact CZ3-CG2 3.68Å; W204-Y467 HydrophobicContact CB-CD2 4.29Å; W204-Y467 HydrophobicContact CB-CG 4.46Å
205	F	98.3	Very high	93.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.			trans	-131	139.5	169.7	67.2	-94.6	0	0	0	109.3	L192 F207 I222 F225 F232 P238 L295 F310 A311 A312	L192-F205 HydrophobicContact CD1-CB 4.04Å; L192-F205 HydrophobicContact CD2-CB 3.46Å; L192-F205 VanDerWaalsContact CD2-CB 3.46Å; L192-F205 HydrophobicContact CG-CB 4.41Å; F205-F207 HydrophobicContact CD2-CD1 4.27Å; F205-F207 AromaticContact CD2-CE1 3.84Å; F205-F207 HydrophobicContact CD2-CE1 3.84Å; F205-I222 HydrophobicContact CB-CD1 4.27Å; F205-I222 HydrophobicContact CD1-CD1 3.91Å; F205-I222 HydrophobicContact CD2-CD1 4.18Å; F205-I222 HydrophobicContact CE1-CD1 4.22Å; F205-I222 HydrophobicContact CE2-CD1 4.47Å; F205-I222 HydrophobicContact CG-CD1 3.89Å; F205-I222 HydrophobicContact CZ-CD1 4.49Å; F205-F225 HydrophobicContact CD1-CE1 4.44Å; F205-F225 AromaticContact CD1-CZ 3.88Å; F205-F225 HydrophobicContact CD1-CZ 3.88Å; F205-F225 HydrophobicContact CE1-CZ 4.04Å; F205-F232 HydrophobicContact CE1-CE2 4.44Å; F205-F232 HydrophobicContact CE1-CZ 4.09Å; F205-F232 HydrophobicContact CZ-CZ 4.3Å; F205-P238 HydrophobicContact CZ-CB 4.33Å; F205-L295 HydrophobicContact CE1-CD2 4.32Å; F205-F310 HydrophobicContact CE2-CB 4.47Å; F205-A311 WeakPolarHBondContact CE2-O 3.36Å; F205-A311 WeakPolarHBondContact O-CA 3.44Å; F205-A312 HydrophobicContact CD1-CB 3.74Å; F205-A312 HydrophobicContact CE1-CB 3.68Å; F205-A312 HydrophobicContact CG-CB 4.28Å; F205-A312 HydrophobicContact CZ-CB 4.17Å; F205-A312 PolarHBondContact O-N 3.26Å; F205-A312 VanDerWaalsContact O-N 3.07Å
206	Y	98.6	Very high	93.2	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	110.9	173.3	176.9	-152.1	0	0	0	108.2	H96 F172 E173 S174 G175 N176 W204 W253 Y309 F310 A311 P315	H96-Y206 AromaticContact CE1-CE2 3.97Å; H96-Y206 AromaticContact CE1-CZ 3.92Å; H96-Y206 PolarHBondContact CE1-OH 2.86Å; F172-Y206 HydrophobicContact CD2-CD1 4.29Å; F172-Y206 AromaticContact CD2-CE1 3.91Å; F172-Y206 HydrophobicContact CD2-CE1 3.91Å; F172-Y206 AromaticContact CE2-CD1 3.77Å; F172-Y206 HydrophobicContact CE2-CD1 3.77Å; F172-Y206 HydrophobicContact CE2-CD2 4Å; F172-Y206 AromaticContact CE2-CE1 3.59Å; F172-Y206 HydrophobicContact CE2-CE1 3.59Å; F172-Y206 AromaticContact CE2-CE2 3.83Å; F172-Y206 HydrophobicContact CE2-CE2 3.83Å; F172-Y206 AromaticContact CE2-CG 3.95Å; F172-Y206 HydrophobicContact CE2-CG 3.95Å; F172-Y206 AromaticContact CE2-CZ 3.61Å; F172-Y206 HydrophobicContact CZ-CE2 4.38Å; E173-Y206 WeakPolarHBondContact O-CE1 3.44Å; S174-Y206 WeakPolarHBondContact O-CD1 3.36Å; G175-Y206 CarbonylContact C-O 3.39Å; G175-Y206 WeakPolarHBondContact CA-O 3.44Å; N176-Y206 PolarHBondContact N-O 3.17Å; N176-Y206 PolarHBondContact O-N 3.34Å; W204-Y206 HydrophobicContact CZ2-CD1 4.22Å; W204-Y206 HydrophobicContact CZ2-CG 4.24Å; Y206-W253 HydrophobicContact CD2-CH2 4.42Å; Y206-W253 HydrophobicContact CE2-CH2 4.1Å; Y206-W253 HydrophobicContact CE2-CZ2 4.3Å; Y206-Y309 HydrophobicContact CE2-CD1 4.17Å; Y206-F310 VanDerWaalsContact CA-O 3.25Å; Y206-F310 WeakPolarHBondContact CA-O 3.5Å; Y206-A311 HydrophobicContact CD2-CB 4.09Å; Y206-P315 HydrophobicContact CD1-CB 4.13Å; Y206-P315 HydrophobicContact CD1-CG 4.07Å; Y206-P315 HydrophobicContact CD2-CG 4.02Å; Y206-P315 HydrophobicContact CE1-CB 3.87Å; Y206-P315 HydrophobicContact CE1-CG 4.03Å; Y206-P315 HydrophobicContact CE2-CG 3.97Å; Y206-P315 HydrophobicContact CG-CG 4.1Å
207	F	98.4	Very high	93.3	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	-147	153.6	-174.3	60.5	-92.6	0	0	0	112.1	F168 E169 L177 L190 F205 V209 F220 I222 Y309 F310	F168-F207 HydrophobicContact CD1-CD2 4.07Å; F168-F207 HydrophobicContact CD1-CE2 4.24Å; F168-F207 HydrophobicContact CE1-CD2 4.44Å; F168-F207 HydrophobicContact CE1-CE2 4.14Å; E169-F207 WeakPolarHBondContact O-CA 3.37Å; L177-F207 HydrophobicContact CB-CB 3.76Å; L177-F207 HydrophobicContact CB-CD1 4.27Å; L177-F207 HydrophobicContact CB-CG 4.19Å; L177-F207 HydrophobicContact CD2-CB 4.03Å; L177-F207 HydrophobicContact CD2-CD2 4.18Å; L177-F207 HydrophobicContact CD2-CG 4.01Å; L190-F207 HydrophobicContact CD1-CE1 4.25Å; L190-F207 HydrophobicContact CD1-CE2 4.23Å; L190-F207 HydrophobicContact CD1-CZ 3.66Å; F205-F207 HydrophobicContact CD2-CD1 4.27Å; F205-F207 AromaticContact CD2-CE1 3.84Å; F205-F207 HydrophobicContact CD2-CE1 3.84Å; F207-V209 HydrophobicContact CD2-CG2 3.76Å; F207-V209 HydrophobicContact CE2-CG2 3.68Å; F207-F220 HydrophobicContact CE2-CD2 4.38Å; F207-F220 HydrophobicContact CE2-CE2 4.11Å; F207-F220 HydrophobicContact CZ-CD2 4.26Å; F207-F220 HydrophobicContact CZ-CE2 4.43Å; F207-I222 HydrophobicContact CE1-CD1 4.48Å; F207-Y309 CarbonylContact O-C 3.53Å; F207-Y309 VanDerWaalsContact O-CA 3.29Å; F207-Y309 WeakPolarHBondContact O-CA 3.46Å; F207-F310 HydrophobicContact CD1-CB 4.48Å; F207-F310 HydrophobicContact CD2-CB 4.42Å; F207-F310 HydrophobicContact CE1-CB 3.99Å; F207-F310 HydrophobicContact CE2-CB 3.92Å; F207-F310 AromaticContact CE2-CD2 3.98Å; F207-F310 HydrophobicContact CE2-CD2 3.98Å; F207-F310 HydrophobicContact CE2-CG 4.26Å; F207-F310 HydrophobicContact CZ-CB 3.68Å; F207-F310 HydrophobicContact CZ-CD2 4.37Å; F207-F310 HydrophobicContact CZ-CG 4.2Å; F207-F310 PolarHBondContact N-O 3.42Å; F207-F310 PolarHBondContact O-N 3.12Å
208	R	97.9	Very high	93.6	Very high	37 Å²	37	35.3 Å²	35.3	14%	0.14	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	146.4	176	-170	177.2	84	-166.7	6	109.4	F168 E169 F172 Q210 T307 V308 Y309	F168-R208 WeakPolarHBondContact CA-O 3.1Å; E169-R208 HydrophobicContact CB-CB 4.23Å; E169-R208 PolarHBondContact N-O 3.4Å; E169-R208 PolarHBondContact O-N 3.32Å; F172-R208 HydrophobicContact CE1-CB 3.78Å; F172-R208 HydrophobicContact CZ-CB 4.15Å; R208-Q210 HydrophobicContact CG-CG 4.23Å; R208-T307 HydrophobicContact CG-CG2 3.67Å; R208-V308 CarbonylContact C-O 3.56Å; R208-Y309 HydrophobicContact CB-CD1 3.69Å; R208-Y309 HydrophobicContact CB-CE1 3.58Å; R208-Y309 HydrophobicContact CG-CD1 3.88Å; R208-Y309 HydrophobicContact CG-CE1 3.46Å; R208-Y309 VanDerWaalsContact CG-CE1 3.46Å
209	V	97.7	Very high	94.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.3	173.9	-170.8	0	0	0	0	108.1	L166 K167 F168 F207 F220 F301 V308 F310	L166-V209 HydrophobicContact CB-CG1 4.03Å; L166-V209 HydrophobicContact CD1-CG1 4.07Å; L166-V209 HydrophobicContact CD2-CG1 4.18Å; L166-V209 HydrophobicContact CG-CG1 4.34Å; K167-V209 CarbonylContact O-C 3.58Å; K167-V209 VanDerWaalsContact O-CA 3.31Å; K167-V209 WeakPolarHBondContact O-CA 3.41Å; F168-V209 HydrophobicContact CD1-CG2 3.93Å; F168-V209 HydrophobicContact CE1-CG2 3.89Å; F207-V209 HydrophobicContact CD2-CG2 3.76Å; F207-V209 HydrophobicContact CE2-CG2 3.68Å; V209-F220 HydrophobicContact CG1-CZ 4.4Å; V209-F220 HydrophobicContact CG2-CE2 4.14Å; V209-F220 HydrophobicContact CG2-CZ 4.24Å; V209-F301 HydrophobicContact CG1-CE1 4.21Å; V209-F301 HydrophobicContact CG1-CZ 3.89Å; V209-V308 PolarHBondContact N-O 3.06Å; V209-V308 PolarHBondContact O-N 2.96Å; V209-F310 HydrophobicContact CG2-CD2 3.99Å; V209-F310 HydrophobicContact CG2-CE2 4.25Å
210	Q	96.3	Very high	94.8	Very high	57 Å²	57	27.4 Å²	27.4	27%	0.266	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	175	179.3	-65.1	-179.9	-71.2	0	0	109.7	K167 R208 T307	K167-Q210 HydrophobicContact CB-CB 4.36Å; K167-Q210 PolarHBondContact N-O 2.89Å; K167-Q210 PolarHBondContact O-N 3.33Å; R208-Q210 HydrophobicContact CG-CG 4.23Å; Q210-T307 HydrophobicContact CG-CG2 3.98Å; Q210-T307 PolarHBondContact NE2-OG1 3.43Å
211	N	94.7	Very high	95.6	Very high	43 Å²	43	26.3 Å²	26.3	23%	0.23	14%	0.136	C	C	.	.	S	Bend	trans	63.3	46.1	-173.1	-163.6	49.3	0	0	0	111.9	S163 F165 L166 K167	S163-N211 PolarHBondContact O-ND2 2.81Å; F165-N211 PolarHBondContact O-ND2 3.03Å; L166-N211 WeakPolarHBondContact CD2-O 3.22Å; K167-N211 HydrophobicContact CD-CB 4.47Å; K167-N211 HydrophobicContact CG-CB 4.24Å
212	T	95.4	Very high	96.1	Very high	2 Å²	2	26 Å²	26	1%	0.012	14%	0.135	C	C	.	.			trans	-81.4	151.6	-173.3	62	0	0	0	0	113.1	F301 Y303 P304 N305 D306 V308	T212-F301 HydrophobicContact CG2-CD1 3.44Å; T212-F301 VanDerWaalsContact CG2-CD1 3.44Å; T212-F301 HydrophobicContact CG2-CD2 4.11Å; T212-F301 HydrophobicContact CG2-CE1 3.46Å; T212-F301 VanDerWaalsContact CG2-CE1 3.46Å; T212-F301 HydrophobicContact CG2-CE2 4.14Å; T212-F301 HydrophobicContact CG2-CG 3.78Å; T212-F301 HydrophobicContact CG2-CZ 3.82Å; T212-Y303 PolarHBondContact OG1-O 3.15Å; T212-P304 CarbonylContact O-C 3.58Å; T212-P304 WeakPolarHBondContact O-CA 3.2Å; T212-N305 PolarHBondContact O-N 2.98Å; T212-N305 PolarHBondContact OG1-N 2.92Å; T212-D306 WeakPolarHBondContact OG1-CB 3.26Å; T212-D306 PolarHBondContact OG1-N 3.22Å; T212-V308 HydrophobicContact CG2-CG2 4.18Å
213	E	94.6	Very high	96.3	Very high	84 Å²	84	25.6 Å²	25.6	39%	0.393	13%	0.132	S	C	.	.			trans	-122.7	138.1	166.2	-52.8	178.1	147.4	0	0	109.7	N216 Y218 F301	E213-N216 PolarHBondContact OE2-ND2 3.4Å; E213-Y218 WeakPolarHBondContact CB-OH 3.43Å; E213-Y218 PolarHBondContact OE2-OH 3.44Å; E213-F301 WeakPolarHBondContact O-CD2 3.46Å
214	N	92.9	Very high	96.2	Very high	58 Å²	58	25.4 Å²	25.4	31%	0.31	13%	0.132	S	C	.	.	S	Bend	trans	-88.5	-21.9	-179.6	62.1	-31.3	0	0	0	114.2	F301	N214-F301 VanDerWaalsContact CA-O 3.32Å; N214-F301 WeakPolarHBondContact CA-O 3.44Å; N214-F301 VanDerWaalsContact CB-O 3.3Å; N214-F301 WeakPolarHBondContact CB-O 3.49Å
215	N	92.4	Very high	96	Very high	121 Å²	121	25.2 Å²	25.2	65%	0.647	13%	0.131	S	C	*	.	S	Bend	trans	-70.4	-36.3	-177.3	-66.4	-23.7	0	0	0	112.3	K300	N215-K300 PolarHBondContact O-NZ 3.4Å
216	N	94.1	Very high	95.4	Very high	43 Å²	43	28.6 Å²	28.6	23%	0.23	14%	0.144	C	C	.	.	S	Bend	trans	-89.1	154.8	-171.8	-72.4	-50.6	0	0	0	113.6	Y186 E213 Y218 K300	Y186-N216 HydrophobicContact CD1-CB 3.78Å; Y186-N216 HydrophobicContact CD2-CB 4.4Å; Y186-N216 HydrophobicContact CE1-CB 3.66Å; Y186-N216 VanDerWaalsContact CE1-ND2 3.34Å; Y186-N216 WeakPolarHBondContact CE1-ND2 3.25Å; Y186-N216 HydrophobicContact CE2-CB 4.29Å; Y186-N216 HydrophobicContact CG-CB 4.17Å; Y186-N216 PolarHBondContact OH-ND2 3.45Å; Y186-N216 PolarHBondContact OH-OD1 2.89Å; E213-N216 PolarHBondContact OE2-ND2 3.4Å; N216-Y218 HydrophobicContact CB-CE2 3.93Å; N216-K300 WeakPolarHBondContact O-CG 3.23Å
217	S	96	Very high	94.9	Very high	52 Å²	52	28.7 Å²	28.7	36%	0.364	15%	0.145	S	C	.	.			trans	-106.8	109.8	177.1	-169.6	0	0	0	0	109.8	F299	S217-F299 CarbonylContact C-O 3.57Å; S217-F299 WeakPolarHBondContact CA-O 3.19Å
218	Y	97.6	Very high	94.3	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	144.4	-177.2	-64.9	-97.9	0	0	0	111.1	L166 Y186 Y188 E213 N216 K298 F299 F301	L166-Y218 HydrophobicContact CD1-CD1 3.69Å; L166-Y218 HydrophobicContact CD1-CE1 3.75Å; L166-Y218 HydrophobicContact CD1-CG 4.48Å; L166-Y218 HydrophobicContact CD2-CE1 4.02Å; L166-Y218 HydrophobicContact CG-CD1 4.38Å; L166-Y218 HydrophobicContact CG-CE1 3.93Å; Y186-Y218 HydrophobicContact CD1-CD1 4.27Å; Y186-Y218 AromaticContact CD1-CE1 3.76Å; Y186-Y218 HydrophobicContact CD1-CE1 3.76Å; Y186-Y218 AromaticContact CD1-CZ 3.97Å; Y186-Y218 HydrophobicContact CG-CE1 4.48Å; Y186-Y218 CarbonylContact O-C 3.48Å; Y186-Y218 VanDerWaalsContact O-CA 3.24Å; Y186-Y218 WeakPolarHBondContact O-CA 3.27Å; Y188-Y218 HydrophobicContact CE2-CD1 4.11Å; Y188-Y218 HydrophobicContact CE2-CE1 4.37Å; E213-Y218 WeakPolarHBondContact CB-OH 3.43Å; E213-Y218 PolarHBondContact OE2-OH 3.44Å; N216-Y218 HydrophobicContact CB-CE2 3.93Å; Y218-K298 CarbonylContact O-C 3.56Å; Y218-K298 VanDerWaalsContact O-CA 3.26Å; Y218-K298 WeakPolarHBondContact O-CA 3.48Å; Y218-F299 PolarHBondContact N-O 3.49Å; Y218-F299 PolarHBondContact O-N 3.42Å; Y218-F301 HydrophobicContact CD1-CE2 4.28Å; Y218-F301 AromaticContact CD2-CD2 3.6Å; Y218-F301 HydrophobicContact CD2-CD2 3.6Å; Y218-F301 AromaticContact CD2-CE2 3.5Å; Y218-F301 HydrophobicContact CD2-CE2 3.5Å; Y218-F301 VanDerWaalsContact CD2-CE2 3.5Å; Y218-F301 HydrophobicContact CE1-CE2 4.3Å; Y218-F301 AromaticContact CE2-CD2 3.49Å; Y218-F301 HydrophobicContact CE2-CD2 3.49Å; Y218-F301 VanDerWaalsContact CE2-CD2 3.49Å; Y218-F301 AromaticContact CE2-CE2 3.54Å; Y218-F301 HydrophobicContact CE2-CE2 3.54Å; Y218-F301 HydrophobicContact CG-CD2 4.43Å; Y218-F301 AromaticContact CG-CE2 3.87Å; Y218-F301 HydrophobicContact CG-CE2 3.87Å; Y218-F301 AromaticContact CZ-CE2 3.94Å
219	R	97.9	Very high	93.7	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126	165.5	-177.4	-173.6	-62.3	-71.3	1	109.6	Y186 E187 Y188 D259 T296 W297 K298	Y186-R219 PolarHBondContact O-N 2.96Å; E187-R219 WeakPolarHBondContact CA-O 3.48Å; E187-R219 HydrophobicContact CB-CB 4.44Å; E187-R219 HydrophobicContact CG-CB 3.98Å; E187-R219 VanDerWaalsContact OE1-CD 3.29Å; E187-R219 WeakPolarHBondContact OE1-CD 3.28Å; E187-R219 IonicContact OE1-CZ 3.89Å; E187-R219 IonicContact OE1-NE 2.82Å; E187-R219 PolarHBondContact OE1-NE 3.12Å; Y188-R219 PolarHBondContact N-O 2.96Å; R219-D259 IonicContact CZ-OD2 3.22Å; R219-D259 IonicContact NH1-OD2 2.82Å; R219-D259 PolarHBondContact NH1-OD2 3.17Å; R219-D259 IonicContact NH2-OD2 2.71Å; R219-D259 PolarHBondContact NH2-OD2 2.98Å; R219-T296 WeakPolarHBondContact CD-OG1 3.22Å; R219-T296 WeakPolarHBondContact CG-OG1 3.32Å; R219-T296 PolarHBondContact NH1-OG1 2.83Å; R219-W297 WeakPolarHBondContact CA-O 3.21Å; R219-K298 HydrophobicContact CB-CG 4.09Å; R219-K298 HydrophobicContact CG-CG 4.49Å; R219-K298 VanDerWaalsContact NH2-CE 3.32Å
220	F	98.2	Very high	93.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.1	165.2	-69.6	-8.2	0	0	0	109.3	L166 F168 Y188 L190 F207 V209 T296 W297 F299 F301 F310	L166-F220 HydrophobicContact CD1-CE1 3.67Å; L166-F220 HydrophobicContact CD1-CZ 3.79Å; F168-F220 HydrophobicContact CE1-CZ 4.15Å; F168-F220 HydrophobicContact CZ-CE1 4.23Å; F168-F220 HydrophobicContact CZ-CZ 4.2Å; Y188-F220 HydrophobicContact CD2-CD1 4.37Å; Y188-F220 HydrophobicContact CD2-CE1 4.04Å; Y188-F220 HydrophobicContact CG-CD1 4.44Å; Y188-F220 HydrophobicContact CG-CE1 4.25Å; L190-F220 HydrophobicContact CD1-CB 3.93Å; L190-F220 HydrophobicContact CD1-CD2 4.12Å; L190-F220 HydrophobicContact CD1-CG 4.02Å; F207-F220 HydrophobicContact CE2-CD2 4.38Å; F207-F220 HydrophobicContact CE2-CE2 4.11Å; F207-F220 HydrophobicContact CZ-CD2 4.26Å; F207-F220 HydrophobicContact CZ-CE2 4.43Å; V209-F220 HydrophobicContact CG1-CZ 4.4Å; V209-F220 HydrophobicContact CG2-CE2 4.14Å; V209-F220 HydrophobicContact CG2-CZ 4.24Å; F220-T296 WeakPolarHBondContact O-CA 3.47Å; F220-T296 PolarHBondContact O-OG1 3.5Å; F220-W297 HydrophobicContact CB-CD2 4.21Å; F220-W297 HydrophobicContact CB-CE3 4.32Å; F220-W297 HydrophobicContact CB-CH2 3.88Å; F220-W297 HydrophobicContact CB-CZ2 3.74Å; F220-W297 HydrophobicContact CB-CZ3 4.16Å; F220-W297 HydrophobicContact CD2-CH2 4.38Å; F220-W297 AromaticContact CD2-CZ2 3.71Å; F220-W297 HydrophobicContact CD2-CZ2 3.71Å; F220-W297 HydrophobicContact CG-CZ2 4.24Å; F220-W297 PolarHBondContact N-O 2.93Å; F220-W297 VanDerWaalsContact N-O 3.08Å; F220-W297 PolarHBondContact O-N 3.46Å; F220-F299 HydrophobicContact CD1-CE1 4.18Å; F220-F299 AromaticContact CD2-CE1 3.73Å; F220-F299 HydrophobicContact CD2-CE1 3.73Å; F220-F299 HydrophobicContact CD2-CZ 4.23Å; F220-F299 HydrophobicContact CE1-CE1 4.16Å; F220-F299 HydrophobicContact CE1-CZ 4.29Å; F220-F299 AromaticContact CE2-CE1 3.7Å; F220-F299 HydrophobicContact CE2-CE1 3.7Å; F220-F299 AromaticContact CE2-CZ 3.72Å; F220-F299 HydrophobicContact CE2-CZ 3.72Å; F220-F299 AromaticContact CG-CE1 3.97Å; F220-F299 HydrophobicContact CG-CE1 3.97Å; F220-F299 AromaticContact CZ-CE1 3.93Å; F220-F299 HydrophobicContact CZ-CE1 3.93Å; F220-F299 AromaticContact CZ-CZ 3.76Å; F220-F299 HydrophobicContact CZ-CZ 3.76Å; F220-F301 HydrophobicContact CZ-CZ 4.31Å; F220-F310 AromaticContact CE2-CD2 3.97Å; F220-F310 HydrophobicContact CE2-CD2 3.97Å; F220-F310 AromaticContact CE2-CE2 3.75Å; F220-F310 HydrophobicContact CE2-CE2 3.75Å; F220-F310 HydrophobicContact CE2-CZ 4.27Å
221	T	97.9	Very high	93.3	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.055	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	106.6	175.7	-53.6	0	0	0	0	109.9	Y188 L190 V223 L295 T296	Y188-T221 PolarHBondContact O-N 3.2Å; L190-T221 PolarHBondContact N-O 3.11Å; T221-V223 HydrophobicContact CG2-CG1 3.97Å; T221-L295 CarbonylContact C-O 3.52Å; T221-L295 VanDerWaalsContact CA-O 3.28Å; T221-L295 WeakPolarHBondContact CA-O 3.48Å; T221-T296 PolarHBondContact OG1-OG1 3.13Å
222	I	97.4	Very high	93.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	115.9	172.8	-64.3	167	0	0	0	108.4	L190 L192 F205 F207 F225 S294 L295 W297	L190-I222 HydrophobicContact CB-CB 4.44Å; L190-I222 HydrophobicContact CB-CG1 3.8Å; L190-I222 HydrophobicContact CD1-CG1 4.03Å; L190-I222 CarbonylContact O-C 3.2Å; L190-I222 VanDerWaalsContact O-CA 3.28Å; L190-I222 WeakPolarHBondContact O-CA 3.49Å; L192-I222 HydrophobicContact CD1-CG2 3.92Å; L192-I222 HydrophobicContact CD2-CD1 4.3Å; L192-I222 HydrophobicContact CD2-CG2 3.99Å; L192-I222 HydrophobicContact CG-CG2 3.62Å; F205-I222 HydrophobicContact CB-CD1 4.27Å; F205-I222 HydrophobicContact CD1-CD1 3.91Å; F205-I222 HydrophobicContact CD2-CD1 4.18Å; F205-I222 HydrophobicContact CE1-CD1 4.22Å; F205-I222 HydrophobicContact CE2-CD1 4.47Å; F205-I222 HydrophobicContact CG-CD1 3.89Å; F205-I222 HydrophobicContact CZ-CD1 4.49Å; F207-I222 HydrophobicContact CE1-CD1 4.48Å; I222-F225 HydrophobicContact CB-CD2 4.32Å; I222-F225 HydrophobicContact CB-CE2 3.71Å; I222-F225 HydrophobicContact CD1-CE2 4.23Å; I222-F225 HydrophobicContact CD1-CZ 4.35Å; I222-F225 HydrophobicContact CG2-CD2 3.75Å; I222-F225 HydrophobicContact CG2-CE2 3.38Å; I222-F225 HydrophobicContact CG2-CZ 4.15Å; I222-S294 CarbonylContact O-C 3.56Å; I222-S294 VanDerWaalsContact O-CA 3.24Å; I222-S294 WeakPolarHBondContact O-CA 3.46Å; I222-L295 PolarHBondContact N-O 3.08Å; I222-L295 PolarHBondContact O-N 3.25Å; I222-W297 HydrophobicContact CD1-CH2 3.73Å; I222-W297 HydrophobicContact CD1-CZ3 3.86Å; I222-W297 HydrophobicContact CG1-CH2 4.12Å; I222-W297 HydrophobicContact CG1-CZ3 4.05Å
223	V	94.9	Very high	93.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-9.9	-163.6	-62.2	0	0	0	0	116.6	V119 E189 L190 Y191 T221 T265 F277 Y293 S294	V119-V223 HydrophobicContact CB-CG1 4.35Å; V119-V223 HydrophobicContact CG1-CB 4.15Å; V119-V223 HydrophobicContact CG1-CG1 3.95Å; V119-V223 HydrophobicContact CG1-CG2 4.39Å; V119-V223 HydrophobicContact CG2-CB 4.01Å; V119-V223 HydrophobicContact CG2-CG1 3.52Å; E189-V223 HydrophobicContact CG-CG1 3.46Å; E189-V223 VanDerWaalsContact CG-CG1 3.46Å; E189-V223 HydrophobicContact CG-CG2 4.33Å; L190-V223 PolarHBondContact O-N 3.37Å; Y191-V223 HydrophobicContact CD1-CG2 3.85Å; Y191-V223 HydrophobicContact CD2-CG2 4.17Å; Y191-V223 HydrophobicContact CE1-CG2 3.7Å; Y191-V223 HydrophobicContact CE2-CG2 4Å; Y191-V223 HydrophobicContact CG-CG2 4.11Å; T221-V223 HydrophobicContact CG2-CG1 3.97Å; V223-T265 PolarHBondContact O-OG1 2.89Å; V223-F277 HydrophobicContact CB-CZ 4.29Å; V223-F277 HydrophobicContact CG2-CE2 4.34Å; V223-F277 HydrophobicContact CG2-CZ 4Å; V223-Y293 CarbonylContact C-O 3.54Å; V223-S294 WeakPolarHBondContact CA-OG 3.08Å
224	N	92.8	Very high	93.1	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	31.4	-164.8	74.2	-20.9	0	0	0	115.5	L192 T202 M268	L192-N224 PolarHBondContact N-ND2 2.87Å; L192-N224 PolarHBondContact N-OD1 2.83Å; L192-N224 PolarHBondContact O-ND2 3.01Å; T202-N224 WeakPolarHBondContact CB-O 3.45Å; T202-N224 PolarHBondContact OG1-O 3.41Å; N224-M268 HydrophobicContact CB-SD 4.24Å
225	F	92.7	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	146.6	174.7	-80.1	-87.9	0	0	0	112.8	L192 T202 Q203 F205 I222 Y262 T292 Y293 L295	L192-F225 HydrophobicContact CD1-CE1 4.16Å; L192-F225 HydrophobicContact CD1-CZ 4.18Å; T202-F225 WeakPolarHBondContact O-CA 3.36Å; Q203-F225 HydrophobicContact CB-CD1 4.49Å; Q203-F225 VanDerWaalsContact NE2-CD1 3.27Å; Q203-F225 VanDerWaalsContact NE2-CE1 3.27Å; Q203-F225 WeakPolarHBondContact O-CE1 3.24Å; F205-F225 HydrophobicContact CD1-CE1 4.44Å; F205-F225 AromaticContact CD1-CZ 3.88Å; F205-F225 HydrophobicContact CD1-CZ 3.88Å; F205-F225 HydrophobicContact CE1-CZ 4.04Å; I222-F225 HydrophobicContact CB-CD2 4.32Å; I222-F225 HydrophobicContact CB-CE2 3.71Å; I222-F225 HydrophobicContact CD1-CE2 4.23Å; I222-F225 HydrophobicContact CD1-CZ 4.35Å; I222-F225 HydrophobicContact CG2-CD2 3.75Å; I222-F225 HydrophobicContact CG2-CE2 3.38Å; I222-F225 HydrophobicContact CG2-CZ 4.15Å; F225-Y262 HydrophobicContact CB-CE2 4.17Å; F225-Y262 WeakPolarHBondContact CB-OH 3.45Å; F225-Y262 HydrophobicContact CD1-CE2 4.4Å; F225-Y262 HydrophobicContact CD2-CE2 4.01Å; F225-Y262 AromaticContact CG-CE2 3.95Å; F225-Y262 HydrophobicContact CG-CE2 3.95Å; F225-T292 WeakPolarHBondContact O-CA 3.04Å; F225-Y293 VanDerWaalsContact CB-O 3.29Å; F225-Y293 WeakPolarHBondContact CB-O 3.23Å; F225-Y293 PolarHBondContact N-O 3.03Å; F225-Y293 PolarHBondContact O-N 2.69Å; F225-L295 HydrophobicContact CD2-CB 4.07Å; F225-L295 HydrophobicContact CE2-CB 3.53Å; F225-L295 HydrophobicContact CE2-CD2 4.04Å; F225-L295 HydrophobicContact CE2-CG 4.46Å; F225-L295 HydrophobicContact CZ-CB 4.39Å; F225-L295 HydrophobicContact CZ-CD2 4.12Å
226	Y	86.1	Confident	93.4	Very high	70 Å²	70	23.5 Å²	23.5	28%	0.275	13%	0.134	S	C	.	.			trans	-84.8	-32.7	-177.1	179.7	-108.6	0	0	0	114.7	K200 Y201 T202	K200-Y226 HydrophobicContact CB-CD2 3.96Å; K200-Y226 HydrophobicContact CB-CE2 3.74Å; Y201-Y226 HydrophobicContact CD1-CD1 4.02Å; Y201-Y226 AromaticContact CD1-CE1 3.9Å; Y201-Y226 HydrophobicContact CD1-CE1 3.9Å; Y201-Y226 HydrophobicContact CE1-CD1 4.47Å; Y201-Y226 AromaticContact CE1-CE1 3.89Å; Y201-Y226 HydrophobicContact CE1-CE1 3.89Å; T202-Y226 PolarHBondContact O-N 3.12Å; T202-Y226 PolarHBondContact OG1-N 2.83Å
227	K	86.7	Confident	93.5	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.035	13%	0.134	C	C	.	.			trans	-90.9	139	-171.6	-63.9	-173	-168.2	-178.8	0	112.7	Q203 T229 Y262 Y293 Y467 S517	Q203-K227 VanDerWaalsContact OE1-CD 3.32Å; Q203-K227 VanDerWaalsContact OE1-CG 3.25Å; K227-T229 PolarHBondContact O-N 3.35Å; K227-Y262 PolarHBondContact O-OH 3.43Å; K227-Y293 VanDerWaalsContact O-CD2 3.22Å; K227-Y293 WeakPolarHBondContact O-CD2 3.26Å; K227-Y293 VanDerWaalsContact O-CG 3.3Å; K227-Y467 PolarHBondContact NZ-OH 3Å; K227-S517 WeakPolarHBondContact CD-OG 3.37Å; K227-S517 PolarHBondContact NZ-OG 3.11Å
228	S	85.8	Confident	93.6	Very high	59 Å²	59	21.8 Å²	21.8	41%	0.413	12%	0.116	S	C	.	.	S	Bend	trans	-67.5	-16.7	178.3	62	0	0	0	0	115.4	Y293	S228-Y293 VanDerWaalsContact CA-CZ 3.43Å
229	T	86.1	Confident	93.6	Very high	66 Å²	66	21.5 Å²	21.5	41%	0.405	12%	0.115	S	C	.	.			trans	-145.2	139.5	-167.8	29.3	0	0	0	0	108.8	K227 R518	K227-T229 PolarHBondContact O-N 3.35Å; T229-R518 VanDerWaalsContact O-CD 3.25Å; T229-R518 WeakPolarHBondContact O-CD 3.28Å; T229-R518 VanDerWaalsContact O-CG 3.32Å; T229-R518 WeakPolarHBondContact O-CG 3.43Å; T229-R518 WeakPolarHBondContact OG1-CD 3.3Å; T229-R518 PolarHBondContact OG1-NH1 2.85Å
230	S	91.5	Very high	93.7	Very high	5 Å²	5	21.9 Å²	21.9	4%	0.035	12%	0.117	C	C	.	.			trans	-152.1	153.4	-171.8	-170.8	0	0	0	0	112	F232 S233	S230-F232 PolarHBondContact O-N 2.79Å; S230-F232 VanDerWaalsContact OG-CD2 3.29Å; S230-F232 WeakPolarHBondContact OG-CD2 3.23Å; S230-S233 WeakPolarHBondContact O-CB 3.24Å; S230-S233 PolarHBondContact O-N 2.62Å
231	L	94.2	Very high	93.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-66	-15.8	175	-76.1	161.9	0	0	0	113.5	S233 Q234 G235 M236 H516 S517 Q520 T588 F589 C590	L231-S233 VanDerWaalsContact C-N 3.26Å; L231-S233 PolarHBondContact O-N 3.46Å; L231-Q234 HydrophobicContact CD2-CB 4.33Å; L231-Q234 CarbonylContact O-C 3.54Å; L231-Q234 VanDerWaalsContact O-CA 3.31Å; L231-Q234 WeakPolarHBondContact O-CA 3.28Å; L231-Q234 PolarHBondContact O-N 3.44Å; L231-G235 PolarHBondContact O-N 3.17Å; L231-M236 VanDerWaalsContact C-CB 3.43Å; L231-M236 HydrophobicContact CB-CB 3.92Å; L231-M236 HydrophobicContact CB-CG 4.43Å; L231-M236 HydrophobicContact CB-SD 3.69Å; L231-M236 WeakPolarHBondContact O-CB 3.27Å; L231-M236 PolarHBondContact O-N 3.16Å; L231-H516 WeakPolarHBondContact CD1-O 3.15Å; L231-S517 VanDerWaalsContact CD1-C 3.44Å; L231-S517 WeakPolarHBondContact CG-O 3.49Å; L231-S517 PolarHBondContact N-O 3.38Å; L231-Q520 HydrophobicContact CD2-CG 3.68Å; L231-T588 WeakPolarHBondContact CD1-OG1 3.49Å; L231-F589 HydrophobicContact CD1-CB 4.04Å; L231-C590 HydrophobicContact CB-CB 3.96Å; L231-C590 HydrophobicContact CD1-CB 3.8Å; L231-C590 HydrophobicContact CD2-CB 4Å; L231-C590 HydrophobicContact CG-CB 4.14Å
232	F	95.4	Very high	93.7	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.026	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-61.4	-35	170.6	-65.6	-67.8	0	0	0	111.9	F205 S230 Q234 G235 M236 P238 Y262 L295	F205-F232 HydrophobicContact CE1-CE2 4.44Å; F205-F232 HydrophobicContact CE1-CZ 4.09Å; F205-F232 HydrophobicContact CZ-CZ 4.3Å; S230-F232 PolarHBondContact O-N 2.79Å; S230-F232 VanDerWaalsContact OG-CD2 3.29Å; S230-F232 WeakPolarHBondContact OG-CD2 3.23Å; F232-Q234 PolarHBondContact O-N 2.94Å; F232-G235 PolarHBondContact O-N 2.91Å; F232-M236 HydrophobicContact CD1-CB 4.04Å; F232-M236 HydrophobicContact CD1-CG 4.12Å; F232-M236 VanDerWaalsContact CD1-O 3.29Å; F232-M236 WeakPolarHBondContact CD1-O 3.48Å; F232-M236 HydrophobicContact CD1-SD 4.47Å; F232-M236 HydrophobicContact CE1-CB 4.39Å; F232-M236 HydrophobicContact CE1-CE 3.99Å; F232-M236 HydrophobicContact CE1-CG 3.95Å; F232-M236 HydrophobicContact CE1-SD 4.14Å; F232-M236 HydrophobicContact CE2-CE 4.39Å; F232-M236 HydrophobicContact CE2-SD 4.47Å; F232-M236 HydrophobicContact CZ-CE 3.7Å; F232-M236 HydrophobicContact CZ-SD 4.13Å; F232-P238 HydrophobicContact CE1-CG 4.02Å; F232-Y262 HydrophobicContact CB-CD2 4.23Å; F232-Y262 HydrophobicContact CB-CG 4.34Å; F232-Y262 HydrophobicContact CD2-CD2 4.14Å; F232-L295 HydrophobicContact CB-CD1 3.63Å; F232-L295 HydrophobicContact CD1-CD1 3.76Å; F232-L295 HydrophobicContact CD1-CD2 4.07Å; F232-L295 HydrophobicContact CD2-CD1 3.82Å; F232-L295 HydrophobicContact CD2-CD2 3.72Å; F232-L295 HydrophobicContact CD2-CG 4.34Å; F232-L295 HydrophobicContact CE1-CD1 4.42Å; F232-L295 HydrophobicContact CE1-CD2 3.91Å; F232-L295 HydrophobicContact CE2-CD1 4.48Å; F232-L295 HydrophobicContact CE2-CD2 3.54Å; F232-L295 HydrophobicContact CG-CD1 3.45Å; F232-L295 VanDerWaalsContact CG-CD1 3.45Å; F232-L295 HydrophobicContact CG-CD2 4.03Å; F232-L295 HydrophobicContact CG-CG 4.37Å; F232-L295 HydrophobicContact CZ-CD2 3.65Å
233	S	91.8	Very high	93.7	Very high	66 Å²	66	24.4 Å²	24.4	46%	0.462	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-68.7	-9.9	169.7	-45.4	0	0	0	0	113.6	S230 L231	S230-S233 WeakPolarHBondContact O-CB 3.24Å; S230-S233 PolarHBondContact O-N 2.62Å; L231-S233 VanDerWaalsContact C-N 3.26Å; L231-S233 PolarHBondContact O-N 3.46Å
234	Q	92.3	Very high	93.8	Very high	85 Å²	85	28 Å²	28	40%	0.397	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-118.2	33	-179.1	-58	176.5	17.6	0	0	111	L231 F232 M236 Q520	L231-Q234 HydrophobicContact CD2-CB 4.33Å; L231-Q234 CarbonylContact O-C 3.54Å; L231-Q234 VanDerWaalsContact O-CA 3.31Å; L231-Q234 WeakPolarHBondContact O-CA 3.28Å; L231-Q234 PolarHBondContact O-N 3.44Å; F232-Q234 PolarHBondContact O-N 2.94Å; Q234-M236 PolarHBondContact O-N 3.12Å; Q234-Q520 PolarHBondContact O-NE2 3.1Å
235	G	94.4	Very high	93.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	7	172.5	0	0	0	0	0	116.4	Y108 L231 F232	Y108-G235 PolarHBondContact N-O 2.86Å; Y108-G235 WeakPolarHBondContact O-CA 3.33Å; L231-G235 PolarHBondContact O-N 3.17Å; F232-G235 PolarHBondContact O-N 2.91Å
236	M	96.7	Very high	94.2	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.02	15%	0.152	C	C	.	.			trans	-63.5	138.5	172	-174.1	178.4	161.3	0	0	111	L231 F232 Q234 A312 F589 C590	L231-M236 VanDerWaalsContact C-CB 3.43Å; L231-M236 HydrophobicContact CB-CB 3.92Å; L231-M236 HydrophobicContact CB-CG 4.43Å; L231-M236 HydrophobicContact CB-SD 3.69Å; L231-M236 WeakPolarHBondContact O-CB 3.27Å; L231-M236 PolarHBondContact O-N 3.16Å; F232-M236 HydrophobicContact CD1-CB 4.04Å; F232-M236 HydrophobicContact CD1-CG 4.12Å; F232-M236 VanDerWaalsContact CD1-O 3.29Å; F232-M236 WeakPolarHBondContact CD1-O 3.48Å; F232-M236 HydrophobicContact CD1-SD 4.47Å; F232-M236 HydrophobicContact CE1-CB 4.39Å; F232-M236 HydrophobicContact CE1-CE 3.99Å; F232-M236 HydrophobicContact CE1-CG 3.95Å; F232-M236 HydrophobicContact CE1-SD 4.14Å; F232-M236 HydrophobicContact CE2-CE 4.39Å; F232-M236 HydrophobicContact CE2-SD 4.47Å; F232-M236 HydrophobicContact CZ-CE 3.7Å; F232-M236 HydrophobicContact CZ-SD 4.13Å; Q234-M236 PolarHBondContact O-N 3.12Å; M236-A312 WeakPolarHBondContact CE-O 3.27Å; M236-F589 HydrophobicContact CE-CB 3.91Å; M236-F589 HydrophobicContact SD-CB 3.99Å; M236-C590 HydrophobicContact CB-CB 3.88Å; M236-C590 HydrophobicContact CG-CB 3.89Å; M236-C590 HydrophobicContact SD-CB 4.06Å
237	R	97.9	Very high	94.7	Very high	60 Å²	60	33.7 Å²	33.7	23%	0.226	17%	0.171	C	C	.	.			trans	-106.5	141.8	172.3	-67.5	-177.6	-158.6	-119.9	9.3	110.9	R106 L107 R255 V256 G257 I260 H602	R106-R237 PolarHBondContact O-NE 2.69Å; L107-R237 PolarHBondContact O-NH2 2.84Å; L107-R237 VanDerWaalsContact O-NH2 3.12Å; R237-R255 HydrophobicContact CB-CB 4Å; R237-R255 WeakPolarHBondContact O-CD 3.44Å; R237-R255 PolarHBondContact O-NH1 3.26Å; R237-V256 WeakPolarHBondContact CB-O 3.43Å; R237-G257 PolarHBondContact NH1-O 2.67Å; R237-I260 HydrophobicContact CB-CD1 4.43Å; R237-I260 HydrophobicContact CG-CD1 3.9Å; R237-H602 PolarHBondContact N-NE2 2.67Å
238	P	98	Very high	95.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.			trans	-53.4	149.9	165.4	-25.7	34.8	0	0	0	111.9	F205 F232 V256 W297	F205-P238 HydrophobicContact CZ-CB 4.33Å; F232-P238 HydrophobicContact CE1-CG 4.02Å; P238-V256 WeakPolarHBondContact CD-O 3.43Å; P238-V256 PolarHBondContact O-N 2.84Å; P238-W297 HydrophobicContact CB-CZ2 4.45Å; P238-W297 HydrophobicContact CG-CD2 3.87Å; P238-W297 HydrophobicContact CG-CE3 4.23Å; P238-W297 HydrophobicContact CG-CG 4.11Å; P238-W297 HydrophobicContact CG-CZ2 4.36Å
239	L	97.9	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	143.1	169.6	-73.5	172.5	0	0	0	110.8	W253 R254 R255 F310 A311 C313 Y314	L239-W253 HydrophobicContact CB-CE3 3.65Å; L239-W253 HydrophobicContact CB-CZ3 3.96Å; L239-W253 HydrophobicContact CD2-CB 4.38Å; L239-R254 CarbonylContact C-O 3.58Å; L239-R254 WeakPolarHBondContact CA-O 3.2Å; L239-R255 VanDerWaalsContact CD2-CD 3.49Å; L239-R255 HydrophobicContact CD2-CG 3.86Å; L239-F310 VanDerWaalsContact O-CA 3.29Å; L239-F310 WeakPolarHBondContact O-CA 3.46Å; L239-A311 HydrophobicContact CB-CB 4.46Å; L239-A311 WeakPolarHBondContact CB-O 3.35Å; L239-A311 PolarHBondContact N-O 2.99Å; L239-A311 PolarHBondContact O-N 3.16Å; L239-C313 VanDerWaalsContact CD1-C 3.4Å; L239-Y314 HydrophobicContact CD1-CD1 3.6Å; L239-Y314 HydrophobicContact CD1-CD2 3.98Å; L239-Y314 HydrophobicContact CD1-CE1 3.68Å; L239-Y314 HydrophobicContact CD1-CE2 4.04Å; L239-Y314 HydrophobicContact CD1-CG 3.74Å; L239-Y314 VanDerWaalsContact CD1-N 3.27Å; L239-Y314 HydrophobicContact CD2-CD1 4.24Å; L239-Y314 HydrophobicContact CD2-CE1 3.52Å; L239-Y314 HydrophobicContact CG-CE1 4.28Å
240	M	98.1	Very high	96.1	Very high	13 Å²	13	37.6 Å²	37.6	6%	0.064	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.5	172.6	-177.7	-80.6	-67.5	0	0	110.1	S242 W253 R254 V256 P302 V308 Y309 F310	M240-S242 PolarHBondContact SD-N 3.28Å; M240-W253 VanDerWaalsContact C-CE3 3.44Å; M240-W253 WeakPolarHBondContact O-CA 3.29Å; M240-R254 PolarHBondContact N-O 3.16Å; M240-R254 PolarHBondContact O-N 3.34Å; M240-V256 HydrophobicContact CB-CB 4.28Å; M240-V256 HydrophobicContact CB-CG1 3.82Å; M240-V256 HydrophobicContact CB-CG2 3.44Å; M240-V256 VanDerWaalsContact CB-CG2 3.44Å; M240-V256 HydrophobicContact CE-CG1 3.84Å; M240-V256 HydrophobicContact CG-CG2 4.32Å; M240-P302 HydrophobicContact CE-CG 4.39Å; M240-V308 HydrophobicContact CG-CG1 3.48Å; M240-V308 VanDerWaalsContact CG-CG1 3.48Å; M240-V308 HydrophobicContact SD-CG1 3.69Å; M240-Y309 CarbonylContact C-O 3.58Å; M240-Y309 VanDerWaalsContact CA-O 3.24Å; M240-Y309 WeakPolarHBondContact CA-O 3.26Å; M240-F310 HydrophobicContact CB-CD1 4.21Å; M240-F310 HydrophobicContact CB-CE1 3.84Å; M240-F310 HydrophobicContact CB-CZ 4.32Å; M240-F310 HydrophobicContact CG-CE1 3.9Å; M240-F310 HydrophobicContact CG-CE2 4.45Å; M240-F310 HydrophobicContact CG-CZ 3.85Å
241	Y	98.4	Very high	96.2	Very high	11 Å²	11	39 Å²	39	4%	0.043	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.4	169.4	-175.1	-81.1	0	0	0	108.3	H96 I97 E243 A246 W253 V308 Y309	H96-Y241 HydrophobicContact CB-CD2 4.06Å; H96-Y241 HydrophobicContact CB-CE2 3.69Å; H96-Y241 AromaticContact CD2-CD1 3.46Å; H96-Y241 VanDerWaalsContact CD2-CD1 3.46Å; H96-Y241 WeakPolarHBondContact CD2-CD1 3.29Å; H96-Y241 AromaticContact CD2-CD2 3.85Å; H96-Y241 AromaticContact CD2-CE1 3.44Å; H96-Y241 VanDerWaalsContact CD2-CE1 3.44Å; H96-Y241 WeakPolarHBondContact CD2-CE1 3.33Å; H96-Y241 AromaticContact CD2-CE2 3.83Å; H96-Y241 AromaticContact CD2-CG 3.67Å; H96-Y241 AromaticContact CD2-CZ 3.62Å; H96-Y241 AromaticContact CG-CE2 3.99Å; H96-Y241 AromaticContact NE2-CD1 3.76Å; H96-Y241 AromaticContact NE2-CG 3.95Å; I97-Y241 HydrophobicContact CB-CE2 4.45Å; I97-Y241 PolarHBondContact N-OH 2.98Å; Y241-E243 HydrophobicContact CE1-CG 4.24Å; Y241-A246 HydrophobicContact CE1-CB 3.92Å; Y241-A246 HydrophobicContact CE2-CB 4.08Å; Y241-A246 WeakPolarHBondContact OH-CB 3.49Å; Y241-W253 HydrophobicContact CD2-CD2 4.21Å; Y241-W253 HydrophobicContact CD2-CG 4.15Å; Y241-W253 HydrophobicContact CG-CD2 4.49Å; Y241-V308 CarbonylContact O-C 3.42Å; Y241-V308 VanDerWaalsContact O-CA 3.25Å; Y241-V308 WeakPolarHBondContact O-CA 3.3Å; Y241-Y309 HydrophobicContact CD1-CD2 4.08Å; Y241-Y309 PolarHBondContact N-O 3.38Å; Y241-Y309 PolarHBondContact O-N 3.29Å
242	S	98	Very high	96.4	Very high	2 Å²	2	39 Å²	39	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124	176.7	151.1	0	0	0	0	108.2	M240 K244 M245 A246 D306	M240-S242 PolarHBondContact SD-N 3.28Å; S242-K244 VanDerWaalsContact C-N 3.33Å; S242-K244 PolarHBondContact O-N 3.23Å; S242-M245 PolarHBondContact O-N 3.3Å; S242-M245 VanDerWaalsContact OG-CB 3.27Å; S242-M245 WeakPolarHBondContact OG-CB 3.31Å; S242-M245 PolarHBondContact OG-N 2.67Å; S242-A246 VanDerWaalsContact O-CB 3.31Å; S242-A246 WeakPolarHBondContact O-CB 3.33Å; S242-A246 PolarHBondContact O-N 2.97Å; S242-D306 VanDerWaalsContact CB-OD2 3.31Å; S242-D306 WeakPolarHBondContact CB-OD2 3.43Å; S242-D306 PolarHBondContact OG-OD2 3.29Å
243	E	97.7	Very high	96.5	Very high	49 Å²	49	39.2 Å²	39.2	23%	0.229	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-40.2	179.8	-80.5	-169.7	-142.9	0	0	112.1	Y241 A246 K247 T307 Y309	Y241-E243 HydrophobicContact CE1-CG 4.24Å; E243-A246 PolarHBondContact O-N 2.58Å; E243-K247 WeakPolarHBondContact O-CB 3.48Å; E243-K247 WeakPolarHBondContact O-CD 3.34Å; E243-K247 WeakPolarHBondContact O-CG 3.34Å; E243-K247 PolarHBondContact O-N 3.05Å; E243-K247 IonicContact OE2-NZ 3.89Å; E243-K247 PolarHBondContact OE2-NZ 3.01Å; E243-T307 HydrophobicContact CG-CG2 4.46Å; E243-T307 PolarHBondContact N-O 2.98Å; E243-T307 WeakPolarHBondContact OE1-CB 3.46Å; E243-T307 WeakPolarHBondContact OE1-CG2 3.45Å; E243-Y309 HydrophobicContact CG-CE2 4.23Å; E243-Y309 PolarHBondContact OE1-OH 2.84Å
244	K	97.2	Very high	96.7	Very high	76 Å²	76	39.5 Å²	39.5	33%	0.33	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-44.2	174.7	-73.5	177.8	-172.2	-176.4	0	112.1	S242 A246 K247 L248 Y303 P304 N305 D306	S242-K244 VanDerWaalsContact C-N 3.33Å; S242-K244 PolarHBondContact O-N 3.23Å; K244-A246 VanDerWaalsContact C-N 3.35Å; K244-A246 PolarHBondContact O-N 3.41Å; K244-K247 PolarHBondContact O-N 2.71Å; K244-L248 WeakPolarHBondContact O-CB 3.45Å; K244-L248 VanDerWaalsContact O-CG 3.26Å; K244-L248 WeakPolarHBondContact O-CG 3.41Å; K244-L248 PolarHBondContact O-N 3.34Å; K244-Y303 HydrophobicContact CB-CD2 3.54Å; K244-Y303 HydrophobicContact CB-CE2 4.09Å; K244-Y303 HydrophobicContact CB-CG 4Å; K244-Y303 HydrophobicContact CD-CG 4.23Å; K244-P304 PolarHBondContact NZ-O 3.07Å; K244-N305 WeakPolarHBondContact CE-O 3.16Å; K244-N305 VanDerWaalsContact NZ-C 3.33Å; K244-N305 PolarHBondContact NZ-O 2.7Å; K244-D306 WeakPolarHBondContact CB-OD1 3.45Å; K244-D306 HydrophobicContact CD-CB 4.04Å; K244-D306 HydrophobicContact CG-CB 4.49Å; K244-D306 VanDerWaalsContact CG-OD1 3.29Å; K244-D306 WeakPolarHBondContact CG-OD1 3.41Å; K244-D306 PolarHBondContact N-OD1 3.08Å
245	M	96.2	Very high	96.9	Very high	38 Å²	38	36 Å²	36	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-43.6	176.6	-174.7	167.8	-78.4	0	0	111.7	S242 L248 T249 R254 P302 Y303	S242-M245 PolarHBondContact O-N 3.3Å; S242-M245 VanDerWaalsContact OG-CB 3.27Å; S242-M245 WeakPolarHBondContact OG-CB 3.31Å; S242-M245 PolarHBondContact OG-N 2.67Å; M245-L248 PolarHBondContact O-N 3Å; M245-T249 HydrophobicContact CG-CG2 4.38Å; M245-T249 WeakPolarHBondContact O-CB 3.34Å; M245-T249 PolarHBondContact O-N 2.84Å; M245-T249 PolarHBondContact O-OG1 2.91Å; M245-R254 HydrophobicContact SD-CG 4.18Å; M245-P302 HydrophobicContact CE-CB 3.67Å; M245-P302 HydrophobicContact CE-CG 4.24Å; M245-Y303 HydrophobicContact CB-CE2 3.97Å
246	A	97.2	Very high	97.1	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-40.5	179.3	0	0	0	0	0	112.4	I97 Y241 S242 E243 K244 G250 I251	I97-A246 HydrophobicContact CD1-CB 4.19Å; Y241-A246 HydrophobicContact CE1-CB 3.92Å; Y241-A246 HydrophobicContact CE2-CB 4.08Å; Y241-A246 WeakPolarHBondContact OH-CB 3.49Å; S242-A246 VanDerWaalsContact O-CB 3.31Å; S242-A246 WeakPolarHBondContact O-CB 3.33Å; S242-A246 PolarHBondContact O-N 2.97Å; E243-A246 PolarHBondContact O-N 2.58Å; K244-A246 VanDerWaalsContact C-N 3.35Å; K244-A246 PolarHBondContact O-N 3.41Å; A246-G250 VanDerWaalsContact O-CA 3.25Å; A246-G250 WeakPolarHBondContact O-CA 3.49Å; A246-G250 PolarHBondContact O-N 3.11Å; A246-I251 VanDerWaalsContact CA-O 3.3Å; A246-I251 WeakPolarHBondContact CA-O 3.05Å
247	K	96.9	Very high	97	Very high	154 Å²	154	37.6 Å²	37.6	67%	0.67	19%	0.187	S	C	*	.	H	α-helix	trans	-66.2	-39.1	174.7	-73.2	162.5	-179.2	160.5	0	112.5	E243 K244	E243-K247 WeakPolarHBondContact O-CB 3.48Å; E243-K247 WeakPolarHBondContact O-CD 3.34Å; E243-K247 WeakPolarHBondContact O-CG 3.34Å; E243-K247 PolarHBondContact O-N 3.05Å; E243-K247 IonicContact OE2-NZ 3.89Å; E243-K247 PolarHBondContact OE2-NZ 3.01Å; K244-K247 PolarHBondContact O-N 2.71Å
248	L	96.9	Very high	97	Very high	123 Å²	123	37.6 Å²	37.6	64%	0.644	20%	0.197	S	C	*	.	H	α-helix	trans	-82.7	-31	-176.3	-69.6	169.8	0	0	0	114.5	K244 M245 Y303	K244-L248 WeakPolarHBondContact O-CB 3.45Å; K244-L248 VanDerWaalsContact O-CG 3.26Å; K244-L248 WeakPolarHBondContact O-CG 3.41Å; K244-L248 PolarHBondContact O-N 3.34Å; M245-L248 PolarHBondContact O-N 3Å; L248-Y303 HydrophobicContact CD1-CE1 4.05Å; L248-Y303 HydrophobicContact CD1-CE2 4.25Å
249	T	95.7	Very high	96.9	Very high	67 Å²	67	38.9 Å²	38.9	41%	0.411	20%	0.203	S	C	.	.	H	α-helix	trans	-115.6	-13.7	-172.9	67.5	0	0	0	0	114.1	M245 I251	M245-T249 HydrophobicContact CG-CG2 4.38Å; M245-T249 WeakPolarHBondContact O-CB 3.34Å; M245-T249 PolarHBondContact O-N 2.84Å; M245-T249 PolarHBondContact O-OG1 2.91Å; T249-I251 PolarHBondContact O-N 3.45Å; T249-I251 VanDerWaalsContact O-N 3.16Å; T249-I251 WeakPolarHBondContact OG1-CB 3.33Å; T249-I251 PolarHBondContact OG1-N 3.15Å; T249-I251 VanDerWaalsContact OG1-N 3.13Å
250	G	96	Very high	96.9	Very high	25 Å²	25	39.1 Å²	39.1	26%	0.258	21%	0.205	S	C	.	.	S	Bend	trans	66.4	2.6	-168.2	0	0	0	0	0	114.6	I97 K99 A246	I97-G250 WeakPolarHBondContact CG2-O 3.29Å; K99-G250 WeakPolarHBondContact CB-O 3.27Å; K99-G250 WeakPolarHBondContact CD-O 3.46Å; A246-G250 VanDerWaalsContact O-CA 3.25Å; A246-G250 WeakPolarHBondContact O-CA 3.49Å; A246-G250 PolarHBondContact O-N 3.11Å
251	I	94.2	Very high	96.8	Very high	34 Å²	34	40 Å²	40	17%	0.174	21%	0.209	C	C	.	.			trans	-92.2	129.7	176.8	-56.6	171.9	0	0	0	108.8	P101 A246 T249	P101-I251 HydrophobicContact CB-CG2 4.18Å; A246-I251 VanDerWaalsContact CA-O 3.3Å; A246-I251 WeakPolarHBondContact CA-O 3.05Å; T249-I251 PolarHBondContact O-N 3.45Å; T249-I251 VanDerWaalsContact O-N 3.16Å; T249-I251 WeakPolarHBondContact OG1-CB 3.33Å; T249-I251 PolarHBondContact OG1-N 3.15Å; T249-I251 VanDerWaalsContact OG1-N 3.13Å
252	G	96.6	Very high	96.7	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	21%	0.21	C	C	.	.			trans	-88.3	-117.4	-179.1	0	0	0	0	0	113.7	I97 K99	I97-G252 WeakPolarHBondContact O-CA 3.17Å; K99-G252 PolarHBondContact O-N 2.96Å
253	W	97.8	Very high	96.5	Very high	11 Å²	11	41.1 Å²	41.1	4%	0.042	21%	0.214	C	C	.	.			trans	-60.2	135.5	-175.9	-72.2	102.3	0	0	0	113.4	H96 Y206 L239 M240 Y241 A311 Y314 P315	H96-W253 AromaticContact CE1-CZ2 3.39Å; H96-W253 WeakPolarHBondContact CE1-CZ2 3.14Å; H96-W253 AromaticContact CG-NE1 3.95Å; H96-W253 AromaticContact ND1-CE2 3.74Å; H96-W253 AromaticContact ND1-CZ2 3.35Å; H96-W253 VanDerWaalsContact ND1-CZ2 3.35Å; H96-W253 WeakPolarHBondContact ND1-CZ2 3.31Å; H96-W253 AromaticContact ND1-NE1 3.68Å; Y206-W253 HydrophobicContact CD2-CH2 4.42Å; Y206-W253 HydrophobicContact CE2-CH2 4.1Å; Y206-W253 HydrophobicContact CE2-CZ2 4.3Å; L239-W253 HydrophobicContact CB-CE3 3.65Å; L239-W253 HydrophobicContact CB-CZ3 3.96Å; L239-W253 HydrophobicContact CD2-CB 4.38Å; M240-W253 VanDerWaalsContact C-CE3 3.44Å; M240-W253 WeakPolarHBondContact O-CA 3.29Å; Y241-W253 HydrophobicContact CD2-CD2 4.21Å; Y241-W253 HydrophobicContact CD2-CG 4.15Å; Y241-W253 HydrophobicContact CG-CD2 4.49Å; W253-A311 HydrophobicContact CH2-CB 3.6Å; W253-A311 HydrophobicContact CZ2-CB 4.4Å; W253-A311 HydrophobicContact CZ3-CB 3.81Å; W253-Y314 HydrophobicContact CB-CD1 3.71Å; W253-Y314 HydrophobicContact CB-CE1 3.72Å; W253-Y314 AromaticContact CG-CD1 3.91Å; W253-Y314 HydrophobicContact CG-CD1 3.91Å; W253-Y314 HydrophobicContact CG-CE1 4.41Å; W253-P315 HydrophobicContact CH2-CG 4.07Å; W253-P315 HydrophobicContact CZ2-CG 3.58Å
254	R	96.7	Very high	96.1	Very high	72 Å²	72	43.9 Å²	43.9	27%	0.272	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146	178.1	-55.4	-57.5	-54.5	-102.3	-0.7	111.5	E105 L239 M240 M245 V256	E105-R254 IonicContact OE1-CZ 3.28Å; E105-R254 VanDerWaalsContact OE1-CZ 3.3Å; E105-R254 IonicContact OE1-NE 3.6Å; E105-R254 PolarHBondContact OE1-NE 3.05Å; E105-R254 IonicContact OE1-NH2 2.72Å; E105-R254 PolarHBondContact OE1-NH2 3.26Å; L239-R254 CarbonylContact C-O 3.58Å; L239-R254 WeakPolarHBondContact CA-O 3.2Å; M240-R254 PolarHBondContact N-O 3.16Å; M240-R254 PolarHBondContact O-N 3.34Å; M245-R254 HydrophobicContact SD-CG 4.18Å; R254-V256 HydrophobicContact CB-CG1 4.1Å
255	R	97.4	Very high	95.3	Very high	12 Å²	12	40.8 Å²	40.8	5%	0.045	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109	173	-69.7	-76	-175.1	175.5	6.8	110.3	E105 R237 L239 Y314 F589 H602	E105-R255 HydrophobicContact CB-CB 4.02Å; E105-R255 HydrophobicContact CB-CG 4.24Å; E105-R255 VanDerWaalsContact CD-N 3.35Å; E105-R255 PolarHBondContact OE1-N 3.23Å; E105-R255 VanDerWaalsContact OE2-CB 3.26Å; E105-R255 WeakPolarHBondContact OE2-CB 3.39Å; E105-R255 WeakPolarHBondContact OE2-CG 3.44Å; E105-R255 PolarHBondContact OE2-N 2.98Å; R237-R255 HydrophobicContact CB-CB 4Å; R237-R255 WeakPolarHBondContact O-CD 3.44Å; R237-R255 PolarHBondContact O-NH1 3.26Å; L239-R255 VanDerWaalsContact CD2-CD 3.49Å; L239-R255 HydrophobicContact CD2-CG 3.86Å; R255-Y314 PolarHBondContact NE-OH 3.24Å; R255-F589 PolarHBondContact NH1-O 2.89Å; R255-F589 PolarHBondContact NH2-O 2.89Å; R255-H602 VanDerWaalsContact CD-CD2 3.46Å; R255-H602 WeakPolarHBondContact CD-CD2 3.25Å; R255-H602 HydrophobicContact CG-CB 3.84Å; R255-H602 PolarHBondContact NE-CD2 3.11Å
256	V	96.9	Very high	94.1	Very high	26 Å²	26	42.9 Å²	42.9	16%	0.158	22%	0.222	C	C	.	.			trans	-119.5	164.7	-169.5	-58.3	0	0	0	0	114.3	R237 P238 M240 R254 F310	R237-V256 WeakPolarHBondContact CB-O 3.43Å; P238-V256 WeakPolarHBondContact CD-O 3.43Å; P238-V256 PolarHBondContact O-N 2.84Å; M240-V256 HydrophobicContact CB-CB 4.28Å; M240-V256 HydrophobicContact CB-CG1 3.82Å; M240-V256 HydrophobicContact CB-CG2 3.44Å; M240-V256 VanDerWaalsContact CB-CG2 3.44Å; M240-V256 HydrophobicContact CE-CG1 3.84Å; M240-V256 HydrophobicContact CG-CG2 4.32Å; R254-V256 HydrophobicContact CB-CG1 4.1Å; V256-F310 HydrophobicContact CG2-CE1 3.98Å
257	G	96.5	Very high	92	Very high	12 Å²	12	46.4 Å²	46.4	12%	0.124	24%	0.235	C	C	.	.			trans	108.6	159.2	168.9	0	0	0	0	0	114.7	R237 K298	R237-G257 PolarHBondContact NH1-O 2.67Å; G257-K298 CarbonylContact C-O 3.43Å; G257-K298 WeakPolarHBondContact CA-O 3.34Å
258	S	96.6	Very high	90	Very high	60 Å²	60	39.9 Å²	39.9	42%	0.42	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	173.5	174	57.4	0	0	0	0	109.1	I260 K298	S258-I260 VanDerWaalsContact C-N 3.26Å; S258-I260 PolarHBondContact O-N 3.43Å; S258-K298 PolarHBondContact N-O 3.27Å; S258-K298 PolarHBondContact O-N 2.95Å
259	D	96.8	Very high	87.7	Confident	26 Å²	26	36.3 Å²	36.3	14%	0.139	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.7	47.1	-177.1	-173.8	34.5	0	0	0	111.1	Y108 E114 I115 R219 K298	Y108-D259 PolarHBondContact OH-N 3.29Å; E114-D259 VanDerWaalsContact CA-OD1 3.25Å; E114-D259 WeakPolarHBondContact CA-OD1 3.4Å; I115-D259 PolarHBondContact N-OD1 2.87Å; R219-D259 IonicContact CZ-OD2 3.22Å; R219-D259 IonicContact NH1-OD2 2.82Å; R219-D259 PolarHBondContact NH1-OD2 3.17Å; R219-D259 IonicContact NH2-OD2 2.71Å; R219-D259 PolarHBondContact NH2-OD2 2.98Å; D259-K298 HydrophobicContact CB-CB 4.26Å; D259-K298 HydrophobicContact CB-CD 4.46Å
260	I	97.4	Very high	85.3	Confident	6 Å²	6	35.7 Å²	35.7	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	112.7	-171.1	-50.9	-174.2	0	0	0	109.7	Y108 R237 S258 L295 T296 W297	Y108-I260 HydrophobicContact CD1-CB 3.97Å; Y108-I260 HydrophobicContact CD1-CD1 4.46Å; Y108-I260 HydrophobicContact CD1-CG1 4.3Å; Y108-I260 HydrophobicContact CD2-CD1 4.21Å; Y108-I260 HydrophobicContact CD2-CG1 4.27Å; Y108-I260 HydrophobicContact CE1-CB 4.03Å; Y108-I260 HydrophobicContact CE1-CG1 4.45Å; Y108-I260 HydrophobicContact CE2-CG1 4.43Å; Y108-I260 HydrophobicContact CG-CB 4.37Å; Y108-I260 HydrophobicContact CG-CD1 4.02Å; Y108-I260 HydrophobicContact CG-CG1 4.22Å; R237-I260 HydrophobicContact CB-CD1 4.43Å; R237-I260 HydrophobicContact CG-CD1 3.9Å; S258-I260 VanDerWaalsContact C-N 3.26Å; S258-I260 PolarHBondContact O-N 3.43Å; I260-L295 HydrophobicContact CG2-CD1 4.06Å; I260-T296 WeakPolarHBondContact CA-O 3.44Å; I260-W297 HydrophobicContact CG1-CB 3.96Å
261	N	96.1	Very high	82.8	Confident	30 Å²	30	36.7 Å²	36.7	16%	0.16	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.2	176.9	-146.6	-31.7	0	0	0	111.4	E114 Q116 Y263 L295 T296	E114-N261 HydrophobicContact CB-CB 3.91Å; E114-N261 WeakPolarHBondContact CB-ND2 3.34Å; E114-N261 PolarHBondContact O-ND2 3.08Å; Q116-N261 VanDerWaalsContact CG-ND2 3.31Å; Q116-N261 WeakPolarHBondContact CG-ND2 3.3Å; Q116-N261 PolarHBondContact NE2-ND2 3.3Å; N261-Y263 HydrophobicContact CB-CD1 4.13Å; N261-L295 WeakPolarHBondContact O-CA 3.01Å; N261-T296 HydrophobicContact CB-CG2 3.8Å; N261-T296 PolarHBondContact N-O 3.36Å; N261-T296 VanDerWaalsContact N-O 3.08Å; N261-T296 PolarHBondContact O-N 2.91Å
262	Y	95.3	Very high	80.4	Confident	16 Å²	16	42.6 Å²	42.6	6%	0.063	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	108.9	171.5	-172.3	-84.9	0	0	0	109.3	F225 K227 F232 Y293 S294 L295	F225-Y262 HydrophobicContact CB-CE2 4.17Å; F225-Y262 WeakPolarHBondContact CB-OH 3.45Å; F225-Y262 HydrophobicContact CD1-CE2 4.4Å; F225-Y262 HydrophobicContact CD2-CE2 4.01Å; F225-Y262 AromaticContact CG-CE2 3.95Å; F225-Y262 HydrophobicContact CG-CE2 3.95Å; K227-Y262 PolarHBondContact O-OH 3.43Å; F232-Y262 HydrophobicContact CB-CD2 4.23Å; F232-Y262 HydrophobicContact CB-CG 4.34Å; F232-Y262 HydrophobicContact CD2-CD2 4.14Å; Y262-Y293 HydrophobicContact CE1-CG 4.39Å; Y262-S294 CarbonylContact C-O 3.31Å; Y262-S294 VanDerWaalsContact CA-O 3.28Å; Y262-S294 WeakPolarHBondContact CA-O 3.49Å; Y262-L295 HydrophobicContact CD2-CB 3.99Å; Y262-L295 HydrophobicContact CD2-CD1 4.2Å; Y262-L295 HydrophobicContact CE2-CB 4.47Å
263	Y	93.6	Very high	77.8	Confident	22 Å²	22	50.2 Å²	50.2	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	164.7	-163.1	62.3	-78.6	0	0	0	112.5	Q116 P117 N261 Y293 S294 T296	Q116-Y263 HydrophobicContact CB-CD1 4.45Å; Q116-Y263 HydrophobicContact CB-CD2 4.04Å; Q116-Y263 HydrophobicContact CB-CE1 4.35Å; Q116-Y263 HydrophobicContact CB-CE2 3.91Å; Q116-Y263 HydrophobicContact CB-CG 4.31Å; Q116-Y263 HydrophobicContact CG-CD1 3.98Å; Q116-Y263 HydrophobicContact CG-CD2 4.01Å; Q116-Y263 HydrophobicContact CG-CE1 4.32Å; Q116-Y263 HydrophobicContact CG-CE2 4.34Å; Q116-Y263 HydrophobicContact CG-CG 3.82Å; P117-Y263 VanDerWaalsContact CD-OH 3.28Å; P117-Y263 WeakPolarHBondContact CD-OH 3.39Å; P117-Y263 PolarHBondContact O-OH 3.12Å; N261-Y263 HydrophobicContact CB-CD1 4.13Å; Y263-Y293 CarbonylContact O-C 3.53Å; Y263-Y293 VanDerWaalsContact O-CA 3.3Å; Y263-Y293 WeakPolarHBondContact O-CA 3.27Å; Y263-S294 WeakPolarHBondContact CD1-O 3.27Å; Y263-S294 VanDerWaalsContact CE1-CB 3.48Å; Y263-S294 PolarHBondContact N-O 3.14Å; Y263-S294 PolarHBondContact O-N 3.19Å; Y263-T296 HydrophobicContact CE1-CG2 4.19Å
264	Q	90	Very high	75.3	Confident	106 Å²	106	56.8 Å²	56.8	50%	0.495	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.9	178.1	-170.8	169.5	12.8	0	0	111.1	H291 Y293	Q264-H291 PolarHBondContact NE2-ND1 3.26Å; Q264-H291 VanDerWaalsContact NE2-ND1 3.19Å; Q264-Y293 HydrophobicContact CB-CD1 3.96Å; Q264-Y293 HydrophobicContact CB-CE1 3.7Å; Q264-Y293 HydrophobicContact CG-CD1 4.15Å; Q264-Y293 HydrophobicContact CG-CE1 3.59Å
265	T	81.3	Confident	73.2	Confident	12 Å²	12	56.6 Å²	56.6	7%	0.074	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-95.4	167.6	178.7	-42.1	0	0	0	0	110.1	V119 V223 F277 T292 Y293 S294	V119-T265 HydrophobicContact CB-CG2 4.33Å; V119-T265 HydrophobicContact CG2-CG2 3.71Å; V223-T265 PolarHBondContact O-OG1 2.89Å; T265-F277 HydrophobicContact CG2-CD1 4.14Å; T265-F277 HydrophobicContact CG2-CE1 3.55Å; T265-F277 HydrophobicContact CG2-CZ 4.17Å; T265-T292 WeakPolarHBondContact CA-O 3.45Å; T265-T292 VanDerWaalsContact CB-O 3.25Å; T265-T292 WeakPolarHBondContact CB-O 3.38Å; T265-T292 PolarHBondContact N-O 3.33Å; T265-T292 PolarHBondContact OG1-O 3.32Å; T265-Y293 VanDerWaalsContact OG1-C 3.27Å; T265-Y293 WeakPolarHBondContact OG1-CA 3.35Å; T265-S294 WeakPolarHBondContact OG1-CB 3.28Å; T265-S294 PolarHBondContact OG1-N 2.82Å; T265-S294 VanDerWaalsContact OG1-N 3.14Å; T265-S294 PolarHBondContact OG1-OG 2.94Å
266	K	69.5	Low	71	Confident	82 Å²	82	61.7 Å²	61.7	36%	0.357	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-65.6	165.5	172.3	-62.7	176.3	178.3	-178.7	0	111.2	F277 N279	K266-F277 HydrophobicContact CB-CD1 4.48Å; K266-N279 VanDerWaalsContact CD-OD1 3.29Å; K266-N279 WeakPolarHBondContact CD-OD1 3.47Å; K266-N279 VanDerWaalsContact CE-OD1 3.27Å; K266-N279 WeakPolarHBondContact CE-OD1 3.4Å; K266-N279 PolarHBondContact NZ-OD1 2.64Å
267	Y	54.9	Low	68.9	Low	77 Å²	77	62.7 Å²	62.7	30%	0.302	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	135.5	-176.3	-61.9	-92.5	0	0	0	111.8	F277 K278 L289 H291	Y267-F277 CarbonylContact O-C 3.54Å; Y267-F277 VanDerWaalsContact O-CA 3.3Å; Y267-F277 WeakPolarHBondContact O-CA 3.36Å; Y267-K278 PolarHBondContact O-N 2.9Å; Y267-L289 HydrophobicContact CD1-CB 4.23Å; Y267-L289 HydrophobicContact CD1-CD1 4.32Å; Y267-H291 AromaticContact CE1-CE1 3.39Å; Y267-H291 WeakPolarHBondContact CE1-CE1 3.42Å; Y267-H291 AromaticContact CE1-ND1 3.76Å; Y267-H291 AromaticContact CZ-CE1 3.88Å
268	M	54.7	Low	66.6	Low	17 Å²	17	66 Å²	66	8%	0.084	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.7	169.2	-77.7	178.5	55.9	0	0	111.3	N224 L275 F277 L289 H290 T292	N224-M268 HydrophobicContact CB-SD 4.24Å; M268-L275 HydrophobicContact CE-CB 4.36Å; M268-L275 HydrophobicContact CE-CD2 3.71Å; M268-F277 HydrophobicContact CG-CD1 3.45Å; M268-F277 VanDerWaalsContact CG-CD1 3.45Å; M268-F277 HydrophobicContact CG-CE1 3.25Å; M268-F277 HydrophobicContact CG-CG 4.24Å; M268-F277 HydrophobicContact CG-CZ 3.89Å; M268-F277 HydrophobicContact SD-CD1 4.41Å; M268-F277 HydrophobicContact SD-CE1 3.63Å; M268-F277 HydrophobicContact SD-CZ 3.78Å; M268-L289 WeakPolarHBondContact O-CD2 3.42Å; M268-H290 PolarHBondContact N-O 3.26Å; M268-T292 HydrophobicContact CG-CG2 4.34Å; M268-T292 HydrophobicContact SD-CG2 3.6Å; M268-T292 VanDerWaalsContact SD-CG2 3.6Å
269	E	47.7	Very low	64.2	Low	47 Å²	47	68.1 Å²	68.1	22%	0.22	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.6	173.1	-167.1	175.1	142.1	0	0	110.6	A271 Q276 K278 L289	E269-A271 PolarHBondContact O-N 3.14Å; E269-Q276 PolarHBondContact N-O 2.84Å; E269-K278 IonicContact OE1-NZ 2.66Å; E269-K278 VanDerWaalsContact OE2-CD 3.3Å; E269-K278 WeakPolarHBondContact OE2-CD 3.21Å; E269-K278 VanDerWaalsContact OE2-CE 3.22Å; E269-K278 WeakPolarHBondContact OE2-CE 3.5Å; E269-K278 IonicContact OE2-NZ 2.8Å; E269-K278 PolarHBondContact OE2-NZ 2.94Å; E269-L289 HydrophobicContact CB-CD2 3.74Å; E269-L289 HydrophobicContact CG-CD2 4.05Å
270	S	46.3	Very low	61.6	Low	54 Å²	54	75.2 Å²	75.2	38%	0.378	37%	0.371	S	S	.	.			trans	-92.1	63.4	179.1	-71.7	0	0	0	0	112.3
271	A	42.3	Very low	59	Low	47 Å²	47	77.7 Å²	77.7	39%	0.388	39%	0.387	S	S	.	.			trans	-90	133.8	170.3	0	0	0	0	0	110.8	E269 N273 K274	E269-A271 PolarHBondContact O-N 3.14Å; A271-N273 VanDerWaalsContact C-N 3.28Å; A271-N273 PolarHBondContact O-N 3.03Å; A271-K274 PolarHBondContact O-N 2.94Å; A271-K274 VanDerWaalsContact O-N 3.1Å
272	D	43.4	Very low	56.8	Low	158 Å²	158	83.5 Å²	83.5	85%	0.845	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.9	47.4	167.4	-58.3	-29.3	0	0	0	117	K274	D272-K274 PolarHBondContact O-N 2.96Å; D272-K274 VanDerWaalsContact O-N 3.11Å
273	N	43.4	Very low	54.6	Low	161 Å²	161	92 Å²	92	86%	0.861	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	16.9	176.3	-62.1	-10.8	0	0	0	115.9	A271	A271-N273 VanDerWaalsContact C-N 3.28Å; A271-N273 PolarHBondContact O-N 3.03Å
274	K	44.6	Very low	52.5	Low	150 Å²	150	98.4 Å²	98.4	65%	0.652	49%	0.487	S	S	*	.			trans	-107.5	133	171.6	-69.7	-166.7	174.4	-167.6	0	111.1	A271 D272 Q276	A271-K274 PolarHBondContact O-N 2.94Å; A271-K274 VanDerWaalsContact O-N 3.1Å; D272-K274 PolarHBondContact O-N 2.96Å; D272-K274 VanDerWaalsContact O-N 3.11Å; K274-Q276 PolarHBondContact O-N 2.99Å
275	L	52.4	Low	50.3	Low	67 Å²	67	95.6 Å²	95.6	35%	0.351	48%	0.475	S	S	.	.			trans	-84.8	98.9	179.7	-57.7	173.4	0	0	0	109.2	Y191 M268	Y191-L275 HydrophobicContact CD1-CD1 3.88Å; Y191-L275 HydrophobicContact CE1-CB 4.35Å; Y191-L275 HydrophobicContact CE1-CD1 4.31Å; M268-L275 HydrophobicContact CE-CB 4.36Å; M268-L275 HydrophobicContact CE-CD2 3.71Å
276	Q	51	Low	48.6	Very low	119 Å²	119	100.3 Å²	100.3	56%	0.556	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.7	177.1	-68.2	-172.3	-12.2	0	0	111.9	E269 K274	E269-Q276 PolarHBondContact N-O 2.84Å; K274-Q276 PolarHBondContact O-N 2.99Å
277	F	53.8	Low	47.5	Very low	48 Å²	48	101.4 Å²	101.4	21%	0.211	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142	177.7	-66.9	-85.4	0	0	0	110.9	V119 Y191 V223 T265 K266 Y267 M268	V119-F277 HydrophobicContact CG1-CD2 3.72Å; V119-F277 HydrophobicContact CG1-CE1 4.42Å; V119-F277 HydrophobicContact CG1-CE2 3.35Å; V119-F277 HydrophobicContact CG1-CG 4.41Å; V119-F277 HydrophobicContact CG1-CZ 3.76Å; Y191-F277 HydrophobicContact CE1-CE2 4.04Å; Y191-F277 HydrophobicContact CE1-CZ 4.43Å; V223-F277 HydrophobicContact CB-CZ 4.29Å; V223-F277 HydrophobicContact CG2-CE2 4.34Å; V223-F277 HydrophobicContact CG2-CZ 4Å; T265-F277 HydrophobicContact CG2-CD1 4.14Å; T265-F277 HydrophobicContact CG2-CE1 3.55Å; T265-F277 HydrophobicContact CG2-CZ 4.17Å; K266-F277 HydrophobicContact CB-CD1 4.48Å; Y267-F277 CarbonylContact O-C 3.54Å; Y267-F277 VanDerWaalsContact O-CA 3.3Å; Y267-F277 WeakPolarHBondContact O-CA 3.36Å; M268-F277 HydrophobicContact CG-CD1 3.45Å; M268-F277 VanDerWaalsContact CG-CD1 3.45Å; M268-F277 HydrophobicContact CG-CE1 3.25Å; M268-F277 HydrophobicContact CG-CG 4.24Å; M268-F277 HydrophobicContact CG-CZ 3.89Å; M268-F277 HydrophobicContact SD-CD1 4.41Å; M268-F277 HydrophobicContact SD-CE1 3.63Å; M268-F277 HydrophobicContact SD-CZ 3.78Å
278	K	48	Very low	47.2	Very low	81 Å²	81	103 Å²	103	35%	0.352	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.6	173.8	-78.8	-174.3	179.2	171.2	0	111.9	Y267 E269	Y267-K278 PolarHBondContact O-N 2.9Å; E269-K278 IonicContact OE1-NZ 2.66Å; E269-K278 VanDerWaalsContact OE2-CD 3.3Å; E269-K278 WeakPolarHBondContact OE2-CD 3.21Å; E269-K278 VanDerWaalsContact OE2-CE 3.22Å; E269-K278 WeakPolarHBondContact OE2-CE 3.5Å; E269-K278 IonicContact OE2-NZ 2.8Å; E269-K278 PolarHBondContact OE2-NZ 2.94Å
279	N	45.2	Very low	47	Very low	105 Å²	105	103.9 Å²	103.9	56%	0.561	54%	0.535	S	S	*	.	S	Bend	trans	-70.9	-27.9	-177.6	-79.9	-37.3	0	0	0	113.9	K266	K266-N279 VanDerWaalsContact CD-OD1 3.29Å; K266-N279 WeakPolarHBondContact CD-OD1 3.47Å; K266-N279 VanDerWaalsContact CE-OD1 3.27Å; K266-N279 WeakPolarHBondContact CE-OD1 3.4Å; K266-N279 PolarHBondContact NZ-OD1 2.64Å
280	K	42.7	Very low	47.8	Very low	174 Å²	174	105.5 Å²	105.5	76%	0.757	54%	0.543	S	S	*	.	S	Bend	trans	-148.9	150.7	175.2	-70.3	-174	179.9	174.6	0	111.5
281	P	43.3	Very low	49	Very low	58 Å²	58	107.2 Å²	107.2	38%	0.377	54%	0.544	S	S	.	.			trans	-71.5	139.3	168.2	30.6	-34.6	0	0	0	111.2	L289	P281-L289 HydrophobicContact CB-CD1 3.62Å
282	Q	48.6	Very low	51.1	Low	152 Å²	152	105.5 Å²	105.5	71%	0.71	53%	0.529	S	S	*	.			trans	-75.4	146.5	159.9	-75	174.3	-77.6	0	0	109.2	D284 D285	Q282-D284 PolarHBondContact O-N 2.8Å; Q282-D284 VanDerWaalsContact O-N 3.08Å; Q282-D285 PolarHBondContact O-N 3.3Å
283	K	49.1	Very low	53.5	Low	195 Å²	195	99.3 Å²	99.3	85%	0.848	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.1	-167.4	-81	-173.7	170.8	-176.8	0	114.5
284	D	49.3	Very low	56	Low	157 Å²	157	91.6 Å²	91.6	84%	0.84	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	0.8	-168.3	-50.1	-56.1	0	0	0	114.8	Q282	Q282-D284 PolarHBondContact O-N 2.8Å; Q282-D284 VanDerWaalsContact O-N 3.08Å
285	D	44.8	Very low	58.5	Low	47 Å²	47	84.5 Å²	84.5	25%	0.251	42%	0.422	S	S	.	.			trans	-129.3	30.1	-174.9	-143	-3.5	0	0	0	115.8	Q282 S287 K288	Q282-D285 PolarHBondContact O-N 3.3Å; D285-S287 PolarHBondContact O-N 3.3Å; D285-K288 PolarHBondContact O-N 2.83Å; D285-K288 VanDerWaalsContact OD1-CG 3.31Å; D285-K288 WeakPolarHBondContact OD1-CG 3.42Å; D285-K288 IonicContact OD1-NZ 3Å; D285-K288 PolarHBondContact OD1-NZ 3Å; D285-K288 IonicContact OD2-NZ 2.71Å; D285-K288 PolarHBondContact OD2-NZ 2.8Å
286	T	44.8	Very low	60.6	Low	111 Å²	111	81.3 Å²	81.3	68%	0.681	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-16	174.9	53.6	0	0	0	0	114.2
287	S	47.3	Very low	62.9	Low	105 Å²	105	75.6 Å²	75.6	73%	0.734	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.2	179.9	73.5	0	0	0	0	115.6	D285	D285-S287 PolarHBondContact O-N 3.3Å
288	K	48.7	Very low	64.9	Low	111 Å²	111	76.3 Å²	76.3	48%	0.483	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-21	-174	-69.8	-167.4	-163.3	82	0	115.6	D285 H290	D285-K288 PolarHBondContact O-N 2.83Å; D285-K288 VanDerWaalsContact OD1-CG 3.31Å; D285-K288 WeakPolarHBondContact OD1-CG 3.42Å; D285-K288 IonicContact OD1-NZ 3Å; D285-K288 PolarHBondContact OD1-NZ 3Å; D285-K288 IonicContact OD2-NZ 2.71Å; D285-K288 PolarHBondContact OD2-NZ 2.8Å; K288-H290 PolarHBondContact O-CE1 2.92Å; K288-H290 PolarHBondContact O-ND1 3.14Å
289	L	51	Low	67.2	Low	35 Å²	35	73.1 Å²	73.1	18%	0.183	37%	0.368	C	S	.	.			trans	-82.5	144.3	-171.6	-64.4	169.5	0	0	0	111.5	Y267 M268 E269 P281	Y267-L289 HydrophobicContact CD1-CB 4.23Å; Y267-L289 HydrophobicContact CD1-CD1 4.32Å; M268-L289 WeakPolarHBondContact O-CD2 3.42Å; E269-L289 HydrophobicContact CB-CD2 3.74Å; E269-L289 HydrophobicContact CG-CD2 4.05Å; P281-L289 HydrophobicContact CB-CD1 3.62Å
290	H	64.1	Low	69.7	Low	81 Å²	81	74 Å²	74	38%	0.375	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-119.9	136.2	176.3	-47.8	-22.3	0	0	0	108.7	M268 K288	M268-H290 PolarHBondContact N-O 3.26Å; K288-H290 PolarHBondContact O-CE1 2.92Å; K288-H290 PolarHBondContact O-ND1 3.14Å
291	H	72.1	Confident	72.3	Confident	89 Å²	89	66 Å²	66	41%	0.412	33%	0.332	S	S	.	.			trans	-70.5	137.3	163.9	-65.3	-56.5	0	0	0	109.1	Q264 Y267 Y293	Q264-H291 PolarHBondContact NE2-ND1 3.26Å; Q264-H291 VanDerWaalsContact NE2-ND1 3.19Å; Y267-H291 AromaticContact CE1-CE1 3.39Å; Y267-H291 WeakPolarHBondContact CE1-CE1 3.42Å; Y267-H291 AromaticContact CE1-ND1 3.76Å; Y267-H291 AromaticContact CZ-CE1 3.88Å; H291-Y293 HydrophobicContact CB-CE2 3.97Å
292	T	86.4	Confident	74.8	Confident	11 Å²	11	65 Å²	65	7%	0.067	33%	0.325	C	S	.	.			trans	-127.5	161.2	173.2	51.1	0	0	0	0	109.9	F225 T265 M268	F225-T292 WeakPolarHBondContact O-CA 3.04Å; T265-T292 WeakPolarHBondContact CA-O 3.45Å; T265-T292 VanDerWaalsContact CB-O 3.25Å; T265-T292 WeakPolarHBondContact CB-O 3.38Å; T265-T292 PolarHBondContact N-O 3.33Å; T265-T292 PolarHBondContact OG1-O 3.32Å; M268-T292 HydrophobicContact CG-CG2 4.34Å; M268-T292 HydrophobicContact SD-CG2 3.6Å; M268-T292 VanDerWaalsContact SD-CG2 3.6Å
293	Y	92.6	Very high	77.1	Confident	28 Å²	28	61 Å²	61	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142.4	-169.3	-61.4	-89.6	0	0	0	109.8	V223 F225 K227 S228 Y262 Y263 Q264 T265 H291	V223-Y293 CarbonylContact C-O 3.54Å; F225-Y293 VanDerWaalsContact CB-O 3.29Å; F225-Y293 WeakPolarHBondContact CB-O 3.23Å; F225-Y293 PolarHBondContact N-O 3.03Å; F225-Y293 PolarHBondContact O-N 2.69Å; K227-Y293 VanDerWaalsContact O-CD2 3.22Å; K227-Y293 WeakPolarHBondContact O-CD2 3.26Å; K227-Y293 VanDerWaalsContact O-CG 3.3Å; S228-Y293 VanDerWaalsContact CA-CZ 3.43Å; Y262-Y293 HydrophobicContact CE1-CG 4.39Å; Y263-Y293 CarbonylContact O-C 3.53Å; Y263-Y293 VanDerWaalsContact O-CA 3.3Å; Y263-Y293 WeakPolarHBondContact O-CA 3.27Å; Q264-Y293 HydrophobicContact CB-CD1 3.96Å; Q264-Y293 HydrophobicContact CB-CE1 3.7Å; Q264-Y293 HydrophobicContact CG-CD1 4.15Å; Q264-Y293 HydrophobicContact CG-CE1 3.59Å; T265-Y293 VanDerWaalsContact OG1-C 3.27Å; T265-Y293 WeakPolarHBondContact OG1-CA 3.35Å; H291-Y293 HydrophobicContact CB-CE2 3.97Å
294	S	95.5	Very high	79.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.2	-176.1	-74.7	0	0	0	0	110.2	I222 V223 Y262 Y263 T265	I222-S294 CarbonylContact O-C 3.56Å; I222-S294 VanDerWaalsContact O-CA 3.24Å; I222-S294 WeakPolarHBondContact O-CA 3.46Å; V223-S294 WeakPolarHBondContact CA-OG 3.08Å; Y262-S294 CarbonylContact C-O 3.31Å; Y262-S294 VanDerWaalsContact CA-O 3.28Å; Y262-S294 WeakPolarHBondContact CA-O 3.49Å; Y263-S294 WeakPolarHBondContact CD1-O 3.27Å; Y263-S294 VanDerWaalsContact CE1-CB 3.48Å; Y263-S294 PolarHBondContact N-O 3.14Å; Y263-S294 PolarHBondContact O-N 3.19Å; T265-S294 WeakPolarHBondContact OG1-CB 3.28Å; T265-S294 PolarHBondContact OG1-N 2.82Å; T265-S294 VanDerWaalsContact OG1-N 3.14Å; T265-S294 PolarHBondContact OG1-OG 2.94Å
295	L	97	Very high	81.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.7	166.4	174.9	62.9	0	0	0	108.2	F205 T221 I222 F225 F232 I260 N261 Y262 W297	F205-L295 HydrophobicContact CE1-CD2 4.32Å; T221-L295 CarbonylContact C-O 3.52Å; T221-L295 VanDerWaalsContact CA-O 3.28Å; T221-L295 WeakPolarHBondContact CA-O 3.48Å; I222-L295 PolarHBondContact N-O 3.08Å; I222-L295 PolarHBondContact O-N 3.25Å; F225-L295 HydrophobicContact CD2-CB 4.07Å; F225-L295 HydrophobicContact CE2-CB 3.53Å; F225-L295 HydrophobicContact CE2-CD2 4.04Å; F225-L295 HydrophobicContact CE2-CG 4.46Å; F225-L295 HydrophobicContact CZ-CB 4.39Å; F225-L295 HydrophobicContact CZ-CD2 4.12Å; F232-L295 HydrophobicContact CB-CD1 3.63Å; F232-L295 HydrophobicContact CD1-CD1 3.76Å; F232-L295 HydrophobicContact CD1-CD2 4.07Å; F232-L295 HydrophobicContact CD2-CD1 3.82Å; F232-L295 HydrophobicContact CD2-CD2 3.72Å; F232-L295 HydrophobicContact CD2-CG 4.34Å; F232-L295 HydrophobicContact CE1-CD1 4.42Å; F232-L295 HydrophobicContact CE1-CD2 3.91Å; F232-L295 HydrophobicContact CE2-CD1 4.48Å; F232-L295 HydrophobicContact CE2-CD2 3.54Å; F232-L295 HydrophobicContact CG-CD1 3.45Å; F232-L295 VanDerWaalsContact CG-CD1 3.45Å; F232-L295 HydrophobicContact CG-CD2 4.03Å; F232-L295 HydrophobicContact CG-CG 4.37Å; F232-L295 HydrophobicContact CZ-CD2 3.65Å; I260-L295 HydrophobicContact CG2-CD1 4.06Å; N261-L295 WeakPolarHBondContact O-CA 3.01Å; Y262-L295 HydrophobicContact CD2-CB 3.99Å; Y262-L295 HydrophobicContact CD2-CD1 4.2Å; Y262-L295 HydrophobicContact CE2-CB 4.47Å; L295-W297 HydrophobicContact CD2-CE3 4.15Å; L295-W297 HydrophobicContact CD2-CZ3 3.9Å; L295-W297 HydrophobicContact CG-CE3 3.89Å; L295-W297 HydrophobicContact CG-CZ3 3.97Å
296	T	97.8	Very high	83.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	148.9	169.5	-163.3	0	0	0	0	111	I115 P117 R219 F220 T221 I260 N261 Y263	I115-T296 WeakPolarHBondContact O-CG2 3.39Å; P117-T296 HydrophobicContact CG-CG2 4.42Å; R219-T296 WeakPolarHBondContact CD-OG1 3.22Å; R219-T296 WeakPolarHBondContact CG-OG1 3.32Å; R219-T296 PolarHBondContact NH1-OG1 2.83Å; F220-T296 WeakPolarHBondContact O-CA 3.47Å; F220-T296 PolarHBondContact O-OG1 3.5Å; T221-T296 PolarHBondContact OG1-OG1 3.13Å; I260-T296 WeakPolarHBondContact CA-O 3.44Å; N261-T296 HydrophobicContact CB-CG2 3.8Å; N261-T296 PolarHBondContact N-O 3.36Å; N261-T296 VanDerWaalsContact N-O 3.08Å; N261-T296 PolarHBondContact O-N 2.91Å; Y263-T296 HydrophobicContact CE1-CG2 4.19Å
297	W	98.1	Very high	86.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	151.1	167.6	67.3	102.5	0	0	0	110.9	R219 F220 I222 P238 I260 L295 F299 F310	R219-W297 WeakPolarHBondContact CA-O 3.21Å; F220-W297 HydrophobicContact CB-CD2 4.21Å; F220-W297 HydrophobicContact CB-CE3 4.32Å; F220-W297 HydrophobicContact CB-CH2 3.88Å; F220-W297 HydrophobicContact CB-CZ2 3.74Å; F220-W297 HydrophobicContact CB-CZ3 4.16Å; F220-W297 HydrophobicContact CD2-CH2 4.38Å; F220-W297 AromaticContact CD2-CZ2 3.71Å; F220-W297 HydrophobicContact CD2-CZ2 3.71Å; F220-W297 HydrophobicContact CG-CZ2 4.24Å; F220-W297 PolarHBondContact N-O 2.93Å; F220-W297 VanDerWaalsContact N-O 3.08Å; F220-W297 PolarHBondContact O-N 3.46Å; I222-W297 HydrophobicContact CD1-CH2 3.73Å; I222-W297 HydrophobicContact CD1-CZ3 3.86Å; I222-W297 HydrophobicContact CG1-CH2 4.12Å; I222-W297 HydrophobicContact CG1-CZ3 4.05Å; P238-W297 HydrophobicContact CB-CZ2 4.45Å; P238-W297 HydrophobicContact CG-CD2 3.87Å; P238-W297 HydrophobicContact CG-CE3 4.23Å; P238-W297 HydrophobicContact CG-CG 4.11Å; P238-W297 HydrophobicContact CG-CZ2 4.36Å; I260-W297 HydrophobicContact CG1-CB 3.96Å; L295-W297 HydrophobicContact CD2-CE3 4.15Å; L295-W297 HydrophobicContact CD2-CZ3 3.9Å; L295-W297 HydrophobicContact CG-CE3 3.89Å; L295-W297 HydrophobicContact CG-CZ3 3.97Å; W297-F299 AromaticContact CD1-CD1 3.75Å; W297-F299 AromaticContact NE1-CD1 3.6Å; W297-F310 HydrophobicContact CZ2-CD1 4.15Å
298	K	97.3	Very high	88.9	Confident	63 Å²	63	41.3 Å²	41.3	27%	0.274	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	147.3	165.3	-85.5	-177.9	162.8	174.9	0	111.6	Y218 R219 G257 S258 D259	Y218-K298 CarbonylContact O-C 3.56Å; Y218-K298 VanDerWaalsContact O-CA 3.26Å; Y218-K298 WeakPolarHBondContact O-CA 3.48Å; R219-K298 HydrophobicContact CB-CG 4.09Å; R219-K298 HydrophobicContact CG-CG 4.49Å; R219-K298 VanDerWaalsContact NH2-CE 3.32Å; G257-K298 CarbonylContact C-O 3.43Å; G257-K298 WeakPolarHBondContact CA-O 3.34Å; S258-K298 PolarHBondContact N-O 3.27Å; S258-K298 PolarHBondContact O-N 2.95Å; D259-K298 HydrophobicContact CB-CB 4.26Å; D259-K298 HydrophobicContact CB-CD 4.46Å
299	F	96.1	Very high	91.2	Very high	14 Å²	14	36.5 Å²	36.5	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	169.6	170.9	73.1	-75.8	0	0	0	111.1	S217 Y218 F220 W297 F301 F310	S217-F299 CarbonylContact C-O 3.57Å; S217-F299 WeakPolarHBondContact CA-O 3.19Å; Y218-F299 PolarHBondContact N-O 3.49Å; Y218-F299 PolarHBondContact O-N 3.42Å; F220-F299 HydrophobicContact CD1-CE1 4.18Å; F220-F299 AromaticContact CD2-CE1 3.73Å; F220-F299 HydrophobicContact CD2-CE1 3.73Å; F220-F299 HydrophobicContact CD2-CZ 4.23Å; F220-F299 HydrophobicContact CE1-CE1 4.16Å; F220-F299 HydrophobicContact CE1-CZ 4.29Å; F220-F299 AromaticContact CE2-CE1 3.7Å; F220-F299 HydrophobicContact CE2-CE1 3.7Å; F220-F299 AromaticContact CE2-CZ 3.72Å; F220-F299 HydrophobicContact CE2-CZ 3.72Å; F220-F299 AromaticContact CG-CE1 3.97Å; F220-F299 HydrophobicContact CG-CE1 3.97Å; F220-F299 AromaticContact CZ-CE1 3.93Å; F220-F299 HydrophobicContact CZ-CE1 3.93Å; F220-F299 AromaticContact CZ-CZ 3.76Å; F220-F299 HydrophobicContact CZ-CZ 3.76Å; W297-F299 AromaticContact CD1-CD1 3.75Å; W297-F299 AromaticContact NE1-CD1 3.6Å; F299-F301 AromaticContact CE2-CD1 3.68Å; F299-F301 HydrophobicContact CE2-CD1 3.68Å; F299-F301 HydrophobicContact CE2-CD2 4.03Å; F299-F301 AromaticContact CE2-CE1 3.56Å; F299-F301 HydrophobicContact CE2-CE1 3.56Å; F299-F301 AromaticContact CE2-CE2 3.91Å; F299-F301 HydrophobicContact CE2-CE2 3.91Å; F299-F301 AromaticContact CE2-CG 3.93Å; F299-F301 HydrophobicContact CE2-CG 3.93Å; F299-F301 AromaticContact CE2-CZ 3.68Å; F299-F301 HydrophobicContact CE2-CZ 3.68Å; F299-F301 HydrophobicContact CZ-CD1 4.38Å; F299-F301 HydrophobicContact CZ-CD2 4.49Å; F299-F301 AromaticContact CZ-CE1 3.81Å; F299-F301 HydrophobicContact CZ-CE1 3.81Å; F299-F301 AromaticContact CZ-CE2 3.92Å; F299-F301 HydrophobicContact CZ-CE2 3.92Å; F299-F301 AromaticContact CZ-CZ 3.55Å; F299-F301 HydrophobicContact CZ-CZ 3.55Å; F299-F310 HydrophobicContact CD1-CZ 4.42Å; F299-F310 AromaticContact CD2-CZ 3.98Å; F299-F310 HydrophobicContact CD2-CZ 3.98Å; F299-F310 AromaticContact CE1-CZ 3.97Å; F299-F310 HydrophobicContact CE1-CZ 3.97Å; F299-F310 HydrophobicContact CE2-CE1 4.48Å; F299-F310 HydrophobicContact CE2-CE2 4.2Å; F299-F310 AromaticContact CE2-CZ 3.51Å; F299-F310 HydrophobicContact CE2-CZ 3.51Å; F299-F310 HydrophobicContact CG-CZ 4.44Å; F299-F310 HydrophobicContact CZ-CE1 4.43Å; F299-F310 AromaticContact CZ-CE2 3.95Å; F299-F310 HydrophobicContact CZ-CE2 3.95Å; F299-F310 AromaticContact CZ-CZ 3.5Å; F299-F310 HydrophobicContact CZ-CZ 3.5Å
300	K	96.9	Very high	93.5	Very high	124 Å²	124	34.8 Å²	34.8	54%	0.539	17%	0.17	S	C	.	.			trans	-114.4	145.6	163.8	-61.6	-153.8	177.5	-167.6	0	109.4	N215 N216	N215-K300 PolarHBondContact O-NZ 3.4Å; N216-K300 WeakPolarHBondContact O-CG 3.23Å
301	F	97.3	Very high	95.1	Very high	5 Å²	5	31 Å²	31	2%	0.022	15%	0.152	C	C	.	.			trans	-70.8	145.9	169.3	-65.6	-80.3	0	0	0	110.1	L166 V209 T212 E213 N214 Y218 F220 F299 V308 F310	L166-F301 HydrophobicContact CD1-CE2 4.06Å; L166-F301 HydrophobicContact CD1-CZ 4Å; L166-F301 HydrophobicContact CD2-CE2 3.86Å; L166-F301 HydrophobicContact CD2-CZ 4.05Å; V209-F301 HydrophobicContact CG1-CE1 4.21Å; V209-F301 HydrophobicContact CG1-CZ 3.89Å; T212-F301 HydrophobicContact CG2-CD1 3.44Å; T212-F301 VanDerWaalsContact CG2-CD1 3.44Å; T212-F301 HydrophobicContact CG2-CD2 4.11Å; T212-F301 HydrophobicContact CG2-CE1 3.46Å; T212-F301 VanDerWaalsContact CG2-CE1 3.46Å; T212-F301 HydrophobicContact CG2-CE2 4.14Å; T212-F301 HydrophobicContact CG2-CG 3.78Å; T212-F301 HydrophobicContact CG2-CZ 3.82Å; E213-F301 WeakPolarHBondContact O-CD2 3.46Å; N214-F301 VanDerWaalsContact CA-O 3.32Å; N214-F301 WeakPolarHBondContact CA-O 3.44Å; N214-F301 VanDerWaalsContact CB-O 3.3Å; N214-F301 WeakPolarHBondContact CB-O 3.49Å; Y218-F301 HydrophobicContact CD1-CE2 4.28Å; Y218-F301 AromaticContact CD2-CD2 3.6Å; Y218-F301 HydrophobicContact CD2-CD2 3.6Å; Y218-F301 AromaticContact CD2-CE2 3.5Å; Y218-F301 HydrophobicContact CD2-CE2 3.5Å; Y218-F301 VanDerWaalsContact CD2-CE2 3.5Å; Y218-F301 HydrophobicContact CE1-CE2 4.3Å; Y218-F301 AromaticContact CE2-CD2 3.49Å; Y218-F301 HydrophobicContact CE2-CD2 3.49Å; Y218-F301 VanDerWaalsContact CE2-CD2 3.49Å; Y218-F301 AromaticContact CE2-CE2 3.54Å; Y218-F301 HydrophobicContact CE2-CE2 3.54Å; Y218-F301 HydrophobicContact CG-CD2 4.43Å; Y218-F301 AromaticContact CG-CE2 3.87Å; Y218-F301 HydrophobicContact CG-CE2 3.87Å; Y218-F301 AromaticContact CZ-CE2 3.94Å; F220-F301 HydrophobicContact CZ-CZ 4.31Å; F299-F301 AromaticContact CE2-CD1 3.68Å; F299-F301 HydrophobicContact CE2-CD1 3.68Å; F299-F301 HydrophobicContact CE2-CD2 4.03Å; F299-F301 AromaticContact CE2-CE1 3.56Å; F299-F301 HydrophobicContact CE2-CE1 3.56Å; F299-F301 AromaticContact CE2-CE2 3.91Å; F299-F301 HydrophobicContact CE2-CE2 3.91Å; F299-F301 AromaticContact CE2-CG 3.93Å; F299-F301 HydrophobicContact CE2-CG 3.93Å; F299-F301 AromaticContact CE2-CZ 3.68Å; F299-F301 HydrophobicContact CE2-CZ 3.68Å; F299-F301 HydrophobicContact CZ-CD1 4.38Å; F299-F301 HydrophobicContact CZ-CD2 4.49Å; F299-F301 AromaticContact CZ-CE1 3.81Å; F299-F301 HydrophobicContact CZ-CE1 3.81Å; F299-F301 AromaticContact CZ-CE2 3.92Å; F299-F301 HydrophobicContact CZ-CE2 3.92Å; F299-F301 AromaticContact CZ-CZ 3.55Å; F299-F301 HydrophobicContact CZ-CZ 3.55Å; F301-V308 HydrophobicContact CD1-CB 4.2Å; F301-V308 HydrophobicContact CD1-CG1 4.19Å; F301-V308 HydrophobicContact CD1-CG2 3.95Å; F301-V308 HydrophobicContact CE1-CB 4.12Å; F301-V308 HydrophobicContact CE1-CG1 4.14Å; F301-V308 HydrophobicContact CE1-CG2 4.33Å; F301-F310 HydrophobicContact CE1-CE2 4.27Å
302	P	95.6	Very high	96.3	Very high	36 Å²	36	26.9 Å²	26.9	23%	0.234	13%	0.134	C	C	.	.	S	Bend	trans	-72	-33	179.3	28.4	-33.8	0	0	0	112.4	M240 M245	M240-P302 HydrophobicContact CE-CG 4.39Å; M245-P302 HydrophobicContact CE-CB 3.67Å; M245-P302 HydrophobicContact CE-CG 4.24Å
303	Y	96.7	Very high	96.8	Very high	70 Å²	70	26.4 Å²	26.4	28%	0.275	13%	0.13	S	C	.	.	S	Bend	trans	-137.3	148.6	-176	-59	-73.4	0	0	0	111.5	T212 K244 M245 L248	T212-Y303 PolarHBondContact OG1-O 3.15Å; K244-Y303 HydrophobicContact CB-CD2 3.54Å; K244-Y303 HydrophobicContact CB-CE2 4.09Å; K244-Y303 HydrophobicContact CB-CG 4Å; K244-Y303 HydrophobicContact CD-CG 4.23Å; M245-Y303 HydrophobicContact CB-CE2 3.97Å; L248-Y303 HydrophobicContact CD1-CE1 4.05Å; L248-Y303 HydrophobicContact CD1-CE2 4.25Å
304	P	95.7	Very high	97.1	Very high	55 Å²	55	25.3 Å²	25.3	36%	0.357	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	156	169.4	33.9	-33.3	0	0	0	110.6	T212 K244 D306	T212-P304 CarbonylContact O-C 3.58Å; T212-P304 WeakPolarHBondContact O-CA 3.2Å; K244-P304 PolarHBondContact NZ-O 3.07Å; P304-D306 PolarHBondContact O-N 3.13Å
305	N	94.8	Very high	97.2	Very high	118 Å²	118	25.5 Å²	25.5	63%	0.631	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	42.5	179.4	-66.6	-37.8	0	0	0	113.3	T212 K244	T212-N305 PolarHBondContact O-N 2.98Å; T212-N305 PolarHBondContact OG1-N 2.92Å; K244-N305 WeakPolarHBondContact CE-O 3.16Å; K244-N305 VanDerWaalsContact NZ-C 3.33Å; K244-N305 PolarHBondContact NZ-O 2.7Å
306	D	96.6	Very high	97.2	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.027	13%	0.129	C	C	.	.			trans	-102	162.5	-179.1	-165.3	15.3	0	0	0	111.3	T212 S242 K244 P304 V308	T212-D306 WeakPolarHBondContact OG1-CB 3.26Å; T212-D306 PolarHBondContact OG1-N 3.22Å; S242-D306 VanDerWaalsContact CB-OD2 3.31Å; S242-D306 WeakPolarHBondContact CB-OD2 3.43Å; S242-D306 PolarHBondContact OG-OD2 3.29Å; K244-D306 WeakPolarHBondContact CB-OD1 3.45Å; K244-D306 HydrophobicContact CD-CB 4.04Å; K244-D306 HydrophobicContact CG-CB 4.49Å; K244-D306 VanDerWaalsContact CG-OD1 3.29Å; K244-D306 WeakPolarHBondContact CG-OD1 3.41Å; K244-D306 PolarHBondContact N-OD1 3.08Å; P304-D306 PolarHBondContact O-N 3.13Å; D306-V308 HydrophobicContact CB-CG2 4Å; D306-V308 WeakPolarHBondContact OD2-CG2 3.39Å
307	T	97.4	Very high	97.2	Very high	23 Å²	23	26.1 Å²	26.1	14%	0.141	13%	0.131	C	C	.	.			trans	-105.3	119.6	166.1	-60.7	0	0	0	0	108	R208 Q210 E243 Y309	R208-T307 HydrophobicContact CG-CG2 3.67Å; Q210-T307 HydrophobicContact CG-CG2 3.98Å; Q210-T307 PolarHBondContact NE2-OG1 3.43Å; E243-T307 HydrophobicContact CG-CG2 4.46Å; E243-T307 PolarHBondContact N-O 2.98Å; E243-T307 WeakPolarHBondContact OE1-CB 3.46Å; E243-T307 WeakPolarHBondContact OE1-CG2 3.45Å; T307-Y309 HydrophobicContact CG2-CE2 3.68Å
308	V	98.2	Very high	97.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.5	-170.7	179.7	0	0	0	0	110.4	R208 V209 T212 M240 Y241 F301 D306 F310	R208-V308 CarbonylContact C-O 3.56Å; V209-V308 PolarHBondContact N-O 3.06Å; V209-V308 PolarHBondContact O-N 2.96Å; T212-V308 HydrophobicContact CG2-CG2 4.18Å; M240-V308 HydrophobicContact CG-CG1 3.48Å; M240-V308 VanDerWaalsContact CG-CG1 3.48Å; M240-V308 HydrophobicContact SD-CG1 3.69Å; Y241-V308 CarbonylContact O-C 3.42Å; Y241-V308 VanDerWaalsContact O-CA 3.25Å; Y241-V308 WeakPolarHBondContact O-CA 3.3Å; F301-V308 HydrophobicContact CD1-CB 4.2Å; F301-V308 HydrophobicContact CD1-CG1 4.19Å; F301-V308 HydrophobicContact CD1-CG2 3.95Å; F301-V308 HydrophobicContact CE1-CB 4.12Å; F301-V308 HydrophobicContact CE1-CG1 4.14Å; F301-V308 HydrophobicContact CE1-CG2 4.33Å; D306-V308 HydrophobicContact CB-CG2 4Å; D306-V308 WeakPolarHBondContact OD2-CG2 3.39Å; V308-F310 HydrophobicContact CG1-CD2 4.43Å; V308-F310 HydrophobicContact CG1-CE2 3.78Å; V308-F310 HydrophobicContact CG1-CZ 4.21Å
309	Y	98.6	Very high	97.1	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.035	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.8	179.8	-56.3	-97.4	0	0	0	110.8	I94 H96 F172 Y206 F207 R208 M240 Y241 E243 T307	I94-Y309 HydrophobicContact CD1-CD1 4.44Å; I94-Y309 HydrophobicContact CD1-CE1 3.61Å; I94-Y309 HydrophobicContact CG1-CE1 4.06Å; I94-Y309 HydrophobicContact CG2-CE1 3.98Å; H96-Y309 AromaticContact NE2-CD2 3.42Å; H96-Y309 WeakPolarHBondContact NE2-CD2 3.31Å; H96-Y309 AromaticContact NE2-CE2 3.71Å; H96-Y309 AromaticContact NE2-CG 3.69Å; F172-Y309 HydrophobicContact CZ-CD1 4.23Å; F172-Y309 HydrophobicContact CZ-CE1 4.42Å; Y206-Y309 HydrophobicContact CE2-CD1 4.17Å; F207-Y309 CarbonylContact O-C 3.53Å; F207-Y309 VanDerWaalsContact O-CA 3.29Å; F207-Y309 WeakPolarHBondContact O-CA 3.46Å; R208-Y309 HydrophobicContact CB-CD1 3.69Å; R208-Y309 HydrophobicContact CB-CE1 3.58Å; R208-Y309 HydrophobicContact CG-CD1 3.88Å; R208-Y309 HydrophobicContact CG-CE1 3.46Å; R208-Y309 VanDerWaalsContact CG-CE1 3.46Å; M240-Y309 CarbonylContact C-O 3.58Å; M240-Y309 VanDerWaalsContact CA-O 3.24Å; M240-Y309 WeakPolarHBondContact CA-O 3.26Å; Y241-Y309 HydrophobicContact CD1-CD2 4.08Å; Y241-Y309 PolarHBondContact N-O 3.38Å; Y241-Y309 PolarHBondContact O-N 3.29Å; E243-Y309 HydrophobicContact CG-CE2 4.23Å; E243-Y309 PolarHBondContact OE1-OH 2.84Å; T307-Y309 HydrophobicContact CG2-CE2 3.68Å
310	F	98.7	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.9	172.5	-74.5	-86.5	0	0	0	110.9	F205 Y206 F207 V209 F220 L239 M240 V256 W297 F299 F301 V308	F205-F310 HydrophobicContact CE2-CB 4.47Å; Y206-F310 VanDerWaalsContact CA-O 3.25Å; Y206-F310 WeakPolarHBondContact CA-O 3.5Å; F207-F310 HydrophobicContact CD1-CB 4.48Å; F207-F310 HydrophobicContact CD2-CB 4.42Å; F207-F310 HydrophobicContact CE1-CB 3.99Å; F207-F310 HydrophobicContact CE2-CB 3.92Å; F207-F310 AromaticContact CE2-CD2 3.98Å; F207-F310 HydrophobicContact CE2-CD2 3.98Å; F207-F310 HydrophobicContact CE2-CG 4.26Å; F207-F310 HydrophobicContact CZ-CB 3.68Å; F207-F310 HydrophobicContact CZ-CD2 4.37Å; F207-F310 HydrophobicContact CZ-CG 4.2Å; F207-F310 PolarHBondContact N-O 3.42Å; F207-F310 PolarHBondContact O-N 3.12Å; V209-F310 HydrophobicContact CG2-CD2 3.99Å; V209-F310 HydrophobicContact CG2-CE2 4.25Å; F220-F310 AromaticContact CE2-CD2 3.97Å; F220-F310 HydrophobicContact CE2-CD2 3.97Å; F220-F310 AromaticContact CE2-CE2 3.75Å; F220-F310 HydrophobicContact CE2-CE2 3.75Å; F220-F310 HydrophobicContact CE2-CZ 4.27Å; L239-F310 VanDerWaalsContact O-CA 3.29Å; L239-F310 WeakPolarHBondContact O-CA 3.46Å; M240-F310 HydrophobicContact CB-CD1 4.21Å; M240-F310 HydrophobicContact CB-CE1 3.84Å; M240-F310 HydrophobicContact CB-CZ 4.32Å; M240-F310 HydrophobicContact CG-CE1 3.9Å; M240-F310 HydrophobicContact CG-CE2 4.45Å; M240-F310 HydrophobicContact CG-CZ 3.85Å; V256-F310 HydrophobicContact CG2-CE1 3.98Å; W297-F310 HydrophobicContact CZ2-CD1 4.15Å; F299-F310 HydrophobicContact CD1-CZ 4.42Å; F299-F310 AromaticContact CD2-CZ 3.98Å; F299-F310 HydrophobicContact CD2-CZ 3.98Å; F299-F310 AromaticContact CE1-CZ 3.97Å; F299-F310 HydrophobicContact CE1-CZ 3.97Å; F299-F310 HydrophobicContact CE2-CE1 4.48Å; F299-F310 HydrophobicContact CE2-CE2 4.2Å; F299-F310 AromaticContact CE2-CZ 3.51Å; F299-F310 HydrophobicContact CE2-CZ 3.51Å; F299-F310 HydrophobicContact CG-CZ 4.44Å; F299-F310 HydrophobicContact CZ-CE1 4.43Å; F299-F310 AromaticContact CZ-CE2 3.95Å; F299-F310 HydrophobicContact CZ-CE2 3.95Å; F299-F310 AromaticContact CZ-CZ 3.5Å; F299-F310 HydrophobicContact CZ-CZ 3.5Å; F301-F310 HydrophobicContact CE1-CE2 4.27Å; V308-F310 HydrophobicContact CG1-CD2 4.43Å; V308-F310 HydrophobicContact CG1-CE2 3.78Å; V308-F310 HydrophobicContact CG1-CZ 4.21Å
311	A	98.4	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.8	179.8	0	0	0	0	0	114.1	F205 Y206 L239 W253 P315	F205-A311 WeakPolarHBondContact CE2-O 3.36Å; F205-A311 WeakPolarHBondContact O-CA 3.44Å; Y206-A311 HydrophobicContact CD2-CB 4.09Å; L239-A311 HydrophobicContact CB-CB 4.46Å; L239-A311 WeakPolarHBondContact CB-O 3.35Å; L239-A311 PolarHBondContact N-O 2.99Å; L239-A311 PolarHBondContact O-N 3.16Å; W253-A311 HydrophobicContact CH2-CB 3.6Å; W253-A311 HydrophobicContact CZ2-CB 4.4Å; W253-A311 HydrophobicContact CZ3-CB 3.81Å; A311-P315 HydrophobicContact CB-CG 3.86Å
312	A	96.6	Very high	97	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.033	11%	0.106	C	C	.	.	S	Bend	trans	-73.9	-37.9	175.8	0	0	0	0	0	113.4	W204 F205 M236	W204-A312 HydrophobicContact CE3-CB 4.03Å; W204-A312 HydrophobicContact CZ3-CB 4.2Å; F205-A312 HydrophobicContact CD1-CB 3.74Å; F205-A312 HydrophobicContact CE1-CB 3.68Å; F205-A312 HydrophobicContact CG-CB 4.28Å; F205-A312 HydrophobicContact CZ-CB 4.17Å; F205-A312 PolarHBondContact O-N 3.26Å; F205-A312 VanDerWaalsContact O-N 3.07Å; M236-A312 WeakPolarHBondContact CE-O 3.27Å
313	C	97.2	Very high	97	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-152	164.6	174.9	-165.1	0	0	0	0	108.2	W204 L239 P315 T422 Q423 F589	W204-C313 WeakPolarHBondContact CH2-O 3.43Å; W204-C313 HydrophobicContact CZ3-CB 4.22Å; L239-C313 VanDerWaalsContact CD1-C 3.4Å; C313-P315 WeakPolarHBondContact O-CD 3.28Å; C313-P315 VanDerWaalsContact O-N 3.07Å; C313-T422 WeakPolarHBondContact CB-OG1 3.4Å; C313-Q423 PolarHBondContact SG-OE1 3.15Å; C313-Q423 VanDerWaalsContact SG-OE1 3.33Å; C313-F589 HydrophobicContact CB-CD1 3.73Å; C313-F589 HydrophobicContact CB-CE1 4Å
314	Y	97.9	Very high	97	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.02	10%	0.099	C	C	.	.			trans	-56.3	113	-174	-52.3	-86.5	0	0	0	110.4	L239 W253 R255 Y316 T422 W426 F603 N604 F608	L239-Y314 HydrophobicContact CD1-CD1 3.6Å; L239-Y314 HydrophobicContact CD1-CD2 3.98Å; L239-Y314 HydrophobicContact CD1-CE1 3.68Å; L239-Y314 HydrophobicContact CD1-CE2 4.04Å; L239-Y314 HydrophobicContact CD1-CG 3.74Å; L239-Y314 VanDerWaalsContact CD1-N 3.27Å; L239-Y314 HydrophobicContact CD2-CD1 4.24Å; L239-Y314 HydrophobicContact CD2-CE1 3.52Å; L239-Y314 HydrophobicContact CG-CE1 4.28Å; W253-Y314 HydrophobicContact CB-CD1 3.71Å; W253-Y314 HydrophobicContact CB-CE1 3.72Å; W253-Y314 AromaticContact CG-CD1 3.91Å; W253-Y314 HydrophobicContact CG-CD1 3.91Å; W253-Y314 HydrophobicContact CG-CE1 4.41Å; R255-Y314 PolarHBondContact NE-OH 3.24Å; Y314-Y316 PolarHBondContact O-N 3.1Å; Y314-T422 WeakPolarHBondContact O-CB 3.04Å; Y314-T422 PolarHBondContact O-OG1 3.06Å; Y314-W426 PolarHBondContact O-NE1 3.07Å; Y314-F603 VanDerWaalsContact CE2-O 3.3Å; Y314-F603 WeakPolarHBondContact CE2-O 3.34Å; Y314-F603 PolarHBondContact OH-O 3.21Å; Y314-N604 WeakPolarHBondContact OH-CA 3.43Å; Y314-F608 HydrophobicContact CD2-CD2 4.48Å; Y314-F608 AromaticContact CD2-CE2 3.97Å; Y314-F608 HydrophobicContact CD2-CE2 3.97Å; Y314-F608 HydrophobicContact CE2-CE2 4.06Å
315	P	98.2	Very high	97	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.032	8%	0.083	C	C	.	.			trans	-64.5	134.3	-175.7	-24.8	36.8	0	0	0	111.8	W204 Y206 W253 A311 C313	W204-P315 HydrophobicContact CH2-CB 4.42Å; W204-P315 HydrophobicContact CH2-CG 4.2Å; W204-P315 HydrophobicContact CZ2-CB 4.44Å; W204-P315 HydrophobicContact CZ2-CG 4.34Å; Y206-P315 HydrophobicContact CD1-CB 4.13Å; Y206-P315 HydrophobicContact CD1-CG 4.07Å; Y206-P315 HydrophobicContact CD2-CG 4.02Å; Y206-P315 HydrophobicContact CE1-CB 3.87Å; Y206-P315 HydrophobicContact CE1-CG 4.03Å; Y206-P315 HydrophobicContact CE2-CG 3.97Å; Y206-P315 HydrophobicContact CG-CG 4.1Å; W253-P315 HydrophobicContact CH2-CG 4.07Å; W253-P315 HydrophobicContact CZ2-CG 3.58Å; A311-P315 HydrophobicContact CB-CG 3.86Å; C313-P315 WeakPolarHBondContact O-CD 3.28Å; C313-P315 VanDerWaalsContact O-N 3.07Å
316	Y	98.1	Very high	97	Very high	7 Å²	7	12.8 Å²	12.8	3%	0.027	6%	0.063	C	C	.	.			trans	-129.8	109.1	170.1	-165.5	-54.8	0	0	0	106.9	Y314 Q320 L321 R416 S425 W426 K429	Y314-Y316 PolarHBondContact O-N 3.1Å; Y316-Q320 HydrophobicContact CD1-CB 4.4Å; Y316-Q320 HydrophobicContact CE1-CB 4.21Å; Y316-L321 HydrophobicContact CE1-CB 3.97Å; Y316-R416 PolarHBondContact O-NH1 3.4Å; Y316-R416 PolarHBondContact O-NH2 3.17Å; Y316-S425 VanDerWaalsContact CG-CB 3.43Å; Y316-W426 AromaticContact CD2-CD2 3.76Å; Y316-W426 HydrophobicContact CD2-CD2 3.76Å; Y316-W426 AromaticContact CD2-CE2 3.69Å; Y316-W426 AromaticContact CD2-CE3 3.89Å; Y316-W426 HydrophobicContact CD2-CE3 3.89Å; Y316-W426 HydrophobicContact CD2-CG 4.38Å; Y316-W426 AromaticContact CD2-CH2 3.92Å; Y316-W426 HydrophobicContact CD2-CH2 3.92Å; Y316-W426 AromaticContact CD2-CZ2 3.78Å; Y316-W426 HydrophobicContact CD2-CZ2 3.78Å; Y316-W426 AromaticContact CD2-CZ3 3.97Å; Y316-W426 HydrophobicContact CD2-CZ3 3.97Å; Y316-W426 HydrophobicContact CE2-CD2 4.44Å; Y316-W426 HydrophobicContact CE2-CE3 4.15Å; Y316-W426 HydrophobicContact CE2-CH2 4.41Å; Y316-W426 HydrophobicContact CE2-CZ3 4.14Å; Y316-W426 HydrophobicContact CG-CZ2 4.41Å; Y316-K429 HydrophobicContact CE2-CB 4.29Å; Y316-K429 HydrophobicContact CE2-CD 4.37Å
317	T	97.1	Very high	96.8	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.037	9%	0.092	C	C	.	.			trans	-83.6	163.2	-175.2	62.6	0	0	0	0	112.2	R93 E173 Q320 L321	R93-T317 PolarHBondContact NH2-OG1 2.95Å; E173-T317 HydrophobicContact CB-CG2 4.09Å; E173-T317 VanDerWaalsContact CD-CB 3.46Å; E173-T317 HydrophobicContact CG-CG2 4.19Å; T317-Q320 VanDerWaalsContact OG1-CB 3.26Å; T317-Q320 WeakPolarHBondContact OG1-CB 3.48Å; T317-Q320 VanDerWaalsContact OG1-CD 3.32Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.23Å; T317-Q320 PolarHBondContact OG1-N 3.5Å; T317-Q320 VanDerWaalsContact OG1-N 3.12Å; T317-Q320 PolarHBondContact OG1-OE1 3.3Å; T317-L321 PolarHBondContact O-N 2.87Å
318	Y	96.9	Very high	96.7	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-72.3	-37.1	175.1	170.9	-108.3	0	0	0	111.2	I81 E173 Q320 L321 Q322 N350 S351 M456 P459 I463	I81-Y318 HydrophobicContact CG2-CD1 4.03Å; I81-Y318 HydrophobicContact CG2-CE1 4.34Å; E173-Y318 WeakPolarHBondContact OE1-CA 3.22Å; E173-Y318 WeakPolarHBondContact OE1-CB 3.23Å; E173-Y318 PolarHBondContact OE1-N 3.17Å; Y318-Q320 VanDerWaalsContact C-N 3.32Å; Y318-Q320 PolarHBondContact O-N 3.19Å; Y318-L321 WeakPolarHBondContact O-CA 3.3Å; Y318-L321 VanDerWaalsContact O-CB 3.31Å; Y318-L321 WeakPolarHBondContact O-CB 3.3Å; Y318-L321 PolarHBondContact O-N 2.82Å; Y318-L321 VanDerWaalsContact O-N 3.08Å; Y318-Q322 HydrophobicContact CD1-CG 4.46Å; Y318-Q322 VanDerWaalsContact CE1-CD 3.49Å; Y318-Q322 HydrophobicContact CE1-CG 4.12Å; Y318-Q322 HydrophobicContact CE2-CG 4.4Å; Y318-Q322 PolarHBondContact O-N 3.2Å; Y318-Q322 PolarHBondContact OH-NE2 2.68Å; Y318-N350 HydrophobicContact CE1-CB 4.14Å; Y318-S351 WeakPolarHBondContact CE2-O 3.3Å; Y318-S351 PolarHBondContact OH-N 3.44Å; Y318-S351 VanDerWaalsContact OH-N 3.11Å; Y318-S351 PolarHBondContact OH-O 3.48Å; Y318-S351 PolarHBondContact OH-OG 3.29Å; Y318-S351 VanDerWaalsContact OH-OG 3.07Å; Y318-M456 HydrophobicContact CD2-SD 3.73Å; Y318-M456 HydrophobicContact CG-SD 4.2Å; Y318-P459 HydrophobicContact CD1-CB 4.47Å; Y318-P459 HydrophobicContact CD2-CB 3.59Å; Y318-P459 HydrophobicContact CD2-CG 3.9Å; Y318-P459 HydrophobicContact CE2-CB 3.66Å; Y318-P459 HydrophobicContact CE2-CG 3.72Å; Y318-P459 HydrophobicContact CG-CB 4Å; Y318-I463 HydrophobicContact CD1-CD1 3.75Å; Y318-I463 HydrophobicContact CD1-CG1 4.15Å; Y318-I463 HydrophobicContact CE1-CD1 4.33Å; Y318-I463 HydrophobicContact CG-CD1 4.31Å; Y318-I463 HydrophobicContact CG-CG1 4.4Å
319	T	95.1	Very high	96.2	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-65.9	-33.5	174.4	-44.4	0	0	0	0	111.6	I81 E173 L321 Q322 E323	I81-T319 WeakPolarHBondContact CG2-OG1 3.07Å; E173-T319 VanDerWaalsContact CD-OG1 3.25Å; E173-T319 PolarHBondContact OE1-N 3.34Å; E173-T319 PolarHBondContact OE1-OG1 3.44Å; E173-T319 WeakPolarHBondContact OE2-CB 3.37Å; E173-T319 PolarHBondContact OE2-OG1 3.34Å; T319-L321 VanDerWaalsContact C-N 3.31Å; T319-L321 PolarHBondContact O-N 2.86Å; T319-Q322 PolarHBondContact O-N 3.41Å; T319-Q322 VanDerWaalsContact O-N 3.17Å; T319-E323 WeakPolarHBondContact O-CB 3.47Å; T319-E323 VanDerWaalsContact O-CG 3.28Å; T319-E323 WeakPolarHBondContact O-CG 3.35Å; T319-E323 PolarHBondContact O-N 2.63Å
320	Q	96	Very high	95.8	Very high	39 Å²	39	28.1 Å²	28.1	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-37	170.1	-85.3	166.2	-55	0	0	112.2	Y316 T317 Y318 Y324	Y316-Q320 HydrophobicContact CD1-CB 4.4Å; Y316-Q320 HydrophobicContact CE1-CB 4.21Å; T317-Q320 VanDerWaalsContact OG1-CB 3.26Å; T317-Q320 WeakPolarHBondContact OG1-CB 3.48Å; T317-Q320 VanDerWaalsContact OG1-CD 3.32Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.23Å; T317-Q320 PolarHBondContact OG1-N 3.5Å; T317-Q320 VanDerWaalsContact OG1-N 3.12Å; T317-Q320 PolarHBondContact OG1-OE1 3.3Å; Y318-Q320 VanDerWaalsContact C-N 3.32Å; Y318-Q320 PolarHBondContact O-N 3.19Å; Q320-Y324 WeakPolarHBondContact O-CB 3.32Å; Q320-Y324 PolarHBondContact O-N 2.82Å
321	L	97.4	Very high	95.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-45	172.4	179.3	63.3	0	0	0	110.6	Y316 T317 Y318 T319 Y324 L325 P353 P455 M456	Y316-L321 HydrophobicContact CE1-CB 3.97Å; T317-L321 PolarHBondContact O-N 2.87Å; Y318-L321 WeakPolarHBondContact O-CA 3.3Å; Y318-L321 VanDerWaalsContact O-CB 3.31Å; Y318-L321 WeakPolarHBondContact O-CB 3.3Å; Y318-L321 PolarHBondContact O-N 2.82Å; Y318-L321 VanDerWaalsContact O-N 3.08Å; T319-L321 VanDerWaalsContact C-N 3.31Å; T319-L321 PolarHBondContact O-N 2.86Å; L321-Y324 PolarHBondContact O-N 3.15Å; L321-L325 HydrophobicContact CD1-CD1 3.94Å; L321-L325 HydrophobicContact CD1-CD2 4.37Å; L321-L325 HydrophobicContact CD1-CG 3.87Å; L321-L325 HydrophobicContact CD2-CD1 4.48Å; L321-L325 HydrophobicContact CG-CD1 3.88Å; L321-L325 HydrophobicContact CG-CG 4.18Å; L321-L325 VanDerWaalsContact O-CB 3.31Å; L321-L325 WeakPolarHBondContact O-CB 3.49Å; L321-L325 VanDerWaalsContact O-CG 3.23Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 3.04Å; L321-P353 HydrophobicContact CD2-CG 3.96Å; L321-P455 HydrophobicContact CD1-CB 3.72Å; L321-P455 HydrophobicContact CD1-CG 4.39Å; L321-P455 HydrophobicContact CD2-CB 3.93Å; L321-P455 HydrophobicContact CG-CB 4.49Å; L321-M456 HydrophobicContact CB-CE 4.45Å; L321-M456 HydrophobicContact CD2-CB 3.71Å; L321-M456 HydrophobicContact CD2-CE 4.24Å
322	Q	96.3	Very high	95.2	Very high	32 Å²	32	36 Å²	36	15%	0.15	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-45	177.8	-66.3	-177	-40.4	0	0	112.2	W76 Y318 T319 Y324 L325 N326	W76-Q322 HydrophobicContact CH2-CB 4.31Å; W76-Q322 HydrophobicContact CZ2-CB 4.15Å; Y318-Q322 HydrophobicContact CD1-CG 4.46Å; Y318-Q322 VanDerWaalsContact CE1-CD 3.49Å; Y318-Q322 HydrophobicContact CE1-CG 4.12Å; Y318-Q322 HydrophobicContact CE2-CG 4.4Å; Y318-Q322 PolarHBondContact O-N 3.2Å; Y318-Q322 PolarHBondContact OH-NE2 2.68Å; T319-Q322 PolarHBondContact O-N 3.41Å; T319-Q322 VanDerWaalsContact O-N 3.17Å; Q322-Y324 PolarHBondContact O-N 2.95Å; Q322-L325 PolarHBondContact O-N 2.96Å; Q322-N326 VanDerWaalsContact O-CB 3.31Å; Q322-N326 WeakPolarHBondContact O-CB 3.16Å; Q322-N326 PolarHBondContact O-N 3.43Å; Q322-N326 PolarHBondContact O-OD1 3.2Å
323	E	94.8	Very high	94.9	Very high	53 Å²	53	40.2 Å²	40.2	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-57.5	-45.2	174.3	-72.1	162.2	-157.7	0	0	112	R93 T319 K327	R93-E323 IonicContact CZ-OE1 3.29Å; R93-E323 VanDerWaalsContact CZ-OE1 3.25Å; R93-E323 IonicContact NE-OE1 3.32Å; R93-E323 PolarHBondContact NE-OE1 2.94Å; R93-E323 IonicContact NH2-OE1 2.9Å; R93-E323 PolarHBondContact NH2-OE1 3.14Å; R93-E323 IonicContact NH2-OE2 3.57Å; T319-E323 WeakPolarHBondContact O-CB 3.47Å; T319-E323 VanDerWaalsContact O-CG 3.28Å; T319-E323 WeakPolarHBondContact O-CG 3.35Å; T319-E323 PolarHBondContact O-N 2.63Å; E323-K327 WeakPolarHBondContact O-CG 3.36Å; E323-K327 PolarHBondContact O-N 3.34Å
324	Y	96.3	Very high	94.8	Very high	32 Å²	32	41.4 Å²	41.4	13%	0.125	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-51.6	177.5	171.4	-92.3	0	0	0	111.8	Q320 L321 Q322 N326 K327 L328 K429 M432 D433	Q320-Y324 WeakPolarHBondContact O-CB 3.32Å; Q320-Y324 PolarHBondContact O-N 2.82Å; L321-Y324 PolarHBondContact O-N 3.15Å; Q322-Y324 PolarHBondContact O-N 2.95Å; Y324-N326 VanDerWaalsContact C-N 3.3Å; Y324-N326 PolarHBondContact O-N 3.24Å; Y324-K327 WeakPolarHBondContact O-CB 3.34Å; Y324-K327 PolarHBondContact O-N 3.41Å; Y324-K327 VanDerWaalsContact O-N 3.14Å; Y324-L328 HydrophobicContact CD1-CD1 4.44Å; Y324-L328 HydrophobicContact CE1-CD1 3.7Å; Y324-L328 HydrophobicContact CE1-CG 4.15Å; Y324-L328 HydrophobicContact CE2-CD2 4.48Å; Y324-L328 PolarHBondContact O-N 3.47Å; Y324-K429 HydrophobicContact CE2-CG 4.41Å; Y324-M432 HydrophobicContact CD1-CE 4.05Å; Y324-M432 HydrophobicContact CE1-CB 4.38Å; Y324-M432 HydrophobicContact CE1-CE 3.4Å; Y324-M432 VanDerWaalsContact CE1-CE 3.4Å; Y324-M432 HydrophobicContact CE1-SD 4.05Å; Y324-M432 WeakPolarHBondContact OH-CB 3.42Å; Y324-D433 WeakPolarHBondContact CE2-OD1 3.11Å; Y324-D433 VanDerWaalsContact CZ-OD1 3.3Å; Y324-D433 PolarHBondContact OH-OD1 3.15Å
325	L	96.5	Very high	94.5	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-35.4	-179.1	-74.2	-172.7	0	0	0	113.1	L321 Q322 L328 T329 Q340 P353 L355	L321-L325 HydrophobicContact CD1-CD1 3.94Å; L321-L325 HydrophobicContact CD1-CD2 4.37Å; L321-L325 HydrophobicContact CD1-CG 3.87Å; L321-L325 HydrophobicContact CD2-CD1 4.48Å; L321-L325 HydrophobicContact CG-CD1 3.88Å; L321-L325 HydrophobicContact CG-CG 4.18Å; L321-L325 VanDerWaalsContact O-CB 3.31Å; L321-L325 WeakPolarHBondContact O-CB 3.49Å; L321-L325 VanDerWaalsContact O-CG 3.23Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 3.04Å; Q322-L325 PolarHBondContact O-N 2.96Å; L325-L328 HydrophobicContact CD2-CD1 4.43Å; L325-L328 WeakPolarHBondContact O-CB 3.44Å; L325-L328 PolarHBondContact O-N 2.74Å; L325-T329 PolarHBondContact O-N 3.1Å; L325-T329 PolarHBondContact O-OG1 3.49Å; L325-Q340 PolarHBondContact O-OE1 2.95Å; L325-P353 HydrophobicContact CD1-CB 3.64Å; L325-P353 HydrophobicContact CD1-CG 3.73Å; L325-L355 HydrophobicContact CD2-CD1 3.81Å; L325-L355 HydrophobicContact CD2-CD2 3.92Å; L325-L355 HydrophobicContact CD2-CG 4.32Å
326	N	94.2	Very high	94.2	Very high	37 Å²	37	53.7 Å²	53.7	20%	0.198	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-33.2	177	-68.9	-1.8	0	0	0	111.9	W76 Q322 Y324 L328 T329 L330	W76-N326 VanDerWaalsContact CD2-ND2 3.33Å; W76-N326 VanDerWaalsContact CE2-ND2 3.29Å; W76-N326 WeakPolarHBondContact CH2-ND2 3.38Å; W76-N326 WeakPolarHBondContact CZ2-ND2 3.41Å; W76-N326 WeakPolarHBondContact CZ3-ND2 3.4Å; Q322-N326 VanDerWaalsContact O-CB 3.31Å; Q322-N326 WeakPolarHBondContact O-CB 3.16Å; Q322-N326 PolarHBondContact O-N 3.43Å; Q322-N326 PolarHBondContact O-OD1 3.2Å; Y324-N326 VanDerWaalsContact C-N 3.3Å; Y324-N326 PolarHBondContact O-N 3.24Å; N326-L328 VanDerWaalsContact C-N 3.29Å; N326-L328 PolarHBondContact O-N 3.16Å; N326-T329 PolarHBondContact O-N 2.76Å; N326-L330 VanDerWaalsContact O-CG 3.31Å; N326-L330 WeakPolarHBondContact O-CG 3.47Å; N326-L330 PolarHBondContact O-N 2.68Å
327	K	93.8	Very high	94.1	Very high	148 Å²	148	54.1 Å²	54.1	64%	0.643	28%	0.275	S	S	*	.	H	α-helix	trans	-62.2	-36.3	169.7	-70.6	170.4	-177	-177.4	0	112.1	E323 Y324	E323-K327 WeakPolarHBondContact O-CG 3.36Å; E323-K327 PolarHBondContact O-N 3.34Å; Y324-K327 WeakPolarHBondContact O-CB 3.34Å; Y324-K327 PolarHBondContact O-N 3.41Å; Y324-K327 VanDerWaalsContact O-N 3.14Å
328	L	93.7	Very high	94.1	Very high	16 Å²	16	54.3 Å²	54.3	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-66.3	-43	173.7	-54.6	-162.6	0	0	0	111.5	Y324 L325 N326 L330 N331 I334 I436	Y324-L328 HydrophobicContact CD1-CD1 4.44Å; Y324-L328 HydrophobicContact CE1-CD1 3.7Å; Y324-L328 HydrophobicContact CE1-CG 4.15Å; Y324-L328 HydrophobicContact CE2-CD2 4.48Å; Y324-L328 PolarHBondContact O-N 3.47Å; L325-L328 HydrophobicContact CD2-CD1 4.43Å; L325-L328 WeakPolarHBondContact O-CB 3.44Å; L325-L328 PolarHBondContact O-N 2.74Å; N326-L328 VanDerWaalsContact C-N 3.29Å; N326-L328 PolarHBondContact O-N 3.16Å; L328-L330 VanDerWaalsContact C-N 3.27Å; L328-L330 PolarHBondContact O-N 3.3Å; L328-N331 PolarHBondContact O-N 3.24Å; L328-N331 VanDerWaalsContact O-N 3.16Å; L328-I334 HydrophobicContact CB-CG2 4.09Å; L328-I334 HydrophobicContact CD2-CD1 4.28Å; L328-I436 HydrophobicContact CD1-CD1 3.69Å; L328-I436 HydrophobicContact CD2-CD1 3.54Å; L328-I436 HydrophobicContact CG-CD1 4.25Å
329	T	88.9	Confident	94.1	Very high	47 Å²	47	59.9 Å²	59.9	29%	0.288	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-28.9	-179.7	-57.6	0	0	0	0	112.9	L325 N326 Q340	L325-T329 PolarHBondContact O-N 3.1Å; L325-T329 PolarHBondContact O-OG1 3.49Å; N326-T329 PolarHBondContact O-N 2.76Å; T329-Q340 PolarHBondContact OG1-OE1 3.36Å
330	L	90.3	Very high	94.2	Very high	147 Å²	147	62.9 Å²	62.9	77%	0.77	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.4	176.5	-71.5	168.3	0	0	0	113.8	N326 L328	N326-L330 VanDerWaalsContact O-CG 3.31Å; N326-L330 WeakPolarHBondContact O-CG 3.47Å; N326-L330 PolarHBondContact O-N 2.68Å; L328-L330 VanDerWaalsContact C-N 3.27Å; L328-L330 PolarHBondContact O-N 3.3Å
331	N	92.6	Very high	94.2	Very high	67 Å²	67	63.2 Å²	63.2	36%	0.358	32%	0.321	S	S	.	.			trans	-91.5	110.6	178.1	-180	-45.9	0	0	0	110.1	L328 S333 I334 K335	L328-N331 PolarHBondContact O-N 3.24Å; L328-N331 VanDerWaalsContact O-N 3.16Å; N331-S333 VanDerWaalsContact C-N 3.32Å; N331-S333 PolarHBondContact O-N 3.17Å; N331-S333 WeakPolarHBondContact OD1-CB 3.25Å; N331-S333 PolarHBondContact OD1-N 3.09Å; N331-I334 HydrophobicContact CB-CB 4.08Å; N331-I334 HydrophobicContact CB-CD1 4.01Å; N331-I334 HydrophobicContact CB-CG1 4.16Å; N331-I334 PolarHBondContact O-N 2.83Å; N331-I334 PolarHBondContact OD1-N 3.17Å; N331-K335 WeakPolarHBondContact O-CB 3.37Å; N331-K335 PolarHBondContact O-N 3.44Å
332	S	90.6	Very high	94.2	Very high	98 Å²	98	66.2 Å²	66.2	69%	0.685	34%	0.34	S	S	*	.	H	α-helix	trans	-56.7	-39.8	-177.3	-56.1	0	0	0	0	113.8	K335 R336	S332-K335 PolarHBondContact O-N 3.14Å; S332-R336 PolarHBondContact O-N 2.96Å
333	S	91	Very high	94.3	Very high	93 Å²	93	65.9 Å²	65.9	65%	0.65	34%	0.339	S	S	*	.	H	α-helix	trans	-67.3	-42.6	179.2	-48.2	0	0	0	0	111.5	N331 R336	N331-S333 VanDerWaalsContact C-N 3.32Å; N331-S333 PolarHBondContact O-N 3.17Å; N331-S333 WeakPolarHBondContact OD1-CB 3.25Å; N331-S333 PolarHBondContact OD1-N 3.09Å; S333-R336 WeakPolarHBondContact O-CB 3.35Å; S333-R336 PolarHBondContact O-N 3.02Å
334	I	94.5	Very high	94.5	Very high	26 Å²	26	63.8 Å²	63.8	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-38	175.3	-64.5	176	0	0	0	110.6	L328 N331 R336 I337 C338 I436	L328-I334 HydrophobicContact CB-CG2 4.09Å; L328-I334 HydrophobicContact CD2-CD1 4.28Å; N331-I334 HydrophobicContact CB-CB 4.08Å; N331-I334 HydrophobicContact CB-CD1 4.01Å; N331-I334 HydrophobicContact CB-CG1 4.16Å; N331-I334 PolarHBondContact O-N 2.83Å; N331-I334 PolarHBondContact OD1-N 3.17Å; I334-R336 PolarHBondContact O-N 3.47Å; I334-I337 CarbonylContact O-C 3.57Å; I334-I337 VanDerWaalsContact O-CG1 3.25Å; I334-I337 WeakPolarHBondContact O-CG1 3.41Å; I334-I337 PolarHBondContact O-N 3.17Å; I334-C338 HydrophobicContact CG2-CB 3.79Å; I334-C338 VanDerWaalsContact O-CB 3.29Å; I334-C338 WeakPolarHBondContact O-CB 3.43Å; I334-C338 PolarHBondContact O-N 2.64Å; I334-I436 HydrophobicContact CD1-CB 4.48Å; I334-I436 HydrophobicContact CD1-CD1 4.33Å; I334-I436 HydrophobicContact CD1-CG1 4.39Å; I334-I436 HydrophobicContact CG1-CB 4.48Å; I334-I436 HydrophobicContact CG2-CB 4.17Å; I334-I436 HydrophobicContact CG2-CG2 4.13Å
335	K	91.6	Very high	94.6	Very high	132 Å²	132	67.7 Å²	67.7	57%	0.574	35%	0.345	S	S	*	.	H	α-helix	trans	-60.5	-25.8	177.8	-172.4	-178.6	175.5	-171.4	0	113.4	N331 S332	N331-K335 WeakPolarHBondContact O-CB 3.37Å; N331-K335 PolarHBondContact O-N 3.44Å; S332-K335 PolarHBondContact O-N 3.14Å
336	R	92.9	Very high	94.6	Very high	136 Å²	136	68 Å²	68	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-35.7	172.6	-164.5	-178.5	86.8	151.8	7.8	112.8	S332 S333 I334 E359 P360	S332-R336 PolarHBondContact O-N 2.96Å; S333-R336 WeakPolarHBondContact O-CB 3.35Å; S333-R336 PolarHBondContact O-N 3.02Å; I334-R336 PolarHBondContact O-N 3.47Å; R336-E359 IonicContact CZ-OE1 2.67Å; R336-E359 IonicContact NE-OE1 3.12Å; R336-E359 IonicContact NH2-OE1 2.74Å; R336-E359 PolarHBondContact NH2-OE1 2.89Å; R336-P360 HydrophobicContact CG-CG 4.33Å
337	I	96.2	Very high	94.7	Very high	15 Å²	15	68 Å²	68	8%	0.077	35%	0.347	C	S	.	.	H	α-helix	trans	-107	-15.9	-173.4	59.4	169	0	0	0	114.2	I334 I357 T358	I334-I337 CarbonylContact O-C 3.57Å; I334-I337 VanDerWaalsContact O-CG1 3.25Å; I334-I337 WeakPolarHBondContact O-CG1 3.41Å; I334-I337 PolarHBondContact O-N 3.17Å; I337-I357 VanDerWaalsContact O-CA 3.28Å; I337-I357 WeakPolarHBondContact O-CA 3.4Å; I337-T358 CarbonylContact C-O 3.6Å; I337-T358 WeakPolarHBondContact CA-O 3.35Å; I337-T358 WeakPolarHBondContact CB-O 3.37Å; I337-T358 PolarHBondContact O-N 3.41Å
338	C	97.6	Very high	94.8	Very high	11 Å²	11	61 Å²	61	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	99.5	-174.8	-172.3	0	0	0	0	110.6	I334 T356 I357 I436	I334-C338 HydrophobicContact CG2-CB 3.79Å; I334-C338 VanDerWaalsContact O-CB 3.29Å; I334-C338 WeakPolarHBondContact O-CB 3.43Å; I334-C338 PolarHBondContact O-N 2.64Å; C338-T356 CarbonylContact C-O 3.5Å; C338-T356 WeakPolarHBondContact CA-O 3.41Å; C338-I357 HydrophobicContact CB-CG1 4.34Å; C338-I436 HydrophobicContact CB-CG2 4.31Å
339	H	96.1	Very high	94.9	Very high	119 Å²	119	63.5 Å²	63.5	55%	0.551	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.5	177.8	-173.4	74.6	0	0	0	111.4	T341 T356	H339-T341 VanDerWaalsContact CD2-CG2 3.46Å; H339-T341 WeakPolarHBondContact CD2-CG2 3.39Å; H339-T341 WeakPolarHBondContact NE2-CG2 3.33Å; H339-T356 PolarHBondContact N-O 2.82Å; H339-T356 PolarHBondContact O-N 3.36Å
340	Q	96.2	Very high	95.3	Very high	66 Å²	66	61.5 Å²	61.5	31%	0.308	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.1	-178.8	176.7	170.2	-43	0	0	112.3	L325 T329 L355	L325-Q340 PolarHBondContact O-OE1 2.95Å; T329-Q340 PolarHBondContact OG1-OE1 3.36Å; Q340-L355 HydrophobicContact CB-CD2 3.77Å; Q340-L355 HydrophobicContact CG-CD2 3.81Å
341	T	96.8	Very high	95.6	Very high	46 Å²	46	56 Å²	56	28%	0.282	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	166.7	179	61	0	0	0	0	111.6	H339 P353 L354	H339-T341 VanDerWaalsContact CD2-CG2 3.46Å; H339-T341 WeakPolarHBondContact CD2-CG2 3.39Å; H339-T341 WeakPolarHBondContact NE2-CG2 3.33Å; T341-P353 WeakPolarHBondContact O-CA 3.21Å; T341-L354 PolarHBondContact N-O 2.86Å; T341-L354 PolarHBondContact O-N 2.78Å; T341-L354 PolarHBondContact OG1-O 2.96Å
342	T	98	Very high	95.9	Very high	66 Å²	66	52.9 Å²	52.9	41%	0.405	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114	168.1	-66.6	0	0	0	0	109.8	C344 Y345	T342-C344 VanDerWaalsContact CG2-O 3.24Å; T342-C344 WeakPolarHBondContact CG2-O 3.13Å; T342-Y345 HydrophobicContact CG2-CD2 4.44Å; T342-Y345 HydrophobicContact CG2-CE1 4.26Å; T342-Y345 HydrophobicContact CG2-CE2 4.01Å
343	L	98.3	Very high	96.2	Very high	24 Å²	24	48.6 Å²	48.6	13%	0.126	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-42.2	178.8	175	59.1	0	0	0	112.4	V352 L354 V454 H493 T494 M497	L343-V352 HydrophobicContact CB-CB 4.48Å; L343-V352 HydrophobicContact CB-CG1 4.3Å; L343-V352 HydrophobicContact CD2-CG1 4.15Å; L343-V352 PolarHBondContact N-O 3.05Å; L343-L354 HydrophobicContact CB-CB 3.97Å; L343-L354 HydrophobicContact CD1-CD2 4.38Å; L343-V454 HydrophobicContact CD2-CG1 4.25Å; L343-V454 HydrophobicContact CD2-CG2 3.99Å; L343-H493 HydrophobicContact CD1-CB 4.1Å; L343-H493 HydrophobicContact CG-CB 4.04Å; L343-H493 PolarHBondContact O-ND1 2.81Å; L343-T494 WeakPolarHBondContact CD2-OG1 3.47Å; L343-M497 HydrophobicContact CD1-CB 3.83Å; L343-M497 HydrophobicContact CD1-CG 4.17Å
344	C	98	Very high	96.6	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	-179.7	178.7	65.5	0	0	0	0	110.4	T342 V352 T490 H493	T342-C344 VanDerWaalsContact CG2-O 3.24Å; T342-C344 WeakPolarHBondContact CG2-O 3.13Å; C344-V352 PolarHBondContact O-N 2.78Å; C344-T490 VanDerWaalsContact SG-CA 3.6Å; C344-H493 HydrophobicContact CB-CB 3.79Å; C344-H493 VanDerWaalsContact CB-CG 3.49Å
345	Y	98	Very high	96.8	Very high	115 Å²	115	43.7 Å²	43.7	45%	0.451	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.4	167.8	-64	-88.5	0	0	0	111	T342 N350 P489	T342-Y345 HydrophobicContact CG2-CD2 4.44Å; T342-Y345 HydrophobicContact CG2-CE1 4.26Å; T342-Y345 HydrophobicContact CG2-CE2 4.01Å; Y345-N350 CarbonylContact C-O 3.59Å; Y345-N350 VanDerWaalsContact CA-O 3.28Å; Y345-N350 WeakPolarHBondContact CA-O 3.44Å; Y345-P489 WeakPolarHBondContact O-CG 3.46Å
346	T	97.9	Very high	97.1	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	20%	0.196	C	C	.	.			trans	-76.9	-173.7	177.1	66	0	0	0	0	112.5	S349 N350 V352 P459 D460 T490	T346-S349 PolarHBondContact O-N 2.86Å; T346-S349 PolarHBondContact OG1-N 2.83Å; T346-N350 HydrophobicContact CG2-CB 4.24Å; T346-N350 WeakPolarHBondContact CG2-O 3.25Å; T346-N350 PolarHBondContact N-O 3.41Å; T346-N350 PolarHBondContact OG1-N 2.95Å; T346-N350 PolarHBondContact OG1-O 3.43Å; T346-V352 HydrophobicContact CG2-CG2 3.91Å; T346-P459 HydrophobicContact CG2-CB 4.11Å; T346-P459 HydrophobicContact CG2-CG 3.95Å; T346-D460 VanDerWaalsContact CB-CG 3.41Å; T346-D460 WeakPolarHBondContact CB-OD1 3.35Å; T346-D460 WeakPolarHBondContact CB-OD2 3.35Å; T346-D460 PolarHBondContact OG1-OD1 3.47Å; T346-D460 PolarHBondContact OG1-OD2 3.13Å; T346-D460 VanDerWaalsContact OG1-OD2 3.13Å; T346-T490 HydrophobicContact CG2-CG2 4.02Å
347	L	95.8	Very high	97.4	Very high	37 Å²	37	32 Å²	32	19%	0.194	17%	0.171	C	C	.	.	S	Bend	trans	-68.6	-39.4	176.7	-68.2	175.2	0	0	0	111.9	F144 S349 D460 L471 R486	F144-L347 HydrophobicContact CD1-CB 4.11Å; F144-L347 HydrophobicContact CE1-CB 4.17Å; F144-L347 WeakPolarHBondContact CE1-O 3.45Å; F144-L347 WeakPolarHBondContact CZ-O 3.35Å; L347-S349 PolarHBondContact O-N 2.77Å; L347-D460 PolarHBondContact N-OD2 3.34Å; L347-D460 VanDerWaalsContact N-OD2 3.12Å; L347-L471 HydrophobicContact CB-CB 4.44Å; L347-L471 HydrophobicContact CD1-CB 4.17Å; L347-R486 WeakPolarHBondContact CD2-O 3.44Å
348	A	95.6	Very high	97.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	18%	0.176	C	C	.	.	S	Bend	trans	-74.4	-6.1	172.3	0	0	0	0	0	113.6	K82 F144 S147 D460 L471	K82-A348 HydrophobicContact CB-CB 3.96Å; K82-A348 WeakPolarHBondContact CB-O 3.44Å; K82-A348 WeakPolarHBondContact CG-O 3.27Å; F144-A348 HydrophobicContact CE2-CB 4.42Å; F144-A348 HydrophobicContact CZ-CB 4.33Å; S147-A348 WeakPolarHBondContact CB-O 3.46Å; S147-A348 PolarHBondContact OG-O 2.91Å; A348-D460 PolarHBondContact N-OD2 2.88Å; A348-L471 HydrophobicContact CB-CD1 3.94Å
349	S	95.8	Very high	97.2	Very high	67 Å²	67	32.6 Å²	32.6	47%	0.469	18%	0.175	S	C	.	.			trans	70.9	32	-172.6	-48.6	0	0	0	0	115.3	T346 L347	T346-S349 PolarHBondContact O-N 2.86Å; T346-S349 PolarHBondContact OG1-N 2.83Å; L347-S349 PolarHBondContact O-N 2.77Å
350	N	96.6	Very high	96.8	Very high	6 Å²	6	29 Å²	29	3%	0.032	16%	0.163	C	C	.	.			trans	-75.3	149.6	160.3	-64	-62.9	0	0	0	109.3	K82 Y318 Y345 T346 P459 D460 I463	K82-N350 WeakPolarHBondContact CB-OD1 3.5Å; K82-N350 PolarHBondContact N-OD1 3.25Å; K82-N350 PolarHBondContact O-ND2 2.89Å; Y318-N350 HydrophobicContact CE1-CB 4.14Å; Y345-N350 CarbonylContact C-O 3.59Å; Y345-N350 VanDerWaalsContact CA-O 3.28Å; Y345-N350 WeakPolarHBondContact CA-O 3.44Å; T346-N350 HydrophobicContact CG2-CB 4.24Å; T346-N350 WeakPolarHBondContact CG2-O 3.25Å; T346-N350 PolarHBondContact N-O 3.41Å; T346-N350 PolarHBondContact OG1-N 2.95Å; T346-N350 PolarHBondContact OG1-O 3.43Å; N350-P459 HydrophobicContact CB-CB 4.1Å; N350-D460 PolarHBondContact ND2-OD1 2.68Å; N350-I463 VanDerWaalsContact ND2-CD1 3.34Å; N350-I463 WeakPolarHBondContact ND2-CD1 3.35Å
351	S	97.3	Very high	95.9	Very high	32 Å²	32	31 Å²	31	22%	0.224	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	140	178.5	52.1	0	0	0	0	111.7	Y318 P353	Y318-S351 WeakPolarHBondContact CE2-O 3.3Å; Y318-S351 PolarHBondContact OH-N 3.44Å; Y318-S351 VanDerWaalsContact OH-N 3.11Å; Y318-S351 PolarHBondContact OH-O 3.48Å; Y318-S351 PolarHBondContact OH-OG 3.29Å; Y318-S351 VanDerWaalsContact OH-OG 3.07Å; S351-P353 WeakPolarHBondContact O-CD 3.41Å
352	V	98.5	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	109.6	167.6	178.1	0	0	0	0	108.1	L343 C344 T346 V454 P459 T490	L343-V352 HydrophobicContact CB-CB 4.48Å; L343-V352 HydrophobicContact CB-CG1 4.3Å; L343-V352 HydrophobicContact CD2-CG1 4.15Å; L343-V352 PolarHBondContact N-O 3.05Å; C344-V352 PolarHBondContact O-N 2.78Å; T346-V352 HydrophobicContact CG2-CG2 3.91Å; V352-V454 HydrophobicContact CG1-CG1 3.61Å; V352-P459 HydrophobicContact CG2-CG 4.26Å; V352-T490 HydrophobicContact CG2-CG2 3.56Å
353	P	98.1	Very high	91.8	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.058	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	141.5	178.3	28	-32.3	0	0	0	111.4	L321 L325 T341 S351	L321-P353 HydrophobicContact CD2-CG 3.96Å; L325-P353 HydrophobicContact CD1-CB 3.64Å; L325-P353 HydrophobicContact CD1-CG 3.73Å; T341-P353 WeakPolarHBondContact O-CA 3.21Å; S351-P353 WeakPolarHBondContact O-CD 3.41Å
354	L	98.6	Very high	88.9	Confident	15 Å²	15	46.1 Å²	46.1	8%	0.079	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.5	166.6	164.1	67.1	0	0	0	108	T341 L343 K452 L453 V454 M497	T341-L354 PolarHBondContact N-O 2.86Å; T341-L354 PolarHBondContact O-N 2.78Å; T341-L354 PolarHBondContact OG1-O 2.96Å; L343-L354 HydrophobicContact CB-CB 3.97Å; L343-L354 HydrophobicContact CD1-CD2 4.38Å; L354-K452 HydrophobicContact CD1-CB 4.22Å; L354-K452 HydrophobicContact CD1-CD 4.38Å; L354-L453 WeakPolarHBondContact CA-O 3.46Å; L354-V454 HydrophobicContact CD1-CG2 4.07Å; L354-M497 HydrophobicContact CD1-CE 4.29Å; L354-M497 HydrophobicContact CD2-CG 4.06Å
355	L	98.6	Very high	86	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.2	170.1	-50.1	-176.8	0	0	0	109.5	L325 Q340 I357 M432 K452 L453 P455	L325-L355 HydrophobicContact CD2-CD1 3.81Å; L325-L355 HydrophobicContact CD2-CD2 3.92Å; L325-L355 HydrophobicContact CD2-CG 4.32Å; Q340-L355 HydrophobicContact CB-CD2 3.77Å; Q340-L355 HydrophobicContact CG-CD2 3.81Å; L355-I357 HydrophobicContact CB-CG1 4.34Å; L355-M432 HydrophobicContact CD1-CG 4.28Å; L355-M432 HydrophobicContact CD1-SD 3.6Å; L355-K452 WeakPolarHBondContact O-CA 3.38Å; L355-L453 HydrophobicContact CB-CB 4.26Å; L355-L453 PolarHBondContact N-O 2.98Å; L355-L453 PolarHBondContact O-N 3.03Å; L355-P455 HydrophobicContact CD1-CG 4.47Å
356	T	98.3	Very high	82.9	Confident	22 Å²	22	53.2 Å²	53.2	14%	0.135	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.5	161.6	-56.2	0	0	0	0	107.7	C338 H339 V450 F451 K452	C338-T356 CarbonylContact C-O 3.5Å; C338-T356 WeakPolarHBondContact CA-O 3.41Å; H339-T356 PolarHBondContact N-O 2.82Å; H339-T356 PolarHBondContact O-N 3.36Å; T356-V450 HydrophobicContact CG2-CG1 3.71Å; T356-F451 VanDerWaalsContact CA-O 3.28Å; T356-F451 WeakPolarHBondContact CA-O 3.41Å; T356-K452 HydrophobicContact CG2-CD 4.23Å; T356-K452 PolarHBondContact OG1-NZ 2.83Å
357	I	98.1	Very high	79.8	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124	176.3	-47	-178.8	0	0	0	109.2	I337 C338 L355 L435 I436 R446 F451 L453	I337-I357 VanDerWaalsContact O-CA 3.28Å; I337-I357 WeakPolarHBondContact O-CA 3.4Å; C338-I357 HydrophobicContact CB-CG1 4.34Å; L355-I357 HydrophobicContact CB-CG1 4.34Å; I357-L435 HydrophobicContact CD1-CB 4.17Å; I357-L435 HydrophobicContact CG2-CB 4.28Å; I357-I436 HydrophobicContact CD1-CG2 3.89Å; I357-R446 HydrophobicContact CG2-CG 4.16Å; I357-F451 HydrophobicContact CB-CB 4.18Å; I357-F451 PolarHBondContact N-O 3.27Å; I357-F451 WeakPolarHBondContact O-CB 3.27Å; I357-F451 PolarHBondContact O-N 2.76Å; I357-L453 HydrophobicContact CD1-CD1 3.69Å; I357-L453 HydrophobicContact CG1-CD1 4.38Å
358	T	97	Very high	76.6	Confident	28 Å²	28	61.4 Å²	61.4	17%	0.172	35%	0.347	C	S	.	.			trans	-164.9	164.6	177.5	-164.3	0	0	0	0	108.2	I337 R446 F449	I337-T358 CarbonylContact C-O 3.6Å; I337-T358 WeakPolarHBondContact CA-O 3.35Å; I337-T358 WeakPolarHBondContact CB-O 3.37Å; I337-T358 PolarHBondContact O-N 3.41Å; T358-R446 PolarHBondContact OG1-O 2.85Å; T358-R446 VanDerWaalsContact OG1-O 3.04Å; T358-F449 WeakPolarHBondContact CB-O 3.47Å; T358-F449 PolarHBondContact OG1-O 3.31Å
359	E	93.5	Very high	73.5	Confident	11 Å²	11	68.3 Å²	68.3	5%	0.051	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-80.5	142.6	166.5	-153.5	63.1	-135.4	0	0	106.6	R336 K408 R446	R336-E359 IonicContact CZ-OE1 2.67Å; R336-E359 IonicContact NE-OE1 3.12Å; R336-E359 IonicContact NH2-OE1 2.74Å; R336-E359 PolarHBondContact NH2-OE1 2.89Å; E359-K408 PolarHBondContact O-NZ 3.11Å; E359-R446 HydrophobicContact CB-CB 4.08Å; E359-R446 PolarHBondContact N-O 3.5Å; E359-R446 IonicContact OE2-CZ 3.79Å; E359-R446 VanDerWaalsContact OE2-CZ 3.31Å; E359-R446 IonicContact OE2-NE 2.79Å; E359-R446 PolarHBondContact OE2-NE 2.86Å; E359-R446 IonicContact OE2-NH2 3.99Å; E359-R446 PolarHBondContact OE2-NH2 3.26Å
360	P	87	Confident	70.4	Confident	45 Å²	45	71.4 Å²	71.4	29%	0.292	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-53.5	164.6	169.6	23.2	-34.7	0	0	0	111.8	R336 K408	R336-P360 HydrophobicContact CG-CG 4.33Å; P360-K408 PolarHBondContact O-NZ 3.05Å
361	D	78.4	Confident	67.3	Low	106 Å²	106	78.7 Å²	78.7	57%	0.567	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-89.5	130.4	166.8	-58.1	-52.4	0	0	0	107.3	Y363 K408	D361-Y363 HydrophobicContact CB-CD2 4.01Å; D361-Y363 PolarHBondContact O-N 3.09Å; D361-K408 WeakPolarHBondContact OD1-CE 3.23Å; D361-K408 IonicContact OD1-NZ 3.92Å; D361-K408 PolarHBondContact OD1-NZ 3.21Å
362	D	59.8	Low	64.1	Low	147 Å²	147	85.2 Å²	85.2	79%	0.786	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	29.1	-165.3	-56.6	-58.2	0	0	0	114.9
363	Y	49.4	Very low	61	Low	163 Å²	163	89.6 Å²	89.6	64%	0.639	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-6.4	-168	-75.9	-69.4	0	0	0	116.1	D361	D361-Y363 HydrophobicContact CB-CD2 4.01Å; D361-Y363 PolarHBondContact O-N 3.09Å
364	D	36.4	Very low	57.7	Low	144 Å²	144	96 Å²	96	77%	0.77	53%	0.531	S	S	*	.	S	Bend	trans	-114.4	4.6	-170.3	-77.2	-45.1	0	0	0	115.6
365	E	37.3	Very low	54.6	Low	173 Å²	173	101.2 Å²	101.2	81%	0.808	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	7.1	176.7	-73.8	-175	-179.7	0	0	114.1
366	C	32.4	Very low	51.3	Low	101 Å²	101	107.3 Å²	107.3	68%	0.682	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	8.6	-179.2	60.4	0	0	0	0	115.9
367	N	32.4	Very low	48.2	Very low	153 Å²	153	112.7 Å²	112.7	82%	0.818	62%	0.619	S	S	*	*	S	Bend	trans	-117.8	38.5	172.3	-80.1	-53.6	0	0	0	111.6
368	G	28.7	Very low	45.1	Very low	67 Å²	67	119.3 Å²	119.3	69%	0.691	65%	0.654	S	S	*	*			trans	-117.1	9.9	-169.4	0	0	0	0	0	116.4
369	N	30.8	Very low	41.9	Very low	146 Å²	146	123.7 Å²	123.7	78%	0.781	68%	0.681	S	S	*	*			trans	-87.3	126.4	176.7	-80	37.4	0	0	0	111.7
370	D	31.2	Very low	39	Very low	131 Å²	131	130 Å²	130	70%	0.701	72%	0.715	S	S	*	*			trans	43.4	103.3	142.8	-48.3	-43.2	0	0	0	118.7
371	N	32.1	Very low	36.5	Very low	159 Å²	159	135.8 Å²	135.8	85%	0.85	74%	0.738	S	S	*	*				-161.9	111.3	125	-100	-55.1	0	0	0	110.1
372	N	28.3	Very low	34.1	Very low	169 Å²	169	137.8 Å²	137.8	90%	0.904	75%	0.748	S	S	*	*			trans	-127.8	57.5	-179	-169.6	30.7	0	0	0	110.8
373	S	33.9	Very low	32.6	Very low	92 Å²	92	136.1 Å²	136.1	64%	0.643	74%	0.743	S	S	*	*			trans	-158	104.9	176.7	55.2	0	0	0	0	112.2
374	N	28.5	Very low	31.6	Very low	145 Å²	145	135.5 Å²	135.5	78%	0.775	75%	0.751	S	S	*	*			trans	46.8	142.9	133.6	-78.8	35.3	0	0	0	124
375	D	33.7	Very low	31.4	Very low	123 Å²	123	138.9 Å²	138.9	66%	0.658	76%	0.759	S	S	*	*			trans	79.9	97.6	139.9	-64.7	-30.2	0	0	0	122.1
376	N	30.8	Very low	31	Very low	128 Å²	128	135.3 Å²	135.3	68%	0.684	75%	0.753	S	S	*	*				85.3	122.4	121.1	-62.1	-39.2	0	0	0	123.1
377	N	32.6	Very low	30.8	Very low	136 Å²	136	139.2 Å²	139.2	73%	0.727	76%	0.761	S	S	*	*			trans	88.8	130.3	138.5	-62.7	-19.2	0	0	0	123.3
378	N	32	Very low	30.5	Very low	139 Å²	139	137.6 Å²	137.6	74%	0.743	76%	0.762	S	S	*	*			trans	71.2	91.9	142.2	-62.1	-7.7	0	0	0	122.6
379	V	31.1	Very low	30.4	Very low	119 Å²	119	137.9 Å²	137.9	72%	0.721	77%	0.765	S	S	*	*				54.1	118.7	99.4	178.6	0	0	0	0	120.1
380	D	31.2	Very low	30.6	Very low	144 Å²	144	141.1 Å²	141.1	77%	0.77	77%	0.772	S	S	*	*			trans	85.1	153.2	146.3	-78.1	-9.4	0	0	0	125.4
381	Q	34.5	Very low	30.4	Very low	166 Å²	166	143.4 Å²	143.4	78%	0.776	78%	0.779	S	S	*	*			trans	87.5	86	156.4	-80.8	169.2	79.8	0	0	122.5
382	L	28.1	Very low	30.5	Very low	148 Å²	148	142.8 Å²	142.8	78%	0.775	78%	0.781	S	S	*	*				58.1	131.3	108.6	-75.3	158.9	0	0	0	123.2
383	T	28.5	Very low	30.7	Very low	113 Å²	113	143.6 Å²	143.6	69%	0.693	78%	0.779	S	S	*	*			trans	79.5	113	141.1	48.7	0	0	0	0	123.6
384	N	28.5	Very low	30.7	Very low	150 Å²	150	145 Å²	145	80%	0.802	79%	0.786	S	S	*	*				39.3	120.1	124.7	-58.6	-8.2	0	0	0	121
385	K	32.9	Very low	31	Very low	215 Å²	215	144.5 Å²	144.5	94%	0.935	79%	0.788	S	S	*	*			trans	-150.9	172.4	136.9	-118.2	168.7	-171.7	175	0	112.2
386	S	28.6	Very low	30.9	Very low	98 Å²	98	145.8 Å²	145.8	69%	0.685	80%	0.795	S	S	*	*			trans	-123.8	152.7	-147.9	-44.8	0	0	0	0	115.5
387	Q	29.2	Very low	30.9	Very low	182 Å²	182	146.1 Å²	146.1	85%	0.85	80%	0.797	S	S	*	*			trans	75.1	137.4	143.7	-78.4	173.3	-50.2	0	0	122.8
388	S	26	Very low	31	Very low	119 Å²	119	147.4 Å²	147.4	83%	0.832	80%	0.804	S	S	*	*			trans	64.3	105.5	144.1	60.5	0	0	0	0	120.9
389	G	26.8	Very low	31	Very low	73 Å²	73	146.7 Å²	146.7	75%	0.753	80%	0.8	S	S	*	*				117.5	110.6	98.2	0	0	0	0	0	117.7
390	F	34.4	Very low	31	Very low	214 Å²	214	147 Å²	147	94%	0.939	80%	0.798	S	S	*	*				-155.4	161.1	129.2	-130.7	-92.5	0	0	0	110.6
391	Q	27.8	Very low	31.1	Very low	180 Å²	180	149.4 Å²	149.4	84%	0.841	80%	0.797	S	S	*	*			trans	-105.3	133.4	176.7	-69.6	176.4	-32.1	0	0	111
392	T	33.9	Very low	31.2	Very low	145 Å²	145	148 Å²	148	89%	0.89	80%	0.795	S	S	*	*			trans	-140.4	136.6	154.7	47.1	0	0	0	0	108.8
393	Q	32	Very low	31.3	Very low	186 Å²	186	149.2 Å²	149.2	87%	0.869	80%	0.795	S	S	*	*			trans	-81.6	164	177.9	-98.7	-173	-9.3	0	0	112
394	P	33.5	Very low	31.5	Very low	121 Å²	121	149.2 Å²	149.2	79%	0.786	80%	0.796	S	S	*	*			trans	-78.5	153.9	-164.4	32	-36.7	0	0	0	113.7
395	T	34.6	Very low	32.5	Very low	135 Å²	135	147 Å²	147	83%	0.828	79%	0.788	S	S	*	*			trans	-124.6	151.3	161.1	53.7	0	0	0	0	108.9
396	D	31.1	Very low	33.9	Very low	150 Å²	150	145.7 Å²	145.7	80%	0.802	79%	0.786	S	S	*	*			trans	-76	-169.3	-166.3	-57.3	-87.4	0	0	0	115.3
397	D	31.6	Very low	36.2	Very low	135 Å²	135	148.9 Å²	148.9	72%	0.722	79%	0.787	S	S	*	*			trans	65.4	71.6	165.6	-65.6	-29.4	0	0	0	117.9
398	N	35	Very low	39.2	Very low	164 Å²	164	142 Å²	142	88%	0.877	75%	0.754	S	S	*	*				-144.8	97.3	123.1	-109.4	-69.1	0	0	0	112	N400	N398-N400 PolarHBondContact O-N 2.8Å
399	N	31.2	Very low	42.5	Very low	123 Å²	123	139.9 Å²	139.9	66%	0.658	73%	0.728	S	S	*	*			trans	-71.3	76.3	171.6	-95.5	-63.1	0	0	0	110.6	Y401	N399-Y401 VanDerWaalsContact C-N 3.27Å; N399-Y401 HydrophobicContact CB-CD2 4.29Å; N399-Y401 HydrophobicContact CB-CE2 4.26Å; N399-Y401 PolarHBondContact O-N 3.29Å
400	N	31.5	Very low	45.9	Very low	126 Å²	126	136.4 Å²	136.4	67%	0.674	69%	0.692	S	S	*	*			trans	-67.5	91.2	165.1	-173.7	0.5	0	0	0	108.7	N398 N402	N398-N400 PolarHBondContact O-N 2.8Å; N400-N402 PolarHBondContact O-N 3.19Å
401	Y	34	Very low	48.9	Very low	194 Å²	194	126.2 Å²	126.2	76%	0.761	65%	0.648	S	S	*	*			trans	-65.4	80.3	173.3	-89.6	-80	0	0	0	110	N399 K403	N399-Y401 VanDerWaalsContact C-N 3.27Å; N399-Y401 HydrophobicContact CB-CD2 4.29Å; N399-Y401 HydrophobicContact CB-CE2 4.26Å; N399-Y401 PolarHBondContact O-N 3.29Å; Y401-K403 PolarHBondContact O-N 2.91Å
402	N	35.4	Very low	52.3	Low	136 Å²	136	117.7 Å²	117.7	73%	0.727	61%	0.608	S	S	*	*			trans	-65	61.3	156.3	-81.5	-40.9	0	0	0	109.5	N400 P404	N400-N402 PolarHBondContact O-N 3.19Å; N402-P404 WeakPolarHBondContact O-CD 3.17Å; N402-P404 VanDerWaalsContact O-N 3.17Å
403	K	30.5	Very low	55.4	Low	175 Å²	175	110.8 Å²	110.8	76%	0.761	57%	0.565	S	S	*	*			trans	-61.9	112.2	167.2	-169.5	-176.8	-173.8	-172.4	0	105	Y401 T405	Y401-K403 PolarHBondContact O-N 2.91Å; K403-T405 PolarHBondContact O-N 3.1Å
404	P	34	Very low	58.6	Low	113 Å²	113	101.9 Å²	101.9	73%	0.734	52%	0.524	S	S	*	.			trans	-60	117.7	-173.4	23.9	-33.2	0	0	0	107.9	N402 E406	N402-P404 WeakPolarHBondContact O-CD 3.17Å; N402-P404 VanDerWaalsContact O-N 3.17Å; P404-E406 PolarHBondContact O-N 3.15Å
405	T	47.6	Very low	61.7	Low	102 Å²	102	96.1 Å²	96.1	63%	0.626	49%	0.486	S	S	*	.			trans	-58.9	107.6	177.7	48.4	0	0	0	0	107.7	K403 K407	K403-T405 PolarHBondContact O-N 3.1Å; T405-K407 PolarHBondContact O-N 3.35Å; T405-K407 VanDerWaalsContact O-N 3.1Å
406	E	63.6	Low	64.7	Low	189 Å²	189	89.8 Å²	89.8	88%	0.883	45%	0.447	S	S	*	.			trans	-55.5	121.5	-179.2	-72.8	-170.3	122.4	0	0	108.5	P404 K408	P404-E406 PolarHBondContact O-N 3.15Å; E406-K408 PolarHBondContact O-N 3.17Å; E406-K408 VanDerWaalsContact O-N 3.13Å
407	K	76.8	Confident	67.9	Low	164 Å²	164	82.7 Å²	82.7	71%	0.713	41%	0.409	S	S	*	.			trans	-57.3	124.1	-175.8	-78.6	-174	171.1	-176	0	109.5	T405 R409	T405-K407 PolarHBondContact O-N 3.35Å; T405-K407 VanDerWaalsContact O-N 3.1Å; K407-R409 PolarHBondContact O-N 3.13Å
408	K	92	Very high	71.1	Confident	37 Å²	37	76.4 Å²	76.4	16%	0.161	38%	0.375	C	S	.	.			trans	-40.2	130.9	169.2	-74.6	172	173.8	162.2	0	109.5	E359 P360 D361 E406 S447 N448 V450 Y505	E359-K408 PolarHBondContact O-NZ 3.11Å; P360-K408 PolarHBondContact O-NZ 3.05Å; D361-K408 WeakPolarHBondContact OD1-CE 3.23Å; D361-K408 IonicContact OD1-NZ 3.92Å; D361-K408 PolarHBondContact OD1-NZ 3.21Å; E406-K408 PolarHBondContact O-N 3.17Å; E406-K408 VanDerWaalsContact O-N 3.13Å; K408-S447 WeakPolarHBondContact CE-O 3.33Å; K408-S447 WeakPolarHBondContact CG-O 3.33Å; K408-N448 WeakPolarHBondContact CA-O 3.49Å; K408-V450 HydrophobicContact CB-CG2 4.11Å; K408-Y505 WeakPolarHBondContact O-CD1 3.35Å
409	R	95.3	Very high	74.1	Confident	76 Å²	76	68.7 Å²	68.7	29%	0.287	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	173	180	-68.6	177.7	-70.1	168.7	-5.7	109.6	K407 N448 F449 V450 E506 V508	K407-R409 PolarHBondContact O-N 3.13Å; R409-N448 PolarHBondContact N-O 2.96Å; R409-F449 HydrophobicContact CB-CD1 3.84Å; R409-F449 HydrophobicContact CB-CE1 3.89Å; R409-F449 CarbonylContact O-C 3.54Å; R409-F449 VanDerWaalsContact O-CA 3.24Å; R409-F449 WeakPolarHBondContact O-CA 3.44Å; R409-V450 PolarHBondContact O-N 3.4Å; R409-E506 WeakPolarHBondContact CD-OE2 3.34Å; R409-E506 HydrophobicContact CG-CB 4.35Å; R409-V508 HydrophobicContact CB-CG2 3.73Å; R409-V508 HydrophobicContact CG-CG2 4.16Å
410	C	97.8	Very high	77.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.4	-178.8	-172.6	0	0	0	0	112.6	V450 V501 Y505 E506 V507 V508	C410-V450 VanDerWaalsContact CA-O 3.3Å; C410-V450 WeakPolarHBondContact CA-O 3.44Å; C410-V450 PolarHBondContact SG-O 3.26Å; C410-V501 HydrophobicContact CB-CG1 3.91Å; C410-V501 WeakPolarHBondContact SG-CG1 3.22Å; C410-Y505 HydrophobicContact CB-CG 4.43Å; C410-E506 PolarHBondContact N-O 3.41Å; C410-V507 HydrophobicContact CB-CG2 4.06Å; C410-V507 CarbonylContact O-C 3.52Å; C410-V507 WeakPolarHBondContact O-CA 3.41Å; C410-V508 PolarHBondContact O-N 3.06Å
411	V	98.7	Very high	80.5	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.5	168.7	171.5	0	0	0	0	108.3	I413 F449 V450 F451 K452 V509 L619	V411-I413 HydrophobicContact CG1-CD1 3.97Å; V411-I413 HydrophobicContact CG1-CG1 3.88Å; V411-F449 HydrophobicContact CG2-CD1 3.72Å; V411-F449 HydrophobicContact CG2-CE1 3.68Å; V411-F449 HydrophobicContact CG2-CG 4.16Å; V411-F449 HydrophobicContact CG2-CZ 4.07Å; V411-V450 PolarHBondContact N-O 3.21Å; V411-V450 VanDerWaalsContact N-O 3.12Å; V411-F451 HydrophobicContact CB-CD1 3.75Å; V411-F451 HydrophobicContact CB-CE1 3.82Å; V411-F451 HydrophobicContact CG1-CD1 3.86Å; V411-F451 HydrophobicContact CG1-CE1 3.89Å; V411-F451 HydrophobicContact CG2-CE1 4.18Å; V411-F451 CarbonylContact O-C 3.49Å; V411-F451 WeakPolarHBondContact O-CA 3.24Å; V411-K452 PolarHBondContact O-N 3.35Å; V411-V509 HydrophobicContact CG1-CB 4.47Å; V411-L619 HydrophobicContact CG1-CD1 4.14Å; V411-L619 HydrophobicContact CG2-CD1 4.11Å; V411-L619 HydrophobicContact CG2-CD2 4.05Å
412	V	98.8	Very high	83.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.2	179	-175.1	0	0	0	0	110	K452 M497 I498 V507 V509 Y510 C511	V412-K452 WeakPolarHBondContact CA-O 3.43Å; V412-K452 HydrophobicContact CG2-CB 4.28Å; V412-M497 HydrophobicContact CG1-CE 4.17Å; V412-I498 HydrophobicContact CG1-CD1 4.04Å; V412-I498 HydrophobicContact CG1-CG1 3.94Å; V412-I498 HydrophobicContact CG2-CG1 4.46Å; V412-V507 HydrophobicContact CG2-CG1 3.86Å; V412-V507 HydrophobicContact CG2-CG2 4.43Å; V412-V509 PolarHBondContact N-O 3.35Å; V412-Y510 HydrophobicContact CB-CD2 4.12Å; V412-Y510 HydrophobicContact CG1-CD2 3.96Å; V412-Y510 HydrophobicContact CG1-CE2 4.37Å; V412-Y510 CarbonylContact O-C 3.6Å; V412-Y510 WeakPolarHBondContact O-CA 3.42Å; V412-C511 PolarHBondContact O-N 2.9Å
413	I	98.9	Very high	86.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.3	178.9	-47.9	-178.9	0	0	0	110.2	V411 M428 L431 K452 L453 V454 C511 L513 F615	V411-I413 HydrophobicContact CG1-CD1 3.97Å; V411-I413 HydrophobicContact CG1-CG1 3.88Å; I413-M428 HydrophobicContact CB-CE 4.09Å; I413-M428 HydrophobicContact CG2-CE 3.64Å; I413-L431 HydrophobicContact CD1-CD1 3.35Å; I413-L431 HydrophobicContact CD1-CD2 3.9Å; I413-L431 HydrophobicContact CD1-CG 4.29Å; I413-K452 PolarHBondContact N-O 3.01Å; I413-L453 HydrophobicContact CB-CD2 3.83Å; I413-L453 HydrophobicContact CD1-CD2 4.14Å; I413-L453 HydrophobicContact CG1-CD2 4.06Å; I413-L453 WeakPolarHBondContact O-CA 3.3Å; I413-V454 PolarHBondContact O-N 3.4Å; I413-C511 WeakPolarHBondContact CA-O 3.44Å; I413-C511 HydrophobicContact CG2-CB 4.43Å; I413-L513 HydrophobicContact CG2-CD1 3.77Å; I413-L513 HydrophobicContact CG2-CD2 4.12Å; I413-L513 HydrophobicContact CG2-CG 3.7Å; I413-F615 HydrophobicContact CD1-CD1 4.07Å; I413-F615 HydrophobicContact CD1-CE1 3.62Å; I413-F615 HydrophobicContact CD1-CZ 4.29Å; I413-F615 HydrophobicContact CG1-CE1 4.49Å
414	T	98.9	Very high	89.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152.3	179.1	56.9	0	0	0	0	110.4	V454 L457 T494 Y510 C511 D512 L513	T414-V454 HydrophobicContact CG2-CB 4.18Å; T414-V454 HydrophobicContact CG2-CG2 4.41Å; T414-L457 HydrophobicContact CG2-CD1 4.11Å; T414-T494 HydrophobicContact CG2-CG2 3.91Å; T414-Y510 HydrophobicContact CG2-CE2 4.09Å; T414-Y510 PolarHBondContact OG1-OH 3.12Å; T414-C511 PolarHBondContact N-O 2.92Å; T414-D512 WeakPolarHBondContact OG1-CA 3.14Å; T414-D512 VanDerWaalsContact OG1-CG 3.24Å; T414-D512 PolarHBondContact OG1-OD1 2.67Å; T414-L513 WeakPolarHBondContact O-CB 3.42Å; T414-L513 WeakPolarHBondContact O-CG 3.09Å; T414-L513 PolarHBondContact O-N 3.16Å
415	A	98.9	Very high	92.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	160.3	178.3	0	0	0	0	0	113.3	V417 M428 V454 M456 L457 L513	A415-V417 VanDerWaalsContact C-N 3.35Å; A415-V417 PolarHBondContact O-N 3.14Å; A415-M428 HydrophobicContact CB-CB 4.17Å; A415-M428 HydrophobicContact CB-CE 3.82Å; A415-V454 PolarHBondContact N-O 2.94Å; A415-M456 CarbonylContact O-C 3.53Å; A415-M456 WeakPolarHBondContact O-CA 3.45Å; A415-L457 PolarHBondContact O-N 3.15Å; A415-L513 HydrophobicContact CB-CB 3.95Å; A415-L513 HydrophobicContact CB-CD1 4.39Å
416	R	98.3	Very high	95.3	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.008	10%	0.103	C	C	.	.			trans	51.4	45.1	174.1	-58.5	-73.8	-73.9	-74.5	5.5	114.2	Y316 H418 P419 E421 S425 M456 N458 V462	Y316-R416 PolarHBondContact O-NH1 3.4Å; Y316-R416 PolarHBondContact O-NH2 3.17Å; R416-H418 VanDerWaalsContact C-N 3.31Å; R416-H418 CarbonylContact C-O 3.53Å; R416-P419 VanDerWaalsContact CZ-O 3.27Å; R416-P419 PolarHBondContact NE-O 2.89Å; R416-P419 PolarHBondContact NH2-O 2.76Å; R416-E421 WeakPolarHBondContact CD-O 3.28Å; R416-S425 WeakPolarHBondContact CG-OG 3.19Å; R416-S425 PolarHBondContact NH1-OG 3.37Å; R416-M456 HydrophobicContact CB-CG 3.95Å; R416-N458 WeakPolarHBondContact O-CB 3.29Å; R416-N458 PolarHBondContact O-N 3.49Å; R416-N458 VanDerWaalsContact O-N 3.14Å; R416-V462 VanDerWaalsContact NH2-CG2 3.34Å
417	V	98.3	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	-68.3	-35.5	166	62.6	0	0	0	0	111.1	A415 L457 N458 L476 N477 I491 H514	A415-V417 VanDerWaalsContact C-N 3.35Å; A415-V417 PolarHBondContact O-N 3.14Å; V417-L457 HydrophobicContact CB-CB 3.94Å; V417-L457 HydrophobicContact CB-CD1 3.82Å; V417-L457 HydrophobicContact CG2-CB 4.41Å; V417-L457 HydrophobicContact CG2-CD1 4.28Å; V417-N458 WeakPolarHBondContact O-CB 3.47Å; V417-N458 PolarHBondContact O-ND2 2.88Å; V417-N458 VanDerWaalsContact O-ND2 3.13Å; V417-L476 HydrophobicContact CG2-CB 3.45Å; V417-L476 VanDerWaalsContact CG2-CB 3.45Å; V417-L476 HydrophobicContact CG2-CD1 4.48Å; V417-N477 HydrophobicContact CG1-CB 3.85Å; V417-N477 HydrophobicContact CG2-CB 3.95Å; V417-I491 HydrophobicContact CG2-CD1 3.79Å; V417-H514 WeakPolarHBondContact CG1-CE1 3.47Å; V417-H514 WeakPolarHBondContact CG1-NE2 3.14Å
418	H	98.1	Very high	98	Very high	3 Å²	3	6.8 Å²	6.8	1%	0.014	3%	0.028	C	C	.	.	S	Bend	trans	-90.3	126.8	159.1	-50.5	146.5	0	0	0	109.3	R416 E421 R468 D475 H514	R416-H418 VanDerWaalsContact C-N 3.31Å; R416-H418 CarbonylContact C-O 3.53Å; H418-E421 HydrophobicContact CB-CB 4.31Å; H418-E421 HydrophobicContact CB-CG 4.06Å; H418-E421 IonicContact CE1-OE2 3.69Å; H418-E421 IonicContact CG-OE1 2.68Å; H418-E421 IonicContact CG-OE2 2.7Å; H418-E421 IonicContact ND1-OE1 3.67Å; H418-E421 PolarHBondContact ND1-OE1 2.99Å; H418-E421 IonicContact ND1-OE2 3.5Å; H418-E421 PolarHBondContact ND1-OE2 3.08Å; H418-R468 PolarHBondContact CE1-NH1 3.35Å; H418-R468 PolarHBondContact CE1-NH2 2.96Å; H418-R468 VanDerWaalsContact CE1-NH2 3.25Å; H418-R468 PolarHBondContact ND1-NH1 3.37Å; H418-R468 VanDerWaalsContact NE2-CZ 3.33Å; H418-R468 PolarHBondContact NE2-NE 2.84Å; H418-R468 PolarHBondContact NE2-NH2 2.91Å; H418-D475 IonicContact CD2-OD1 2.67Å; H418-D475 IonicContact NE2-OD1 3.12Å; H418-D475 PolarHBondContact NE2-OD1 3.48Å; H418-D475 IonicContact NE2-OD2 2.74Å; H418-H514 AromaticContact CE1-CE1 3.13Å; H418-H514 PolarHBondContact CE1-CE1 3.5Å; H418-H514 AromaticContact CE1-ND1 3.53Å; H418-H514 AromaticContact CG-CE1 3.84Å; H418-H514 AromaticContact ND1-CE1 3.22Å; H418-H514 PolarHBondContact ND1-CE1 3.37Å; H418-H514 AromaticContact ND1-ND1 3.29Å; H418-H514 PolarHBondContact ND1-ND1 2.89Å; H418-H514 AromaticContact NE2-CE1 3.75Å
419	P	98.3	Very high	98.3	Very high	2 Å²	2	7 Å²	7	1%	0.013	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-33.9	-170.8	23.4	-30.8	0	0	0	114.7	R416 E421 V462 N466 Y467 R468	R416-P419 VanDerWaalsContact CZ-O 3.27Å; R416-P419 PolarHBondContact NE-O 2.89Å; R416-P419 PolarHBondContact NH2-O 2.76Å; P419-E421 VanDerWaalsContact C-N 3.29Å; P419-E421 PolarHBondContact O-N 3.1Å; P419-V462 HydrophobicContact CB-CB 4.4Å; P419-V462 HydrophobicContact CB-CG2 3.67Å; P419-V462 VanDerWaalsContact CB-N 3.32Å; P419-N466 HydrophobicContact CB-CB 4.46Å; P419-N466 HydrophobicContact CG-CB 3.59Å; P419-N466 WeakPolarHBondContact CG-O 3.26Å; P419-Y467 VanDerWaalsContact CD-O 3.26Å; P419-Y467 WeakPolarHBondContact CD-O 3.44Å; P419-R468 WeakPolarHBondContact CD-O 3.42Å
420	G	97.7	Very high	98.5	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.01	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	5.5	-179.5	0	0	0	0	0	115	T422 N466 Y467 F589	G420-T422 PolarHBondContact O-N 3.05Å; G420-N466 PolarHBondContact N-O 3.13Å; G420-Y467 PolarHBondContact N-O 2.71Å; G420-F589 WeakPolarHBondContact O-CZ 3.35Å
421	E	98.2	Very high	98.5	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.009	2%	0.02	C	C	.	.			trans	-95.4	61	-179.9	-72.4	172.5	-161.3	0	0	110.5	R416 H418 P419 Q423 G424 Y467 R468 H514 G515 F589	R416-E421 WeakPolarHBondContact CD-O 3.28Å; H418-E421 HydrophobicContact CB-CB 4.31Å; H418-E421 HydrophobicContact CB-CG 4.06Å; H418-E421 IonicContact CE1-OE2 3.69Å; H418-E421 IonicContact CG-OE1 2.68Å; H418-E421 IonicContact CG-OE2 2.7Å; H418-E421 IonicContact ND1-OE1 3.67Å; H418-E421 PolarHBondContact ND1-OE1 2.99Å; H418-E421 IonicContact ND1-OE2 3.5Å; H418-E421 PolarHBondContact ND1-OE2 3.08Å; P419-E421 VanDerWaalsContact C-N 3.29Å; P419-E421 PolarHBondContact O-N 3.1Å; E421-Q423 VanDerWaalsContact C-N 3.3Å; E421-Q423 PolarHBondContact O-N 3.45Å; E421-G424 PolarHBondContact O-N 2.95Å; E421-G424 VanDerWaalsContact O-N 3.07Å; E421-Y467 HydrophobicContact CG-CE2 4.01Å; E421-Y467 PolarHBondContact OE1-OH 3.1Å; E421-R468 IonicContact OE1-NH1 3.16Å; E421-R468 PolarHBondContact OE1-NH1 2.83Å; E421-H514 IonicContact OE2-CE1 3.91Å; E421-H514 IonicContact OE2-CG 2.64Å; E421-H514 IonicContact OE2-ND1 3.88Å; E421-H514 PolarHBondContact OE2-ND1 2.97Å; E421-G515 VanDerWaalsContact CD-O 3.23Å; E421-G515 PolarHBondContact OE2-N 3.13Å; E421-F589 HydrophobicContact CG-CE2 4.08Å; E421-F589 HydrophobicContact CG-CZ 3.96Å
422	T	98.5	Very high	98.5	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.8	-165.8	58.8	0	0	0	0	115.1	W204 C313 Y314 G420 G424 S425 W426	W204-T422 HydrophobicContact CH2-CG2 3.55Å; W204-T422 HydrophobicContact CZ2-CG2 4.33Å; W204-T422 HydrophobicContact CZ3-CG2 3.68Å; C313-T422 WeakPolarHBondContact CB-OG1 3.4Å; Y314-T422 WeakPolarHBondContact O-CB 3.04Å; Y314-T422 PolarHBondContact O-OG1 3.06Å; G420-T422 PolarHBondContact O-N 3.05Å; T422-G424 PolarHBondContact O-N 3.36Å; T422-G424 VanDerWaalsContact O-N 3.08Å; T422-S425 WeakPolarHBondContact O-CB 3.23Å; T422-S425 PolarHBondContact O-N 3.37Å; T422-W426 PolarHBondContact O-N 2.82Å
423	Q	98.2	Very high	98.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-49.5	-30.8	171.4	54.7	-76.3	-14.5	0	0	113.5	C313 E421 S425 W426 M427 A587 F608	C313-Q423 PolarHBondContact SG-OE1 3.15Å; C313-Q423 VanDerWaalsContact SG-OE1 3.33Å; E421-Q423 VanDerWaalsContact C-N 3.3Å; E421-Q423 PolarHBondContact O-N 3.45Å; Q423-S425 VanDerWaalsContact C-N 3.28Å; Q423-S425 PolarHBondContact O-N 3.31Å; Q423-W426 PolarHBondContact O-N 2.68Å; Q423-M427 WeakPolarHBondContact O-CG 3.29Å; Q423-M427 PolarHBondContact O-N 2.81Å; Q423-A587 HydrophobicContact CB-CB 4.04Å; Q423-A587 HydrophobicContact CG-CB 3.75Å; Q423-F608 HydrophobicContact CB-CD1 3.74Å; Q423-F608 HydrophobicContact CB-CD2 4.11Å; Q423-F608 HydrophobicContact CB-CE1 3.68Å; Q423-F608 HydrophobicContact CB-CE2 4.06Å; Q423-F608 HydrophobicContact CB-CG 3.98Å; Q423-F608 HydrophobicContact CB-CZ 3.86Å
424	G	98.5	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63	-30	174.3	0	0	0	0	0	114.1	E421 T422 M428	E421-G424 PolarHBondContact O-N 2.95Å; E421-G424 VanDerWaalsContact O-N 3.07Å; T422-G424 PolarHBondContact O-N 3.36Å; T422-G424 VanDerWaalsContact O-N 3.08Å; G424-M428 VanDerWaalsContact O-CB 3.32Å; G424-M428 WeakPolarHBondContact O-CB 3.48Å; G424-M428 PolarHBondContact O-N 2.58Å; G424-M428 VanDerWaalsContact O-N 3.13Å
425	S	98.7	Very high	98.5	Very high	4 Å²	4	7.8 Å²	7.8	3%	0.028	4%	0.039	C	C	.	.	H	α-helix	trans	-78	-32.4	173	-71.9	0	0	0	0	113	Y316 R416 T422 Q423 M428 K429	Y316-S425 VanDerWaalsContact CG-CB 3.43Å; R416-S425 WeakPolarHBondContact CG-OG 3.19Å; R416-S425 PolarHBondContact NH1-OG 3.37Å; T422-S425 WeakPolarHBondContact O-CB 3.23Å; T422-S425 PolarHBondContact O-N 3.37Å; Q423-S425 VanDerWaalsContact C-N 3.28Å; Q423-S425 PolarHBondContact O-N 3.31Å; S425-M428 PolarHBondContact O-N 3.46Å; S425-K429 WeakPolarHBondContact O-CB 3.45Å; S425-K429 PolarHBondContact O-N 3.16Å
426	W	98.6	Very high	98.4	Very high	12 Å²	12	8.6 Å²	8.6	5%	0.045	4%	0.044	C	C	.	.	H	α-helix	trans	-71.4	-41.7	176.7	-64.5	110.5	0	0	0	111.2	N98 Y314 Y316 T422 Q423 K429 G430 F608 E609	N98-W426 HydrophobicContact CB-CH2 4.22Å; N98-W426 VanDerWaalsContact CG-CH2 3.46Å; N98-W426 WeakPolarHBondContact ND2-CZ3 3.25Å; N98-W426 WeakPolarHBondContact OD1-CH2 3.43Å; Y314-W426 PolarHBondContact O-NE1 3.07Å; Y316-W426 AromaticContact CD2-CD2 3.76Å; Y316-W426 HydrophobicContact CD2-CD2 3.76Å; Y316-W426 AromaticContact CD2-CE2 3.69Å; Y316-W426 AromaticContact CD2-CE3 3.89Å; Y316-W426 HydrophobicContact CD2-CE3 3.89Å; Y316-W426 HydrophobicContact CD2-CG 4.38Å; Y316-W426 AromaticContact CD2-CH2 3.92Å; Y316-W426 HydrophobicContact CD2-CH2 3.92Å; Y316-W426 AromaticContact CD2-CZ2 3.78Å; Y316-W426 HydrophobicContact CD2-CZ2 3.78Å; Y316-W426 AromaticContact CD2-CZ3 3.97Å; Y316-W426 HydrophobicContact CD2-CZ3 3.97Å; Y316-W426 HydrophobicContact CE2-CD2 4.44Å; Y316-W426 HydrophobicContact CE2-CE3 4.15Å; Y316-W426 HydrophobicContact CE2-CH2 4.41Å; Y316-W426 HydrophobicContact CE2-CZ3 4.14Å; Y316-W426 HydrophobicContact CG-CZ2 4.41Å; T422-W426 PolarHBondContact O-N 2.82Å; Q423-W426 PolarHBondContact O-N 2.68Å; W426-K429 HydrophobicContact CE3-CD 4.11Å; W426-K429 HydrophobicContact CZ3-CD 4.02Å; W426-K429 PolarHBondContact O-N 3.3Å; W426-G430 PolarHBondContact O-N 2.97Å; W426-G430 VanDerWaalsContact O-N 3.1Å; W426-F608 HydrophobicContact CB-CB 3.49Å; W426-F608 VanDerWaalsContact CB-CB 3.49Å; W426-F608 HydrophobicContact CB-CD2 4.34Å; W426-F608 HydrophobicContact CB-CG 4.29Å; W426-E609 HydrophobicContact CB-CG 4.45Å; W426-E609 HydrophobicContact CE3-CG 4.26Å; W426-E609 WeakPolarHBondContact CZ3-OE1 3.14Å; W426-E609 WeakPolarHBondContact O-CA 3.46Å; W426-E609 VanDerWaalsContact O-CG 3.32Å; W426-E609 WeakPolarHBondContact O-CG 3.3Å
427	M	98.8	Very high	98.3	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.01	5%	0.054	C	C	.	.	H	α-helix	trans	-59.3	-45.7	168.9	-67.3	-170.3	-68.5	0	0	112.1	Q423 K429 G430 L431 L513 H514 M522 L585 A587 F608 M611 G612	Q423-M427 WeakPolarHBondContact O-CG 3.29Å; Q423-M427 PolarHBondContact O-N 2.81Å; M427-K429 VanDerWaalsContact C-N 3.33Å; M427-K429 PolarHBondContact O-N 2.97Å; M427-G430 PolarHBondContact O-N 3.06Å; M427-L431 WeakPolarHBondContact O-CB 3.39Å; M427-L431 PolarHBondContact O-N 3.39Å; M427-L431 VanDerWaalsContact O-N 3.14Å; M427-L513 HydrophobicContact CB-CD1 4Å; M427-L513 HydrophobicContact CE-CB 4.16Å; M427-L513 HydrophobicContact CE-CD2 4.44Å; M427-H514 WeakPolarHBondContact CE-O 3.32Å; M427-M522 HydrophobicContact SD-SD 4.02Å; M427-L585 HydrophobicContact CE-CG 4.35Å; M427-L585 HydrophobicContact SD-CD2 3.83Å; M427-L585 HydrophobicContact SD-CG 4.04Å; M427-A587 HydrophobicContact CE-CB 3.57Å; M427-A587 HydrophobicContact SD-CB 3.73Å; M427-F608 VanDerWaalsContact CA-O 3.3Å; M427-F608 WeakPolarHBondContact CA-O 3.48Å; M427-F608 HydrophobicContact CG-CB 4.2Å; M427-F608 WeakPolarHBondContact CG-O 3.11Å; M427-M611 HydrophobicContact CG-CB 4.16Å; M427-M611 HydrophobicContact CG-CG 4.32Å; M427-M611 HydrophobicContact SD-CB 4.27Å; M427-M611 HydrophobicContact SD-CG 3.81Å; M427-G612 VanDerWaalsContact O-CA 3.26Å; M427-G612 WeakPolarHBondContact O-CA 3.29Å
428	M	98.9	Very high	98.1	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-62.5	-38.2	175.6	-176.7	65.3	71.8	0	0	112.3	I413 A415 G424 S425 L431 M432 L453 P455 L513	I413-M428 HydrophobicContact CB-CE 4.09Å; I413-M428 HydrophobicContact CG2-CE 3.64Å; A415-M428 HydrophobicContact CB-CB 4.17Å; A415-M428 HydrophobicContact CB-CE 3.82Å; G424-M428 VanDerWaalsContact O-CB 3.32Å; G424-M428 WeakPolarHBondContact O-CB 3.48Å; G424-M428 PolarHBondContact O-N 2.58Å; G424-M428 VanDerWaalsContact O-N 3.13Å; S425-M428 PolarHBondContact O-N 3.46Å; M428-L431 PolarHBondContact O-N 2.86Å; M428-L431 HydrophobicContact SD-CD2 4.3Å; M428-M432 HydrophobicContact CG-CE 3.95Å; M428-M432 HydrophobicContact CG-CG 4.33Å; M428-M432 HydrophobicContact CG-SD 4.07Å; M428-M432 WeakPolarHBondContact O-CB 3.42Å; M428-M432 VanDerWaalsContact O-CG 3.27Å; M428-M432 WeakPolarHBondContact O-CG 3.47Å; M428-M432 PolarHBondContact O-N 3.04Å; M428-M432 HydrophobicContact SD-CG 4.25Å; M428-M432 HydrophobicContact SD-SD 4.44Å; M428-L453 HydrophobicContact SD-CB 4.14Å; M428-L453 HydrophobicContact SD-CD1 4.37Å; M428-L453 HydrophobicContact SD-CD2 4.47Å; M428-P455 HydrophobicContact CG-CB 3.77Å; M428-P455 HydrophobicContact CG-CG 4.19Å; M428-P455 HydrophobicContact SD-CG 4.46Å; M428-L513 HydrophobicContact CB-CD1 4.07Å; M428-L513 HydrophobicContact CE-CD1 4.06Å
429	K	98.6	Very high	98	Very high	43 Å²	43	20 Å²	20	19%	0.187	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-54.6	176.8	178.6	-173.8	173.1	-65	0	111.1	Y316 Y324 S425 W426 M427 L431 M432 D433 E609	Y316-K429 HydrophobicContact CE2-CB 4.29Å; Y316-K429 HydrophobicContact CE2-CD 4.37Å; Y324-K429 HydrophobicContact CE2-CG 4.41Å; S425-K429 WeakPolarHBondContact O-CB 3.45Å; S425-K429 PolarHBondContact O-N 3.16Å; W426-K429 HydrophobicContact CE3-CD 4.11Å; W426-K429 HydrophobicContact CZ3-CD 4.02Å; W426-K429 PolarHBondContact O-N 3.3Å; M427-K429 VanDerWaalsContact C-N 3.33Å; M427-K429 PolarHBondContact O-N 2.97Å; K429-L431 PolarHBondContact O-N 3.44Å; K429-M432 PolarHBondContact O-N 2.94Å; K429-M432 VanDerWaalsContact O-N 3.11Å; K429-D433 WeakPolarHBondContact CE-OD2 3.42Å; K429-D433 WeakPolarHBondContact CG-OD2 3.43Å; K429-D433 IonicContact NZ-OD2 2.87Å; K429-D433 PolarHBondContact NZ-OD2 3.15Å; K429-D433 WeakPolarHBondContact O-CB 3.45Å; K429-D433 VanDerWaalsContact O-CG 3.32Å; K429-D433 PolarHBondContact O-N 2.79Å; K429-E609 HydrophobicContact CB-CG 4.44Å; K429-E609 HydrophobicContact CD-CG 4.34Å; K429-E609 IonicContact NZ-OE2 3.31Å; K429-E609 PolarHBondContact NZ-OE2 2.73Å
430	G	98.6	Very high	97.8	Very high	7 Å²	7	24.5 Å²	24.5	7%	0.072	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-33	-178.8	0	0	0	0	0	113.4	W426 M427 F434 E609	W426-G430 PolarHBondContact O-N 2.97Å; W426-G430 VanDerWaalsContact O-N 3.1Å; M427-G430 PolarHBondContact O-N 3.06Å; G430-F434 WeakPolarHBondContact O-CB 3.19Å; G430-F434 PolarHBondContact O-N 2.83Å; G430-E609 WeakPolarHBondContact CA-O 3.22Å
431	L	98.8	Very high	97.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-68.2	-43.5	172.4	-178.2	134.6	0	0	0	112.5	I413 M427 M428 K429 L435 L453 G612 F615	I413-L431 HydrophobicContact CD1-CD1 3.35Å; I413-L431 HydrophobicContact CD1-CD2 3.9Å; I413-L431 HydrophobicContact CD1-CG 4.29Å; M427-L431 WeakPolarHBondContact O-CB 3.39Å; M427-L431 PolarHBondContact O-N 3.39Å; M427-L431 VanDerWaalsContact O-N 3.14Å; M428-L431 PolarHBondContact O-N 2.86Å; M428-L431 HydrophobicContact SD-CD2 4.3Å; K429-L431 PolarHBondContact O-N 3.44Å; L431-L435 HydrophobicContact CD2-CD1 3.67Å; L431-L435 HydrophobicContact CG-CD1 4.08Å; L431-L435 WeakPolarHBondContact O-CB 3.19Å; L431-L435 VanDerWaalsContact O-CG 3.29Å; L431-L435 WeakPolarHBondContact O-CG 3.35Å; L431-L435 PolarHBondContact O-N 2.73Å; L431-L435 VanDerWaalsContact O-N 3.08Å; L431-L453 HydrophobicContact CD2-CD1 3.78Å; L431-L453 HydrophobicContact CD2-CD2 3.72Å; L431-L453 HydrophobicContact CD2-CG 4.43Å; L431-G612 WeakPolarHBondContact CB-O 3.4Å; L431-F615 HydrophobicContact CD1-CB 4.27Å; L431-F615 HydrophobicContact CD1-CD1 3.77Å; L431-F615 HydrophobicContact CD1-CE1 4.5Å; L431-F615 HydrophobicContact CD1-CG 4.26Å
432	M	98.7	Very high	97.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-47.1	175.2	-71.9	-178.7	-54.4	0	0	111.2	Y324 L355 M428 K429 F434 L435 I436 L453 P455	Y324-M432 HydrophobicContact CD1-CE 4.05Å; Y324-M432 HydrophobicContact CE1-CB 4.38Å; Y324-M432 HydrophobicContact CE1-CE 3.4Å; Y324-M432 VanDerWaalsContact CE1-CE 3.4Å; Y324-M432 HydrophobicContact CE1-SD 4.05Å; Y324-M432 WeakPolarHBondContact OH-CB 3.42Å; L355-M432 HydrophobicContact CD1-CG 4.28Å; L355-M432 HydrophobicContact CD1-SD 3.6Å; M428-M432 HydrophobicContact CG-CE 3.95Å; M428-M432 HydrophobicContact CG-CG 4.33Å; M428-M432 HydrophobicContact CG-SD 4.07Å; M428-M432 WeakPolarHBondContact O-CB 3.42Å; M428-M432 VanDerWaalsContact O-CG 3.27Å; M428-M432 WeakPolarHBondContact O-CG 3.47Å; M428-M432 PolarHBondContact O-N 3.04Å; M428-M432 HydrophobicContact SD-CG 4.25Å; M428-M432 HydrophobicContact SD-SD 4.44Å; K429-M432 PolarHBondContact O-N 2.94Å; K429-M432 VanDerWaalsContact O-N 3.11Å; M432-F434 VanDerWaalsContact C-N 3.33Å; M432-F434 PolarHBondContact O-N 2.69Å; M432-L435 PolarHBondContact O-N 2.85Å; M432-I436 VanDerWaalsContact O-CG1 3.26Å; M432-I436 WeakPolarHBondContact O-CG1 3.32Å; M432-I436 WeakPolarHBondContact O-CG2 3.3Å; M432-I436 PolarHBondContact O-N 3.1Å; M432-L453 HydrophobicContact CG-CD1 3.74Å; M432-P455 HydrophobicContact SD-CB 4.3Å; M432-P455 HydrophobicContact SD-CG 3.71Å
433	D	98.3	Very high	97.4	Very high	51 Å²	51	33.6 Å²	33.6	27%	0.273	19%	0.185	S	C	.	.	H	α-helix	trans	-60	-40.5	179.9	-70.8	-23.4	0	0	0	112.2	Y324 K429 S437	Y324-D433 WeakPolarHBondContact CE2-OD1 3.11Å; Y324-D433 VanDerWaalsContact CZ-OD1 3.3Å; Y324-D433 PolarHBondContact OH-OD1 3.15Å; K429-D433 WeakPolarHBondContact CE-OD2 3.42Å; K429-D433 WeakPolarHBondContact CG-OD2 3.43Å; K429-D433 IonicContact NZ-OD2 2.87Å; K429-D433 PolarHBondContact NZ-OD2 3.15Å; K429-D433 WeakPolarHBondContact O-CB 3.45Å; K429-D433 VanDerWaalsContact O-CG 3.32Å; K429-D433 PolarHBondContact O-N 2.79Å; D433-S437 WeakPolarHBondContact O-CB 3.39Å; D433-S437 PolarHBondContact O-N 3.32Å
434	F	98.5	Very high	97.2	Very high	29 Å²	29	36.7 Å²	36.7	13%	0.127	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-51.3	173.4	-174.9	-99.4	0	0	0	111.5	G430 M432 I436 S437 D441 A442 L445 C616 D617	G430-F434 WeakPolarHBondContact O-CB 3.19Å; G430-F434 PolarHBondContact O-N 2.83Å; M432-F434 VanDerWaalsContact C-N 3.33Å; M432-F434 PolarHBondContact O-N 2.69Å; F434-I436 VanDerWaalsContact C-N 3.31Å; F434-I436 PolarHBondContact O-N 3.05Å; F434-S437 VanDerWaalsContact O-CB 3.27Å; F434-S437 WeakPolarHBondContact O-CB 3.3Å; F434-S437 PolarHBondContact O-N 3.04Å; F434-S437 PolarHBondContact O-OG 3.49Å; F434-D441 HydrophobicContact CZ-CB 4.27Å; F434-A442 HydrophobicContact CD1-CB 4.18Å; F434-A442 HydrophobicContact CE1-CB 3.93Å; F434-A442 HydrophobicContact CZ-CB 4.19Å; F434-A442 WeakPolarHBondContact O-CB 3.39Å; F434-L445 HydrophobicContact CD1-CD1 4.49Å; F434-L445 HydrophobicContact CE1-CD1 3.95Å; F434-C616 HydrophobicContact CD1-CB 3.41Å; F434-C616 VanDerWaalsContact CD1-CB 3.41Å; F434-C616 HydrophobicContact CE1-CB 3.61Å; F434-C616 HydrophobicContact CG-CB 4.38Å; F434-D617 WeakPolarHBondContact CZ-OD1 3.45Å
435	L	98.3	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-29.4	-175	-71.8	173.9	0	0	0	114.3	I357 L431 M432 L445 R446 F451 L453	I357-L435 HydrophobicContact CD1-CB 4.17Å; I357-L435 HydrophobicContact CG2-CB 4.28Å; L431-L435 HydrophobicContact CD2-CD1 3.67Å; L431-L435 HydrophobicContact CG-CD1 4.08Å; L431-L435 WeakPolarHBondContact O-CB 3.19Å; L431-L435 VanDerWaalsContact O-CG 3.29Å; L431-L435 WeakPolarHBondContact O-CG 3.35Å; L431-L435 PolarHBondContact O-N 2.73Å; L431-L435 VanDerWaalsContact O-N 3.08Å; M432-L435 PolarHBondContact O-N 2.85Å; L435-L445 HydrophobicContact CD2-CB 4.27Å; L435-L445 HydrophobicContact CD2-CD1 3.92Å; L435-R446 WeakPolarHBondContact O-CD 3.45Å; L435-R446 PolarHBondContact O-NH1 3.33Å; L435-F451 HydrophobicContact CD1-CB 4.32Å; L435-F451 HydrophobicContact CD1-CD1 3.59Å; L435-F451 HydrophobicContact CD1-CD2 4.14Å; L435-F451 HydrophobicContact CD1-CE1 3.86Å; L435-F451 HydrophobicContact CD1-CE2 4.38Å; L435-F451 HydrophobicContact CD1-CG 3.75Å; L435-F451 HydrophobicContact CD1-CZ 4.26Å; L435-F451 HydrophobicContact CD2-CD1 4.38Å; L435-F451 HydrophobicContact CD2-CD2 4.02Å; L435-F451 HydrophobicContact CD2-CE1 3.96Å; L435-F451 HydrophobicContact CD2-CE2 3.56Å; L435-F451 HydrophobicContact CD2-CG 4.42Å; L435-F451 HydrophobicContact CD2-CZ 3.54Å; L435-L453 HydrophobicContact CD1-CD1 4.29Å
436	I	97.6	Very high	96.9	Very high	18 Å²	18	37.1 Å²	37.1	9%	0.092	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.7	175.4	70.3	-164.6	0	0	0	113.7	L328 I334 C338 I357 M432 F434	L328-I436 HydrophobicContact CD1-CD1 3.69Å; L328-I436 HydrophobicContact CD2-CD1 3.54Å; L328-I436 HydrophobicContact CG-CD1 4.25Å; I334-I436 HydrophobicContact CD1-CB 4.48Å; I334-I436 HydrophobicContact CD1-CD1 4.33Å; I334-I436 HydrophobicContact CD1-CG1 4.39Å; I334-I436 HydrophobicContact CG1-CB 4.48Å; I334-I436 HydrophobicContact CG2-CB 4.17Å; I334-I436 HydrophobicContact CG2-CG2 4.13Å; C338-I436 HydrophobicContact CB-CG2 4.31Å; I357-I436 HydrophobicContact CD1-CG2 3.89Å; M432-I436 VanDerWaalsContact O-CG1 3.26Å; M432-I436 WeakPolarHBondContact O-CG1 3.32Å; M432-I436 WeakPolarHBondContact O-CG2 3.3Å; M432-I436 PolarHBondContact O-N 3.1Å; F434-I436 VanDerWaalsContact C-N 3.31Å; F434-I436 PolarHBondContact O-N 3.05Å
437	S	96.7	Very high	96.6	Very high	33 Å²	33	39 Å²	39	23%	0.231	22%	0.22	C	C	.	.	S	Bend	trans	-71.9	166	-178.4	76.3	0	0	0	0	112.9	D433 F434 D439 A442 R446	D433-S437 WeakPolarHBondContact O-CB 3.39Å; D433-S437 PolarHBondContact O-N 3.32Å; F434-S437 VanDerWaalsContact O-CB 3.27Å; F434-S437 WeakPolarHBondContact O-CB 3.3Å; F434-S437 PolarHBondContact O-N 3.04Å; F434-S437 PolarHBondContact O-OG 3.49Å; S437-D439 PolarHBondContact O-N 3.3Å; S437-D439 VanDerWaalsContact OG-CB 3.25Å; S437-D439 WeakPolarHBondContact OG-CB 3.37Å; S437-D439 PolarHBondContact OG-N 3.34Å; S437-A442 WeakPolarHBondContact OG-CB 3.42Å; S437-R446 PolarHBondContact O-NH1 3.36Å
438	T	94.7	Very high	96.4	Very high	146 Å²	146	42 Å²	42	90%	0.896	24%	0.236	S	C	*	.			trans	-80.9	7.3	170.4	52.7	0	0	0	0	113.3
439	D	95.4	Very high	96.3	Very high	66 Å²	66	42 Å²	42	35%	0.353	24%	0.236	S	C	.	.			trans	-63.2	134.6	-179.5	-166.3	-64.9	0	0	0	111	S437 D441 A442 K443	S437-D439 PolarHBondContact O-N 3.3Å; S437-D439 VanDerWaalsContact OG-CB 3.25Å; S437-D439 WeakPolarHBondContact OG-CB 3.37Å; S437-D439 PolarHBondContact OG-N 3.34Å; D439-D441 VanDerWaalsContact C-N 3.27Å; D439-D441 PolarHBondContact O-N 2.96Å; D439-D441 WeakPolarHBondContact OD1-CB 3.44Å; D439-D441 PolarHBondContact OD1-N 3.07Å; D439-A442 HydrophobicContact CB-CB 3.97Å; D439-A442 WeakPolarHBondContact O-CB 3.35Å; D439-A442 PolarHBondContact O-N 2.89Å; D439-K443 PolarHBondContact O-N 3.4Å
440	P	94.5	Very high	96.2	Very high	96 Å²	96	40.3 Å²	40.3	62%	0.623	23%	0.229	S	C	*	.	H	α-helix	trans	-53.7	-40.7	175.9	-27.2	35.7	0	0	0	113.7	K443 V444	P440-K443 WeakPolarHBondContact O-CB 3.45Å; P440-K443 PolarHBondContact O-N 2.96Å; P440-V444 WeakPolarHBondContact O-CG2 3.43Å; P440-V444 PolarHBondContact O-N 3.07Å
441	D	94.6	Very high	96.2	Very high	82 Å²	82	40 Å²	40	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-72.1	-33.8	-178.4	-81.5	-7.8	0	0	0	110.8	F434 D439 V444 L445 L620	F434-D441 HydrophobicContact CZ-CB 4.27Å; D439-D441 VanDerWaalsContact C-N 3.27Å; D439-D441 PolarHBondContact O-N 2.96Å; D439-D441 WeakPolarHBondContact OD1-CB 3.44Å; D439-D441 PolarHBondContact OD1-N 3.07Å; D441-V444 PolarHBondContact O-N 3.35Å; D441-L445 PolarHBondContact O-N 3.42Å; D441-L620 HydrophobicContact CB-CD1 3.55Å
442	A	96.1	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-38.8	168.4	0	0	0	0	0	112.4	F434 S437 D439 L445 R446	F434-A442 HydrophobicContact CD1-CB 4.18Å; F434-A442 HydrophobicContact CE1-CB 3.93Å; F434-A442 HydrophobicContact CZ-CB 4.19Å; F434-A442 WeakPolarHBondContact O-CB 3.39Å; S437-A442 WeakPolarHBondContact OG-CB 3.42Å; D439-A442 HydrophobicContact CB-CB 3.97Å; D439-A442 WeakPolarHBondContact O-CB 3.35Å; D439-A442 PolarHBondContact O-N 2.89Å; A442-L445 PolarHBondContact O-N 2.88Å; A442-R446 WeakPolarHBondContact O-CG 3.25Å; A442-R446 PolarHBondContact O-N 3.39Å
443	K	94.4	Very high	96.2	Very high	111 Å²	111	41.4 Å²	41.4	48%	0.483	23%	0.232	S	C	.	.	H	α-helix	trans	-63.5	-44.6	172.9	-170.6	178.8	-179.9	-177.4	0	111.3	D439 P440 L445 R446 S447	D439-K443 PolarHBondContact O-N 3.4Å; P440-K443 WeakPolarHBondContact O-CB 3.45Å; P440-K443 PolarHBondContact O-N 2.96Å; K443-L445 VanDerWaalsContact C-N 3.32Å; K443-L445 PolarHBondContact O-N 2.99Å; K443-R446 PolarHBondContact O-N 3.02Å; K443-R446 VanDerWaalsContact O-N 3.13Å; K443-S447 PolarHBondContact O-N 3.44Å; K443-S447 PolarHBondContact O-OG 2.88Å
444	V	93.1	Very high	96.3	Very high	65 Å²	65	39 Å²	39	39%	0.394	22%	0.219	S	C	.	.	H	α-helix	trans	-58.2	-43.2	176.6	173	0	0	0	0	111.4	P440 D441 S447 N448 L620	P440-V444 WeakPolarHBondContact O-CG2 3.43Å; P440-V444 PolarHBondContact O-N 3.07Å; D441-V444 PolarHBondContact O-N 3.35Å; V444-S447 PolarHBondContact O-N 3.36Å; V444-N448 PolarHBondContact O-N 3.27Å; V444-N448 VanDerWaalsContact O-N 3.13Å; V444-N448 PolarHBondContact O-ND2 2.68Å; V444-L620 HydrophobicContact CB-CD2 4.1Å; V444-L620 HydrophobicContact CG1-CD2 3.63Å
445	L	95.7	Very high	96.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-49.1	172.8	-78.7	-179.7	0	0	0	112.3	F434 L435 D441 A442 K443 S447 N448 F449 F451 C616 L619 L620	F434-L445 HydrophobicContact CD1-CD1 4.49Å; F434-L445 HydrophobicContact CE1-CD1 3.95Å; L435-L445 HydrophobicContact CD2-CB 4.27Å; L435-L445 HydrophobicContact CD2-CD1 3.92Å; D441-L445 PolarHBondContact O-N 3.42Å; A442-L445 PolarHBondContact O-N 2.88Å; K443-L445 VanDerWaalsContact C-N 3.32Å; K443-L445 PolarHBondContact O-N 2.99Å; L445-S447 VanDerWaalsContact C-N 3.29Å; L445-S447 PolarHBondContact O-N 3.02Å; L445-N448 PolarHBondContact O-N 3.23Å; L445-N448 VanDerWaalsContact O-N 3.14Å; L445-F449 HydrophobicContact CD2-CD2 3.78Å; L445-F449 HydrophobicContact CD2-CE2 3.79Å; L445-F449 WeakPolarHBondContact O-CB 3.18Å; L445-F449 PolarHBondContact O-N 2.94Å; L445-F451 HydrophobicContact CB-CE2 4.05Å; L445-F451 HydrophobicContact CB-CZ 4.08Å; L445-F451 HydrophobicContact CD1-CZ 4.26Å; L445-F451 HydrophobicContact CD2-CZ 4.34Å; L445-F451 HydrophobicContact CG-CZ 4.48Å; L445-C616 HydrophobicContact CD1-CB 3.51Å; L445-L619 HydrophobicContact CD2-CB 3.87Å; L445-L620 HydrophobicContact CD1-CD1 4.46Å; L445-L620 HydrophobicContact CD1-CG 4.31Å; L445-L620 HydrophobicContact CD2-CD2 3.75Å; L445-L620 HydrophobicContact CD2-CG 3.69Å; L445-L620 HydrophobicContact CG-CD1 4.16Å; L445-L620 HydrophobicContact CG-CD2 3.78Å; L445-L620 HydrophobicContact CG-CG 3.73Å
446	R	95.8	Very high	96.3	Very high	14 Å²	14	37.6 Å²	37.6	5%	0.053	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-33.4	179.6	-77	-160.4	-50.6	-90.9	-1.7	113.4	I357 T358 E359 L435 S437 A442 K443 F449	I357-R446 HydrophobicContact CG2-CG 4.16Å; T358-R446 PolarHBondContact OG1-O 2.85Å; T358-R446 VanDerWaalsContact OG1-O 3.04Å; E359-R446 HydrophobicContact CB-CB 4.08Å; E359-R446 PolarHBondContact N-O 3.5Å; E359-R446 IonicContact OE2-CZ 3.79Å; E359-R446 VanDerWaalsContact OE2-CZ 3.31Å; E359-R446 IonicContact OE2-NE 2.79Å; E359-R446 PolarHBondContact OE2-NE 2.86Å; E359-R446 IonicContact OE2-NH2 3.99Å; E359-R446 PolarHBondContact OE2-NH2 3.26Å; L435-R446 WeakPolarHBondContact O-CD 3.45Å; L435-R446 PolarHBondContact O-NH1 3.33Å; S437-R446 PolarHBondContact O-NH1 3.36Å; A442-R446 WeakPolarHBondContact O-CG 3.25Å; A442-R446 PolarHBondContact O-N 3.39Å; K443-R446 PolarHBondContact O-N 3.02Å; K443-R446 VanDerWaalsContact O-N 3.13Å; R446-F449 VanDerWaalsContact O-O 3.12Å
447	S	93.5	Very high	96.3	Very high	52 Å²	52	36.8 Å²	36.8	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-72.9	-29.6	174.6	-62.7	0	0	0	0	113.1	K408 K443 V444 L445	K408-S447 WeakPolarHBondContact CE-O 3.33Å; K408-S447 WeakPolarHBondContact CG-O 3.33Å; K443-S447 PolarHBondContact O-N 3.44Å; K443-S447 PolarHBondContact O-OG 2.88Å; V444-S447 PolarHBondContact O-N 3.36Å; L445-S447 VanDerWaalsContact C-N 3.29Å; L445-S447 PolarHBondContact O-N 3.02Å
448	N	93.3	Very high	96.4	Very high	64 Å²	64	35.4 Å²	35.4	34%	0.342	20%	0.199	S	C	.	.	H	α-helix	trans	-90.5	-25.2	179.4	-80.8	-92.4	0	0	0	113.9	K408 R409 V444 L445 I623	K408-N448 WeakPolarHBondContact CA-O 3.49Å; R409-N448 PolarHBondContact N-O 2.96Å; V444-N448 PolarHBondContact O-N 3.27Å; V444-N448 VanDerWaalsContact O-N 3.13Å; V444-N448 PolarHBondContact O-ND2 2.68Å; L445-N448 PolarHBondContact O-N 3.23Å; L445-N448 VanDerWaalsContact O-N 3.14Å; N448-I623 HydrophobicContact CB-CD1 3.79Å
449	F	96.6	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.1	-169.1	-69.4	-69.7	0	0	0	114.3	T358 R409 V411 L445 R446 F451 V508 L619 I623	T358-F449 WeakPolarHBondContact CB-O 3.47Å; T358-F449 PolarHBondContact OG1-O 3.31Å; R409-F449 HydrophobicContact CB-CD1 3.84Å; R409-F449 HydrophobicContact CB-CE1 3.89Å; R409-F449 CarbonylContact O-C 3.54Å; R409-F449 VanDerWaalsContact O-CA 3.24Å; R409-F449 WeakPolarHBondContact O-CA 3.44Å; V411-F449 HydrophobicContact CG2-CD1 3.72Å; V411-F449 HydrophobicContact CG2-CE1 3.68Å; V411-F449 HydrophobicContact CG2-CG 4.16Å; V411-F449 HydrophobicContact CG2-CZ 4.07Å; L445-F449 HydrophobicContact CD2-CD2 3.78Å; L445-F449 HydrophobicContact CD2-CE2 3.79Å; L445-F449 WeakPolarHBondContact O-CB 3.18Å; L445-F449 PolarHBondContact O-N 2.94Å; R446-F449 VanDerWaalsContact O-O 3.12Å; F449-F451 HydrophobicContact CB-CD2 3.98Å; F449-F451 HydrophobicContact CB-CE2 3.52Å; F449-F451 HydrophobicContact CB-CZ 3.97Å; F449-F451 HydrophobicContact CD2-CE2 4.3Å; F449-F451 HydrophobicContact CD2-CZ 4.03Å; F449-F451 HydrophobicContact CG-CE2 4.3Å; F449-F451 HydrophobicContact CG-CZ 4.27Å; F449-V508 HydrophobicContact CE1-CB 4.13Å; F449-V508 HydrophobicContact CE1-CG1 4.49Å; F449-V508 HydrophobicContact CE1-CG2 4.14Å; F449-L619 HydrophobicContact CE2-CB 4.39Å; F449-L619 HydrophobicContact CZ-CD2 4.39Å; F449-I623 HydrophobicContact CE1-CG2 4.46Å; F449-I623 HydrophobicContact CE2-CD1 3.87Å; F449-I623 HydrophobicContact CE2-CG2 3.88Å; F449-I623 HydrophobicContact CZ-CD1 4.47Å; F449-I623 HydrophobicContact CZ-CG2 3.45Å; F449-I623 VanDerWaalsContact CZ-CG2 3.45Å
450	V	97.5	Very high	96.7	Very high	8 Å²	8	25.5 Å²	25.5	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.7	156.2	-175.3	0	0	0	0	108.5	T356 K408 R409 C410 V411 K452 Y505	T356-V450 HydrophobicContact CG2-CG1 3.71Å; K408-V450 HydrophobicContact CB-CG2 4.11Å; R409-V450 PolarHBondContact O-N 3.4Å; C410-V450 VanDerWaalsContact CA-O 3.3Å; C410-V450 WeakPolarHBondContact CA-O 3.44Å; C410-V450 PolarHBondContact SG-O 3.26Å; V411-V450 PolarHBondContact N-O 3.21Å; V411-V450 VanDerWaalsContact N-O 3.12Å; V450-K452 HydrophobicContact CG1-CD 4.44Å; V450-Y505 HydrophobicContact CG2-CE1 4.14Å
451	F	98.7	Very high	96.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133	172.5	-67.8	-93.7	0	0	0	110.2	T356 I357 V411 L435 L445 F449 L453 L619	T356-F451 VanDerWaalsContact CA-O 3.28Å; T356-F451 WeakPolarHBondContact CA-O 3.41Å; I357-F451 HydrophobicContact CB-CB 4.18Å; I357-F451 PolarHBondContact N-O 3.27Å; I357-F451 WeakPolarHBondContact O-CB 3.27Å; I357-F451 PolarHBondContact O-N 2.76Å; V411-F451 HydrophobicContact CB-CD1 3.75Å; V411-F451 HydrophobicContact CB-CE1 3.82Å; V411-F451 HydrophobicContact CG1-CD1 3.86Å; V411-F451 HydrophobicContact CG1-CE1 3.89Å; V411-F451 HydrophobicContact CG2-CE1 4.18Å; V411-F451 CarbonylContact O-C 3.49Å; V411-F451 WeakPolarHBondContact O-CA 3.24Å; L435-F451 HydrophobicContact CD1-CB 4.32Å; L435-F451 HydrophobicContact CD1-CD1 3.59Å; L435-F451 HydrophobicContact CD1-CD2 4.14Å; L435-F451 HydrophobicContact CD1-CE1 3.86Å; L435-F451 HydrophobicContact CD1-CE2 4.38Å; L435-F451 HydrophobicContact CD1-CG 3.75Å; L435-F451 HydrophobicContact CD1-CZ 4.26Å; L435-F451 HydrophobicContact CD2-CD1 4.38Å; L435-F451 HydrophobicContact CD2-CD2 4.02Å; L435-F451 HydrophobicContact CD2-CE1 3.96Å; L435-F451 HydrophobicContact CD2-CE2 3.56Å; L435-F451 HydrophobicContact CD2-CG 4.42Å; L435-F451 HydrophobicContact CD2-CZ 3.54Å; L445-F451 HydrophobicContact CB-CE2 4.05Å; L445-F451 HydrophobicContact CB-CZ 4.08Å; L445-F451 HydrophobicContact CD1-CZ 4.26Å; L445-F451 HydrophobicContact CD2-CZ 4.34Å; L445-F451 HydrophobicContact CG-CZ 4.48Å; F449-F451 HydrophobicContact CB-CD2 3.98Å; F449-F451 HydrophobicContact CB-CE2 3.52Å; F449-F451 HydrophobicContact CB-CZ 3.97Å; F449-F451 HydrophobicContact CD2-CE2 4.3Å; F449-F451 HydrophobicContact CD2-CZ 4.03Å; F449-F451 HydrophobicContact CG-CE2 4.3Å; F449-F451 HydrophobicContact CG-CZ 4.27Å; F451-L453 HydrophobicContact CB-CD2 4.27Å; F451-L453 HydrophobicContact CB-CG 4.38Å; F451-L619 HydrophobicContact CE1-CD1 3.79Å; F451-L619 HydrophobicContact CZ-CD1 4.22Å
452	K	98.8	Very high	97.1	Very high	34 Å²	34	17 Å²	17	15%	0.148	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	101.3	172.7	-63.8	-67.7	-179.6	-179.3	0	109	L354 L355 T356 V411 V412 I413 V450 M497 V501	L354-K452 HydrophobicContact CD1-CB 4.22Å; L354-K452 HydrophobicContact CD1-CD 4.38Å; L355-K452 WeakPolarHBondContact O-CA 3.38Å; T356-K452 HydrophobicContact CG2-CD 4.23Å; T356-K452 PolarHBondContact OG1-NZ 2.83Å; V411-K452 PolarHBondContact O-N 3.35Å; V412-K452 WeakPolarHBondContact CA-O 3.43Å; V412-K452 HydrophobicContact CG2-CB 4.28Å; I413-K452 PolarHBondContact N-O 3.01Å; V450-K452 HydrophobicContact CG1-CD 4.44Å; K452-M497 HydrophobicContact CB-SD 4.22Å; K452-M497 HydrophobicContact CG-SD 4.47Å; K452-V501 HydrophobicContact CG-CG2 4.23Å
453	L	98.9	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.6	-173.1	-49	-179.7	0	0	0	110.7	L354 L355 I357 I413 M428 L431 M432 L435 F451 P455	L354-L453 WeakPolarHBondContact CA-O 3.46Å; L355-L453 HydrophobicContact CB-CB 4.26Å; L355-L453 PolarHBondContact N-O 2.98Å; L355-L453 PolarHBondContact O-N 3.03Å; I357-L453 HydrophobicContact CD1-CD1 3.69Å; I357-L453 HydrophobicContact CG1-CD1 4.38Å; I413-L453 HydrophobicContact CB-CD2 3.83Å; I413-L453 HydrophobicContact CD1-CD2 4.14Å; I413-L453 HydrophobicContact CG1-CD2 4.06Å; I413-L453 WeakPolarHBondContact O-CA 3.3Å; M428-L453 HydrophobicContact SD-CB 4.14Å; M428-L453 HydrophobicContact SD-CD1 4.37Å; M428-L453 HydrophobicContact SD-CD2 4.47Å; L431-L453 HydrophobicContact CD2-CD1 3.78Å; L431-L453 HydrophobicContact CD2-CD2 3.72Å; L431-L453 HydrophobicContact CD2-CG 4.43Å; M432-L453 HydrophobicContact CG-CD1 3.74Å; L435-L453 HydrophobicContact CD1-CD1 4.29Å; F451-L453 HydrophobicContact CB-CD2 4.27Å; F451-L453 HydrophobicContact CB-CG 4.38Å; L453-P455 WeakPolarHBondContact O-CD 3.26Å
454	V	98.9	Very high	97.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	89	171.9	-174.2	0	0	0	0	108.8	L343 V352 L354 I413 T414 A415 M456 L457 M497	L343-V454 HydrophobicContact CD2-CG1 4.25Å; L343-V454 HydrophobicContact CD2-CG2 3.99Å; V352-V454 HydrophobicContact CG1-CG1 3.61Å; L354-V454 HydrophobicContact CD1-CG2 4.07Å; I413-V454 PolarHBondContact O-N 3.4Å; T414-V454 HydrophobicContact CG2-CB 4.18Å; T414-V454 HydrophobicContact CG2-CG2 4.41Å; A415-V454 PolarHBondContact N-O 2.94Å; V454-M456 PolarHBondContact O-N 2.82Å; V454-M456 VanDerWaalsContact O-N 3.14Å; V454-L457 HydrophobicContact CG1-CD2 3.71Å; V454-L457 HydrophobicContact CG1-CG 4.09Å; V454-M497 HydrophobicContact CG2-CE 4.11Å
455	P	98.8	Very high	97.4	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	5%	0.048	C	C	.	.	S	Bend	trans	-67.9	-15	-167.7	-25	36.1	0	0	0	116.4	L321 L355 M428 M432 L453	L321-P455 HydrophobicContact CD1-CB 3.72Å; L321-P455 HydrophobicContact CD1-CG 4.39Å; L321-P455 HydrophobicContact CD2-CB 3.93Å; L321-P455 HydrophobicContact CG-CB 4.49Å; L355-P455 HydrophobicContact CD1-CG 4.47Å; M428-P455 HydrophobicContact CG-CB 3.77Å; M428-P455 HydrophobicContact CG-CG 4.19Å; M428-P455 HydrophobicContact SD-CG 4.46Å; M432-P455 HydrophobicContact SD-CB 4.3Å; M432-P455 HydrophobicContact SD-CG 3.71Å; L453-P455 WeakPolarHBondContact O-CD 3.26Å
456	M	98.7	Very high	97.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.			trans	-154.8	105.2	175.9	-167.5	172.8	-65.1	0	0	111.9	Y318 L321 A415 R416 V454 P459 V462	Y318-M456 HydrophobicContact CD2-SD 3.73Å; Y318-M456 HydrophobicContact CG-SD 4.2Å; L321-M456 HydrophobicContact CB-CE 4.45Å; L321-M456 HydrophobicContact CD2-CB 3.71Å; L321-M456 HydrophobicContact CD2-CE 4.24Å; A415-M456 CarbonylContact O-C 3.53Å; A415-M456 WeakPolarHBondContact O-CA 3.45Å; R416-M456 HydrophobicContact CB-CG 3.95Å; V454-M456 PolarHBondContact O-N 2.82Å; V454-M456 VanDerWaalsContact O-N 3.14Å; M456-P459 HydrophobicContact CG-CG 4.19Å; M456-P459 WeakPolarHBondContact O-CD 3.36Å; M456-P459 HydrophobicContact SD-CB 4.41Å; M456-P459 HydrophobicContact SD-CG 4.41Å; M456-V462 HydrophobicContact CE-CG1 4.08Å; M456-V462 HydrophobicContact CE-CG2 4.29Å; M456-V462 HydrophobicContact CG-CG2 4.2Å; M456-V462 HydrophobicContact SD-CB 3.82Å; M456-V462 HydrophobicContact SD-CG1 3.92Å; M456-V462 HydrophobicContact SD-CG2 3.68Å
457	L	98.8	Very high	97.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-78	-17.1	179.1	-82.8	177	0	0	0	114.7	T414 A415 V417 V454 Y480 T490 I491 T494	T414-L457 HydrophobicContact CG2-CD1 4.11Å; A415-L457 PolarHBondContact O-N 3.15Å; V417-L457 HydrophobicContact CB-CB 3.94Å; V417-L457 HydrophobicContact CB-CD1 3.82Å; V417-L457 HydrophobicContact CG2-CB 4.41Å; V417-L457 HydrophobicContact CG2-CD1 4.28Å; V454-L457 HydrophobicContact CG1-CD2 3.71Å; V454-L457 HydrophobicContact CG1-CG 4.09Å; L457-Y480 WeakPolarHBondContact CD1-OH 3.45Å; L457-T490 VanDerWaalsContact O-CB 3.25Å; L457-T490 WeakPolarHBondContact O-CB 3.4Å; L457-T490 WeakPolarHBondContact O-CG2 3.3Å; L457-T490 PolarHBondContact O-OG1 3.1Å; L457-I491 HydrophobicContact CD1-CD1 4.33Å; L457-T494 HydrophobicContact CD2-CG2 4.26Å; L457-T494 WeakPolarHBondContact CD2-OG1 3.25Å
458	N	98.6	Very high	97.6	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.021	3%	0.031	C	C	.	.			trans	-133.2	59.7	-178.9	-164	-5.6	0	0	0	114.1	R416 V417 D460 G461 V462 C469 S470 L476	R416-N458 WeakPolarHBondContact O-CB 3.29Å; R416-N458 PolarHBondContact O-N 3.49Å; R416-N458 VanDerWaalsContact O-N 3.14Å; V417-N458 WeakPolarHBondContact O-CB 3.47Å; V417-N458 PolarHBondContact O-ND2 2.88Å; V417-N458 VanDerWaalsContact O-ND2 3.13Å; N458-D460 VanDerWaalsContact C-N 3.3Å; N458-D460 PolarHBondContact O-N 3.45Å; N458-G461 PolarHBondContact O-N 3.47Å; N458-G461 PolarHBondContact OD1-N 3.08Å; N458-V462 WeakPolarHBondContact O-CG2 3.27Å; N458-V462 PolarHBondContact O-N 3.18Å; N458-V462 VanDerWaalsContact O-N 3.15Å; N458-C469 PolarHBondContact ND2-O 3.29Å; N458-S470 PolarHBondContact ND2-N 3.22Å; N458-S470 WeakPolarHBondContact OD1-CB 3.35Å; N458-L476 HydrophobicContact CB-CD1 3.96Å
459	P	98.4	Very high	97.7	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-49.9	-45.3	177.5	-30.1	36.7	0	0	0	114.1	Y318 T346 N350 V352 M456 G461 V462 I463	Y318-P459 HydrophobicContact CD1-CB 4.47Å; Y318-P459 HydrophobicContact CD2-CB 3.59Å; Y318-P459 HydrophobicContact CD2-CG 3.9Å; Y318-P459 HydrophobicContact CE2-CB 3.66Å; Y318-P459 HydrophobicContact CE2-CG 3.72Å; Y318-P459 HydrophobicContact CG-CB 4Å; T346-P459 HydrophobicContact CG2-CB 4.11Å; T346-P459 HydrophobicContact CG2-CG 3.95Å; N350-P459 HydrophobicContact CB-CB 4.1Å; V352-P459 HydrophobicContact CG2-CG 4.26Å; M456-P459 HydrophobicContact CG-CG 4.19Å; M456-P459 WeakPolarHBondContact O-CD 3.36Å; M456-P459 HydrophobicContact SD-CB 4.41Å; M456-P459 HydrophobicContact SD-CG 4.41Å; P459-G461 VanDerWaalsContact C-N 3.34Å; P459-G461 PolarHBondContact O-N 2.83Å; P459-V462 WeakPolarHBondContact O-CB 3.45Å; P459-V462 PolarHBondContact O-N 3.07Å; P459-V462 VanDerWaalsContact O-N 3.1Å; P459-I463 VanDerWaalsContact O-CG1 3.3Å; P459-I463 WeakPolarHBondContact O-CG1 3.4Å; P459-I463 PolarHBondContact O-N 3.02Å
460	D	97.7	Very high	97.6	Very high	4 Å²	4	3.4 Å²	3.4	2%	0.021	2%	0.017	C	C	.	.	H	α-helix	trans	-59	-44.8	-177.9	-63.6	-4.7	0	0	0	112.2	T346 L347 A348 N350 N458 V462 I463 V464 L471	T346-D460 VanDerWaalsContact CB-CG 3.41Å; T346-D460 WeakPolarHBondContact CB-OD1 3.35Å; T346-D460 WeakPolarHBondContact CB-OD2 3.35Å; T346-D460 PolarHBondContact OG1-OD1 3.47Å; T346-D460 PolarHBondContact OG1-OD2 3.13Å; T346-D460 VanDerWaalsContact OG1-OD2 3.13Å; L347-D460 PolarHBondContact N-OD2 3.34Å; L347-D460 VanDerWaalsContact N-OD2 3.12Å; A348-D460 PolarHBondContact N-OD2 2.88Å; N350-D460 PolarHBondContact ND2-OD1 2.68Å; N458-D460 VanDerWaalsContact C-N 3.3Å; N458-D460 PolarHBondContact O-N 3.45Å; D460-V462 VanDerWaalsContact C-N 3.32Å; D460-I463 PolarHBondContact O-N 3.1Å; D460-V464 WeakPolarHBondContact O-CG2 3.09Å; D460-V464 PolarHBondContact O-N 3.45Å; D460-L471 HydrophobicContact CB-CD1 3.66Å; D460-L471 HydrophobicContact CB-CD2 4.47Å; D460-L471 HydrophobicContact CB-CG 3.67Å
461	G	98	Very high	97.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-65.3	-36.6	177.4	0	0	0	0	0	112.4	N458 P459 G465 N466	N458-G461 PolarHBondContact O-N 3.47Å; N458-G461 PolarHBondContact OD1-N 3.08Å; P459-G461 VanDerWaalsContact C-N 3.34Å; P459-G461 PolarHBondContact O-N 2.83Å; G461-G465 PolarHBondContact O-N 3.39Å; G461-N466 PolarHBondContact O-N 3.31Å
462	V	98.2	Very high	97.3	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.006	2%	0.017	C	C	.	.	H	α-helix	trans	-66.5	-44.5	176.9	172	0	0	0	0	110.6	S174 R416 P419 M456 N458 P459 D460 V464 G465	S174-V462 WeakPolarHBondContact CA-O 3.47Å; S174-V462 WeakPolarHBondContact CB-O 3.5Å; S174-V462 PolarHBondContact N-O 3.22Å; S174-V462 WeakPolarHBondContact OG-CG1 3.37Å; S174-V462 PolarHBondContact OG-O 3.27Å; R416-V462 VanDerWaalsContact NH2-CG2 3.34Å; P419-V462 HydrophobicContact CB-CB 4.4Å; P419-V462 HydrophobicContact CB-CG2 3.67Å; P419-V462 VanDerWaalsContact CB-N 3.32Å; M456-V462 HydrophobicContact CE-CG1 4.08Å; M456-V462 HydrophobicContact CE-CG2 4.29Å; M456-V462 HydrophobicContact CG-CG2 4.2Å; M456-V462 HydrophobicContact SD-CB 3.82Å; M456-V462 HydrophobicContact SD-CG1 3.92Å; M456-V462 HydrophobicContact SD-CG2 3.68Å; N458-V462 WeakPolarHBondContact O-CG2 3.27Å; N458-V462 PolarHBondContact O-N 3.18Å; N458-V462 VanDerWaalsContact O-N 3.15Å; P459-V462 WeakPolarHBondContact O-CB 3.45Å; P459-V462 PolarHBondContact O-N 3.07Å; P459-V462 VanDerWaalsContact O-N 3.1Å; D460-V462 VanDerWaalsContact C-N 3.32Å; V462-V464 PolarHBondContact O-N 2.85Å; V462-G465 PolarHBondContact O-N 3.3Å
463	I	96.7	Very high	97	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60.9	-46.7	179.8	-67.8	159.8	0	0	0	110.9	I81 L83 E173 S174 Y318 N350 P459 D460 G465	I81-I463 HydrophobicContact CB-CD1 4.3Å; I81-I463 HydrophobicContact CD1-CG2 4.01Å; I81-I463 HydrophobicContact CG2-CD1 4.41Å; L83-I463 HydrophobicContact CD2-CG2 3.35Å; L83-I463 HydrophobicContact CG-CG2 4.48Å; E173-I463 HydrophobicContact CG-CB 4.48Å; E173-I463 HydrophobicContact CG-CG1 4.38Å; E173-I463 HydrophobicContact CG-CG2 4.43Å; S174-I463 PolarHBondContact N-O 2.93Å; Y318-I463 HydrophobicContact CD1-CD1 3.75Å; Y318-I463 HydrophobicContact CD1-CG1 4.15Å; Y318-I463 HydrophobicContact CE1-CD1 4.33Å; Y318-I463 HydrophobicContact CG-CD1 4.31Å; Y318-I463 HydrophobicContact CG-CG1 4.4Å; N350-I463 VanDerWaalsContact ND2-CD1 3.34Å; N350-I463 WeakPolarHBondContact ND2-CD1 3.35Å; P459-I463 VanDerWaalsContact O-CG1 3.3Å; P459-I463 WeakPolarHBondContact O-CG1 3.4Å; P459-I463 PolarHBondContact O-N 3.02Å; D460-I463 PolarHBondContact O-N 3.1Å; I463-G465 VanDerWaalsContact C-N 3.33Å; I463-G465 PolarHBondContact O-N 3.35Å
464	V	96.4	Very high	96.7	Very high	1 Å²	1	2.3 Å²	2.3	1%	0.006	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	4.6	-175.2	-53.9	0	0	0	0	115.3	P84 F87 R193 L196 D460 V462 N466 L471	P84-V464 HydrophobicContact CG-CG1 4Å; F87-V464 HydrophobicContact CD2-CB 4.4Å; F87-V464 HydrophobicContact CD2-CG1 4.28Å; F87-V464 HydrophobicContact CE2-CB 3.84Å; F87-V464 HydrophobicContact CE2-CG1 4.19Å; F87-V464 HydrophobicContact CZ-CB 3.97Å; F87-V464 HydrophobicContact CZ-CG1 4.37Å; R193-V464 PolarHBondContact NH2-O 2.86Å; L196-V464 HydrophobicContact CD1-CB 3.75Å; L196-V464 HydrophobicContact CD1-CG1 3.93Å; L196-V464 HydrophobicContact CD1-CG2 3.7Å; L196-V464 HydrophobicContact CG-CB 4.35Å; L196-V464 HydrophobicContact CG-CG2 3.93Å; D460-V464 WeakPolarHBondContact O-CG2 3.09Å; D460-V464 PolarHBondContact O-N 3.45Å; V462-V464 PolarHBondContact O-N 2.85Å; V464-N466 HydrophobicContact CG2-CB 4.4Å; V464-L471 HydrophobicContact CG1-CD2 4.38Å; V464-L471 HydrophobicContact CG2-CD2 4.13Å
465	G	97.4	Very high	96.5	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	31.3	178.7	0	0	0	0	0	114.8	S174 N176 G461 V462 I463	S174-G465 WeakPolarHBondContact O-CA 3.42Å; N176-G465 WeakPolarHBondContact CB-O 3.46Å; N176-G465 PolarHBondContact ND2-O 3.02Å; G461-G465 PolarHBondContact O-N 3.39Å; V462-G465 PolarHBondContact O-N 3.3Å; I463-G465 VanDerWaalsContact C-N 3.33Å; I463-G465 PolarHBondContact O-N 3.35Å
466	N	97.4	Very high	96.3	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.005	2%	0.016	C	C	.	.			trans	-69.6	156.1	168.6	-80.9	3.9	0	0	0	110.6	D195 L196 P419 G420 G461 V464 C469	D195-N466 WeakPolarHBondContact CA-OD1 3.26Å; D195-N466 HydrophobicContact CB-CB 4.43Å; D195-N466 VanDerWaalsContact OD1-CA 3.26Å; D195-N466 WeakPolarHBondContact OD1-CA 3.37Å; D195-N466 WeakPolarHBondContact OD1-CB 3.4Å; L196-N466 PolarHBondContact N-OD1 2.72Å; P419-N466 HydrophobicContact CB-CB 4.46Å; P419-N466 HydrophobicContact CG-CB 3.59Å; P419-N466 WeakPolarHBondContact CG-O 3.26Å; G420-N466 PolarHBondContact N-O 3.13Å; G461-N466 PolarHBondContact O-N 3.31Å; V464-N466 HydrophobicContact CG2-CB 4.4Å; N466-C469 PolarHBondContact ND2-O 2.87Å
467	Y	96	Very high	96.2	Very high	4 Å²	4	2.6 Å²	2.6	2%	0.016	2%	0.016	C	C	.	.	S	Bend	trans	-87.1	-47.9	167.6	172.6	-123.3	0	0	0	113	D195 Y201 Q203 W204 K227 P419 G420 E421 F589	D195-Y467 PolarHBondContact OD1-N 2.75Å; Y201-Y467 WeakPolarHBondContact O-CB 3.46Å; Q203-Y467 HydrophobicContact CB-CD1 3.56Å; Q203-Y467 HydrophobicContact CB-CD2 4.04Å; Q203-Y467 HydrophobicContact CB-CE1 3.93Å; Q203-Y467 HydrophobicContact CB-CE2 4.41Å; Q203-Y467 HydrophobicContact CB-CG 3.67Å; Q203-Y467 HydrophobicContact CG-CD1 4.27Å; Q203-Y467 HydrophobicContact CG-CD2 4.28Å; Q203-Y467 HydrophobicContact CG-CE1 4.17Å; Q203-Y467 HydrophobicContact CG-CE2 4.22Å; Q203-Y467 HydrophobicContact CG-CG 4.37Å; W204-Y467 HydrophobicContact CB-CD2 4.29Å; W204-Y467 HydrophobicContact CB-CG 4.46Å; K227-Y467 PolarHBondContact NZ-OH 3Å; P419-Y467 VanDerWaalsContact CD-O 3.26Å; P419-Y467 WeakPolarHBondContact CD-O 3.44Å; G420-Y467 PolarHBondContact N-O 2.71Å; E421-Y467 HydrophobicContact CG-CE2 4.01Å; E421-Y467 PolarHBondContact OE1-OH 3.1Å; Y467-F589 HydrophobicContact CE2-CZ 4.25Å
468	R	95.1	Very high	95.9	Very high	7 Å²	7	3.5 Å²	3.5	3%	0.026	2%	0.02	C	C	.	.	S	Bend	trans	-124.8	-44	-160.9	-164.9	71.7	-177.8	-165.5	-1.9	114.6	D195 Y201 H418 P419 E421 D475 S671	D195-R468 WeakPolarHBondContact OD2-CA 3.43Å; D195-R468 WeakPolarHBondContact OD2-CB 3.16Å; D195-R468 PolarHBondContact OD2-N 3.31Å; Y201-R468 HydrophobicContact CD1-CB 4.13Å; Y201-R468 HydrophobicContact CD1-CG 4.13Å; Y201-R468 HydrophobicContact CD2-CB 4.08Å; Y201-R468 HydrophobicContact CD2-CG 4.38Å; Y201-R468 HydrophobicContact CE1-CG 4.31Å; Y201-R468 HydrophobicContact CG-CB 3.77Å; Y201-R468 HydrophobicContact CG-CG 4.19Å; H418-R468 PolarHBondContact CE1-NH1 3.35Å; H418-R468 PolarHBondContact CE1-NH2 2.96Å; H418-R468 VanDerWaalsContact CE1-NH2 3.25Å; H418-R468 PolarHBondContact ND1-NH1 3.37Å; H418-R468 VanDerWaalsContact NE2-CZ 3.33Å; H418-R468 PolarHBondContact NE2-NE 2.84Å; H418-R468 PolarHBondContact NE2-NH2 2.91Å; P419-R468 WeakPolarHBondContact CD-O 3.42Å; E421-R468 IonicContact OE1-NH1 3.16Å; E421-R468 PolarHBondContact OE1-NH1 2.83Å; R468-D475 HydrophobicContact CG-CB 4.36Å; R468-D475 IonicContact CZ-OD2 3.99Å; R468-D475 VanDerWaalsContact CZ-OD2 3.29Å; R468-D475 IonicContact NE-OD2 2.65Å; R468-D475 PolarHBondContact NE-OD2 2.86Å; R468-D475 IonicContact NH2-OD2 2.7Å; R468-D475 PolarHBondContact NH2-OD2 2.88Å; R468-S671 PolarHBondContact NH1-OG 3.29Å; R468-S671 PolarHBondContact NH2-OG 2.88Å
469	C	95.5	Very high	95.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	B	Isolated β-bridge	trans	-99	158.4	-167	-68.6	0	0	0	0	113.7	D195 T198 Y201 N458 N466 C474 D475	D195-C469 HydrophobicContact CB-CB 4.17Å; D195-C469 PolarHBondContact OD2-N 2.88Å; T198-C469 HydrophobicContact CG2-CB 4.21Å; Y201-C469 VanDerWaalsContact CD2-SG 3.51Å; Y201-C469 VanDerWaalsContact CE2-SG 3.52Å; N458-C469 PolarHBondContact ND2-O 3.29Å; N466-C469 PolarHBondContact ND2-O 2.87Å; C469-C474 VanDerWaalsContact CA-O 3.3Å; C469-C474 WeakPolarHBondContact CA-O 2.97Å; C469-C474 WeakPolarHBondContact CB-O 3.34Å; C469-D475 PolarHBondContact SG-N 3.39Å; C469-D475 VanDerWaalsContact SG-N 3.37Å
470	S	95.9	Very high	95.5	Very high	6 Å²	6	4.2 Å²	4.2	4%	0.042	2%	0.022	C	C	.	.			trans	-87.2	175.1	161.9	62.6	0	0	0	0	111.2	N458 S472 G473 C474 L476	N458-S470 PolarHBondContact ND2-N 3.22Å; N458-S470 WeakPolarHBondContact OD1-CB 3.35Å; S470-S472 PolarHBondContact O-N 2.79Å; S470-S472 PolarHBondContact OG-OG 3.39Å; S470-G473 PolarHBondContact O-N 3.32Å; S470-C474 PolarHBondContact N-O 2.79Å; S470-C474 VanDerWaalsContact N-O 3.1Å; S470-L476 WeakPolarHBondContact OG-CD2 3.16Å
471	L	95.5	Very high	95.3	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.01	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-1.3	176.3	-53.9	-179.2	0	0	0	114.7	P84 F144 L196 Y197 L347 A348 D460 V464	P84-L471 HydrophobicContact CG-CD1 4.13Å; P84-L471 HydrophobicContact CG-CD2 4.18Å; F144-L471 HydrophobicContact CB-CB 4.09Å; F144-L471 WeakPolarHBondContact CB-O 3.33Å; F144-L471 HydrophobicContact CD2-CB 4.19Å; F144-L471 HydrophobicContact CD2-CD1 3.72Å; F144-L471 HydrophobicContact CE2-CD1 3.85Å; F144-L471 HydrophobicContact CG-CB 4.18Å; F144-L471 HydrophobicContact CG-CD1 4.42Å; L196-L471 HydrophobicContact CB-CD2 4.43Å; L196-L471 HydrophobicContact CD1-CD2 4.06Å; Y197-L471 HydrophobicContact CD2-CB 4.35Å; Y197-L471 VanDerWaalsContact CD2-O 3.23Å; Y197-L471 WeakPolarHBondContact CD2-O 3.22Å; Y197-L471 HydrophobicContact CE2-CB 3.99Å; Y197-L471 HydrophobicContact CE2-CD2 4Å; L347-L471 HydrophobicContact CB-CB 4.44Å; L347-L471 HydrophobicContact CD1-CB 4.17Å; A348-L471 HydrophobicContact CB-CD1 3.94Å; D460-L471 HydrophobicContact CB-CD1 3.66Å; D460-L471 HydrophobicContact CB-CD2 4.47Å; D460-L471 HydrophobicContact CB-CG 3.67Å; V464-L471 HydrophobicContact CG1-CD2 4.38Å; V464-L471 HydrophobicContact CG2-CD2 4.13Å
472	S	93.9	Very high	94.9	Very high	6 Å²	6	10.1 Å²	10.1	4%	0.042	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.2	166.8	63	0	0	0	0	113.4	S470 C474 A681	S470-S472 PolarHBondContact O-N 2.79Å; S470-S472 PolarHBondContact OG-OG 3.39Å; S472-C474 WeakPolarHBondContact OG-CB 3.29Å; S472-C474 PolarHBondContact OG-N 2.92Å; S472-C474 VanDerWaalsContact OG-N 3.16Å; S472-A681 PolarHBondContact O-N 2.8Å
473	G	92	Very high	94.4	Very high	8 Å²	8	14.8 Å²	14.8	8%	0.082	9%	0.093	C	C	.	.	S	Bend	trans	83.9	9.1	-166.7	0	0	0	0	0	113.8	S470	S470-G473 PolarHBondContact O-N 3.32Å
474	C	92.9	Very high	94.1	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.027	11%	0.105	C	C	.	.	S	Bend	trans	-120.5	147.3	-174.8	-53.9	0	0	0	0	113.7	C469 S470 S472 L476 F488	C469-C474 VanDerWaalsContact CA-O 3.3Å; C469-C474 WeakPolarHBondContact CA-O 2.97Å; C469-C474 WeakPolarHBondContact CB-O 3.34Å; S470-C474 PolarHBondContact N-O 2.79Å; S470-C474 VanDerWaalsContact N-O 3.1Å; S472-C474 WeakPolarHBondContact OG-CB 3.29Å; S472-C474 PolarHBondContact OG-N 2.92Å; S472-C474 VanDerWaalsContact OG-N 3.16Å; C474-L476 PolarHBondContact O-N 3.19Å; C474-F488 HydrophobicContact CB-CE1 3.88Å; C474-F488 HydrophobicContact CB-CZ 4.41Å
475	D	94.1	Very high	94	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-61.5	119.1	160.3	179.6	-31.9	0	0	0	107.9	H418 R468 C469 N477 K479	H418-D475 IonicContact CD2-OD1 2.67Å; H418-D475 IonicContact NE2-OD1 3.12Å; H418-D475 PolarHBondContact NE2-OD1 3.48Å; H418-D475 IonicContact NE2-OD2 2.74Å; R468-D475 HydrophobicContact CG-CB 4.36Å; R468-D475 IonicContact CZ-OD2 3.99Å; R468-D475 VanDerWaalsContact CZ-OD2 3.29Å; R468-D475 IonicContact NE-OD2 2.65Å; R468-D475 PolarHBondContact NE-OD2 2.86Å; R468-D475 IonicContact NH2-OD2 2.7Å; R468-D475 PolarHBondContact NH2-OD2 2.88Å; C469-D475 PolarHBondContact SG-N 3.39Å; C469-D475 VanDerWaalsContact SG-N 3.37Å; D475-N477 WeakPolarHBondContact OD1-CA 3.4Å; D475-N477 PolarHBondContact OD1-N 2.91Å; D475-K479 WeakPolarHBondContact O-CG 3.3Å
476	L	95.7	Very high	93.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-73.5	-30.3	-177.6	-76.1	-175.6	0	0	0	112.5	V417 N458 S470 C474 R478 K479 F488 I491	V417-L476 HydrophobicContact CG2-CB 3.45Å; V417-L476 VanDerWaalsContact CG2-CB 3.45Å; V417-L476 HydrophobicContact CG2-CD1 4.48Å; N458-L476 HydrophobicContact CB-CD1 3.96Å; S470-L476 WeakPolarHBondContact OG-CD2 3.16Å; C474-L476 PolarHBondContact O-N 3.19Å; L476-R478 PolarHBondContact O-N 2.94Å; L476-K479 PolarHBondContact O-N 3.31Å; L476-K479 VanDerWaalsContact O-N 3.08Å; L476-F488 HydrophobicContact CD2-CB 4.43Å; L476-F488 HydrophobicContact CD2-CD1 3.85Å; L476-I491 HydrophobicContact CB-CD1 3.97Å; L476-I491 HydrophobicContact CB-CG1 3.83Å; L476-I491 HydrophobicContact CD1-CG1 4.31Å; L476-I491 HydrophobicContact CD2-CG1 4.01Å; L476-I491 HydrophobicContact CG-CG1 4.27Å
477	N	95.5	Very high	93.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-80.9	23.8	178.5	-152	-8.5	0	0	0	112.5	V417 D475 Y480 D512 H514 T569 G570	V417-N477 HydrophobicContact CG1-CB 3.85Å; V417-N477 HydrophobicContact CG2-CB 3.95Å; D475-N477 WeakPolarHBondContact OD1-CA 3.4Å; D475-N477 PolarHBondContact OD1-N 2.91Å; N477-Y480 WeakPolarHBondContact OD1-CE2 3.18Å; N477-D512 PolarHBondContact ND2-OD2 2.98Å; N477-H514 PolarHBondContact ND2-NE2 2.89Å; N477-T569 WeakPolarHBondContact O-CA 3.25Å; N477-T569 VanDerWaalsContact O-CG2 3.23Å; N477-T569 WeakPolarHBondContact O-CG2 3.46Å; N477-T569 WeakPolarHBondContact OD1-CA 3.24Å; N477-T569 WeakPolarHBondContact OD1-CB 3.29Å; N477-G570 PolarHBondContact OD1-N 3.33Å
478	R	93	Very high	93.5	Very high	18 Å²	18	31.9 Å²	31.9	7%	0.068	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-122.8	8.7	162.6	-61.9	-62.7	179.4	-73.8	-1.5	112.7	L476 E565 G568 S673 C676	L476-R478 PolarHBondContact O-N 2.94Å; R478-E565 WeakPolarHBondContact CD-O 3.4Å; R478-E565 PolarHBondContact NE-O 2.64Å; R478-E565 VanDerWaalsContact NE-O 3.1Å; R478-G568 CarbonylContact C-O 3.49Å; R478-G568 WeakPolarHBondContact CA-O 3.34Å; R478-S673 PolarHBondContact NE-OG 2.84Å; R478-S673 PolarHBondContact NH2-OG 2.9Å; R478-C676 VanDerWaalsContact CG-SG 3.57Å
479	K	93.7	Very high	93.6	Very high	14 Å²	14	32.4 Å²	32.4	6%	0.061	17%	0.169	C	C	.	.			trans	-117.4	11.2	-172	-53.5	-59.5	-172.1	-170.9	0	114.5	D475 L476 T481 S482 F488 G568 C676 E678	D475-K479 WeakPolarHBondContact O-CG 3.3Å; L476-K479 PolarHBondContact O-N 3.31Å; L476-K479 VanDerWaalsContact O-N 3.08Å; K479-T481 PolarHBondContact O-N 2.77Å; K479-S482 WeakPolarHBondContact O-CB 3.32Å; K479-S482 PolarHBondContact O-N 2.72Å; K479-F488 HydrophobicContact CB-CB 4.45Å; K479-F488 HydrophobicContact CB-CD1 4.25Å; K479-F488 HydrophobicContact CB-CD2 3.79Å; K479-F488 HydrophobicContact CB-CE1 4.49Å; K479-F488 HydrophobicContact CB-CE2 4.03Å; K479-F488 HydrophobicContact CB-CG 3.9Å; K479-F488 HydrophobicContact CB-CZ 4.37Å; K479-F488 HydrophobicContact CD-CD2 4.42Å; K479-F488 HydrophobicContact CD-CE1 4.24Å; K479-F488 HydrophobicContact CD-CE2 3.76Å; K479-F488 HydrophobicContact CD-CZ 3.64Å; K479-F488 HydrophobicContact CG-CD1 4.01Å; K479-F488 HydrophobicContact CG-CD2 4.05Å; K479-F488 HydrophobicContact CG-CE1 3.81Å; K479-F488 HydrophobicContact CG-CE2 3.82Å; K479-F488 HydrophobicContact CG-CG 4.13Å; K479-F488 HydrophobicContact CG-CZ 3.69Å; K479-G568 PolarHBondContact N-O 3.29Å; K479-C676 PolarHBondContact NZ-O 3.29Å; K479-E678 PolarHBondContact NZ-O 2.85Å
480	Y	95.8	Very high	93.7	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.02	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.9	177.7	-79.1	-94.5	0	0	0	114.1	L457 N477 I491 K495 Y510 G568 G570 M574	L457-Y480 WeakPolarHBondContact CD1-OH 3.45Å; N477-Y480 WeakPolarHBondContact OD1-CE2 3.18Å; Y480-I491 HydrophobicContact CD1-CG2 3.59Å; Y480-I491 HydrophobicContact CD2-CG2 3.74Å; Y480-I491 HydrophobicContact CE1-CD1 4.41Å; Y480-I491 HydrophobicContact CE1-CG2 3.9Å; Y480-I491 HydrophobicContact CE2-CD1 3.83Å; Y480-I491 HydrophobicContact CE2-CG2 4.06Å; Y480-I491 HydrophobicContact CG-CG2 3.52Å; Y480-K495 WeakPolarHBondContact O-CD 3.22Å; Y480-Y510 PolarHBondContact OH-OH 2.7Å; Y480-G568 PolarHBondContact N-O 2.97Å; Y480-G568 VanDerWaalsContact N-O 3.13Å; Y480-G570 VanDerWaalsContact CE2-N 3.3Å; Y480-G570 VanDerWaalsContact CG-CA 3.49Å; Y480-M574 HydrophobicContact CD1-CE 3.63Å; Y480-M574 HydrophobicContact CE1-CE 4.05Å
481	T	93.1	Very high	93.8	Very high	94 Å²	94	32.6 Å²	32.6	58%	0.577	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.2	169.4	48.4	0	0	0	0	113.8	K479 V573	K479-T481 PolarHBondContact O-N 2.77Å; T481-V573 HydrophobicContact CG2-CG2 3.74Å
482	S	89.9	Confident	93.9	Very high	34 Å²	34	36 Å²	36	24%	0.238	18%	0.182	C	C	.	.			trans	-87.6	129.3	-169.6	-163.2	0	0	0	0	113.4	K479 L484	K479-S482 WeakPolarHBondContact O-CB 3.32Å; K479-S482 PolarHBondContact O-N 2.72Å; S482-L484 PolarHBondContact O-N 2.89Å; S482-L484 WeakPolarHBondContact OG-CB 3.25Å; S482-L484 PolarHBondContact OG-N 3.13Å
483	S	88.3	Confident	94.2	Very high	99 Å²	99	38.1 Å²	38.1	69%	0.692	19%	0.191	S	C	*	.			trans	-74.1	-4.7	169.7	54.9	0	0	0	0	113.9	K485	S483-K485 PolarHBondContact O-N 2.8Å
484	L	90.3	Very high	94.5	Very high	50 Å²	50	37.8 Å²	37.8	26%	0.262	19%	0.187	S	C	.	.			trans	-77.7	58.4	-172.8	-65.4	-178.3	0	0	0	113.8	S482 R486 F487 F488	S482-L484 PolarHBondContact O-N 2.89Å; S482-L484 WeakPolarHBondContact OG-CB 3.25Å; S482-L484 PolarHBondContact OG-N 3.13Å; L484-R486 PolarHBondContact O-N 3.29Å; L484-F487 HydrophobicContact CB-CD2 4.24Å; L484-F487 HydrophobicContact CD1-CD2 4.5Å; L484-F487 PolarHBondContact O-N 2.78Å; L484-F488 HydrophobicContact CB-CD2 3.99Å; L484-F488 HydrophobicContact CB-CE2 4.04Å; L484-F488 HydrophobicContact CD1-CE2 4.26Å; L484-F488 PolarHBondContact O-N 3.22Å; L484-F488 VanDerWaalsContact O-N 3.12Å
485	K	93.5	Very high	94.7	Very high	87 Å²	87	39.5 Å²	39.5	38%	0.378	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.1	-41.4	179.6	-178.5	177.3	-176.3	165.4	0	114.2	S483 F487 F488 P489 W492 H493	S483-K485 PolarHBondContact O-N 2.8Å; K485-F487 VanDerWaalsContact C-N 3.3Å; K485-F487 PolarHBondContact O-N 3.25Å; K485-F488 CarbonylContact O-C 3.57Å; K485-P489 WeakPolarHBondContact O-CA 3.49Å; K485-P489 VanDerWaalsContact O-N 3.16Å; K485-W492 HydrophobicContact CB-CB 4.31Å; K485-W492 HydrophobicContact CB-CD2 3.9Å; K485-W492 HydrophobicContact CB-CG 3.75Å; K485-W492 HydrophobicContact CD-CD2 3.69Å; K485-W492 HydrophobicContact CD-CE3 3.58Å; K485-W492 HydrophobicContact CD-CG 4.42Å; K485-W492 HydrophobicContact CD-CH2 3.89Å; K485-W492 HydrophobicContact CD-CZ2 3.97Å; K485-W492 HydrophobicContact CD-CZ3 3.7Å; K485-W492 VanDerWaalsContact CE-CZ3 3.41Å; K485-W492 HydrophobicContact CG-CB 4.3Å; K485-W492 HydrophobicContact CG-CD2 3.64Å; K485-W492 HydrophobicContact CG-CE3 3.81Å; K485-W492 HydrophobicContact CG-CG 3.87Å; K485-W492 HydrophobicContact CG-CZ3 4.44Å; K485-H493 WeakPolarHBondContact CE-NE2 3.43Å; K485-H493 PolarHBondContact NZ-NE2 2.83Å
486	R	91.6	Very high	94.9	Very high	194 Å²	194	42.6 Å²	42.6	73%	0.732	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-28.4	-179.2	179.5	171.6	176.1	143.6	3.9	114	L347 L484	L347-R486 WeakPolarHBondContact CD2-O 3.44Å; L484-R486 PolarHBondContact O-N 3.29Å
487	F	92.8	Very high	95	Very high	31 Å²	31	43.4 Å²	43.4	14%	0.136	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-26.4	-178	-63.3	-73.4	0	0	0	112.9	L484 K485 P680 Y682 Y683	L484-F487 HydrophobicContact CB-CD2 4.24Å; L484-F487 HydrophobicContact CD1-CD2 4.5Å; L484-F487 PolarHBondContact O-N 2.78Å; K485-F487 VanDerWaalsContact C-N 3.3Å; K485-F487 PolarHBondContact O-N 3.25Å; F487-P680 HydrophobicContact CB-CB 4.08Å; F487-P680 HydrophobicContact CB-CG 3.58Å; F487-P680 HydrophobicContact CD1-CB 3.63Å; F487-P680 HydrophobicContact CD1-CG 3.98Å; F487-P680 HydrophobicContact CD2-CB 4.46Å; F487-P680 HydrophobicContact CD2-CG 4.02Å; F487-P680 HydrophobicContact CE1-CB 4.18Å; F487-P680 HydrophobicContact CG-CB 3.8Å; F487-P680 HydrophobicContact CG-CG 3.58Å; F487-Y682 AromaticContact CE1-CD1 3.84Å; F487-Y682 HydrophobicContact CE1-CD1 3.84Å; F487-Y682 HydrophobicContact CE1-CG 4.44Å; F487-Y682 AromaticContact CZ-CD1 3.79Å; F487-Y682 HydrophobicContact CZ-CD1 3.79Å; F487-Y682 HydrophobicContact CZ-CE1 4.43Å; F487-Y683 HydrophobicContact CE2-CD2 4.3Å
488	F	95.5	Very high	95.2	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	21%	0.212	C	C	.	.			trans	-125.5	54.6	179.9	-44.6	-55.2	0	0	0	111.5	C474 L476 K479 L484 K485 T490 I491 W492 P680	C474-F488 HydrophobicContact CB-CE1 3.88Å; C474-F488 HydrophobicContact CB-CZ 4.41Å; L476-F488 HydrophobicContact CD2-CB 4.43Å; L476-F488 HydrophobicContact CD2-CD1 3.85Å; K479-F488 HydrophobicContact CB-CB 4.45Å; K479-F488 HydrophobicContact CB-CD1 4.25Å; K479-F488 HydrophobicContact CB-CD2 3.79Å; K479-F488 HydrophobicContact CB-CE1 4.49Å; K479-F488 HydrophobicContact CB-CE2 4.03Å; K479-F488 HydrophobicContact CB-CG 3.9Å; K479-F488 HydrophobicContact CB-CZ 4.37Å; K479-F488 HydrophobicContact CD-CD2 4.42Å; K479-F488 HydrophobicContact CD-CE1 4.24Å; K479-F488 HydrophobicContact CD-CE2 3.76Å; K479-F488 HydrophobicContact CD-CZ 3.64Å; K479-F488 HydrophobicContact CG-CD1 4.01Å; K479-F488 HydrophobicContact CG-CD2 4.05Å; K479-F488 HydrophobicContact CG-CE1 3.81Å; K479-F488 HydrophobicContact CG-CE2 3.82Å; K479-F488 HydrophobicContact CG-CG 4.13Å; K479-F488 HydrophobicContact CG-CZ 3.69Å; L484-F488 HydrophobicContact CB-CD2 3.99Å; L484-F488 HydrophobicContact CB-CE2 4.04Å; L484-F488 HydrophobicContact CD1-CE2 4.26Å; L484-F488 PolarHBondContact O-N 3.22Å; L484-F488 VanDerWaalsContact O-N 3.12Å; K485-F488 CarbonylContact O-C 3.57Å; F488-T490 VanDerWaalsContact C-N 3.32Å; F488-T490 PolarHBondContact O-N 2.98Å; F488-I491 HydrophobicContact CB-CB 4.42Å; F488-I491 PolarHBondContact O-N 3.28Å; F488-W492 WeakPolarHBondContact O-CB 3.36Å; F488-W492 PolarHBondContact O-N 2.92Å; F488-P680 HydrophobicContact CE1-CG 4.11Å; F488-P680 HydrophobicContact CE2-CG 4.24Å; F488-P680 HydrophobicContact CZ-CG 3.57Å
489	P	97.1	Very high	95.4	Very high	19 Å²	19	44 Å²	44	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-40.1	-170.8	24.4	-34.2	0	0	0	112.3	Y345 K485 I491 W492 H493	Y345-P489 WeakPolarHBondContact O-CG 3.46Å; K485-P489 WeakPolarHBondContact O-CA 3.49Å; K485-P489 VanDerWaalsContact O-N 3.16Å; P489-I491 PolarHBondContact O-N 3.17Å; P489-W492 PolarHBondContact O-N 2.87Å; P489-H493 WeakPolarHBondContact O-CB 3.5Å; P489-H493 PolarHBondContact O-CD2 3.24Å; P489-H493 VanDerWaalsContact O-CD2 3.3Å; P489-H493 PolarHBondContact O-N 2.79Å
490	T	98.3	Very high	95.6	Very high	7 Å²	7	47 Å²	47	4%	0.043	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-45.9	-178.1	70.5	0	0	0	0	111.8	C344 T346 V352 L457 F488 T494	C344-T490 VanDerWaalsContact SG-CA 3.6Å; T346-T490 HydrophobicContact CG2-CG2 4.02Å; V352-T490 HydrophobicContact CG2-CG2 3.56Å; L457-T490 VanDerWaalsContact O-CB 3.25Å; L457-T490 WeakPolarHBondContact O-CB 3.4Å; L457-T490 WeakPolarHBondContact O-CG2 3.3Å; L457-T490 PolarHBondContact O-OG1 3.1Å; F488-T490 VanDerWaalsContact C-N 3.32Å; F488-T490 PolarHBondContact O-N 2.98Å; T490-T494 VanDerWaalsContact O-CB 3.28Å; T490-T494 WeakPolarHBondContact O-CB 3.35Å; T490-T494 PolarHBondContact O-N 3.47Å; T490-T494 PolarHBondContact O-OG1 3.32Å
491	I	98.1	Very high	95.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-70.2	-43.1	178.5	-57.3	-57.4	0	0	0	111.9	V417 L457 L476 Y480 F488 P489 T494 K495	V417-I491 HydrophobicContact CG2-CD1 3.79Å; L457-I491 HydrophobicContact CD1-CD1 4.33Å; L476-I491 HydrophobicContact CB-CD1 3.97Å; L476-I491 HydrophobicContact CB-CG1 3.83Å; L476-I491 HydrophobicContact CD1-CG1 4.31Å; L476-I491 HydrophobicContact CD2-CG1 4.01Å; L476-I491 HydrophobicContact CG-CG1 4.27Å; Y480-I491 HydrophobicContact CD1-CG2 3.59Å; Y480-I491 HydrophobicContact CD2-CG2 3.74Å; Y480-I491 HydrophobicContact CE1-CD1 4.41Å; Y480-I491 HydrophobicContact CE1-CG2 3.9Å; Y480-I491 HydrophobicContact CE2-CD1 3.83Å; Y480-I491 HydrophobicContact CE2-CG2 4.06Å; Y480-I491 HydrophobicContact CG-CG2 3.52Å; F488-I491 HydrophobicContact CB-CB 4.42Å; F488-I491 PolarHBondContact O-N 3.28Å; P489-I491 PolarHBondContact O-N 3.17Å; I491-T494 PolarHBondContact O-N 2.72Å; I491-K495 PolarHBondContact O-N 2.87Å
492	W	97.9	Very high	95.8	Very high	74 Å²	74	45.6 Å²	45.6	28%	0.28	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-47.9	177.7	-172.1	94.6	0	0	0	111.4	K485 F488 P489 K495 Q496	K485-W492 HydrophobicContact CB-CB 4.31Å; K485-W492 HydrophobicContact CB-CD2 3.9Å; K485-W492 HydrophobicContact CB-CG 3.75Å; K485-W492 HydrophobicContact CD-CD2 3.69Å; K485-W492 HydrophobicContact CD-CE3 3.58Å; K485-W492 HydrophobicContact CD-CG 4.42Å; K485-W492 HydrophobicContact CD-CH2 3.89Å; K485-W492 HydrophobicContact CD-CZ2 3.97Å; K485-W492 HydrophobicContact CD-CZ3 3.7Å; K485-W492 VanDerWaalsContact CE-CZ3 3.41Å; K485-W492 HydrophobicContact CG-CB 4.3Å; K485-W492 HydrophobicContact CG-CD2 3.64Å; K485-W492 HydrophobicContact CG-CE3 3.81Å; K485-W492 HydrophobicContact CG-CG 3.87Å; K485-W492 HydrophobicContact CG-CZ3 4.44Å; F488-W492 WeakPolarHBondContact O-CB 3.36Å; F488-W492 PolarHBondContact O-N 2.92Å; P489-W492 PolarHBondContact O-N 2.87Å; W492-K495 PolarHBondContact O-N 2.9Å; W492-Q496 HydrophobicContact CD2-CG 4.01Å; W492-Q496 HydrophobicContact CE3-CG 3.85Å; W492-Q496 HydrophobicContact CH2-CG 3.69Å; W492-Q496 HydrophobicContact CZ2-CG 3.84Å; W492-Q496 HydrophobicContact CZ3-CB 4.32Å; W492-Q496 HydrophobicContact CZ3-CG 3.68Å; W492-Q496 WeakPolarHBondContact O-CG 3.36Å; W492-Q496 PolarHBondContact O-N 2.85Å
493	H	98.5	Very high	96.1	Very high	51 Å²	51	51 Å²	51	24%	0.236	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-38	177.9	-84	-110.9	0	0	0	112.1	L343 C344 K485 P489 Q496 M497	L343-H493 HydrophobicContact CD1-CB 4.1Å; L343-H493 HydrophobicContact CG-CB 4.04Å; L343-H493 PolarHBondContact O-ND1 2.81Å; C344-H493 HydrophobicContact CB-CB 3.79Å; C344-H493 VanDerWaalsContact CB-CG 3.49Å; K485-H493 WeakPolarHBondContact CE-NE2 3.43Å; K485-H493 PolarHBondContact NZ-NE2 2.83Å; P489-H493 WeakPolarHBondContact O-CB 3.5Å; P489-H493 PolarHBondContact O-CD2 3.24Å; P489-H493 VanDerWaalsContact O-CD2 3.3Å; P489-H493 PolarHBondContact O-N 2.79Å; H493-Q496 PolarHBondContact O-N 3.33Å; H493-M497 WeakPolarHBondContact O-CB 3.3Å; H493-M497 PolarHBondContact O-N 2.78Å
494	T	98.6	Very high	96.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-47.8	174.9	-58.6	0	0	0	0	111.5	L343 T414 L457 T490 I491 Q496 M497 I498	L343-T494 WeakPolarHBondContact CD2-OG1 3.47Å; T414-T494 HydrophobicContact CG2-CG2 3.91Å; L457-T494 HydrophobicContact CD2-CG2 4.26Å; L457-T494 WeakPolarHBondContact CD2-OG1 3.25Å; T490-T494 VanDerWaalsContact O-CB 3.28Å; T490-T494 WeakPolarHBondContact O-CB 3.35Å; T490-T494 PolarHBondContact O-N 3.47Å; T490-T494 PolarHBondContact O-OG1 3.32Å; I491-T494 PolarHBondContact O-N 2.72Å; T494-Q496 VanDerWaalsContact C-N 3.35Å; T494-Q496 PolarHBondContact O-N 2.96Å; T494-M497 PolarHBondContact O-N 2.79Å; T494-I498 HydrophobicContact CG2-CD1 3.98Å; T494-I498 WeakPolarHBondContact O-CG1 3.49Å; T494-I498 PolarHBondContact O-N 3.37Å
495	K	98.2	Very high	96.6	Very high	40 Å²	40	52.9 Å²	52.9	17%	0.174	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-43.5	175.7	176	164.6	-175.4	172.3	0	112.2	Y480 I491 W492 I498 I499 V573 M574 E577	Y480-K495 WeakPolarHBondContact O-CD 3.22Å; I491-K495 PolarHBondContact O-N 2.87Å; W492-K495 PolarHBondContact O-N 2.9Å; K495-I498 PolarHBondContact O-N 3.42Å; K495-I499 HydrophobicContact CD-CD1 4.33Å; K495-I499 HydrophobicContact CG-CD1 3.77Å; K495-I499 HydrophobicContact CG-CG1 4.49Å; K495-I499 WeakPolarHBondContact O-CG1 3.35Å; K495-I499 PolarHBondContact O-N 2.82Å; K495-V573 HydrophobicContact CD-CG1 4.01Å; K495-V573 VanDerWaalsContact NZ-CG1 3.32Å; K495-M574 HydrophobicContact CB-CE 4.05Å; K495-M574 HydrophobicContact CD-CE 4.3Å; K495-M574 HydrophobicContact CG-CE 4.01Å; K495-E577 WeakPolarHBondContact CE-OE1 3.24Å; K495-E577 IonicContact NZ-OE1 2.98Å; K495-E577 PolarHBondContact NZ-OE1 2.82Å
496	Q	97.8	Very high	96.7	Very high	67 Å²	67	54.7 Å²	54.7	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-68.9	-35	178.7	-66.4	-59.2	-78.8	0	0	113	W492 H493 T494 N500	W492-Q496 HydrophobicContact CD2-CG 4.01Å; W492-Q496 HydrophobicContact CE3-CG 3.85Å; W492-Q496 HydrophobicContact CH2-CG 3.69Å; W492-Q496 HydrophobicContact CZ2-CG 3.84Å; W492-Q496 HydrophobicContact CZ3-CB 4.32Å; W492-Q496 HydrophobicContact CZ3-CG 3.68Å; W492-Q496 WeakPolarHBondContact O-CG 3.36Å; W492-Q496 PolarHBondContact O-N 2.85Å; H493-Q496 PolarHBondContact O-N 3.33Å; T494-Q496 VanDerWaalsContact C-N 3.35Å; T494-Q496 PolarHBondContact O-N 2.96Å; Q496-N500 WeakPolarHBondContact O-CB 3.33Å; Q496-N500 VanDerWaalsContact O-CG 3.26Å; Q496-N500 PolarHBondContact O-N 2.75Å; Q496-N500 PolarHBondContact O-ND2 3.36Å
497	M	98.3	Very high	97	Very high	20 Å²	20	46.1 Å²	46.1	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-48.9	172.5	177.7	-82.3	-69.4	0	0	110.5	L343 L354 V412 K452 V454 H493 T494 N500 V501	L343-M497 HydrophobicContact CD1-CB 3.83Å; L343-M497 HydrophobicContact CD1-CG 4.17Å; L354-M497 HydrophobicContact CD1-CE 4.29Å; L354-M497 HydrophobicContact CD2-CG 4.06Å; V412-M497 HydrophobicContact CG1-CE 4.17Å; K452-M497 HydrophobicContact CB-SD 4.22Å; K452-M497 HydrophobicContact CG-SD 4.47Å; V454-M497 HydrophobicContact CG2-CE 4.11Å; H493-M497 WeakPolarHBondContact O-CB 3.3Å; H493-M497 PolarHBondContact O-N 2.78Å; T494-M497 PolarHBondContact O-N 2.79Å; M497-N500 PolarHBondContact O-N 2.9Å; M497-V501 WeakPolarHBondContact O-CG2 3.34Å; M497-V501 PolarHBondContact O-N 3.32Å; M497-V501 HydrophobicContact SD-CG2 3.95Å
498	I	98.5	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-48.2	179.6	-63.6	166.7	0	0	0	111.3	V412 T494 K495 N500 V501 M502 Y510 M574 I579	V412-I498 HydrophobicContact CG1-CD1 4.04Å; V412-I498 HydrophobicContact CG1-CG1 3.94Å; V412-I498 HydrophobicContact CG2-CG1 4.46Å; T494-I498 HydrophobicContact CG2-CD1 3.98Å; T494-I498 WeakPolarHBondContact O-CG1 3.49Å; T494-I498 PolarHBondContact O-N 3.37Å; K495-I498 PolarHBondContact O-N 3.42Å; I498-N500 PolarHBondContact O-N 2.86Å; I498-V501 PolarHBondContact O-N 2.78Å; I498-V501 VanDerWaalsContact O-N 3.15Å; I498-M502 HydrophobicContact CG2-CG 4.33Å; I498-M502 HydrophobicContact CG2-SD 3.92Å; I498-M502 VanDerWaalsContact O-CG 3.29Å; I498-M502 WeakPolarHBondContact O-CG 3.31Å; I498-M502 PolarHBondContact O-N 3.37Å; I498-Y510 HydrophobicContact CD1-CD2 3.73Å; I498-Y510 HydrophobicContact CD1-CE2 3.52Å; I498-M574 HydrophobicContact CB-SD 4.07Å; I498-M574 HydrophobicContact CD1-CE 4.35Å; I498-M574 HydrophobicContact CD1-CG 4.01Å; I498-M574 HydrophobicContact CD1-SD 3.69Å; I498-M574 HydrophobicContact CG1-SD 4.48Å; I498-M574 HydrophobicContact CG2-CG 4.5Å; I498-M574 HydrophobicContact CG2-SD 3.75Å; I498-I579 HydrophobicContact CG2-CD1 3.73Å
499	I	97.6	Very high	97.3	Very high	34 Å²	34	45 Å²	45	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-31.6	177.7	-72.6	171.2	0	0	0	112.2	K495 K503 E577	K495-I499 HydrophobicContact CD-CD1 4.33Å; K495-I499 HydrophobicContact CG-CD1 3.77Å; K495-I499 HydrophobicContact CG-CG1 4.49Å; K495-I499 WeakPolarHBondContact O-CG1 3.35Å; K495-I499 PolarHBondContact O-N 2.82Å; I499-K503 WeakPolarHBondContact O-CE 3.46Å; I499-K503 WeakPolarHBondContact O-CG 3.44Å; I499-E577 HydrophobicContact CD1-CG 4.34Å; I499-E577 WeakPolarHBondContact CD1-OE2 3.36Å; I499-E577 HydrophobicContact CG1-CG 4.35Å
500	N	97.4	Very high	97.3	Very high	77 Å²	77	44 Å²	44	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-77.8	-38.1	175.6	-73.2	-21.9	0	0	0	112.4	Q496 M497 I498 M502 K503	Q496-N500 WeakPolarHBondContact O-CB 3.33Å; Q496-N500 VanDerWaalsContact O-CG 3.26Å; Q496-N500 PolarHBondContact O-N 2.75Å; Q496-N500 PolarHBondContact O-ND2 3.36Å; M497-N500 PolarHBondContact O-N 2.9Å; I498-N500 PolarHBondContact O-N 2.86Å; N500-M502 VanDerWaalsContact C-N 3.34Å; N500-M502 PolarHBondContact O-N 3.4Å; N500-K503 WeakPolarHBondContact O-CB 3.41Å; N500-K503 PolarHBondContact O-N 2.91Å; N500-K503 PolarHBondContact OD1-NZ 3.45Å
501	V	96.8	Very high	97.4	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.048	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-42.5	172.7	164.9	0	0	0	0	111.2	C410 K452 M497 I498 K503 Q504 Y505 V507	C410-V501 HydrophobicContact CB-CG1 3.91Å; C410-V501 WeakPolarHBondContact SG-CG1 3.22Å; K452-V501 HydrophobicContact CG-CG2 4.23Å; M497-V501 WeakPolarHBondContact O-CG2 3.34Å; M497-V501 PolarHBondContact O-N 3.32Å; M497-V501 HydrophobicContact SD-CG2 3.95Å; I498-V501 PolarHBondContact O-N 2.78Å; I498-V501 VanDerWaalsContact O-N 3.15Å; V501-K503 PolarHBondContact O-N 3.1Å; V501-K503 VanDerWaalsContact O-N 3.09Å; V501-Q504 PolarHBondContact O-N 3.42Å; V501-Y505 HydrophobicContact CG1-CD2 4.25Å; V501-Y505 PolarHBondContact O-N 3.17Å; V501-V507 HydrophobicContact CG1-CG2 3.73Å
502	M	97	Very high	97.4	Very high	60 Å²	60	43.6 Å²	43.6	30%	0.296	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.3	177.1	-70.1	173.8	72.9	0	0	114.6	I498 N500 V507 E577 I579	I498-M502 HydrophobicContact CG2-CG 4.33Å; I498-M502 HydrophobicContact CG2-SD 3.92Å; I498-M502 VanDerWaalsContact O-CG 3.29Å; I498-M502 WeakPolarHBondContact O-CG 3.31Å; I498-M502 PolarHBondContact O-N 3.37Å; N500-M502 VanDerWaalsContact C-N 3.34Å; N500-M502 PolarHBondContact O-N 3.4Å; M502-V507 HydrophobicContact CG-CB 4.29Å; M502-V507 HydrophobicContact CG-CG2 3.6Å; M502-E577 HydrophobicContact CE-CB 4.38Å; M502-E577 WeakPolarHBondContact CE-O 3.46Å; M502-E577 HydrophobicContact SD-CB 4.39Å; M502-I579 HydrophobicContact CE-CD1 4.33Å; M502-I579 HydrophobicContact CE-CG1 3.74Å; M502-I579 HydrophobicContact CG-CD1 4.32Å; M502-I579 HydrophobicContact SD-CD1 3.67Å; M502-I579 HydrophobicContact SD-CG1 3.79Å
503	K	96.3	Very high	97.4	Very high	149 Å²	149	40.4 Å²	40.4	65%	0.648	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.8	172.6	-61.8	164.8	-168.9	169	0	112.9	I499 N500 V501	I499-K503 WeakPolarHBondContact O-CE 3.46Å; I499-K503 WeakPolarHBondContact O-CG 3.44Å; N500-K503 WeakPolarHBondContact O-CB 3.41Å; N500-K503 PolarHBondContact O-N 2.91Å; N500-K503 PolarHBondContact OD1-NZ 3.45Å; V501-K503 PolarHBondContact O-N 3.1Å; V501-K503 VanDerWaalsContact O-N 3.09Å
504	Q	92.9	Very high	97.4	Very high	117 Å²	117	38.1 Å²	38.1	55%	0.547	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-35.1	-174	-65.9	-179.9	-34.5	0	0	111.9	V501	V501-Q504 PolarHBondContact O-N 3.42Å
505	Y	95.2	Very high	97.3	Very high	70 Å²	70	38.2 Å²	38.2	28%	0.275	18%	0.18	S	C	.	.	S	Bend	trans	-139.7	146.9	-170.9	-50.7	-73.6	0	0	0	111.2	K408 C410 V450 V501 V507	K408-Y505 WeakPolarHBondContact O-CD1 3.35Å; C410-Y505 HydrophobicContact CB-CG 4.43Å; V450-Y505 HydrophobicContact CG2-CE1 4.14Å; V501-Y505 HydrophobicContact CG1-CD2 4.25Å; V501-Y505 PolarHBondContact O-N 3.17Å; Y505-V507 PolarHBondContact O-N 3.04Å
506	E	95.9	Very high	97.1	Very high	125 Å²	125	36.4 Å²	36.4	58%	0.584	17%	0.172	S	C	*	.			trans	-65.2	122.9	163.2	-177.7	-168.7	-154.8	0	0	109	R409 C410 V508	R409-E506 WeakPolarHBondContact CD-OE2 3.34Å; R409-E506 HydrophobicContact CG-CB 4.35Å; C410-E506 PolarHBondContact N-O 3.41Å; E506-V508 HydrophobicContact CG-CG2 4.16Å; E506-V508 PolarHBondContact O-N 3.36Å
507	V	97.4	Very high	96.7	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.085	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	99.2	172	-178.2	0	0	0	0	109.3	C410 V412 V501 M502 Y505 V509 I579	C410-V507 HydrophobicContact CB-CG2 4.06Å; C410-V507 CarbonylContact O-C 3.52Å; C410-V507 WeakPolarHBondContact O-CA 3.41Å; V412-V507 HydrophobicContact CG2-CG1 3.86Å; V412-V507 HydrophobicContact CG2-CG2 4.43Å; V501-V507 HydrophobicContact CG1-CG2 3.73Å; M502-V507 HydrophobicContact CG-CB 4.29Å; M502-V507 HydrophobicContact CG-CG2 3.6Å; Y505-V507 PolarHBondContact O-N 3.04Å; V507-V509 WeakPolarHBondContact CG1-O 3.35Å; V507-I579 HydrophobicContact CB-CD1 3.83Å; V507-I579 HydrophobicContact CB-CG1 4.05Å; V507-I579 HydrophobicContact CG1-CD1 3.57Å; V507-I579 HydrophobicContact CG1-CG1 4.15Å; V507-I579 HydrophobicContact CG1-CG2 4.3Å; V507-I579 HydrophobicContact CG2-CD1 4.37Å
508	V	96.4	Very high	96.3	Very high	10 Å²	10	33.8 Å²	33.8	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-30.6	-173.9	177	0	0	0	0	112	R409 C410 F449 E506 N581 Y622	R409-V508 HydrophobicContact CB-CG2 3.73Å; R409-V508 HydrophobicContact CG-CG2 4.16Å; C410-V508 PolarHBondContact O-N 3.06Å; F449-V508 HydrophobicContact CE1-CB 4.13Å; F449-V508 HydrophobicContact CE1-CG1 4.49Å; F449-V508 HydrophobicContact CE1-CG2 4.14Å; E506-V508 HydrophobicContact CG-CG2 4.16Å; E506-V508 PolarHBondContact O-N 3.36Å; V508-N581 VanDerWaalsContact O-CB 3.27Å; V508-N581 WeakPolarHBondContact O-CB 3.34Å; V508-N581 PolarHBondContact O-ND2 3.26Å; V508-Y622 HydrophobicContact CG1-CD1 4.11Å; V508-Y622 HydrophobicContact CG1-CE1 3.75Å
509	V	98	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	137.3	173.4	-178	0	0	0	0	110.9	V411 V412 V507 C511 N581 Y583 F615 L619	V411-V509 HydrophobicContact CG1-CB 4.47Å; V412-V509 PolarHBondContact N-O 3.35Å; V507-V509 WeakPolarHBondContact CG1-O 3.35Å; V509-C511 HydrophobicContact CG1-CB 4.35Å; V509-N581 WeakPolarHBondContact CA-O 3.5Å; V509-N581 HydrophobicContact CG2-CB 4.13Å; V509-Y583 HydrophobicContact CG1-CD2 3.96Å; V509-Y583 HydrophobicContact CG1-CE2 4.24Å; V509-F615 HydrophobicContact CG1-CZ 4Å; V509-L619 HydrophobicContact CG2-CD2 3.89Å
510	Y	98.7	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.8	157.9	168.9	-90	0	0	0	109	V412 T414 Y480 I498 D512 M574 N581 S582 Y583	V412-Y510 HydrophobicContact CB-CD2 4.12Å; V412-Y510 HydrophobicContact CG1-CD2 3.96Å; V412-Y510 HydrophobicContact CG1-CE2 4.37Å; V412-Y510 CarbonylContact O-C 3.6Å; V412-Y510 WeakPolarHBondContact O-CA 3.42Å; T414-Y510 HydrophobicContact CG2-CE2 4.09Å; T414-Y510 PolarHBondContact OG1-OH 3.12Å; Y480-Y510 PolarHBondContact OH-OH 2.7Å; I498-Y510 HydrophobicContact CD1-CD2 3.73Å; I498-Y510 HydrophobicContact CD1-CE2 3.52Å; Y510-D512 HydrophobicContact CE1-CB 4.08Å; Y510-M574 HydrophobicContact CD1-CB 4.01Å; Y510-M574 HydrophobicContact CD1-CG 4.02Å; Y510-M574 HydrophobicContact CD2-CB 4.44Å; Y510-M574 HydrophobicContact CD2-CG 3.83Å; Y510-M574 HydrophobicContact CE1-CB 4.42Å; Y510-M574 HydrophobicContact CE1-CG 4.07Å; Y510-M574 HydrophobicContact CE2-CG 3.85Å; Y510-M574 HydrophobicContact CG-CB 4.03Å; Y510-M574 HydrophobicContact CG-CG 3.91Å; Y510-N581 PolarHBondContact N-O 2.93Å; Y510-S582 WeakPolarHBondContact CD1-OG 3.3Å; Y510-S582 WeakPolarHBondContact O-CA 3.39Å; Y510-Y583 PolarHBondContact O-N 3.16Å
511	C	98.8	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.9	177.2	-161.6	0	0	0	0	112.7	V412 I413 T414 V509 F615	V412-C511 PolarHBondContact O-N 2.9Å; I413-C511 WeakPolarHBondContact CA-O 3.44Å; I413-C511 HydrophobicContact CG2-CB 4.43Å; T414-C511 PolarHBondContact N-O 2.92Å; V509-C511 HydrophobicContact CG1-CB 4.35Å; C511-F615 HydrophobicContact CB-CE2 4.1Å; C511-F615 HydrophobicContact CB-CZ 3.79Å
512	D	98.8	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.1	174.1	-153	1.7	0	0	0	109.8	T414 N477 Y510 H514 Y583 T584 L585	T414-D512 WeakPolarHBondContact OG1-CA 3.14Å; T414-D512 VanDerWaalsContact OG1-CG 3.24Å; T414-D512 PolarHBondContact OG1-OD1 2.67Å; N477-D512 PolarHBondContact ND2-OD2 2.98Å; Y510-D512 HydrophobicContact CE1-CB 4.08Å; D512-H514 IonicContact OD1-NE2 3.37Å; D512-H514 IonicContact OD2-NE2 3.67Å; D512-Y583 PolarHBondContact N-O 2.95Å; D512-T584 CarbonylContact O-C 3.6Å; D512-T584 WeakPolarHBondContact O-CA 3.49Å; D512-L585 PolarHBondContact O-N 3.37Å
513	L	98.8	Very high	95.8	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.9	-173.1	-58.6	-170.9	0	0	0	111.9	I413 T414 A415 M427 M428 L585	I413-L513 HydrophobicContact CG2-CD1 3.77Å; I413-L513 HydrophobicContact CG2-CD2 4.12Å; I413-L513 HydrophobicContact CG2-CG 3.7Å; T414-L513 WeakPolarHBondContact O-CB 3.42Å; T414-L513 WeakPolarHBondContact O-CG 3.09Å; T414-L513 PolarHBondContact O-N 3.16Å; A415-L513 HydrophobicContact CB-CB 3.95Å; A415-L513 HydrophobicContact CB-CD1 4.39Å; M427-L513 HydrophobicContact CB-CD1 4Å; M427-L513 HydrophobicContact CE-CB 4.16Å; M427-L513 HydrophobicContact CE-CD2 4.44Å; M428-L513 HydrophobicContact CB-CD1 4.07Å; M428-L513 HydrophobicContact CE-CD1 4.06Å; L513-L585 HydrophobicContact CD2-CB 3.85Å; L513-L585 HydrophobicContact CD2-CD2 3.85Å; L513-L585 HydrophobicContact CD2-CG 4.28Å
514	H	98.1	Very high	95.9	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.014	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	-176.9	-165.1	-94.5	-77.9	0	0	0	112.7	V417 H418 E421 M427 N477 D512 T584 L585 E586 A587	V417-H514 WeakPolarHBondContact CG1-CE1 3.47Å; V417-H514 WeakPolarHBondContact CG1-NE2 3.14Å; H418-H514 AromaticContact CE1-CE1 3.13Å; H418-H514 PolarHBondContact CE1-CE1 3.5Å; H418-H514 AromaticContact CE1-ND1 3.53Å; H418-H514 AromaticContact CG-CE1 3.84Å; H418-H514 AromaticContact ND1-CE1 3.22Å; H418-H514 PolarHBondContact ND1-CE1 3.37Å; H418-H514 AromaticContact ND1-ND1 3.29Å; H418-H514 PolarHBondContact ND1-ND1 2.89Å; H418-H514 AromaticContact NE2-CE1 3.75Å; E421-H514 IonicContact OE2-CE1 3.91Å; E421-H514 IonicContact OE2-CG 2.64Å; E421-H514 IonicContact OE2-ND1 3.88Å; E421-H514 PolarHBondContact OE2-ND1 2.97Å; M427-H514 WeakPolarHBondContact CE-O 3.32Å; N477-H514 PolarHBondContact ND2-NE2 2.89Å; D512-H514 IonicContact OD1-NE2 3.37Å; D512-H514 IonicContact OD2-NE2 3.67Å; H514-T584 HydrophobicContact CB-CG2 3.98Å; H514-T584 VanDerWaalsContact CD2-CG2 3.44Å; H514-T584 WeakPolarHBondContact CD2-CG2 3.33Å; H514-L585 WeakPolarHBondContact CA-O 3.24Å; H514-L585 WeakPolarHBondContact CB-O 3.27Å; H514-L585 PolarHBondContact N-O 3.02Å; H514-E586 HydrophobicContact CB-CG 4.46Å; H514-A587 PolarHBondContact O-N 3.38Å
515	G	96	Very high	96	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.021	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	164.4	153.6	0	0	0	0	0	117.6	E421 E586 A587	E421-G515 VanDerWaalsContact CD-O 3.23Å; E421-G515 PolarHBondContact OE2-N 3.13Å; G515-E586 VanDerWaalsContact CA-OE2 3.24Å; G515-E586 WeakPolarHBondContact CA-OE2 3.49Å; G515-E586 PolarHBondContact N-OE2 3.39Å; G515-A587 CarbonylContact C-O 3.53Å; G515-A587 VanDerWaalsContact C-O 3.31Å; G515-A587 WeakPolarHBondContact CA-O 3.27Å
516	H	93.6	Very high	96.1	Very high	3 Å²	3	14 Å²	14	1%	0.014	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	106.4	-151.3	-159.3	-88.1	0	0	0	111.8	L231 R518 K519 F523 Y525 E586 A587 G670	L231-H516 WeakPolarHBondContact CD1-O 3.15Å; H516-R518 PolarHBondContact O-N 2.82Å; H516-K519 VanDerWaalsContact CE1-CD 3.46Å; H516-K519 WeakPolarHBondContact CE1-CD 3.33Å; H516-K519 VanDerWaalsContact CE1-CG 3.46Å; H516-K519 WeakPolarHBondContact CE1-CG 3.42Å; H516-K519 WeakPolarHBondContact ND1-CB 3.36Å; H516-K519 PolarHBondContact ND1-N 3.38Å; H516-K519 VanDerWaalsContact ND1-N 3.15Å; H516-F523 HydrophobicContact CB-CE1 4.3Å; H516-F523 HydrophobicContact CB-CZ 4.02Å; H516-F523 AromaticContact CD2-CZ 3.84Å; H516-F523 AromaticContact CG-CZ 3.75Å; H516-Y525 PolarHBondContact NE2-OH 3.25Å; H516-E586 HydrophobicContact CB-CB 4.24Å; H516-E586 WeakPolarHBondContact CB-OE2 3.49Å; H516-E586 IonicContact CD2-OE1 3.24Å; H516-E586 IonicContact CD2-OE2 3.43Å; H516-E586 PolarHBondContact N-OE2 3.33Å; H516-A587 PolarHBondContact N-O 3.25Å; H516-G670 VanDerWaalsContact CE1-CA 3.48Å; H516-G670 WeakPolarHBondContact CE1-CA 3.49Å; H516-G670 WeakPolarHBondContact NE2-CA 3.25Å
517	S	90.2	Very high	96	Very high	6 Å²	6	8.1 Å²	8.1	4%	0.042	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	12.3	-174.5	78.7	0	0	0	0	115.4	K227 L231	K227-S517 WeakPolarHBondContact CD-OG 3.37Å; K227-S517 PolarHBondContact NZ-OG 3.11Å; L231-S517 VanDerWaalsContact CD1-C 3.44Å; L231-S517 WeakPolarHBondContact CG-O 3.49Å; L231-S517 PolarHBondContact N-O 3.38Å
518	R	89.5	Confident	95.6	Very high	26 Å²	26	11.5 Å²	11.5	10%	0.098	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.9	-2.5	-172.6	-69.8	-164.4	-71.6	-160	-6.8	116.3	T229 H516 V669 G670 D672	T229-R518 VanDerWaalsContact O-CD 3.25Å; T229-R518 WeakPolarHBondContact O-CD 3.28Å; T229-R518 VanDerWaalsContact O-CG 3.32Å; T229-R518 WeakPolarHBondContact O-CG 3.43Å; T229-R518 WeakPolarHBondContact OG1-CD 3.3Å; T229-R518 PolarHBondContact OG1-NH1 2.85Å; H516-R518 PolarHBondContact O-N 2.82Å; R518-V669 PolarHBondContact NH2-O 2.98Å; R518-G670 PolarHBondContact NE-O 3.17Å; R518-G670 VanDerWaalsContact NE-O 3.08Å; R518-G670 PolarHBondContact NH2-O 3.12Å; R518-D672 IonicContact CZ-OD1 3.57Å; R518-D672 IonicContact CZ-OD2 3.59Å; R518-D672 VanDerWaalsContact CZ-OD2 3.31Å; R518-D672 VanDerWaalsContact NH1-CG 3.31Å; R518-D672 IonicContact NH1-OD1 2.7Å; R518-D672 PolarHBondContact NH1-OD1 2.85Å; R518-D672 IonicContact NH1-OD2 2.63Å; R518-D672 PolarHBondContact NH1-OD2 2.9Å; R518-D672 IonicContact NH2-OD1 3.77Å; R518-D672 PolarHBondContact NH2-OD1 2.97Å; R518-D672 IonicContact NH2-OD2 2.66Å; R518-D672 PolarHBondContact NH2-OD2 2.82Å; R518-D672 VanDerWaalsContact NH2-OD2 3.16Å
519	K	92.1	Very high	95	Very high	44 Å²	44	12.1 Å²	12.1	19%	0.191	6%	0.057	C	C	.	.			trans	-131.8	141.1	178	-70.9	171.7	-175.7	171.6	0	108.1	H516 F523 Y525 T588 S667	H516-K519 VanDerWaalsContact CE1-CD 3.46Å; H516-K519 WeakPolarHBondContact CE1-CD 3.33Å; H516-K519 VanDerWaalsContact CE1-CG 3.46Å; H516-K519 WeakPolarHBondContact CE1-CG 3.42Å; H516-K519 WeakPolarHBondContact ND1-CB 3.36Å; H516-K519 PolarHBondContact ND1-N 3.38Å; H516-K519 VanDerWaalsContact ND1-N 3.15Å; K519-F523 HydrophobicContact CB-CE1 3.65Å; K519-F523 HydrophobicContact CB-CZ 3.97Å; K519-F523 HydrophobicContact CD-CE1 3.98Å; K519-F523 HydrophobicContact CD-CE2 4.12Å; K519-F523 HydrophobicContact CD-CZ 3.54Å; K519-F523 HydrophobicContact CG-CE1 4.43Å; K519-F523 HydrophobicContact CG-CZ 4.34Å; K519-Y525 PolarHBondContact NZ-OH 3.23Å; K519-T588 VanDerWaalsContact O-CB 3.24Å; K519-T588 WeakPolarHBondContact O-CB 3.46Å; K519-T588 PolarHBondContact O-OG1 3.05Å; K519-S667 PolarHBondContact NZ-O 2.72Å
520	Q	94.3	Very high	94	Very high	26 Å²	26	19.8 Å²	19.8	12%	0.121	9%	0.093	C	C	.	.			trans	-88.8	158.9	175.3	-74.4	167.4	-23.6	0	0	110.9	L231 Q234 K557 G591 A593	L231-Q520 HydrophobicContact CD2-CG 3.68Å; Q234-Q520 PolarHBondContact O-NE2 3.1Å; Q520-K557 WeakPolarHBondContact O-CD 3.48Å; Q520-K557 PolarHBondContact O-NZ 3.05Å; Q520-G591 CarbonylContact C-O 3.58Å; Q520-G591 VanDerWaalsContact CA-O 3.32Å; Q520-G591 WeakPolarHBondContact CA-O 3.46Å; Q520-G591 WeakPolarHBondContact CB-O 3.16Å; Q520-A593 VanDerWaalsContact OE1-CB 3.28Å
521	Q	95.4	Very high	93.2	Very high	23 Å²	23	22.5 Å²	22.5	11%	0.107	11%	0.11	C	C	.	.	S	Bend	trans	60.1	177	-167.9	-60.5	175.1	-68.1	0	0	113.5	N554 T588 G591 T592 F603	Q521-N554 HydrophobicContact CB-CB 4.16Å; Q521-N554 PolarHBondContact OE1-ND2 3.21Å; Q521-T588 WeakPolarHBondContact O-CB 3.45Å; Q521-G591 PolarHBondContact N-O 2.99Å; Q521-T592 WeakPolarHBondContact CG-OG1 3.01Å; Q521-F603 HydrophobicContact CG-CZ 4.3Å
522	M	97.8	Very high	92.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-100.8	147.8	176	-41.1	-161.4	-155.6	0	0	110.5	M427 L552 F553 N554 E586 A587 F603 F608 M611	M427-M522 HydrophobicContact SD-SD 4.02Å; M522-L552 HydrophobicContact CE-CB 4.24Å; M522-L552 HydrophobicContact CE-CD1 4.02Å; M522-L552 PolarHBondContact N-O 3.31Å; M522-F553 HydrophobicContact CB-CD2 4.31Å; M522-F553 WeakPolarHBondContact O-CA 3.34Å; M522-N554 PolarHBondContact O-N 2.88Å; M522-E586 VanDerWaalsContact CA-O 3.28Å; M522-E586 WeakPolarHBondContact CA-O 3.49Å; M522-A587 HydrophobicContact CG-CB 4Å; M522-A587 HydrophobicContact SD-CB 3.58Å; M522-A587 VanDerWaalsContact SD-CB 3.58Å; M522-F603 HydrophobicContact CE-CD2 3.66Å; M522-F603 HydrophobicContact CE-CE2 3.85Å; M522-F603 HydrophobicContact CG-CD2 4.49Å; M522-F603 HydrophobicContact CG-CE2 4Å; M522-F608 HydrophobicContact CE-CD1 3.49Å; M522-F608 VanDerWaalsContact CE-CD1 3.49Å; M522-F608 HydrophobicContact CE-CE1 3.9Å; M522-F608 HydrophobicContact CE-CG 4.48Å; M522-F608 HydrophobicContact SD-CD1 4.17Å; M522-M611 HydrophobicContact CB-CE 4.2Å; M522-M611 HydrophobicContact CE-CB 4.04Å; M522-M611 HydrophobicContact CE-CE 4.19Å; M522-M611 HydrophobicContact CE-CG 4.49Å; M522-M611 HydrophobicContact CG-CE 4.17Å; M522-M611 HydrophobicContact SD-CB 3.76Å; M522-M611 HydrophobicContact SD-CE 3.73Å; M522-M611 HydrophobicContact SD-CG 3.58Å; M522-M611 VanDerWaalsContact SD-CG 3.58Å; M522-M611 HydrophobicContact SD-SD 4.29Å
523	F	97.6	Very high	91.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	165.6	-177.9	57	-84	0	0	0	111.1	H516 K519 Y525 K557 E586	H516-F523 HydrophobicContact CB-CE1 4.3Å; H516-F523 HydrophobicContact CB-CZ 4.02Å; H516-F523 AromaticContact CD2-CZ 3.84Å; H516-F523 AromaticContact CG-CZ 3.75Å; K519-F523 HydrophobicContact CB-CE1 3.65Å; K519-F523 HydrophobicContact CB-CZ 3.97Å; K519-F523 HydrophobicContact CD-CE1 3.98Å; K519-F523 HydrophobicContact CD-CE2 4.12Å; K519-F523 HydrophobicContact CD-CZ 3.54Å; K519-F523 HydrophobicContact CG-CE1 4.43Å; K519-F523 HydrophobicContact CG-CZ 4.34Å; F523-Y525 HydrophobicContact CE2-CD2 4.42Å; F523-Y525 HydrophobicContact CE2-CE1 4.43Å; F523-Y525 AromaticContact CE2-CE2 3.86Å; F523-Y525 HydrophobicContact CE2-CE2 3.86Å; F523-Y525 AromaticContact CE2-CZ 3.83Å; F523-K557 HydrophobicContact CB-CB 3.71Å; F523-K557 HydrophobicContact CD1-CB 4.08Å; F523-K557 HydrophobicContact CD1-CD 4.48Å; F523-K557 HydrophobicContact CD2-CB 4.43Å; F523-K557 WeakPolarHBondContact CD2-O 3.46Å; F523-K557 HydrophobicContact CG-CB 3.8Å; F523-E586 HydrophobicContact CD2-CB 4.16Å; F523-E586 HydrophobicContact CE1-CB 4.07Å; F523-E586 HydrophobicContact CE2-CB 3.69Å; F523-E586 HydrophobicContact CE2-CG 4.06Å; F523-E586 HydrophobicContact CZ-CB 3.62Å; F523-E586 HydrophobicContact CZ-CG 4.26Å; F523-E586 PolarHBondContact N-O 3.07Å; F523-E586 VanDerWaalsContact N-O 3.11Å; F523-E586 PolarHBondContact O-N 3.03Å
524	I	97.6	Very high	90.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.6	-179.3	-79.6	167.6	0	0	0	111.6	P542 L545 F553 C558 K559 Y583 T584 L585	I524-P542 HydrophobicContact CB-CB 4.33Å; I524-P542 HydrophobicContact CB-CG 4.24Å; I524-P542 HydrophobicContact CD1-CB 4.11Å; I524-P542 HydrophobicContact CD1-CG 3.89Å; I524-P542 HydrophobicContact CG2-CG 3.91Å; I524-L545 HydrophobicContact CD1-CD2 4.24Å; I524-F553 HydrophobicContact CB-CZ 4.12Å; I524-F553 HydrophobicContact CD1-CE2 4.04Å; I524-F553 HydrophobicContact CD1-CZ 3.95Å; I524-F553 HydrophobicContact CG1-CE2 3.9Å; I524-F553 HydrophobicContact CG1-CZ 3.92Å; I524-C558 PolarHBondContact N-SG 2.85Å; I524-C558 WeakPolarHBondContact O-CA 3.36Å; I524-C558 VanDerWaalsContact O-CB 3.27Å; I524-C558 WeakPolarHBondContact O-CB 3.43Å; I524-K559 PolarHBondContact O-N 3.25Å; I524-K559 VanDerWaalsContact O-N 3.12Å; I524-Y583 HydrophobicContact CD1-CG 4.45Å; I524-Y583 HydrophobicContact CG2-CD1 3.44Å; I524-Y583 VanDerWaalsContact CG2-CD1 3.44Å; I524-Y583 HydrophobicContact CG2-CE1 4.15Å; I524-Y583 HydrophobicContact CG2-CG 3.83Å; I524-T584 WeakPolarHBondContact CA-O 3.37Å; I524-L585 HydrophobicContact CD1-CD1 4.43Å; I524-L585 HydrophobicContact CG1-CB 4.3Å; I524-L585 HydrophobicContact CG1-CD1 3.86Å
525	Y	96.2	Very high	89.7	Confident	7 Å²	7	41.3 Å²	41.3	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.8	152.4	-65.6	-67.8	0	0	0	108.7	H516 K519 F523 K559 R571 Y583 T584 E586 D668	H516-Y525 PolarHBondContact NE2-OH 3.25Å; K519-Y525 PolarHBondContact NZ-OH 3.23Å; F523-Y525 HydrophobicContact CE2-CD2 4.42Å; F523-Y525 HydrophobicContact CE2-CE1 4.43Å; F523-Y525 AromaticContact CE2-CE2 3.86Å; F523-Y525 HydrophobicContact CE2-CE2 3.86Å; F523-Y525 AromaticContact CE2-CZ 3.83Å; Y525-K559 CarbonylContact C-O 3.54Å; Y525-K559 WeakPolarHBondContact CA-O 3.24Å; Y525-K559 HydrophobicContact CD1-CB 3.76Å; Y525-K559 HydrophobicContact CE1-CB 3.92Å; Y525-K559 HydrophobicContact CE1-CG 4.29Å; Y525-R571 VanDerWaalsContact CB-CZ 3.49Å; Y525-R571 WeakPolarHBondContact O-CD 3.31Å; Y525-Y583 WeakPolarHBondContact O-CA 3.32Å; Y525-T584 PolarHBondContact N-O 3.01Å; Y525-T584 PolarHBondContact O-N 3.04Å; Y525-E586 HydrophobicContact CD2-CG 3.64Å; Y525-E586 HydrophobicContact CE2-CG 3.69Å; Y525-E586 WeakPolarHBondContact CE2-OE1 3.43Å; Y525-D668 HydrophobicContact CE1-CB 4.02Å; Y525-D668 PolarHBondContact OH-OD1 3.32Å
526	G	95.9	Very high	89.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.			trans	-116	-158.5	176	0	0	0	0	0	112.8	K559 R571	G526-K559 PolarHBondContact N-O 3.34Å; G526-R571 PolarHBondContact O-NE 2.83Å
527	C	94.3	Very high	89.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.			trans	-129.7	133.1	169.9	-71.7	0	0	0	0	110.2	S538 F560 V562 W575	C527-S538 PolarHBondContact O-OG 2.68Å; C527-F560 CarbonylContact C-O 3.56Å; C527-V562 HydrophobicContact CB-CG2 4.4Å; C527-W575 HydrophobicContact CB-CB 4.24Å; C527-W575 HydrophobicContact CB-CD2 3.54Å; C527-W575 HydrophobicContact CB-CE3 4.14Å; C527-W575 HydrophobicContact CB-CG 3.55Å; C527-W575 HydrophobicContact CB-CZ2 4.36Å
528	K	89.7	Confident	89.4	Confident	85 Å²	85	46.7 Å²	46.7	37%	0.37	22%	0.223	S	C	.	.			trans	-67.7	137.5	173.3	169.2	171.2	170.3	173	0	110.1	F560 W575 D661	K528-F560 HydrophobicContact CB-CB 4.43Å; K528-F560 WeakPolarHBondContact CB-O 3.27Å; K528-F560 PolarHBondContact N-O 2.82Å; K528-W575 WeakPolarHBondContact O-CZ2 3.18Å; K528-D661 IonicContact NZ-OD2 3.3Å; K528-D661 PolarHBondContact NZ-OD2 3.01Å
529	S	84.6	Confident	89.7	Confident	24 Å²	24	48.5 Å²	48.5	17%	0.168	23%	0.23	C	C	.	.			trans	-57.1	146.8	172.5	-178	0	0	0	0	112.1	T531 K534	S529-T531 WeakPolarHBondContact CB-O 2.89Å; S529-T531 PolarHBondContact OG-N 2.86Å; S529-T531 PolarHBondContact OG-O 3.33Å; S529-K534 WeakPolarHBondContact CB-O 3.19Å; S529-K534 VanDerWaalsContact OG-CB 3.25Å; S529-K534 WeakPolarHBondContact OG-CB 3.45Å
530	Q	76.6	Confident	89.9	Confident	160 Å²	160	46.4 Å²	46.4	75%	0.748	22%	0.221	S	C	*	.	S	Bend	trans	-77.1	-23	171	-58.6	-179.2	20.3	0	0	112.3	W575	Q530-W575 HydrophobicContact CG-CH2 3.89Å; Q530-W575 HydrophobicContact CG-CZ2 3.8Å
531	T	81.4	Confident	90	Very high	58 Å²	58	45.1 Å²	45.1	36%	0.356	22%	0.215	S	C	.	.	S	Bend	trans	-115.7	146	-179.6	82.1	0	0	0	0	112.6	S529 E533 K534 Q535	S529-T531 WeakPolarHBondContact CB-O 2.89Å; S529-T531 PolarHBondContact OG-N 2.86Å; S529-T531 PolarHBondContact OG-O 3.33Å; T531-E533 WeakPolarHBondContact CB-OE2 3.46Å; T531-E533 PolarHBondContact O-N 3.49Å; T531-E533 PolarHBondContact OG1-OE2 3.45Å; T531-K534 PolarHBondContact O-N 2.66Å; T531-Q535 PolarHBondContact O-N 3.5Å
532	P	78.2	Confident	90.1	Very high	90 Å²	90	44 Å²	44	58%	0.584	21%	0.21	S	C	*	.	S	Bend	trans	-62.2	-36.6	-178.5	-24.9	34.8	0	0	0	115	K534 Q535	P532-K534 VanDerWaalsContact C-N 3.25Å; P532-K534 PolarHBondContact O-N 3.42Å; P532-Q535 VanDerWaalsContact O-CB 3.29Å; P532-Q535 WeakPolarHBondContact O-CB 3.27Å; P532-Q535 WeakPolarHBondContact O-CG 3.17Å; P532-Q535 PolarHBondContact O-N 2.89Å; P532-Q535 PolarHBondContact O-NE2 3.35Å
533	E	75.8	Confident	90.1	Very high	133 Å²	133	44 Å²	44	62%	0.621	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-36.7	-179.3	-35.8	67.2	-131.1	0	0	110.3	T531	T531-E533 WeakPolarHBondContact CB-OE2 3.46Å; T531-E533 PolarHBondContact O-N 3.49Å; T531-E533 PolarHBondContact OG1-OE2 3.45Å
534	K	83.3	Confident	90.1	Very high	126 Å²	126	44.3 Å²	44.3	55%	0.548	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	2.1	-179.6	-69.8	-177.6	179.6	-177.4	0	114.3	S529 T531 P532 Y536 Y537	S529-K534 WeakPolarHBondContact CB-O 3.19Å; S529-K534 VanDerWaalsContact OG-CB 3.25Å; S529-K534 WeakPolarHBondContact OG-CB 3.45Å; T531-K534 PolarHBondContact O-N 2.66Å; P532-K534 VanDerWaalsContact C-N 3.25Å; P532-K534 PolarHBondContact O-N 3.42Å; K534-Y536 PolarHBondContact O-N 2.94Å; K534-Y537 HydrophobicContact CB-CD2 4.25Å; K534-Y537 HydrophobicContact CG-CD2 4.35Å; K534-Y537 HydrophobicContact CG-CE2 4.48Å; K534-Y537 PolarHBondContact O-N 3.33Å; K534-Y537 VanDerWaalsContact O-N 3.09Å
535	Q	84.7	Confident	90.1	Very high	55 Å²	55	44.3 Å²	44.3	26%	0.257	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.8	-171.7	76.9	-172.7	-72.7	0	0	116.1	T531 P532	T531-Q535 PolarHBondContact O-N 3.5Å; P532-Q535 VanDerWaalsContact O-CB 3.29Å; P532-Q535 WeakPolarHBondContact O-CB 3.27Å; P532-Q535 WeakPolarHBondContact O-CG 3.17Å; P532-Q535 PolarHBondContact O-N 2.89Å; P532-Q535 PolarHBondContact O-NE2 3.35Å
536	Y	89.9	Confident	90.1	Very high	26 Å²	26	44.6 Å²	44.6	10%	0.102	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-18.4	-178.7	-57.9	-68.5	0	0	0	114.2	K534 S538 R539 I540 M634 L637 K638 F641	K534-Y536 PolarHBondContact O-N 2.94Å; Y536-S538 PolarHBondContact O-N 2.82Å; Y536-R539 WeakPolarHBondContact O-CA 3.4Å; Y536-R539 VanDerWaalsContact O-CB 3.27Å; Y536-R539 WeakPolarHBondContact O-CB 3.32Å; Y536-R539 PolarHBondContact O-N 2.8Å; Y536-I540 PolarHBondContact O-N 3.2Å; Y536-M634 VanDerWaalsContact CB-SD 3.58Å; Y536-M634 HydrophobicContact CD2-SD 4.05Å; Y536-M634 HydrophobicContact CG-SD 4.13Å; Y536-L637 HydrophobicContact CD1-CB 3.96Å; Y536-K638 HydrophobicContact CD2-CG 4.01Å; Y536-K638 HydrophobicContact CE2-CG 3.68Å; Y536-F641 HydrophobicContact CE1-CB 4.01Å; Y536-F641 HydrophobicContact CE1-CG 4.31Å; Y536-F641 WeakPolarHBondContact OH-CD1 3.28Å
537	Y	90.7	Very high	90.1	Very high	93 Å²	93	49.9 Å²	49.9	37%	0.365	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-47.5	-167.3	-78.2	-105.6	0	0	0	112.6	K534 R539 I540 M634	K534-Y537 HydrophobicContact CB-CD2 4.25Å; K534-Y537 HydrophobicContact CG-CD2 4.35Å; K534-Y537 HydrophobicContact CG-CE2 4.48Å; K534-Y537 PolarHBondContact O-N 3.33Å; K534-Y537 VanDerWaalsContact O-N 3.09Å; Y537-R539 PolarHBondContact O-N 2.83Å; Y537-I540 HydrophobicContact CD1-CD1 4.29Å; Y537-I540 HydrophobicContact CG-CD1 4.44Å; Y537-I540 PolarHBondContact O-N 3.36Å; Y537-I540 VanDerWaalsContact O-N 3.11Å; Y537-M634 HydrophobicContact CD1-CE 4.35Å; Y537-M634 HydrophobicContact CD2-CE 3.74Å; Y537-M634 HydrophobicContact CE1-CE 4.11Å; Y537-M634 HydrophobicContact CE2-CE 3.48Å; Y537-M634 VanDerWaalsContact CE2-CE 3.48Å; Y537-M634 HydrophobicContact CG-CE 4.2Å
538	S	92.7	Very high	90.1	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.028	25%	0.251	C	S	.	.	H	α-helix	trans	-66.8	-6.1	175.4	62.9	0	0	0	0	113.9	C527 Y536 F560 Y583	C527-S538 PolarHBondContact O-OG 2.68Å; Y536-S538 PolarHBondContact O-N 2.82Å; S538-F560 WeakPolarHBondContact O-CE1 3.24Å; S538-Y583 VanDerWaalsContact O-CE1 3.25Å; S538-Y583 WeakPolarHBondContact O-CE1 3.15Å; S538-Y583 PolarHBondContact O-OH 2.71Å
539	R	95.6	Very high	90.4	Very high	64 Å²	64	48.3 Å²	48.3	24%	0.242	23%	0.233	C	C	.	.	H	α-helix	trans	-97.6	-14.8	175.2	-58.3	173.7	173	-90.6	6.9	113.6	Y536 Y537 A543 Y555 F560 L637	Y536-R539 WeakPolarHBondContact O-CA 3.4Å; Y536-R539 VanDerWaalsContact O-CB 3.27Å; Y536-R539 WeakPolarHBondContact O-CB 3.32Å; Y536-R539 PolarHBondContact O-N 2.8Å; Y537-R539 PolarHBondContact O-N 2.83Å; R539-A543 VanDerWaalsContact O-CB 3.3Å; R539-A543 WeakPolarHBondContact O-CB 3.34Å; R539-A543 PolarHBondContact O-N 3.44Å; R539-A543 VanDerWaalsContact O-N 3.1Å; R539-Y555 HydrophobicContact CB-CE2 4.49Å; R539-Y555 PolarHBondContact NH1-OH 2.78Å; R539-F560 HydrophobicContact CB-CE1 4.47Å; R539-F560 HydrophobicContact CB-CZ 4.26Å; R539-F560 HydrophobicContact CG-CD1 4.09Å; R539-F560 HydrophobicContact CG-CD2 4.29Å; R539-F560 HydrophobicContact CG-CE1 3.84Å; R539-F560 HydrophobicContact CG-CE2 4.04Å; R539-F560 HydrophobicContact CG-CG 4.32Å; R539-F560 HydrophobicContact CG-CZ 3.82Å; R539-L637 HydrophobicContact CB-CD1 3.9Å; R539-L637 HydrophobicContact CB-CD2 4.26Å
540	I	95.4	Very high	90.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-54.5	-175.7	-61.1	171.9	0	0	0	111	Y536 Y537 A543 M544 Y622 M630 I633 M634 L637	Y536-I540 PolarHBondContact O-N 3.2Å; Y537-I540 HydrophobicContact CD1-CD1 4.29Å; Y537-I540 HydrophobicContact CG-CD1 4.44Å; Y537-I540 PolarHBondContact O-N 3.36Å; Y537-I540 VanDerWaalsContact O-N 3.11Å; I540-A543 CarbonylContact O-C 3.57Å; I540-A543 WeakPolarHBondContact O-CA 3.38Å; I540-A543 WeakPolarHBondContact O-CB 3.49Å; I540-A543 PolarHBondContact O-N 2.8Å; I540-M544 HydrophobicContact CG2-CE 4.26Å; I540-M544 HydrophobicContact CG2-CG 4.38Å; I540-M544 HydrophobicContact CG2-SD 3.84Å; I540-M544 PolarHBondContact O-N 3.21Å; I540-Y622 HydrophobicContact CB-CE2 4.17Å; I540-Y622 HydrophobicContact CG2-CD2 4.12Å; I540-Y622 HydrophobicContact CG2-CE2 3.92Å; I540-M630 HydrophobicContact CD1-CG 3.94Å; I540-M630 HydrophobicContact CD1-SD 4.28Å; I540-M630 HydrophobicContact CG2-CG 3.8Å; I540-I633 HydrophobicContact CB-CG2 4.4Å; I540-I633 HydrophobicContact CG2-CB 4.34Å; I540-I633 HydrophobicContact CG2-CG2 3.87Å; I540-M634 HydrophobicContact CD1-CE 3.77Å; I540-L637 HydrophobicContact CG1-CD1 4.15Å
541	F	96.9	Very high	91.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-46.1	-177.1	-179	-83.9	0	0	0	112.9	A543 M544 L545 Y583 F615 T618 L619 Y622	F541-A543 VanDerWaalsContact C-N 3.26Å; F541-A543 PolarHBondContact O-N 3.11Å; F541-M544 PolarHBondContact O-N 2.95Å; F541-L545 PolarHBondContact O-N 3.38Å; F541-Y583 HydrophobicContact CB-CE2 4.22Å; F541-Y583 HydrophobicContact CD1-CD2 4.38Å; F541-Y583 AromaticContact CD1-CE2 3.82Å; F541-Y583 HydrophobicContact CD1-CE2 3.82Å; F541-Y583 HydrophobicContact CG-CE2 4.28Å; F541-F615 AromaticContact CE1-CD2 3.89Å; F541-F615 HydrophobicContact CE1-CD2 3.89Å; F541-F615 HydrophobicContact CE1-CE1 4.49Å; F541-F615 AromaticContact CE1-CE2 3.52Å; F541-F615 HydrophobicContact CE1-CE2 3.52Å; F541-F615 AromaticContact CE1-CZ 3.86Å; F541-F615 HydrophobicContact CE1-CZ 3.86Å; F541-F615 HydrophobicContact CZ-CD1 4.14Å; F541-F615 AromaticContact CZ-CD2 3.93Å; F541-F615 HydrophobicContact CZ-CD2 3.93Å; F541-F615 AromaticContact CZ-CE1 3.99Å; F541-F615 HydrophobicContact CZ-CE1 3.99Å; F541-F615 AromaticContact CZ-CE2 3.79Å; F541-F615 HydrophobicContact CZ-CE2 3.79Å; F541-F615 HydrophobicContact CZ-CG 4.12Å; F541-F615 AromaticContact CZ-CZ 3.81Å; F541-F615 HydrophobicContact CZ-CZ 3.81Å; F541-T618 HydrophobicContact CD2-CG2 3.8Å; F541-T618 HydrophobicContact CE1-CG2 4.37Å; F541-T618 HydrophobicContact CE2-CG2 3.55Å; F541-T618 HydrophobicContact CG-CG2 4.31Å; F541-T618 HydrophobicContact CZ-CG2 3.86Å; F541-L619 HydrophobicContact CD2-CD2 4.48Å; F541-L619 HydrophobicContact CE2-CD2 3.73Å; F541-L619 HydrophobicContact CE2-CG 3.84Å; F541-L619 HydrophobicContact CZ-CD2 4.36Å; F541-L619 HydrophobicContact CZ-CG 4.25Å; F541-Y622 HydrophobicContact CB-CD2 4.2Å; F541-Y622 HydrophobicContact CB-CE2 4.3Å; F541-Y622 HydrophobicContact CD2-CD2 4.34Å; F541-Y622 HydrophobicContact CD2-CG 4.09Å
542	P	97.7	Very high	92.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-30.3	171	-25.9	35.1	0	0	0	114.3	I524 S546 F553 Y555 F560 Y583	I524-P542 HydrophobicContact CB-CB 4.33Å; I524-P542 HydrophobicContact CB-CG 4.24Å; I524-P542 HydrophobicContact CD1-CB 4.11Å; I524-P542 HydrophobicContact CD1-CG 3.89Å; I524-P542 HydrophobicContact CG2-CG 3.91Å; P542-S546 PolarHBondContact O-N 3.39Å; P542-F553 HydrophobicContact CB-CZ 4.31Å; P542-F553 VanDerWaalsContact O-CE1 3.24Å; P542-F553 WeakPolarHBondContact O-CE1 3.44Å; P542-Y555 HydrophobicContact CB-CD2 4.13Å; P542-Y555 HydrophobicContact CB-CE2 4.24Å; P542-F560 HydrophobicContact CB-CZ 4.46Å; P542-F560 HydrophobicContact CG-CZ 4.21Å; P542-Y583 WeakPolarHBondContact CD-OH 3.39Å; P542-Y583 HydrophobicContact CG-CD1 4.48Å; P542-Y583 HydrophobicContact CG-CE1 3.9Å
543	A	97.5	Very high	93.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-75.1	-39	176.1	0	0	0	0	0	112.1	R539 I540 F541 S546 K547 Y555 I633 L637	R539-A543 VanDerWaalsContact O-CB 3.3Å; R539-A543 WeakPolarHBondContact O-CB 3.34Å; R539-A543 PolarHBondContact O-N 3.44Å; R539-A543 VanDerWaalsContact O-N 3.1Å; I540-A543 CarbonylContact O-C 3.57Å; I540-A543 WeakPolarHBondContact O-CA 3.38Å; I540-A543 WeakPolarHBondContact O-CB 3.49Å; I540-A543 PolarHBondContact O-N 2.8Å; F541-A543 VanDerWaalsContact C-N 3.26Å; F541-A543 PolarHBondContact O-N 3.11Å; A543-S546 PolarHBondContact O-N 3.05Å; A543-S546 PolarHBondContact O-OG 2.86Å; A543-K547 PolarHBondContact O-N 2.85Å; A543-Y555 HydrophobicContact CB-CD2 4.1Å; A543-Y555 HydrophobicContact CB-CE2 4.08Å; A543-I633 HydrophobicContact CB-CG2 3.64Å; A543-L637 HydrophobicContact CB-CD1 4.24Å; A543-L637 HydrophobicContact CB-CD2 4.15Å; A543-L637 HydrophobicContact CB-CG 4.37Å
544	M	97	Very high	94.2	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-48.3	170.5	-72	168.1	145.8	0	0	111.5	I540 F541 S546 K547 N548 T618 D621 Y622 K629 M630 I633	I540-M544 HydrophobicContact CG2-CE 4.26Å; I540-M544 HydrophobicContact CG2-CG 4.38Å; I540-M544 HydrophobicContact CG2-SD 3.84Å; I540-M544 PolarHBondContact O-N 3.21Å; F541-M544 PolarHBondContact O-N 2.95Å; M544-S546 PolarHBondContact O-N 3.25Å; M544-S546 VanDerWaalsContact O-N 3.15Å; M544-K547 WeakPolarHBondContact O-CA 3.46Å; M544-K547 WeakPolarHBondContact O-CB 3.22Å; M544-K547 PolarHBondContact O-N 3.12Å; M544-N548 PolarHBondContact O-N 2.94Å; M544-N548 PolarHBondContact O-OD1 3.37Å; M544-T618 HydrophobicContact CB-CG2 3.63Å; M544-D621 WeakPolarHBondContact CE-O 3.5Å; M544-Y622 HydrophobicContact SD-CD2 3.77Å; M544-Y622 HydrophobicContact SD-CG 4.45Å; M544-K629 HydrophobicContact CE-CB 3.8Å; M544-M630 HydrophobicContact CE-CB 4.27Å; M544-I633 HydrophobicContact CE-CG1 4.49Å; M544-I633 HydrophobicContact CG-CB 4.37Å; M544-I633 HydrophobicContact CG-CD1 4.38Å; M544-I633 HydrophobicContact CG-CG1 3.79Å; M544-I633 HydrophobicContact CG-CG2 4.28Å
545	L	97.4	Very high	94.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.1	-35.8	177	-172	58.8	0	0	0	111.8	I524 F541 K547 N548 I549 F553 M611 T618	I524-L545 HydrophobicContact CD1-CD2 4.24Å; F541-L545 PolarHBondContact O-N 3.38Å; L545-K547 VanDerWaalsContact C-N 3.29Å; L545-K547 PolarHBondContact O-N 3.05Å; L545-N548 PolarHBondContact O-N 2.92Å; L545-I549 HydrophobicContact CD1-CG2 3.89Å; L545-I549 HydrophobicContact CG-CG2 4.4Å; L545-I549 PolarHBondContact O-N 3.15Å; L545-F553 HydrophobicContact CB-CD1 4.48Å; L545-F553 HydrophobicContact CD2-CD2 3.59Å; L545-F553 HydrophobicContact CD2-CE2 3.57Å; L545-F553 HydrophobicContact CD2-CG 4.16Å; L545-F553 HydrophobicContact CD2-CZ 4.11Å; L545-F553 HydrophobicContact CG-CB 4.42Å; L545-F553 HydrophobicContact CG-CD1 4.37Å; L545-F553 HydrophobicContact CG-CD2 3.91Å; L545-F553 HydrophobicContact CG-CE2 4.25Å; L545-F553 HydrophobicContact CG-CG 3.97Å; L545-M611 HydrophobicContact CD1-SD 4.23Å; L545-M611 HydrophobicContact CD2-SD 4.21Å; L545-M611 HydrophobicContact CG-SD 4.43Å; L545-T618 HydrophobicContact CB-CG2 4.06Å; L545-T618 WeakPolarHBondContact CD1-OG1 3.35Å
546	S	96.8	Very high	95.2	Very high	14 Å²	14	31.6 Å²	31.6	10%	0.098	15%	0.153	C	C	.	.	H	α-helix	trans	-72.4	-12.8	174.6	82.4	0	0	0	0	115.7	P542 A543 M544 P550	P542-S546 PolarHBondContact O-N 3.39Å; A543-S546 PolarHBondContact O-N 3.05Å; A543-S546 PolarHBondContact O-OG 2.86Å; M544-S546 PolarHBondContact O-N 3.25Å; M544-S546 VanDerWaalsContact O-N 3.15Å; S546-P550 WeakPolarHBondContact O-CB 3.33Å
547	K	95.6	Very high	95.4	Very high	111 Å²	111	33.1 Å²	33.1	48%	0.483	16%	0.16	S	C	.	.	H	α-helix	trans	-92.8	-32.6	169.6	-61.8	-46.3	-175.5	-175.5	0	111.7	A543 M544 L545 I633	A543-K547 PolarHBondContact O-N 2.85Å; M544-K547 WeakPolarHBondContact O-CA 3.46Å; M544-K547 WeakPolarHBondContact O-CB 3.22Å; M544-K547 PolarHBondContact O-N 3.12Å; L545-K547 VanDerWaalsContact C-N 3.29Å; L545-K547 PolarHBondContact O-N 3.05Å; K547-I633 HydrophobicContact CG-CD1 3.98Å
548	N	95.4	Very high	95.7	Very high	51 Å²	51	29 Å²	29	27%	0.273	15%	0.145	S	C	.	.	H	α-helix	trans	-82.1	-29.6	-175.5	-65.5	10.6	0	0	0	112.5	M544 L545 T618 D621	M544-N548 PolarHBondContact O-N 2.94Å; M544-N548 PolarHBondContact O-OD1 3.37Å; L545-N548 PolarHBondContact O-N 2.92Å; N548-T618 PolarHBondContact ND2-OG1 2.88Å; N548-D621 PolarHBondContact ND2-OD2 2.97Å
549	I	96.3	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-142.8	62.2	176.8	-164.3	169.8	0	0	0	113.1	L545 E551 L552 F553 K610 M611 H614	L545-I549 HydrophobicContact CD1-CG2 3.89Å; L545-I549 HydrophobicContact CG-CG2 4.4Å; L545-I549 PolarHBondContact O-N 3.15Å; I549-E551 VanDerWaalsContact C-N 3.28Å; I549-E551 VanDerWaalsContact C-OE2 3.25Å; I549-E551 WeakPolarHBondContact CG1-OE2 3.4Å; I549-E551 PolarHBondContact O-N 3.03Å; I549-L552 HydrophobicContact CD1-CB 4.13Å; I549-L552 HydrophobicContact CD1-CD1 3.59Å; I549-L552 HydrophobicContact CD1-CG 3.91Å; I549-L552 HydrophobicContact CG1-CB 4.01Å; I549-L552 HydrophobicContact CG1-CD1 4.27Å; I549-L552 HydrophobicContact CG1-CG 4.02Å; I549-L552 PolarHBondContact O-N 3.5Å; I549-F553 HydrophobicContact CG2-CB 4.11Å; I549-F553 PolarHBondContact O-N 3.13Å; I549-K610 HydrophobicContact CD1-CB 4.25Å; I549-M611 HydrophobicContact CD1-CE 4.21Å; I549-M611 HydrophobicContact CG2-CE 3.71Å; I549-M611 HydrophobicContact CG2-SD 4.12Å; I549-H614 HydrophobicContact CB-CB 4.12Å; I549-H614 HydrophobicContact CD1-CB 4.09Å; I549-H614 HydrophobicContact CG2-CB 3.95Å
550	P	93.8	Very high	95.7	Very high	79 Å²	79	28.2 Å²	28.2	51%	0.513	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.3	-171.5	27.8	-36.3	0	0	0	115.1	S546	S546-P550 WeakPolarHBondContact O-CB 3.33Å
551	E	92.1	Very high	95.4	Very high	68 Å²	68	30.3 Å²	30.3	32%	0.318	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-31.8	178.3	81.6	-73.7	-164.9	0	0	111.8	I549	I549-E551 VanDerWaalsContact C-N 3.28Å; I549-E551 VanDerWaalsContact C-OE2 3.25Å; I549-E551 WeakPolarHBondContact CG1-OE2 3.4Å; I549-E551 PolarHBondContact O-N 3.03Å
552	L	96.2	Very high	94.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-37.3	177.6	-56.9	-166	0	0	0	113.5	M522 I549 F603 D607 K610 M611	M522-L552 HydrophobicContact CE-CB 4.24Å; M522-L552 HydrophobicContact CE-CD1 4.02Å; M522-L552 PolarHBondContact N-O 3.31Å; I549-L552 HydrophobicContact CD1-CB 4.13Å; I549-L552 HydrophobicContact CD1-CD1 3.59Å; I549-L552 HydrophobicContact CD1-CG 3.91Å; I549-L552 HydrophobicContact CG1-CB 4.01Å; I549-L552 HydrophobicContact CG1-CD1 4.27Å; I549-L552 HydrophobicContact CG1-CG 4.02Å; I549-L552 PolarHBondContact O-N 3.5Å; L552-F603 HydrophobicContact CB-CE2 4.44Å; L552-F603 HydrophobicContact CB-CZ 4.38Å; L552-F603 HydrophobicContact CD2-CD1 3.96Å; L552-F603 HydrophobicContact CD2-CD2 4.4Å; L552-F603 HydrophobicContact CD2-CE1 3.54Å; L552-F603 HydrophobicContact CD2-CE2 4Å; L552-F603 HydrophobicContact CD2-CG 4.39Å; L552-F603 HydrophobicContact CD2-CZ 3.56Å; L552-D607 HydrophobicContact CD1-CB 3.96Å; L552-D607 WeakPolarHBondContact CD1-O 3.41Å; L552-D607 HydrophobicContact CD2-CB 4.16Å; L552-K610 HydrophobicContact CD1-CB 4.39Å; L552-M611 HydrophobicContact CB-CE 3.4Å; L552-M611 VanDerWaalsContact CB-CE 3.4Å; L552-M611 HydrophobicContact CD1-CE 4.25Å; L552-M611 HydrophobicContact CG-CE 4.46Å
553	F	97.3	Very high	94.3	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-105.2	136.4	-174.4	-166	-87.6	0	0	0	113.4	M522 I524 P542 L545 I549 C558 L585 M611	M522-F553 HydrophobicContact CB-CD2 4.31Å; M522-F553 WeakPolarHBondContact O-CA 3.34Å; I524-F553 HydrophobicContact CB-CZ 4.12Å; I524-F553 HydrophobicContact CD1-CE2 4.04Å; I524-F553 HydrophobicContact CD1-CZ 3.95Å; I524-F553 HydrophobicContact CG1-CE2 3.9Å; I524-F553 HydrophobicContact CG1-CZ 3.92Å; P542-F553 HydrophobicContact CB-CZ 4.31Å; P542-F553 VanDerWaalsContact O-CE1 3.24Å; P542-F553 WeakPolarHBondContact O-CE1 3.44Å; L545-F553 HydrophobicContact CB-CD1 4.48Å; L545-F553 HydrophobicContact CD2-CD2 3.59Å; L545-F553 HydrophobicContact CD2-CE2 3.57Å; L545-F553 HydrophobicContact CD2-CG 4.16Å; L545-F553 HydrophobicContact CD2-CZ 4.11Å; L545-F553 HydrophobicContact CG-CB 4.42Å; L545-F553 HydrophobicContact CG-CD1 4.37Å; L545-F553 HydrophobicContact CG-CD2 3.91Å; L545-F553 HydrophobicContact CG-CE2 4.25Å; L545-F553 HydrophobicContact CG-CG 3.97Å; I549-F553 HydrophobicContact CG2-CB 4.11Å; I549-F553 PolarHBondContact O-N 3.13Å; F553-C558 VanDerWaalsContact CZ-SG 3.53Å; F553-L585 HydrophobicContact CD2-CD1 4.18Å; F553-L585 HydrophobicContact CE2-CD1 3.72Å; F553-M611 HydrophobicContact CB-CE 4Å; F553-M611 HydrophobicContact CD2-CE 4.49Å; F553-M611 HydrophobicContact CD2-SD 4.19Å
554	N	95.6	Very high	93.7	Very high	31 Å²	31	41.9 Å²	41.9	17%	0.166	22%	0.215	C	C	.	.			trans	-125.6	111.6	-178.1	-176.5	-49.9	0	0	0	111.7	Q521 M522 D556 K557 C558	Q521-N554 HydrophobicContact CB-CB 4.16Å; Q521-N554 PolarHBondContact OE1-ND2 3.21Å; M522-N554 PolarHBondContact O-N 2.88Å; N554-D556 WeakPolarHBondContact OD1-CA 3.46Å; N554-D556 WeakPolarHBondContact OD1-CB 3.38Å; N554-D556 PolarHBondContact OD1-N 3.47Å; N554-K557 HydrophobicContact CB-CB 4.38Å; N554-K557 HydrophobicContact CB-CD 3.93Å; N554-K557 HydrophobicContact CB-CG 4.31Å; N554-K557 PolarHBondContact O-N 3.37Å; N554-K557 WeakPolarHBondContact OD1-CG 3.41Å; N554-K557 PolarHBondContact OD1-N 3.23Å; N554-C558 PolarHBondContact O-SG 3.18Å
555	Y	96	Very high	92.9	Very high	18 Å²	18	45.1 Å²	45.1	7%	0.071	23%	0.23	C	C	.	.	S	Bend	trans	-71.1	-32.4	179.7	-179.4	-100.1	0	0	0	113.6	R539 P542 A543 K557 C558 F560 L637	R539-Y555 HydrophobicContact CB-CE2 4.49Å; R539-Y555 PolarHBondContact NH1-OH 2.78Å; P542-Y555 HydrophobicContact CB-CD2 4.13Å; P542-Y555 HydrophobicContact CB-CE2 4.24Å; A543-Y555 HydrophobicContact CB-CD2 4.1Å; A543-Y555 HydrophobicContact CB-CE2 4.08Å; Y555-K557 PolarHBondContact O-N 3.04Å; Y555-C558 HydrophobicContact CD2-CB 4.33Å; Y555-C558 WeakPolarHBondContact O-CB 3.16Å; Y555-C558 PolarHBondContact O-N 3.5Å; Y555-F560 HydrophobicContact CE2-CE2 4.37Å; Y555-F560 HydrophobicContact CE2-CZ 4.41Å; Y555-L637 HydrophobicContact CE1-CD2 3.94Å; Y555-L637 HydrophobicContact CE2-CD2 4.41Å; Y555-L637 VanDerWaalsContact OH-CD2 3.24Å; Y555-L637 WeakPolarHBondContact OH-CD2 3.26Å
556	D	94.5	Very high	92.4	Very high	97 Å²	97	45.5 Å²	45.5	52%	0.519	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.7	177.6	-61.1	-79	0	0	0	113	N554 C558 R640	N554-D556 WeakPolarHBondContact OD1-CA 3.46Å; N554-D556 WeakPolarHBondContact OD1-CB 3.38Å; N554-D556 PolarHBondContact OD1-N 3.47Å; D556-C558 VanDerWaalsContact C-N 3.32Å; D556-R640 IonicContact OD1-CZ 2.73Å; D556-R640 IonicContact OD1-NH1 3.18Å; D556-R640 PolarHBondContact OD1-NH1 3.35Å; D556-R640 IonicContact OD1-NH2 2.73Å; D556-R640 PolarHBondContact OD1-NH2 3.43Å; D556-R640 IonicContact OD2-NH1 3.93Å
557	K	94.1	Very high	92.1	Very high	57 Å²	57	48 Å²	48	25%	0.248	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.3	173.8	-69.2	172.8	-172.3	165.1	0	113.4	Q520 F523 N554 Y555	Q520-K557 WeakPolarHBondContact O-CD 3.48Å; Q520-K557 PolarHBondContact O-NZ 3.05Å; F523-K557 HydrophobicContact CB-CB 3.71Å; F523-K557 HydrophobicContact CD1-CB 4.08Å; F523-K557 HydrophobicContact CD1-CD 4.48Å; F523-K557 HydrophobicContact CD2-CB 4.43Å; F523-K557 WeakPolarHBondContact CD2-O 3.46Å; F523-K557 HydrophobicContact CG-CB 3.8Å; N554-K557 HydrophobicContact CB-CB 4.38Å; N554-K557 HydrophobicContact CB-CD 3.93Å; N554-K557 HydrophobicContact CB-CG 4.31Å; N554-K557 PolarHBondContact O-N 3.37Å; N554-K557 WeakPolarHBondContact OD1-CG 3.41Å; N554-K557 PolarHBondContact OD1-N 3.23Å; Y555-K557 PolarHBondContact O-N 3.04Å
558	C	96	Very high	91.9	Very high	7 Å²	7	43.2 Å²	43.2	5%	0.047	22%	0.224	C	C	.	.			trans	-72.3	144.9	177.7	-62.3	0	0	0	0	111.8	I524 F553 N554 Y555 D556 F560	I524-C558 PolarHBondContact N-SG 2.85Å; I524-C558 WeakPolarHBondContact O-CA 3.36Å; I524-C558 VanDerWaalsContact O-CB 3.27Å; I524-C558 WeakPolarHBondContact O-CB 3.43Å; F553-C558 VanDerWaalsContact CZ-SG 3.53Å; N554-C558 PolarHBondContact O-SG 3.18Å; Y555-C558 HydrophobicContact CD2-CB 4.33Å; Y555-C558 WeakPolarHBondContact O-CB 3.16Å; Y555-C558 PolarHBondContact O-N 3.5Å; D556-C558 VanDerWaalsContact C-N 3.32Å; C558-F560 HydrophobicContact CB-CE2 3.8Å; C558-F560 HydrophobicContact CB-CZ 4.23Å
559	K	93.7	Very high	91.9	Very high	51 Å²	51	41 Å²	41	22%	0.222	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-140.9	140.3	-173.2	-65.1	-68.8	167	-163.8	0	111.4	I524 Y525 G526 D665	I524-K559 PolarHBondContact O-N 3.25Å; I524-K559 VanDerWaalsContact O-N 3.12Å; Y525-K559 CarbonylContact C-O 3.54Å; Y525-K559 WeakPolarHBondContact CA-O 3.24Å; Y525-K559 HydrophobicContact CD1-CB 3.76Å; Y525-K559 HydrophobicContact CE1-CB 3.92Å; Y525-K559 HydrophobicContact CE1-CG 4.29Å; G526-K559 PolarHBondContact N-O 3.34Å; K559-D665 HydrophobicContact CD-CB 4.02Å; K559-D665 WeakPolarHBondContact CD-OD1 3.29Å; K559-D665 WeakPolarHBondContact CD-OD2 3.45Å; K559-D665 WeakPolarHBondContact CE-OD1 3.48Å; K559-D665 IonicContact NZ-OD1 4Å; K559-D665 PolarHBondContact NZ-OD1 2.88Å
560	F	93.9	Very high	91.9	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.213	C	C	.	.			trans	-127.5	-9.8	-167.2	-64.5	-94.2	0	0	0	113.8	C527 K528 S538 R539 P542 Y555 C558 D665	C527-F560 CarbonylContact C-O 3.56Å; K528-F560 HydrophobicContact CB-CB 4.43Å; K528-F560 WeakPolarHBondContact CB-O 3.27Å; K528-F560 PolarHBondContact N-O 2.82Å; S538-F560 WeakPolarHBondContact O-CE1 3.24Å; R539-F560 HydrophobicContact CB-CE1 4.47Å; R539-F560 HydrophobicContact CB-CZ 4.26Å; R539-F560 HydrophobicContact CG-CD1 4.09Å; R539-F560 HydrophobicContact CG-CD2 4.29Å; R539-F560 HydrophobicContact CG-CE1 3.84Å; R539-F560 HydrophobicContact CG-CE2 4.04Å; R539-F560 HydrophobicContact CG-CG 4.32Å; R539-F560 HydrophobicContact CG-CZ 3.82Å; P542-F560 HydrophobicContact CB-CZ 4.46Å; P542-F560 HydrophobicContact CG-CZ 4.21Å; Y555-F560 HydrophobicContact CE2-CE2 4.37Å; Y555-F560 HydrophobicContact CE2-CZ 4.41Å; C558-F560 HydrophobicContact CB-CE2 3.8Å; C558-F560 HydrophobicContact CB-CZ 4.23Å; F560-D665 PolarHBondContact N-OD2 3.22Å; F560-D665 VanDerWaalsContact N-OD2 3.13Å
561	A	89.7	Confident	92	Very high	43 Å²	43	37.9 Å²	37.9	36%	0.355	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-60.8	140.3	169.9	0	0	0	0	0	111.7	D665	A561-D665 HydrophobicContact CB-CB 3.6Å; A561-D665 PolarHBondContact N-OD2 2.7Å
562	V	87.3	Confident	92.2	Very high	54 Å²	54	34.6 Å²	34.6	33%	0.327	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-92.8	117.4	173.8	172.5	0	0	0	0	108.3	C527 E567 I572 W575	C527-V562 HydrophobicContact CB-CG2 4.4Å; V562-E567 HydrophobicContact CG1-CG 4.44Å; V562-I572 HydrophobicContact CG1-CD1 3.88Å; V562-I572 HydrophobicContact CG1-CG1 4.21Å; V562-I572 HydrophobicContact CG1-CG2 4.02Å; V562-I572 HydrophobicContact CG2-CD1 4.49Å; V562-I572 HydrophobicContact CG2-CG1 4.29Å; V562-W575 HydrophobicContact CG2-CZ3 4.3Å
563	Q	84	Confident	92.3	Very high	35 Å²	35	34.8 Å²	34.8	16%	0.164	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-94.4	142.7	174.8	-67.3	-172.1	-11	0	0	110.9	E565 K566 E567 S666	Q563-E565 VanDerWaalsContact C-N 3.33Å; Q563-E565 PolarHBondContact O-N 3.47Å; Q563-K566 HydrophobicContact CB-CB 4.45Å; Q563-K566 HydrophobicContact CB-CG 3.69Å; Q563-K566 WeakPolarHBondContact O-CB 3.5Å; Q563-K566 PolarHBondContact O-N 3.12Å; Q563-K566 VanDerWaalsContact OE1-CE 3.29Å; Q563-E567 PolarHBondContact O-N 3.36Å; Q563-S666 PolarHBondContact NE2-O 3.38Å
564	K	84.1	Confident	92.3	Very high	155 Å²	155	34.7 Å²	34.7	67%	0.674	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-60.2	-41.4	-174.3	-174.2	178.8	-177.5	178.8	0	112.5	K566 E567	K564-K566 PolarHBondContact O-N 3.14Å; K564-E567 WeakPolarHBondContact O-CB 3.21Å; K564-E567 WeakPolarHBondContact O-CG 3.26Å; K564-E567 PolarHBondContact O-N 2.94Å
565	E	80.7	Confident	92.3	Very high	73 Å²	73	35.2 Å²	35.2	34%	0.341	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-68.8	-4.4	179.3	-57.6	61.9	-136.6	0	0	112.8	R478 Q563 N675	R478-E565 WeakPolarHBondContact CD-O 3.4Å; R478-E565 PolarHBondContact NE-O 2.64Å; R478-E565 VanDerWaalsContact NE-O 3.1Å; Q563-E565 VanDerWaalsContact C-N 3.33Å; Q563-E565 PolarHBondContact O-N 3.47Å; E565-N675 WeakPolarHBondContact CA-OD1 3.43Å; E565-N675 WeakPolarHBondContact CB-OD1 3.31Å; E565-N675 WeakPolarHBondContact CG-OD1 3.45Å
566	K	87.1	Confident	92.3	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.035	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-119.6	-0	-177.6	-37.5	-68.6	168.2	136.1	0	111.6	Q563 K564 G568 T569 I572 D668 S671	Q563-K566 HydrophobicContact CB-CB 4.45Å; Q563-K566 HydrophobicContact CB-CG 3.69Å; Q563-K566 WeakPolarHBondContact O-CB 3.5Å; Q563-K566 PolarHBondContact O-N 3.12Å; Q563-K566 VanDerWaalsContact OE1-CE 3.29Å; K564-K566 PolarHBondContact O-N 3.14Å; K566-G568 PolarHBondContact O-N 2.91Å; K566-G568 VanDerWaalsContact O-N 3.15Å; K566-T569 HydrophobicContact CB-CG2 4.1Å; K566-T569 VanDerWaalsContact O-CB 3.27Å; K566-T569 WeakPolarHBondContact O-CB 3.38Å; K566-T569 WeakPolarHBondContact O-CG2 3.46Å; K566-T569 PolarHBondContact O-N 2.75Å; K566-T569 PolarHBondContact O-OG1 2.98Å; K566-I572 HydrophobicContact CB-CD1 3.82Å; K566-I572 VanDerWaalsContact O-CD1 3.25Å; K566-I572 WeakPolarHBondContact O-CD1 3.29Å; K566-D668 WeakPolarHBondContact CE-OD2 3.25Å; K566-D668 PolarHBondContact NZ-O 3.16Å; K566-D668 IonicContact NZ-OD1 2.7Å; K566-D668 PolarHBondContact NZ-OD1 3.21Å; K566-D668 IonicContact NZ-OD2 2.86Å; K566-D668 PolarHBondContact NZ-OD2 3.18Å; K566-S671 PolarHBondContact NZ-O 2.72Å
567	E	90.1	Very high	92.4	Very high	66 Å²	66	39.4 Å²	39.4	31%	0.308	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.7	-179.5	-75.3	-172.5	-134.9	0	0	114.1	V562 Q563 K564 T569 V573 R576	V562-E567 HydrophobicContact CG1-CG 4.44Å; Q563-E567 PolarHBondContact O-N 3.36Å; K564-E567 WeakPolarHBondContact O-CB 3.21Å; K564-E567 WeakPolarHBondContact O-CG 3.26Å; K564-E567 PolarHBondContact O-N 2.94Å; E567-T569 VanDerWaalsContact C-N 3.28Å; E567-T569 PolarHBondContact O-N 2.75Å; E567-V573 WeakPolarHBondContact O-CG2 3.04Å; E567-R576 VanDerWaalsContact CD-NH2 3.31Å; E567-R576 IonicContact OE1-NH2 2.67Å; E567-R576 IonicContact OE2-CZ 2.62Å; E567-R576 IonicContact OE2-NH1 2.7Å; E567-R576 PolarHBondContact OE2-NH1 3.14Å; E567-R576 IonicContact OE2-NH2 3.81Å; E567-R576 PolarHBondContact OE2-NH2 2.65Å
568	G	92.1	Very high	92.4	Very high	11 Å²	11	39 Å²	39	11%	0.113	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	6.5	173.5	0	0	0	0	0	115.7	R478 K479 Y480 K566	R478-G568 CarbonylContact C-O 3.49Å; R478-G568 WeakPolarHBondContact CA-O 3.34Å; K479-G568 PolarHBondContact N-O 3.29Å; Y480-G568 PolarHBondContact N-O 2.97Å; Y480-G568 VanDerWaalsContact N-O 3.13Å; K566-G568 PolarHBondContact O-N 2.91Å; K566-G568 VanDerWaalsContact O-N 3.15Å
569	T	95.5	Very high	92.4	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	-79.1	154.2	178.7	57.9	0	0	0	0	112.9	N477 K566 E567 R571 I572 V573	N477-T569 WeakPolarHBondContact O-CA 3.25Å; N477-T569 VanDerWaalsContact O-CG2 3.23Å; N477-T569 WeakPolarHBondContact O-CG2 3.46Å; N477-T569 WeakPolarHBondContact OD1-CA 3.24Å; N477-T569 WeakPolarHBondContact OD1-CB 3.29Å; K566-T569 HydrophobicContact CB-CG2 4.1Å; K566-T569 VanDerWaalsContact O-CB 3.27Å; K566-T569 WeakPolarHBondContact O-CB 3.38Å; K566-T569 WeakPolarHBondContact O-CG2 3.46Å; K566-T569 PolarHBondContact O-N 2.75Å; K566-T569 PolarHBondContact O-OG1 2.98Å; E567-T569 VanDerWaalsContact C-N 3.28Å; E567-T569 PolarHBondContact O-N 2.75Å; T569-R571 VanDerWaalsContact C-N 3.29Å; T569-R571 PolarHBondContact O-N 3.46Å; T569-I572 PolarHBondContact O-N 2.69Å; T569-I572 PolarHBondContact OG1-N 2.9Å; T569-V573 WeakPolarHBondContact O-CB 3.48Å; T569-V573 WeakPolarHBondContact O-CG2 3.37Å; T569-V573 PolarHBondContact O-N 3.4Å
570	G	96.1	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.7	-46.2	176.1	0	0	0	0	0	111.3	N477 Y480 I572 V573 M574	N477-G570 PolarHBondContact OD1-N 3.33Å; Y480-G570 VanDerWaalsContact CE2-N 3.3Å; Y480-G570 VanDerWaalsContact CG-CA 3.49Å; G570-I572 PolarHBondContact O-N 3.45Å; G570-V573 PolarHBondContact O-N 3.05Å; G570-M574 WeakPolarHBondContact O-CB 3.49Å; G570-M574 VanDerWaalsContact O-CG 3.3Å; G570-M574 WeakPolarHBondContact O-CG 3.32Å; G570-M574 PolarHBondContact O-N 3.47Å
571	R	96.8	Very high	92.4	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.045	21%	0.211	C	C	.	.	H	α-helix	trans	-51.1	-60	174.9	-176.3	178.2	82.7	-107.3	8.2	112.8	Y525 G526 T569 V573 M574 W575 S582 T584	Y525-R571 VanDerWaalsContact CB-CZ 3.49Å; Y525-R571 WeakPolarHBondContact O-CD 3.31Å; G526-R571 PolarHBondContact O-NE 2.83Å; T569-R571 VanDerWaalsContact C-N 3.29Å; T569-R571 PolarHBondContact O-N 3.46Å; R571-V573 VanDerWaalsContact C-N 3.32Å; R571-V573 PolarHBondContact O-N 3.24Å; R571-M574 PolarHBondContact O-N 2.74Å; R571-W575 WeakPolarHBondContact O-CB 3.31Å; R571-W575 PolarHBondContact O-N 2.85Å; R571-S582 WeakPolarHBondContact CA-OG 3.48Å; R571-S582 WeakPolarHBondContact CG-O 3.38Å; R571-S582 PolarHBondContact O-OG 2.88Å; R571-T584 WeakPolarHBondContact CB-OG1 3.23Å; R571-T584 PolarHBondContact NH1-OG1 2.88Å
572	I	96.2	Very high	92.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72.4	-29.8	-171.9	-69.5	157.9	0	0	0	111.2	V562 K566 T569 G570 R576	V562-I572 HydrophobicContact CG1-CD1 3.88Å; V562-I572 HydrophobicContact CG1-CG1 4.21Å; V562-I572 HydrophobicContact CG1-CG2 4.02Å; V562-I572 HydrophobicContact CG2-CD1 4.49Å; V562-I572 HydrophobicContact CG2-CG1 4.29Å; K566-I572 HydrophobicContact CB-CD1 3.82Å; K566-I572 VanDerWaalsContact O-CD1 3.25Å; K566-I572 WeakPolarHBondContact O-CD1 3.29Å; T569-I572 PolarHBondContact O-N 2.69Å; T569-I572 PolarHBondContact OG1-N 2.9Å; G570-I572 PolarHBondContact O-N 3.45Å; I572-R576 WeakPolarHBondContact O-CB 3.33Å; I572-R576 VanDerWaalsContact O-CG 3.28Å; I572-R576 WeakPolarHBondContact O-CG 3.25Å; I572-R576 PolarHBondContact O-N 2.77Å; I572-R576 VanDerWaalsContact O-N 3.15Å
573	V	97	Very high	93.3	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-70.3	-51.3	172.5	176.2	0	0	0	0	111.4	T481 K495 E567 T569 G570 R571 W575 R576 E577	T481-V573 HydrophobicContact CG2-CG2 3.74Å; K495-V573 HydrophobicContact CD-CG1 4.01Å; K495-V573 VanDerWaalsContact NZ-CG1 3.32Å; E567-V573 WeakPolarHBondContact O-CG2 3.04Å; T569-V573 WeakPolarHBondContact O-CB 3.48Å; T569-V573 WeakPolarHBondContact O-CG2 3.37Å; T569-V573 PolarHBondContact O-N 3.4Å; G570-V573 PolarHBondContact O-N 3.05Å; R571-V573 VanDerWaalsContact C-N 3.32Å; R571-V573 PolarHBondContact O-N 3.24Å; V573-W575 PolarHBondContact O-N 2.94Å; V573-R576 CarbonylContact O-C 3.51Å; V573-R576 WeakPolarHBondContact O-CA 3.44Å; V573-R576 WeakPolarHBondContact O-CB 3.37Å; V573-R576 PolarHBondContact O-N 2.98Å; V573-E577 HydrophobicContact CG1-CG 4.44Å; V573-E577 WeakPolarHBondContact O-CG 3.43Å; V573-E577 PolarHBondContact O-N 2.53Å
574	M	97.7	Very high	94	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-32	179.2	-66	-39	122.2	0	0	112.8	Y480 K495 I498 Y510 G570 R571 E577 G578 I579	Y480-M574 HydrophobicContact CD1-CE 3.63Å; Y480-M574 HydrophobicContact CE1-CE 4.05Å; K495-M574 HydrophobicContact CB-CE 4.05Å; K495-M574 HydrophobicContact CD-CE 4.3Å; K495-M574 HydrophobicContact CG-CE 4.01Å; I498-M574 HydrophobicContact CB-SD 4.07Å; I498-M574 HydrophobicContact CD1-CE 4.35Å; I498-M574 HydrophobicContact CD1-CG 4.01Å; I498-M574 HydrophobicContact CD1-SD 3.69Å; I498-M574 HydrophobicContact CG1-SD 4.48Å; I498-M574 HydrophobicContact CG2-CG 4.5Å; I498-M574 HydrophobicContact CG2-SD 3.75Å; Y510-M574 HydrophobicContact CD1-CB 4.01Å; Y510-M574 HydrophobicContact CD1-CG 4.02Å; Y510-M574 HydrophobicContact CD2-CB 4.44Å; Y510-M574 HydrophobicContact CD2-CG 3.83Å; Y510-M574 HydrophobicContact CE1-CB 4.42Å; Y510-M574 HydrophobicContact CE1-CG 4.07Å; Y510-M574 HydrophobicContact CE2-CG 3.85Å; Y510-M574 HydrophobicContact CG-CB 4.03Å; Y510-M574 HydrophobicContact CG-CG 3.91Å; G570-M574 WeakPolarHBondContact O-CB 3.49Å; G570-M574 VanDerWaalsContact O-CG 3.3Å; G570-M574 WeakPolarHBondContact O-CG 3.32Å; G570-M574 PolarHBondContact O-N 3.47Å; R571-M574 PolarHBondContact O-N 2.74Å; M574-E577 PolarHBondContact O-N 2.88Å; M574-G578 PolarHBondContact O-N 2.71Å; M574-I579 HydrophobicContact CB-CD1 4.23Å; M574-I579 PolarHBondContact O-N 2.83Å
575	W	96.4	Very high	94.7	Very high	43 Å²	43	27 Å²	27	16%	0.163	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-42.4	169.8	178.8	66.4	0	0	0	112.4	C527 K528 Q530 V562 R571 V573 G578 I579	C527-W575 HydrophobicContact CB-CB 4.24Å; C527-W575 HydrophobicContact CB-CD2 3.54Å; C527-W575 HydrophobicContact CB-CE3 4.14Å; C527-W575 HydrophobicContact CB-CG 3.55Å; C527-W575 HydrophobicContact CB-CZ2 4.36Å; K528-W575 WeakPolarHBondContact O-CZ2 3.18Å; Q530-W575 HydrophobicContact CG-CH2 3.89Å; Q530-W575 HydrophobicContact CG-CZ2 3.8Å; V562-W575 HydrophobicContact CG2-CZ3 4.3Å; R571-W575 WeakPolarHBondContact O-CB 3.31Å; R571-W575 PolarHBondContact O-N 2.85Å; V573-W575 PolarHBondContact O-N 2.94Å; W575-G578 PolarHBondContact O-N 2.89Å; W575-G578 VanDerWaalsContact O-N 3.13Å; W575-I579 WeakPolarHBondContact CA-O 3.42Å
576	R	95.3	Very high	95.5	Very high	125 Å²	125	23.9 Å²	23.9	47%	0.472	13%	0.126	S	C	.	.	H	α-helix	trans	-70.7	-26.7	176.3	-76.2	170.5	167.6	179.1	-6.3	113.9	E567 I572 V573 G578	E567-R576 VanDerWaalsContact CD-NH2 3.31Å; E567-R576 IonicContact OE1-NH2 2.67Å; E567-R576 IonicContact OE2-CZ 2.62Å; E567-R576 IonicContact OE2-NH1 2.7Å; E567-R576 PolarHBondContact OE2-NH1 3.14Å; E567-R576 IonicContact OE2-NH2 3.81Å; E567-R576 PolarHBondContact OE2-NH2 2.65Å; I572-R576 WeakPolarHBondContact O-CB 3.33Å; I572-R576 VanDerWaalsContact O-CG 3.28Å; I572-R576 WeakPolarHBondContact O-CG 3.25Å; I572-R576 PolarHBondContact O-N 2.77Å; I572-R576 VanDerWaalsContact O-N 3.15Å; V573-R576 CarbonylContact O-C 3.51Å; V573-R576 WeakPolarHBondContact O-CA 3.44Å; V573-R576 WeakPolarHBondContact O-CB 3.37Å; V573-R576 PolarHBondContact O-N 2.98Å; R576-G578 VanDerWaalsContact C-N 3.26Å
577	E	95.8	Very high	96	Very high	78 Å²	78	23.5 Å²	23.5	36%	0.364	12%	0.124	S	C	.	.	H	α-helix	trans	-73.9	-16.9	169.4	-53.6	-60.2	142.9	0	0	112.3	K495 I499 M502 V573 M574	K495-E577 WeakPolarHBondContact CE-OE1 3.24Å; K495-E577 IonicContact NZ-OE1 2.98Å; K495-E577 PolarHBondContact NZ-OE1 2.82Å; I499-E577 HydrophobicContact CD1-CG 4.34Å; I499-E577 WeakPolarHBondContact CD1-OE2 3.36Å; I499-E577 HydrophobicContact CG1-CG 4.35Å; M502-E577 HydrophobicContact CE-CB 4.38Å; M502-E577 WeakPolarHBondContact CE-O 3.46Å; M502-E577 HydrophobicContact SD-CB 4.39Å; V573-E577 HydrophobicContact CG1-CG 4.44Å; V573-E577 WeakPolarHBondContact O-CG 3.43Å; V573-E577 PolarHBondContact O-N 2.53Å; M574-E577 PolarHBondContact O-N 2.88Å
578	G	94.2	Very high	96.4	Very high	49 Å²	49	20.3 Å²	20.3	51%	0.505	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	133.1	-6.2	171	0	0	0	0	0	116.6	M574 W575 R576 V580	M574-G578 PolarHBondContact O-N 2.71Å; W575-G578 PolarHBondContact O-N 2.89Å; W575-G578 VanDerWaalsContact O-N 3.13Å; R576-G578 VanDerWaalsContact C-N 3.26Å; G578-V580 PolarHBondContact O-N 3.48Å
579	I	95.7	Very high	96.6	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	11%	0.106	C	C	.	.			trans	-77.4	107.1	-174.5	-60.4	172.7	0	0	0	110.4	I498 M502 V507 M574 W575 S582	I498-I579 HydrophobicContact CG2-CD1 3.73Å; M502-I579 HydrophobicContact CE-CD1 4.33Å; M502-I579 HydrophobicContact CE-CG1 3.74Å; M502-I579 HydrophobicContact CG-CD1 4.32Å; M502-I579 HydrophobicContact SD-CD1 3.67Å; M502-I579 HydrophobicContact SD-CG1 3.79Å; V507-I579 HydrophobicContact CB-CD1 3.83Å; V507-I579 HydrophobicContact CB-CG1 4.05Å; V507-I579 HydrophobicContact CG1-CD1 3.57Å; V507-I579 HydrophobicContact CG1-CG1 4.15Å; V507-I579 HydrophobicContact CG1-CG2 4.3Å; V507-I579 HydrophobicContact CG2-CD1 4.37Å; M574-I579 HydrophobicContact CB-CD1 4.23Å; M574-I579 PolarHBondContact O-N 2.83Å; W575-I579 WeakPolarHBondContact CA-O 3.42Å; I579-S582 WeakPolarHBondContact O-CB 3.42Å
580	V	92.9	Very high	96.6	Very high	75 Å²	75	20 Å²	20	46%	0.455	11%	0.105	S	C	.	.	S	Bend	trans	-60.5	-50	-176.2	178.6	0	0	0	0	111.9	G578 S582	G578-V580 PolarHBondContact O-N 3.48Å; V580-S582 VanDerWaalsContact C-N 3.27Å; V580-S582 PolarHBondContact O-N 3.47Å; V580-S582 VanDerWaalsContact O-N 3.14Å
581	N	96.2	Very high	96.6	Very high	7 Å²	7	20 Å²	20	4%	0.037	11%	0.105	C	C	.	.	S	Bend	trans	-90	63.5	179.1	-58.7	-36.5	0	0	0	110.2	V508 V509 Y510 Y583 Y622	V508-N581 VanDerWaalsContact O-CB 3.27Å; V508-N581 WeakPolarHBondContact O-CB 3.34Å; V508-N581 PolarHBondContact O-ND2 3.26Å; V509-N581 WeakPolarHBondContact CA-O 3.5Å; V509-N581 HydrophobicContact CG2-CB 4.13Å; Y510-N581 PolarHBondContact N-O 2.93Å; N581-Y583 HydrophobicContact CB-CE2 3.69Å; N581-Y583 PolarHBondContact OD1-OH 2.83Å; N581-Y622 PolarHBondContact ND2-OH 3.1Å
582	S	97.7	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.4	175.2	-175.4	0	0	0	0	110.3	Y510 R571 I579 V580	Y510-S582 WeakPolarHBondContact CD1-OG 3.3Å; Y510-S582 WeakPolarHBondContact O-CA 3.39Å; R571-S582 WeakPolarHBondContact CA-OG 3.48Å; R571-S582 WeakPolarHBondContact CG-O 3.38Å; R571-S582 PolarHBondContact O-OG 2.88Å; I579-S582 WeakPolarHBondContact O-CB 3.42Å; V580-S582 VanDerWaalsContact C-N 3.27Å; V580-S582 PolarHBondContact O-N 3.47Å; V580-S582 VanDerWaalsContact O-N 3.14Å
583	Y	98.3	Very high	96.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.6	-167.7	-59.5	-46.8	0	0	0	114.2	V509 Y510 D512 I524 Y525 S538 F541 P542 N581	V509-Y583 HydrophobicContact CG1-CD2 3.96Å; V509-Y583 HydrophobicContact CG1-CE2 4.24Å; Y510-Y583 PolarHBondContact O-N 3.16Å; D512-Y583 PolarHBondContact N-O 2.95Å; I524-Y583 HydrophobicContact CD1-CG 4.45Å; I524-Y583 HydrophobicContact CG2-CD1 3.44Å; I524-Y583 VanDerWaalsContact CG2-CD1 3.44Å; I524-Y583 HydrophobicContact CG2-CE1 4.15Å; I524-Y583 HydrophobicContact CG2-CG 3.83Å; Y525-Y583 WeakPolarHBondContact O-CA 3.32Å; S538-Y583 VanDerWaalsContact O-CE1 3.25Å; S538-Y583 WeakPolarHBondContact O-CE1 3.15Å; S538-Y583 PolarHBondContact O-OH 2.71Å; F541-Y583 HydrophobicContact CB-CE2 4.22Å; F541-Y583 HydrophobicContact CD1-CD2 4.38Å; F541-Y583 AromaticContact CD1-CE2 3.82Å; F541-Y583 HydrophobicContact CD1-CE2 3.82Å; F541-Y583 HydrophobicContact CG-CE2 4.28Å; P542-Y583 WeakPolarHBondContact CD-OH 3.39Å; P542-Y583 HydrophobicContact CG-CD1 4.48Å; P542-Y583 HydrophobicContact CG-CE1 3.9Å; N581-Y583 HydrophobicContact CB-CE2 3.69Å; N581-Y583 PolarHBondContact OD1-OH 2.83Å
584	T	98.4	Very high	95.5	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.9	159.8	-51.9	0	0	0	0	106.9	D512 H514 I524 Y525 R571 E586	D512-T584 CarbonylContact O-C 3.6Å; D512-T584 WeakPolarHBondContact O-CA 3.49Å; H514-T584 HydrophobicContact CB-CG2 3.98Å; H514-T584 VanDerWaalsContact CD2-CG2 3.44Å; H514-T584 WeakPolarHBondContact CD2-CG2 3.33Å; I524-T584 WeakPolarHBondContact CA-O 3.37Å; Y525-T584 PolarHBondContact N-O 3.01Å; Y525-T584 PolarHBondContact O-N 3.04Å; R571-T584 WeakPolarHBondContact CB-OG1 3.23Å; R571-T584 PolarHBondContact NH1-OG1 2.88Å; T584-E586 HydrophobicContact CG2-CG 4.25Å
585	L	98.5	Very high	94.8	Very high	3 Å²	3	28 Å²	28	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.2	176.3	176.2	57.1	0	0	0	109.1	M427 D512 L513 H514 I524 F553 M611 F615	M427-L585 HydrophobicContact CE-CG 4.35Å; M427-L585 HydrophobicContact SD-CD2 3.83Å; M427-L585 HydrophobicContact SD-CG 4.04Å; D512-L585 PolarHBondContact O-N 3.37Å; L513-L585 HydrophobicContact CD2-CB 3.85Å; L513-L585 HydrophobicContact CD2-CD2 3.85Å; L513-L585 HydrophobicContact CD2-CG 4.28Å; H514-L585 WeakPolarHBondContact CA-O 3.24Å; H514-L585 WeakPolarHBondContact CB-O 3.27Å; H514-L585 PolarHBondContact N-O 3.02Å; I524-L585 HydrophobicContact CD1-CD1 4.43Å; I524-L585 HydrophobicContact CG1-CB 4.3Å; I524-L585 HydrophobicContact CG1-CD1 3.86Å; F553-L585 HydrophobicContact CD2-CD1 4.18Å; F553-L585 HydrophobicContact CE2-CD1 3.72Å; L585-M611 HydrophobicContact CD2-CG 4.07Å; L585-F615 HydrophobicContact CD2-CD2 4.31Å
586	E	98.1	Very high	94	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	104.1	-174.6	-74.8	-85.6	-155	0	0	110	H514 G515 H516 M522 F523 Y525 T584	H514-E586 HydrophobicContact CB-CG 4.46Å; G515-E586 VanDerWaalsContact CA-OE2 3.24Å; G515-E586 WeakPolarHBondContact CA-OE2 3.49Å; G515-E586 PolarHBondContact N-OE2 3.39Å; H516-E586 HydrophobicContact CB-CB 4.24Å; H516-E586 WeakPolarHBondContact CB-OE2 3.49Å; H516-E586 IonicContact CD2-OE1 3.24Å; H516-E586 IonicContact CD2-OE2 3.43Å; H516-E586 PolarHBondContact N-OE2 3.33Å; M522-E586 VanDerWaalsContact CA-O 3.28Å; M522-E586 WeakPolarHBondContact CA-O 3.49Å; F523-E586 HydrophobicContact CD2-CB 4.16Å; F523-E586 HydrophobicContact CE1-CB 4.07Å; F523-E586 HydrophobicContact CE2-CB 3.69Å; F523-E586 HydrophobicContact CE2-CG 4.06Å; F523-E586 HydrophobicContact CZ-CB 3.62Å; F523-E586 HydrophobicContact CZ-CG 4.26Å; F523-E586 PolarHBondContact N-O 3.07Å; F523-E586 VanDerWaalsContact N-O 3.11Å; F523-E586 PolarHBondContact O-N 3.03Å; Y525-E586 HydrophobicContact CD2-CG 3.64Å; Y525-E586 HydrophobicContact CE2-CG 3.69Å; Y525-E586 WeakPolarHBondContact CE2-OE1 3.43Å; T584-E586 HydrophobicContact CG2-CG 4.25Å
587	A	98.1	Very high	93.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.7	173.8	0	0	0	0	0	112	Q423 M427 H514 G515 H516 M522 F608	Q423-A587 HydrophobicContact CB-CB 4.04Å; Q423-A587 HydrophobicContact CG-CB 3.75Å; M427-A587 HydrophobicContact CE-CB 3.57Å; M427-A587 HydrophobicContact SD-CB 3.73Å; H514-A587 PolarHBondContact O-N 3.38Å; G515-A587 CarbonylContact C-O 3.53Å; G515-A587 VanDerWaalsContact C-O 3.31Å; G515-A587 WeakPolarHBondContact CA-O 3.27Å; H516-A587 PolarHBondContact N-O 3.25Å; M522-A587 HydrophobicContact CG-CB 4Å; M522-A587 HydrophobicContact SD-CB 3.58Å; M522-A587 VanDerWaalsContact SD-CB 3.58Å; A587-F608 HydrophobicContact CB-CD1 4.01Å; A587-F608 HydrophobicContact CB-CE1 3.95Å
588	T	97.3	Very high	92.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	150.3	179.6	-172.5	0	0	0	0	113.3	L231 K519 Q521 C590 G591 F603 F608	L231-T588 WeakPolarHBondContact CD1-OG1 3.49Å; K519-T588 VanDerWaalsContact O-CB 3.24Å; K519-T588 WeakPolarHBondContact O-CB 3.46Å; K519-T588 PolarHBondContact O-OG1 3.05Å; Q521-T588 WeakPolarHBondContact O-CB 3.45Å; T588-C590 VanDerWaalsContact C-N 3.28Å; T588-C590 PolarHBondContact OG1-N 2.88Å; T588-C590 VanDerWaalsContact OG1-N 3.12Å; T588-G591 VanDerWaalsContact CG2-N 3.31Å; T588-G591 WeakPolarHBondContact CG2-O 3.48Å; T588-F603 HydrophobicContact CG2-CD2 3.54Å; T588-F603 HydrophobicContact CG2-CE2 3.76Å; T588-F603 HydrophobicContact CG2-CG 4.35Å; T588-F608 WeakPolarHBondContact O-CE1 3.48Å; T588-F608 VanDerWaalsContact O-CZ 3.25Å; T588-F608 WeakPolarHBondContact O-CZ 3.39Å
589	F	96.3	Very high	92.2	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.035	22%	0.222	C	C	.	.	S	Bend	trans	-76.7	-15.8	166.9	-81.6	-110.7	0	0	0	113.1	L231 M236 R255 C313 G420 E421 Y467	L231-F589 HydrophobicContact CD1-CB 4.04Å; M236-F589 HydrophobicContact CE-CB 3.91Å; M236-F589 HydrophobicContact SD-CB 3.99Å; R255-F589 PolarHBondContact NH1-O 2.89Å; R255-F589 PolarHBondContact NH2-O 2.89Å; C313-F589 HydrophobicContact CB-CD1 3.73Å; C313-F589 HydrophobicContact CB-CE1 4Å; G420-F589 WeakPolarHBondContact O-CZ 3.35Å; E421-F589 HydrophobicContact CG-CE2 4.08Å; E421-F589 HydrophobicContact CG-CZ 3.96Å; Y467-F589 HydrophobicContact CE2-CZ 4.25Å
590	C	95.9	Very high	92.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-106.5	-83.4	-170.1	179.4	0	0	0	0	111.5	L107 L231 M236 T588 H602 F603	L107-C590 WeakPolarHBondContact CD2-SG 3.44Å; L231-C590 HydrophobicContact CB-CB 3.96Å; L231-C590 HydrophobicContact CD1-CB 3.8Å; L231-C590 HydrophobicContact CD2-CB 4Å; L231-C590 HydrophobicContact CG-CB 4.14Å; M236-C590 HydrophobicContact CB-CB 3.88Å; M236-C590 HydrophobicContact CG-CB 3.89Å; M236-C590 HydrophobicContact SD-CB 4.06Å; T588-C590 VanDerWaalsContact C-N 3.28Å; T588-C590 PolarHBondContact OG1-N 2.88Å; T588-C590 VanDerWaalsContact OG1-N 3.12Å; C590-H602 CarbonylContact O-C 3.53Å; C590-H602 VanDerWaalsContact O-CA 3.23Å; C590-H602 WeakPolarHBondContact O-CA 3.43Å; C590-F603 PolarHBondContact O-N 3.33Å
591	G	96.1	Very high	92.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	163.8	-142.3	-174.6	0	0	0	0	0	111	Q520 Q521 T588 Y601	Q520-G591 CarbonylContact C-O 3.58Å; Q520-G591 VanDerWaalsContact CA-O 3.32Å; Q520-G591 WeakPolarHBondContact CA-O 3.46Å; Q520-G591 WeakPolarHBondContact CB-O 3.16Å; Q521-G591 PolarHBondContact N-O 2.99Å; T588-G591 VanDerWaalsContact CG2-N 3.31Å; T588-G591 WeakPolarHBondContact CG2-O 3.48Å; G591-Y601 CarbonylContact C-O 3.58Å; G591-Y601 VanDerWaalsContact CA-O 3.31Å; G591-Y601 WeakPolarHBondContact CA-O 3.5Å
592	T	94.9	Very high	92.3	Very high	11 Å²	11	37.5 Å²	37.5	7%	0.067	21%	0.207	C	C	.	.			trans	-107.3	150.4	176.4	-170.6	0	0	0	0	112.2	L107 Q521 G594 G600 Y601 F603	L107-T592 WeakPolarHBondContact CD1-O 3.46Å; Q521-T592 WeakPolarHBondContact CG-OG1 3.01Å; T592-G594 PolarHBondContact O-N 3.44Å; T592-G594 PolarHBondContact OG1-N 3.12Å; T592-G600 CarbonylContact O-C 3.54Å; T592-G600 WeakPolarHBondContact O-CA 3.42Å; T592-Y601 HydrophobicContact CG2-CD1 3.67Å; T592-Y601 HydrophobicContact CG2-CD2 4.29Å; T592-Y601 HydrophobicContact CG2-CE1 3.34Å; T592-Y601 HydrophobicContact CG2-CE2 4Å; T592-Y601 HydrophobicContact CG2-CG 4.13Å; T592-Y601 PolarHBondContact N-O 3.38Å; T592-Y601 PolarHBondContact O-N 3.5Å; T592-F603 HydrophobicContact CG2-CE1 4.29Å
593	A	86.8	Confident	92.3	Very high	57 Å²	57	37.5 Å²	37.5	47%	0.471	21%	0.207	S	C	.	.			trans	-66	-23.1	168.6	0	0	0	0	0	112.8	Q520 G600	Q520-A593 VanDerWaalsContact OE1-CB 3.28Å; A593-G600 WeakPolarHBondContact O-CA 3.39Å; A593-G600 PolarHBondContact O-N 2.7Å; A593-G600 VanDerWaalsContact O-N 3.11Å
594	G	85.7	Confident	92.3	Very high	22 Å²	22	38.6 Å²	38.6	23%	0.227	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	80.3	-153	-161.4	0	0	0	0	0	111.2	T592 E598	T592-G594 PolarHBondContact O-N 3.44Å; T592-G594 PolarHBondContact OG1-N 3.12Å; G594-E598 CarbonylContact C-O 3.15Å; G594-E598 WeakPolarHBondContact CA-O 3.49Å
595	N	83.5	Confident	92.2	Very high	94 Å²	94	38.4 Å²	38.4	50%	0.503	21%	0.212	S	C	.	.			trans	-153	-168.7	176.2	59.1	54.2	0	0	0	108.9	L597 E598	N595-L597 PolarHBondContact O-N 2.85Å; N595-L597 VanDerWaalsContact O-N 3.12Å; N595-L597 WeakPolarHBondContact OD1-CA 3.44Å; N595-L597 WeakPolarHBondContact OD1-CB 3.44Å; N595-L597 PolarHBondContact OD1-N 2.77Å; N595-E598 PolarHBondContact N-O 2.98Å; N595-E598 PolarHBondContact O-N 2.88Å; N595-E598 PolarHBondContact OD1-N 2.83Å
596	D	77.8	Confident	92.1	Very high	174 Å²	174	41.8 Å²	41.8	93%	0.93	23%	0.229	S	C	*	.	S	Bend	trans	-67	-10.3	-178.2	-53.1	-43.4	0	0	0	114.4
597	L	80	Confident	92.1	Very high	168 Å²	168	41.7 Å²	41.7	88%	0.88	23%	0.229	S	C	*	.	S	Bend	trans	-113	-27.9	-178.9	-54.7	175.2	0	0	0	113.2	N595	N595-L597 PolarHBondContact O-N 2.85Å; N595-L597 VanDerWaalsContact O-N 3.12Å; N595-L597 WeakPolarHBondContact OD1-CA 3.44Å; N595-L597 WeakPolarHBondContact OD1-CB 3.44Å; N595-L597 PolarHBondContact OD1-N 2.77Å
598	E	82	Confident	92.1	Very high	117 Å²	117	41.7 Å²	41.7	55%	0.547	23%	0.229	S	C	.	.	S	Bend	trans	-123.2	130.3	-176.1	-66.4	-175.5	169.3	0	0	111.7	G594 N595	G594-E598 CarbonylContact C-O 3.15Å; G594-E598 WeakPolarHBondContact CA-O 3.49Å; N595-E598 PolarHBondContact N-O 2.98Å; N595-E598 PolarHBondContact O-N 2.88Å; N595-E598 PolarHBondContact OD1-N 2.83Å
599	E	87.1	Confident	92.2	Very high	87 Å²	87	42.8 Å²	42.8	41%	0.407	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-72.5	142.1	175.7	-65.2	-157.4	137.6	0	0	113	R106 K109	R106-E599 WeakPolarHBondContact CD-OE2 3.28Å; R106-E599 IonicContact CZ-OE2 3.1Å; R106-E599 IonicContact NE-OE2 3.73Å; R106-E599 IonicContact NH1-OE2 3.8Å; R106-E599 PolarHBondContact NH1-OE2 3.04Å; K109-E599 WeakPolarHBondContact CE-OE1 3.17Å; K109-E599 IonicContact NZ-OE1 2.62Å; K109-E599 PolarHBondContact NZ-OE1 3.02Å
600	G	92.6	Very high	92.3	Very high	10 Å²	10	47.1 Å²	47.1	10%	0.103	25%	0.253	C	S	.	.			trans	-60.6	135.1	173.8	0	0	0	0	0	114.1	L107 T592 A593	L107-G600 PolarHBondContact N-O 3.24Å; T592-G600 CarbonylContact O-C 3.54Å; T592-G600 WeakPolarHBondContact O-CA 3.42Å; A593-G600 WeakPolarHBondContact O-CA 3.39Å; A593-G600 PolarHBondContact O-N 2.7Å; A593-G600 VanDerWaalsContact O-N 3.11Å
601	Y	95.9	Very high	92.4	Very high	22 Å²	22	47.1 Å²	47.1	9%	0.086	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-129.4	154	178.7	58.7	-92.8	0	0	0	111.8	R104 G591 T592 F603	R104-Y601 HydrophobicContact CB-CD2 4.22Å; R104-Y601 HydrophobicContact CB-CG 4.13Å; R104-Y601 HydrophobicContact CG-CD2 4.1Å; R104-Y601 HydrophobicContact CG-CG 4.47Å; R104-Y601 VanDerWaalsContact CZ-CE2 3.42Å; R104-Y601 VanDerWaalsContact NH1-CZ 3.34Å; R104-Y601 PolarHBondContact NH1-OH 3.02Å; R104-Y601 VanDerWaalsContact NH1-OH 3.14Å; G591-Y601 CarbonylContact C-O 3.58Å; G591-Y601 VanDerWaalsContact CA-O 3.31Å; G591-Y601 WeakPolarHBondContact CA-O 3.5Å; T592-Y601 HydrophobicContact CG2-CD1 3.67Å; T592-Y601 HydrophobicContact CG2-CD2 4.29Å; T592-Y601 HydrophobicContact CG2-CE1 3.34Å; T592-Y601 HydrophobicContact CG2-CE2 4Å; T592-Y601 HydrophobicContact CG2-CG 4.13Å; T592-Y601 PolarHBondContact N-O 3.38Å; T592-Y601 PolarHBondContact O-N 3.5Å; Y601-F603 HydrophobicContact CD2-CD1 4.1Å; Y601-F603 HydrophobicContact CD2-CE1 4.3Å; Y601-F603 AromaticContact CE2-CD1 3.7Å; Y601-F603 HydrophobicContact CE2-CD1 3.7Å; Y601-F603 AromaticContact CE2-CE1 3.59Å; Y601-F603 HydrophobicContact CE2-CE1 3.59Å
602	H	97.8	Very high	92.6	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.019	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-73.9	143.4	172	-64.9	93.7	0	0	0	111.4	E105 R106 R237 R255 C590	E105-H602 WeakPolarHBondContact O-CB 3.37Å; E105-H602 PolarHBondContact O-N 3.13Å; E105-H602 PolarHBondContact O-ND1 3.38Å; R106-H602 PolarHBondContact O-CE1 3.15Å; R106-H602 PolarHBondContact O-ND1 2.96Å; R237-H602 PolarHBondContact N-NE2 2.67Å; R255-H602 VanDerWaalsContact CD-CD2 3.46Å; R255-H602 WeakPolarHBondContact CD-CD2 3.25Å; R255-H602 HydrophobicContact CG-CB 3.84Å; R255-H602 PolarHBondContact NE-CD2 3.11Å; C590-H602 CarbonylContact O-C 3.53Å; C590-H602 VanDerWaalsContact O-CA 3.23Å; C590-H602 WeakPolarHBondContact O-CA 3.43Å
603	F	97.6	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.			trans	-79.2	145.3	166.5	-65.2	-7.1	0	0	0	110.2	Y314 Q521 M522 L552 T588 C590 T592 Y601 D607 F608	Y314-F603 VanDerWaalsContact CE2-O 3.3Å; Y314-F603 WeakPolarHBondContact CE2-O 3.34Å; Y314-F603 PolarHBondContact OH-O 3.21Å; Q521-F603 HydrophobicContact CG-CZ 4.3Å; M522-F603 HydrophobicContact CE-CD2 3.66Å; M522-F603 HydrophobicContact CE-CE2 3.85Å; M522-F603 HydrophobicContact CG-CD2 4.49Å; M522-F603 HydrophobicContact CG-CE2 4Å; L552-F603 HydrophobicContact CB-CE2 4.44Å; L552-F603 HydrophobicContact CB-CZ 4.38Å; L552-F603 HydrophobicContact CD2-CD1 3.96Å; L552-F603 HydrophobicContact CD2-CD2 4.4Å; L552-F603 HydrophobicContact CD2-CE1 3.54Å; L552-F603 HydrophobicContact CD2-CE2 4Å; L552-F603 HydrophobicContact CD2-CG 4.39Å; L552-F603 HydrophobicContact CD2-CZ 3.56Å; T588-F603 HydrophobicContact CG2-CD2 3.54Å; T588-F603 HydrophobicContact CG2-CE2 3.76Å; T588-F603 HydrophobicContact CG2-CG 4.35Å; C590-F603 PolarHBondContact O-N 3.33Å; T592-F603 HydrophobicContact CG2-CE1 4.29Å; Y601-F603 HydrophobicContact CD2-CD1 4.1Å; Y601-F603 HydrophobicContact CD2-CE1 4.3Å; Y601-F603 AromaticContact CE2-CD1 3.7Å; Y601-F603 HydrophobicContact CE2-CD1 3.7Å; Y601-F603 AromaticContact CE2-CE1 3.59Å; Y601-F603 HydrophobicContact CE2-CE1 3.59Å; F603-D607 WeakPolarHBondContact CA-OD2 3.44Å; F603-D607 HydrophobicContact CB-CB 4Å; F603-D607 HydrophobicContact CG-CB 4.27Å; F603-F608 HydrophobicContact CB-CE1 4.26Å; F603-F608 HydrophobicContact CB-CZ 4Å; F603-F608 HydrophobicContact CD2-CE1 4.26Å
604	N	97.2	Very high	93.3	Very high	22 Å²	22	47.6 Å²	47.6	12%	0.118	25%	0.248	C	C	.	.			trans	-110	178.1	173.8	69.7	53.8	0	0	0	112.3	P100 Y314 L606 D607 F608	P100-N604 HydrophobicContact CB-CB 3.89Å; P100-N604 HydrophobicContact CG-CB 4.49Å; Y314-N604 WeakPolarHBondContact OH-CA 3.43Å; N604-L606 VanDerWaalsContact C-N 3.29Å; N604-L606 PolarHBondContact O-N 3.22Å; N604-L606 WeakPolarHBondContact OD1-CA 3.2Å; N604-L606 VanDerWaalsContact OD1-CB 3.3Å; N604-L606 WeakPolarHBondContact OD1-CB 3.5Å; N604-L606 PolarHBondContact OD1-N 3.4Å; N604-D607 VanDerWaalsContact CG-OD2 3.29Å; N604-D607 PolarHBondContact N-OD2 3.29Å; N604-D607 PolarHBondContact ND2-OD2 2.76Å; N604-D607 WeakPolarHBondContact O-CB 3.31Å; N604-D607 PolarHBondContact O-N 2.93Å; N604-D607 PolarHBondContact OD1-N 3.29Å; N604-D607 VanDerWaalsContact OD1-N 3.11Å; N604-F608 WeakPolarHBondContact O-CD2 3.43Å; N604-F608 PolarHBondContact O-N 2.87Å
605	S	97	Very high	93.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-38.6	178.6	35.3	0	0	0	0	113.2	N98 F608 E609	N98-S605 PolarHBondContact ND2-OG 3.45Å; N98-S605 WeakPolarHBondContact OD1-CB 3.32Å; N98-S605 PolarHBondContact OD1-OG 2.79Å; S605-F608 PolarHBondContact O-N 2.95Å; S605-E609 WeakPolarHBondContact O-CG 3.29Å; S605-E609 PolarHBondContact O-N 3.42Å
606	L	97.1	Very high	94.6	Very high	73 Å²	73	42.2 Å²	42.2	38%	0.382	21%	0.214	S	C	.	.	H	α-helix	trans	-69.9	-31.2	176.9	-53.4	-177.5	0	0	0	112.6	P100 N604 F608 E609 K610	P100-L606 HydrophobicContact CG-CD1 3.63Å; P100-L606 HydrophobicContact CG-CG 3.96Å; N604-L606 VanDerWaalsContact C-N 3.29Å; N604-L606 PolarHBondContact O-N 3.22Å; N604-L606 WeakPolarHBondContact OD1-CA 3.2Å; N604-L606 VanDerWaalsContact OD1-CB 3.3Å; N604-L606 WeakPolarHBondContact OD1-CB 3.5Å; N604-L606 PolarHBondContact OD1-N 3.4Å; L606-F608 VanDerWaalsContact C-N 3.34Å; L606-E609 PolarHBondContact O-N 2.96Å; L606-K610 WeakPolarHBondContact O-CB 3.39Å; L606-K610 VanDerWaalsContact O-CG 3.3Å; L606-K610 WeakPolarHBondContact O-CG 3.49Å; L606-K610 PolarHBondContact O-N 3.16Å
607	D	98.1	Very high	95.4	Very high	5 Å²	5	36 Å²	36	3%	0.027	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-39.5	171.3	-62	-55.9	0	0	0	111	R104 L552 F603 N604 M611	R104-D607 IonicContact CZ-OD1 2.62Å; R104-D607 IonicContact NE-OD1 2.75Å; R104-D607 IonicContact NH2-OD1 3.31Å; R104-D607 PolarHBondContact NH2-OD1 2.87Å; L552-D607 HydrophobicContact CD1-CB 3.96Å; L552-D607 WeakPolarHBondContact CD1-O 3.41Å; L552-D607 HydrophobicContact CD2-CB 4.16Å; F603-D607 WeakPolarHBondContact CA-OD2 3.44Å; F603-D607 HydrophobicContact CB-CB 4Å; F603-D607 HydrophobicContact CG-CB 4.27Å; N604-D607 VanDerWaalsContact CG-OD2 3.29Å; N604-D607 PolarHBondContact N-OD2 3.29Å; N604-D607 PolarHBondContact ND2-OD2 2.76Å; N604-D607 WeakPolarHBondContact O-CB 3.31Å; N604-D607 PolarHBondContact O-N 2.93Å; N604-D607 PolarHBondContact OD1-N 3.29Å; N604-D607 VanDerWaalsContact OD1-N 3.11Å; D607-M611 PolarHBondContact O-N 2.99Å
608	F	98.5	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-41.1	172.9	-60.2	-56.6	0	0	0	112.1	Y314 Q423 W426 M427 M522 A587 T588 F603 N604 S605 L606 K610 M611 G612	Y314-F608 HydrophobicContact CD2-CD2 4.48Å; Y314-F608 AromaticContact CD2-CE2 3.97Å; Y314-F608 HydrophobicContact CD2-CE2 3.97Å; Y314-F608 HydrophobicContact CE2-CE2 4.06Å; Q423-F608 HydrophobicContact CB-CD1 3.74Å; Q423-F608 HydrophobicContact CB-CD2 4.11Å; Q423-F608 HydrophobicContact CB-CE1 3.68Å; Q423-F608 HydrophobicContact CB-CE2 4.06Å; Q423-F608 HydrophobicContact CB-CG 3.98Å; Q423-F608 HydrophobicContact CB-CZ 3.86Å; W426-F608 HydrophobicContact CB-CB 3.49Å; W426-F608 VanDerWaalsContact CB-CB 3.49Å; W426-F608 HydrophobicContact CB-CD2 4.34Å; W426-F608 HydrophobicContact CB-CG 4.29Å; M427-F608 VanDerWaalsContact CA-O 3.3Å; M427-F608 WeakPolarHBondContact CA-O 3.48Å; M427-F608 HydrophobicContact CG-CB 4.2Å; M427-F608 WeakPolarHBondContact CG-O 3.11Å; M522-F608 HydrophobicContact CE-CD1 3.49Å; M522-F608 VanDerWaalsContact CE-CD1 3.49Å; M522-F608 HydrophobicContact CE-CE1 3.9Å; M522-F608 HydrophobicContact CE-CG 4.48Å; M522-F608 HydrophobicContact SD-CD1 4.17Å; A587-F608 HydrophobicContact CB-CD1 4.01Å; A587-F608 HydrophobicContact CB-CE1 3.95Å; T588-F608 WeakPolarHBondContact O-CE1 3.48Å; T588-F608 VanDerWaalsContact O-CZ 3.25Å; T588-F608 WeakPolarHBondContact O-CZ 3.39Å; F603-F608 HydrophobicContact CB-CE1 4.26Å; F603-F608 HydrophobicContact CB-CZ 4Å; F603-F608 HydrophobicContact CD2-CE1 4.26Å; N604-F608 WeakPolarHBondContact O-CD2 3.43Å; N604-F608 PolarHBondContact O-N 2.87Å; S605-F608 PolarHBondContact O-N 2.95Å; L606-F608 VanDerWaalsContact C-N 3.34Å; F608-K610 PolarHBondContact O-N 2.82Å; F608-M611 WeakPolarHBondContact O-CB 3.44Å; F608-M611 PolarHBondContact O-N 3.06Å; F608-G612 PolarHBondContact O-N 2.62Å
609	E	98.7	Very high	96.9	Very high	22 Å²	22	22.4 Å²	22.4	10%	0.103	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-40.6	175.4	-69.7	170.1	-132.1	0	0	111.6	N98 W426 K429 G430 S605 L606 M611 G612 S613	N98-E609 PolarHBondContact ND2-OE1 3.1Å; W426-E609 HydrophobicContact CB-CG 4.45Å; W426-E609 HydrophobicContact CE3-CG 4.26Å; W426-E609 WeakPolarHBondContact CZ3-OE1 3.14Å; W426-E609 WeakPolarHBondContact O-CA 3.46Å; W426-E609 VanDerWaalsContact O-CG 3.32Å; W426-E609 WeakPolarHBondContact O-CG 3.3Å; K429-E609 HydrophobicContact CB-CG 4.44Å; K429-E609 HydrophobicContact CD-CG 4.34Å; K429-E609 IonicContact NZ-OE2 3.31Å; K429-E609 PolarHBondContact NZ-OE2 2.73Å; G430-E609 WeakPolarHBondContact CA-O 3.22Å; S605-E609 WeakPolarHBondContact O-CG 3.29Å; S605-E609 PolarHBondContact O-N 3.42Å; L606-E609 PolarHBondContact O-N 2.96Å; E609-M611 VanDerWaalsContact C-N 3.34Å; E609-M611 PolarHBondContact O-N 3.14Å; E609-G612 VanDerWaalsContact O-CA 3.31Å; E609-G612 WeakPolarHBondContact O-CA 3.48Å; E609-G612 PolarHBondContact O-N 2.76Å; E609-S613 PolarHBondContact O-N 2.87Å; E609-S613 VanDerWaalsContact O-N 3.17Å
610	K	98.2	Very high	97.1	Very high	100 Å²	100	19.5 Å²	19.5	44%	0.435	10%	0.1	S	C	.	.	H	α-helix	trans	-59.4	-38.7	173.2	-80.1	179.5	174.2	-167.3	0	113.5	I549 L552 L606 F608 G612 S613 H614	I549-K610 HydrophobicContact CD1-CB 4.25Å; L552-K610 HydrophobicContact CD1-CB 4.39Å; L606-K610 WeakPolarHBondContact O-CB 3.39Å; L606-K610 VanDerWaalsContact O-CG 3.3Å; L606-K610 WeakPolarHBondContact O-CG 3.49Å; L606-K610 PolarHBondContact O-N 3.16Å; F608-K610 PolarHBondContact O-N 2.82Å; K610-G612 PolarHBondContact O-N 2.99Å; K610-S613 PolarHBondContact O-N 2.72Å; K610-S613 PolarHBondContact O-OG 3.44Å; K610-S613 VanDerWaalsContact O-OG 3.14Å; K610-H614 PolarHBondContact O-N 2.75Å; K610-H614 PolarHBondContact O-ND1 3.16Å
611	M	98.6	Very high	97.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-32.6	172.5	-173.9	61	48.4	0	0	111.7	M427 M522 L545 I549 L552 F553 L585 D607 F608 E609 F615	M427-M611 HydrophobicContact CG-CB 4.16Å; M427-M611 HydrophobicContact CG-CG 4.32Å; M427-M611 HydrophobicContact SD-CB 4.27Å; M427-M611 HydrophobicContact SD-CG 3.81Å; M522-M611 HydrophobicContact CB-CE 4.2Å; M522-M611 HydrophobicContact CE-CB 4.04Å; M522-M611 HydrophobicContact CE-CE 4.19Å; M522-M611 HydrophobicContact CE-CG 4.49Å; M522-M611 HydrophobicContact CG-CE 4.17Å; M522-M611 HydrophobicContact SD-CB 3.76Å; M522-M611 HydrophobicContact SD-CE 3.73Å; M522-M611 HydrophobicContact SD-CG 3.58Å; M522-M611 VanDerWaalsContact SD-CG 3.58Å; M522-M611 HydrophobicContact SD-SD 4.29Å; L545-M611 HydrophobicContact CD1-SD 4.23Å; L545-M611 HydrophobicContact CD2-SD 4.21Å; L545-M611 HydrophobicContact CG-SD 4.43Å; I549-M611 HydrophobicContact CD1-CE 4.21Å; I549-M611 HydrophobicContact CG2-CE 3.71Å; I549-M611 HydrophobicContact CG2-SD 4.12Å; L552-M611 HydrophobicContact CB-CE 3.4Å; L552-M611 VanDerWaalsContact CB-CE 3.4Å; L552-M611 HydrophobicContact CD1-CE 4.25Å; L552-M611 HydrophobicContact CG-CE 4.46Å; F553-M611 HydrophobicContact CB-CE 4Å; F553-M611 HydrophobicContact CD2-CE 4.49Å; F553-M611 HydrophobicContact CD2-SD 4.19Å; L585-M611 HydrophobicContact CD2-CG 4.07Å; D607-M611 PolarHBondContact O-N 2.99Å; F608-M611 WeakPolarHBondContact O-CB 3.44Å; F608-M611 PolarHBondContact O-N 3.06Å; E609-M611 VanDerWaalsContact C-N 3.34Å; E609-M611 PolarHBondContact O-N 3.14Å; M611-F615 WeakPolarHBondContact O-CB 3.41Å; M611-F615 PolarHBondContact O-N 3.24Å; M611-F615 VanDerWaalsContact O-N 3.17Å
612	G	98.6	Very high	96.9	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-63.7	-47.6	173.4	0	0	0	0	0	113.2	M427 L431 F608 E609 K610	M427-G612 VanDerWaalsContact O-CA 3.26Å; M427-G612 WeakPolarHBondContact O-CA 3.29Å; L431-G612 WeakPolarHBondContact CB-O 3.4Å; F608-G612 PolarHBondContact O-N 2.62Å; E609-G612 VanDerWaalsContact O-CA 3.31Å; E609-G612 WeakPolarHBondContact O-CA 3.48Å; E609-G612 PolarHBondContact O-N 2.76Å; K610-G612 PolarHBondContact O-N 2.99Å
613	S	98.2	Very high	96.4	Very high	25 Å²	25	21.7 Å²	21.7	18%	0.175	11%	0.109	C	C	.	.	H	α-helix	trans	-68.9	-44.7	177.4	75.7	0	0	0	0	111.9	E609 K610 F615 C616 D617	E609-S613 PolarHBondContact O-N 2.87Å; E609-S613 VanDerWaalsContact O-N 3.17Å; K610-S613 PolarHBondContact O-N 2.72Å; K610-S613 PolarHBondContact O-OG 3.44Å; K610-S613 VanDerWaalsContact O-OG 3.14Å; S613-F615 PolarHBondContact O-N 3.38Å; S613-F615 VanDerWaalsContact O-N 3.15Å; S613-C616 WeakPolarHBondContact O-CA 3.31Å; S613-C616 WeakPolarHBondContact O-CB 3.45Å; S613-C616 PolarHBondContact O-N 2.92Å; S613-D617 PolarHBondContact O-N 2.62Å
614	H	98.3	Very high	95.9	Very high	49 Å²	49	23.5 Å²	23.5	23%	0.227	12%	0.119	C	C	.	.	H	α-helix	trans	-68.7	-18.1	-177.4	-68.8	66.3	0	0	0	113	I549 K610 D617 T618	I549-H614 HydrophobicContact CB-CB 4.12Å; I549-H614 HydrophobicContact CD1-CB 4.09Å; I549-H614 HydrophobicContact CG2-CB 3.95Å; K610-H614 PolarHBondContact O-N 2.75Å; K610-H614 PolarHBondContact O-ND1 3.16Å; H614-D617 VanDerWaalsContact CA-OD2 3.32Å; H614-D617 WeakPolarHBondContact CA-OD2 3.24Å; H614-D617 IonicContact CD2-OD2 3.26Å; H614-D617 IonicContact CG-OD2 2.89Å; H614-D617 IonicContact ND1-OD2 3.73Å; H614-T618 VanDerWaalsContact O-CB 3.27Å; H614-T618 WeakPolarHBondContact O-CB 3.28Å; H614-T618 PolarHBondContact O-N 2.89Å; H614-T618 PolarHBondContact O-OG1 2.87Å
615	F	98.6	Very high	95.2	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.013	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-37.7	166.3	-170.3	-80.6	0	0	0	111.9	I413 L431 V509 C511 F541 L585 M611 S613 L619	I413-F615 HydrophobicContact CD1-CD1 4.07Å; I413-F615 HydrophobicContact CD1-CE1 3.62Å; I413-F615 HydrophobicContact CD1-CZ 4.29Å; I413-F615 HydrophobicContact CG1-CE1 4.49Å; L431-F615 HydrophobicContact CD1-CB 4.27Å; L431-F615 HydrophobicContact CD1-CD1 3.77Å; L431-F615 HydrophobicContact CD1-CE1 4.5Å; L431-F615 HydrophobicContact CD1-CG 4.26Å; V509-F615 HydrophobicContact CG1-CZ 4Å; C511-F615 HydrophobicContact CB-CE2 4.1Å; C511-F615 HydrophobicContact CB-CZ 3.79Å; F541-F615 AromaticContact CE1-CD2 3.89Å; F541-F615 HydrophobicContact CE1-CD2 3.89Å; F541-F615 HydrophobicContact CE1-CE1 4.49Å; F541-F615 AromaticContact CE1-CE2 3.52Å; F541-F615 HydrophobicContact CE1-CE2 3.52Å; F541-F615 AromaticContact CE1-CZ 3.86Å; F541-F615 HydrophobicContact CE1-CZ 3.86Å; F541-F615 HydrophobicContact CZ-CD1 4.14Å; F541-F615 AromaticContact CZ-CD2 3.93Å; F541-F615 HydrophobicContact CZ-CD2 3.93Å; F541-F615 AromaticContact CZ-CE1 3.99Å; F541-F615 HydrophobicContact CZ-CE1 3.99Å; F541-F615 AromaticContact CZ-CE2 3.79Å; F541-F615 HydrophobicContact CZ-CE2 3.79Å; F541-F615 HydrophobicContact CZ-CG 4.12Å; F541-F615 AromaticContact CZ-CZ 3.81Å; F541-F615 HydrophobicContact CZ-CZ 3.81Å; L585-F615 HydrophobicContact CD2-CD2 4.31Å; M611-F615 WeakPolarHBondContact O-CB 3.41Å; M611-F615 PolarHBondContact O-N 3.24Å; M611-F615 VanDerWaalsContact O-N 3.17Å; S613-F615 PolarHBondContact O-N 3.38Å; S613-F615 VanDerWaalsContact O-N 3.15Å; F615-L619 HydrophobicContact CD1-CD1 4.04Å; F615-L619 HydrophobicContact CD1-CG 4.43Å; F615-L619 HydrophobicContact CE1-CD1 3.97Å; F615-L619 HydrophobicContact CE1-CG 4.35Å; F615-L619 WeakPolarHBondContact O-CG 3.46Å; F615-L619 PolarHBondContact O-N 3.19Å; F615-L619 VanDerWaalsContact O-N 3.09Å
616	C	98.2	Very high	94.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.1	-43.2	173.6	-72.3	0	0	0	0	112	F434 L445 S613 T618 L619 L620	F434-C616 HydrophobicContact CD1-CB 3.41Å; F434-C616 VanDerWaalsContact CD1-CB 3.41Å; F434-C616 HydrophobicContact CE1-CB 3.61Å; F434-C616 HydrophobicContact CG-CB 4.38Å; L445-C616 HydrophobicContact CD1-CB 3.51Å; S613-C616 WeakPolarHBondContact O-CA 3.31Å; S613-C616 WeakPolarHBondContact O-CB 3.45Å; S613-C616 PolarHBondContact O-N 2.92Å; C616-T618 VanDerWaalsContact C-N 3.26Å; C616-T618 PolarHBondContact O-N 2.7Å; C616-L619 WeakPolarHBondContact O-CA 3.25Å; C616-L619 WeakPolarHBondContact O-CB 3.09Å; C616-L619 PolarHBondContact O-N 3.08Å; C616-L620 PolarHBondContact O-N 2.74Å; C616-L620 VanDerWaalsContact O-N 3.15Å
617	D	94.9	Very high	94.3	Very high	43 Å²	43	32.2 Å²	32.2	23%	0.23	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-40.1	174.7	-50.2	-29.4	0	0	0	110.8	F434 S613 H614 L619 L620 D621	F434-D617 WeakPolarHBondContact CZ-OD1 3.45Å; S613-D617 PolarHBondContact O-N 2.62Å; H614-D617 VanDerWaalsContact CA-OD2 3.32Å; H614-D617 WeakPolarHBondContact CA-OD2 3.24Å; H614-D617 IonicContact CD2-OD2 3.26Å; H614-D617 IonicContact CG-OD2 2.89Å; H614-D617 IonicContact ND1-OD2 3.73Å; D617-L619 VanDerWaalsContact C-N 3.32Å; D617-L619 PolarHBondContact O-N 2.77Å; D617-L620 WeakPolarHBondContact O-CB 3.32Å; D617-L620 PolarHBondContact O-N 3.06Å; D617-D621 PolarHBondContact O-N 2.92Å; D617-D621 VanDerWaalsContact O-N 3.16Å
618	T	97.3	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-29.3	173.8	-55	0	0	0	0	112.7	F541 M544 L545 N548 H614 C616 Y622	F541-T618 HydrophobicContact CD2-CG2 3.8Å; F541-T618 HydrophobicContact CE1-CG2 4.37Å; F541-T618 HydrophobicContact CE2-CG2 3.55Å; F541-T618 HydrophobicContact CG-CG2 4.31Å; F541-T618 HydrophobicContact CZ-CG2 3.86Å; M544-T618 HydrophobicContact CB-CG2 3.63Å; L545-T618 HydrophobicContact CB-CG2 4.06Å; L545-T618 WeakPolarHBondContact CD1-OG1 3.35Å; N548-T618 PolarHBondContact ND2-OG1 2.88Å; H614-T618 VanDerWaalsContact O-CB 3.27Å; H614-T618 WeakPolarHBondContact O-CB 3.28Å; H614-T618 PolarHBondContact O-N 2.89Å; H614-T618 PolarHBondContact O-OG1 2.87Å; C616-T618 VanDerWaalsContact C-N 3.26Å; C616-T618 PolarHBondContact O-N 2.7Å; T618-Y622 VanDerWaalsContact O-CB 3.28Å; T618-Y622 WeakPolarHBondContact O-CB 3.29Å; T618-Y622 PolarHBondContact O-N 3.11Å
619	L	96.3	Very high	93.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-38.2	172.9	-77.9	167.4	0	0	0	111.5	V411 L445 F449 F451 V509 F541 F615 C616 D617 Y622 I623	V411-L619 HydrophobicContact CG1-CD1 4.14Å; V411-L619 HydrophobicContact CG2-CD1 4.11Å; V411-L619 HydrophobicContact CG2-CD2 4.05Å; L445-L619 HydrophobicContact CD2-CB 3.87Å; F449-L619 HydrophobicContact CE2-CB 4.39Å; F449-L619 HydrophobicContact CZ-CD2 4.39Å; F451-L619 HydrophobicContact CE1-CD1 3.79Å; F451-L619 HydrophobicContact CZ-CD1 4.22Å; V509-L619 HydrophobicContact CG2-CD2 3.89Å; F541-L619 HydrophobicContact CD2-CD2 4.48Å; F541-L619 HydrophobicContact CE2-CD2 3.73Å; F541-L619 HydrophobicContact CE2-CG 3.84Å; F541-L619 HydrophobicContact CZ-CD2 4.36Å; F541-L619 HydrophobicContact CZ-CG 4.25Å; F615-L619 HydrophobicContact CD1-CD1 4.04Å; F615-L619 HydrophobicContact CD1-CG 4.43Å; F615-L619 HydrophobicContact CE1-CD1 3.97Å; F615-L619 HydrophobicContact CE1-CG 4.35Å; F615-L619 WeakPolarHBondContact O-CG 3.46Å; F615-L619 PolarHBondContact O-N 3.19Å; F615-L619 VanDerWaalsContact O-N 3.09Å; C616-L619 WeakPolarHBondContact O-CA 3.25Å; C616-L619 WeakPolarHBondContact O-CB 3.09Å; C616-L619 PolarHBondContact O-N 3.08Å; D617-L619 VanDerWaalsContact C-N 3.32Å; D617-L619 PolarHBondContact O-N 2.77Å; L619-Y622 PolarHBondContact O-N 2.95Å; L619-I623 WeakPolarHBondContact O-CG1 3.46Å; L619-I623 PolarHBondContact O-N 2.96Å
620	L	92.3	Very high	93.2	Very high	26 Å²	26	40.7 Å²	40.7	14%	0.136	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-48.2	174	-72.7	163.6	0	0	0	111.4	D441 V444 L445 C616 D617 Y622 I623 D624	D441-L620 HydrophobicContact CB-CD1 3.55Å; V444-L620 HydrophobicContact CB-CD2 4.1Å; V444-L620 HydrophobicContact CG1-CD2 3.63Å; L445-L620 HydrophobicContact CD1-CD1 4.46Å; L445-L620 HydrophobicContact CD1-CG 4.31Å; L445-L620 HydrophobicContact CD2-CD2 3.75Å; L445-L620 HydrophobicContact CD2-CG 3.69Å; L445-L620 HydrophobicContact CG-CD1 4.16Å; L445-L620 HydrophobicContact CG-CD2 3.78Å; L445-L620 HydrophobicContact CG-CG 3.73Å; C616-L620 PolarHBondContact O-N 2.74Å; C616-L620 VanDerWaalsContact O-N 3.15Å; D617-L620 WeakPolarHBondContact O-CB 3.32Å; D617-L620 PolarHBondContact O-N 3.06Å; L620-Y622 PolarHBondContact O-N 3.46Å; L620-I623 PolarHBondContact O-N 3.19Å; L620-I623 VanDerWaalsContact O-N 3.16Å; L620-D624 PolarHBondContact O-N 2.63Å; L620-D624 VanDerWaalsContact O-N 3.11Å
621	D	92.4	Very high	92.9	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-28.8	175	-79.7	-21.9	0	0	0	113.6	M544 N548 D617 K629	M544-D621 WeakPolarHBondContact CE-O 3.5Å; N548-D621 PolarHBondContact ND2-OD2 2.97Å; D617-D621 PolarHBondContact O-N 2.92Å; D617-D621 VanDerWaalsContact O-N 3.16Å; D621-K629 HydrophobicContact CB-CD 3.96Å; D621-K629 VanDerWaalsContact OD1-CD 3.23Å; D621-K629 WeakPolarHBondContact OD1-CD 3.47Å; D621-K629 WeakPolarHBondContact OD1-CE 3.45Å; D621-K629 IonicContact OD1-NZ 3.61Å; D621-K629 PolarHBondContact OD1-NZ 3.02Å
622	Y	91.6	Very high	92.7	Very high	30 Å²	30	48.2 Å²	48.2	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-80.4	-24.1	177.9	-169.8	-104.3	0	0	0	113.4	V508 I540 F541 M544 N581 T618 L619 L620	V508-Y622 HydrophobicContact CG1-CD1 4.11Å; V508-Y622 HydrophobicContact CG1-CE1 3.75Å; I540-Y622 HydrophobicContact CB-CE2 4.17Å; I540-Y622 HydrophobicContact CG2-CD2 4.12Å; I540-Y622 HydrophobicContact CG2-CE2 3.92Å; F541-Y622 HydrophobicContact CB-CD2 4.2Å; F541-Y622 HydrophobicContact CB-CE2 4.3Å; F541-Y622 HydrophobicContact CD2-CD2 4.34Å; F541-Y622 HydrophobicContact CD2-CG 4.09Å; M544-Y622 HydrophobicContact SD-CD2 3.77Å; M544-Y622 HydrophobicContact SD-CG 4.45Å; N581-Y622 PolarHBondContact ND2-OH 3.1Å; T618-Y622 VanDerWaalsContact O-CB 3.28Å; T618-Y622 WeakPolarHBondContact O-CB 3.29Å; T618-Y622 PolarHBondContact O-N 3.11Å; L619-Y622 PolarHBondContact O-N 2.95Å; L620-Y622 PolarHBondContact O-N 3.46Å
623	I	85.9	Confident	92.5	Very high	16 Å²	16	48.6 Å²	48.6	8%	0.082	24%	0.244	C	C	.	.	H	α-helix	trans	-101.1	5.2	175.6	69.1	164.5	0	0	0	114.6	N448 F449 L619 L620 P625	N448-I623 HydrophobicContact CB-CD1 3.79Å; F449-I623 HydrophobicContact CE1-CG2 4.46Å; F449-I623 HydrophobicContact CE2-CD1 3.87Å; F449-I623 HydrophobicContact CE2-CG2 3.88Å; F449-I623 HydrophobicContact CZ-CD1 4.47Å; F449-I623 HydrophobicContact CZ-CG2 3.45Å; F449-I623 VanDerWaalsContact CZ-CG2 3.45Å; L619-I623 WeakPolarHBondContact O-CG1 3.46Å; L619-I623 PolarHBondContact O-N 2.96Å; L620-I623 PolarHBondContact O-N 3.19Å; L620-I623 VanDerWaalsContact O-N 3.16Å; I623-P625 VanDerWaalsContact O-CD 3.3Å; I623-P625 WeakPolarHBondContact O-CD 3.3Å; I623-P625 VanDerWaalsContact O-N 3.11Å
624	D	87.3	Confident	92.3	Very high	38 Å²	38	48.3 Å²	48.3	20%	0.203	24%	0.24	C	C	.	.			trans	-50.5	115.3	-179.4	-163.4	-41.1	0	0	0	111.1	L620 D626 H627 K629	L620-D624 PolarHBondContact O-N 2.63Å; L620-D624 VanDerWaalsContact O-N 3.11Å; D624-D626 PolarHBondContact O-N 3.17Å; D624-D626 PolarHBondContact OD1-N 2.84Å; D624-H627 WeakPolarHBondContact O-CA 3.39Å; D624-H627 PolarHBondContact O-N 3.41Å; D624-K629 HydrophobicContact CB-CD 4.21Å; D624-K629 WeakPolarHBondContact OD2-CD 3.22Å; D624-K629 WeakPolarHBondContact OD2-CE 3.4Å; D624-K629 IonicContact OD2-NZ 3.66Å; D624-K629 PolarHBondContact OD2-NZ 2.87Å
625	P	84	Confident	92	Very high	118 Å²	118	50.1 Å²	50.1	77%	0.766	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.1	-171.9	-25.4	35.3	0	0	0	115.1	I623 H627	I623-P625 VanDerWaalsContact O-CD 3.3Å; I623-P625 WeakPolarHBondContact O-CD 3.3Å; I623-P625 VanDerWaalsContact O-N 3.11Å; P625-H627 VanDerWaalsContact C-N 3.34Å
626	D	88.4	Confident	91.8	Very high	65 Å²	65	53.5 Å²	53.5	35%	0.348	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.2	173.5	111	-19.2	0	0	0	113.3	D624 K628	D624-D626 PolarHBondContact O-N 3.17Å; D624-D626 PolarHBondContact OD1-N 2.84Å; D626-K628 PolarHBondContact O-N 2.95Å; D626-K628 VanDerWaalsContact OD1-CB 3.24Å; D626-K628 WeakPolarHBondContact OD1-CB 3.32Å; D626-K628 VanDerWaalsContact OD1-CG 3.24Å; D626-K628 WeakPolarHBondContact OD1-CG 3.42Å; D626-K628 PolarHBondContact OD1-N 3.37Å; D626-K628 VanDerWaalsContact OD2-CD 3.23Å; D626-K628 WeakPolarHBondContact OD2-CD 3.37Å; D626-K628 WeakPolarHBondContact OD2-CE 3.17Å; D626-K628 IonicContact OD2-NZ 2.79Å; D626-K628 PolarHBondContact OD2-NZ 3.24Å
627	H	86.4	Confident	91.6	Very high	96 Å²	96	53.8 Å²	53.8	44%	0.444	26%	0.263	S	S	.	.			trans	54.5	-3.4	178.9	-66.6	-62.6	0	0	0	117.3	D624 P625 K629 M630 E631	D624-H627 WeakPolarHBondContact O-CA 3.39Å; D624-H627 PolarHBondContact O-N 3.41Å; P625-H627 VanDerWaalsContact C-N 3.34Å; H627-K629 VanDerWaalsContact C-N 3.27Å; H627-K629 PolarHBondContact O-N 2.85Å; H627-K629 VanDerWaalsContact O-N 3.17Å; H627-M630 WeakPolarHBondContact O-CA 3.37Å; H627-M630 VanDerWaalsContact O-CB 3.23Å; H627-M630 WeakPolarHBondContact O-CB 3.39Å; H627-M630 PolarHBondContact O-N 3.32Å; H627-E631 PolarHBondContact O-N 3.33Å
628	K	90.6	Very high	91.5	Very high	85 Å²	85	55.7 Å²	55.7	37%	0.37	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-35.1	-173.2	-67.6	175.9	-167	143.2	0	113.4	D626 M630 E631 H632 H1092	D626-K628 PolarHBondContact O-N 2.95Å; D626-K628 VanDerWaalsContact OD1-CB 3.24Å; D626-K628 WeakPolarHBondContact OD1-CB 3.32Å; D626-K628 VanDerWaalsContact OD1-CG 3.24Å; D626-K628 WeakPolarHBondContact OD1-CG 3.42Å; D626-K628 PolarHBondContact OD1-N 3.37Å; D626-K628 VanDerWaalsContact OD2-CD 3.23Å; D626-K628 WeakPolarHBondContact OD2-CD 3.37Å; D626-K628 WeakPolarHBondContact OD2-CE 3.17Å; D626-K628 IonicContact OD2-NZ 2.79Å; D626-K628 PolarHBondContact OD2-NZ 3.24Å; K628-M630 VanDerWaalsContact C-N 3.29Å; K628-M630 PolarHBondContact O-N 3.22Å; K628-E631 PolarHBondContact O-N 3.31Å; K628-H632 WeakPolarHBondContact O-CB 3.42Å; K628-H632 PolarHBondContact O-N 2.87Å; K628-H1092 PolarHBondContact NZ-CE1 3.42Å; K628-H1092 VanDerWaalsContact NZ-CE1 3.28Å; K628-H1092 PolarHBondContact NZ-NE2 3Å
629	K	89.9	Confident	91.3	Very high	83 Å²	83	59.9 Å²	59.9	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-42.7	174.6	-63.8	174.4	-177.3	160.4	0	110.6	M544 D621 D624 H627 I633	M544-K629 HydrophobicContact CE-CB 3.8Å; D621-K629 HydrophobicContact CB-CD 3.96Å; D621-K629 VanDerWaalsContact OD1-CD 3.23Å; D621-K629 WeakPolarHBondContact OD1-CD 3.47Å; D621-K629 WeakPolarHBondContact OD1-CE 3.45Å; D621-K629 IonicContact OD1-NZ 3.61Å; D621-K629 PolarHBondContact OD1-NZ 3.02Å; D624-K629 HydrophobicContact CB-CD 4.21Å; D624-K629 WeakPolarHBondContact OD2-CD 3.22Å; D624-K629 WeakPolarHBondContact OD2-CE 3.4Å; D624-K629 IonicContact OD2-NZ 3.66Å; D624-K629 PolarHBondContact OD2-NZ 2.87Å; H627-K629 VanDerWaalsContact C-N 3.27Å; H627-K629 PolarHBondContact O-N 2.85Å; H627-K629 VanDerWaalsContact O-N 3.17Å; K629-I633 WeakPolarHBondContact O-CB 3.42Å; K629-I633 VanDerWaalsContact O-CG1 3.25Å; K629-I633 WeakPolarHBondContact O-CG1 3.26Å; K629-I633 PolarHBondContact O-N 2.84Å; K629-I633 VanDerWaalsContact O-N 3.1Å
630	M	91	Very high	91.1	Very high	38 Å²	38	63 Å²	63	19%	0.187	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-44.8	176.7	-155.2	-164.7	71.8	0	0	111.5	I540 M544 H627 K628 I633 M634	I540-M630 HydrophobicContact CD1-CG 3.94Å; I540-M630 HydrophobicContact CD1-SD 4.28Å; I540-M630 HydrophobicContact CG2-CG 3.8Å; M544-M630 HydrophobicContact CE-CB 4.27Å; H627-M630 WeakPolarHBondContact O-CA 3.37Å; H627-M630 VanDerWaalsContact O-CB 3.23Å; H627-M630 WeakPolarHBondContact O-CB 3.39Å; H627-M630 PolarHBondContact O-N 3.32Å; K628-M630 VanDerWaalsContact C-N 3.29Å; K628-M630 PolarHBondContact O-N 3.22Å; M630-I633 PolarHBondContact O-N 2.98Å; M630-M634 VanDerWaalsContact O-CB 3.23Å; M630-M634 WeakPolarHBondContact O-CB 3.19Å; M630-M634 PolarHBondContact O-N 2.82Å
631	E	92.6	Very high	90.8	Very high	122 Å²	122	63.8 Å²	63.8	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-65	-43.4	177.7	-65.6	-172.8	146	0	0	112.8	H627 K628 M634 Q635	H627-E631 PolarHBondContact O-N 3.33Å; K628-E631 PolarHBondContact O-N 3.31Å; E631-M634 WeakPolarHBondContact O-CB 3.24Å; E631-M634 PolarHBondContact O-N 3.32Å; E631-Q635 PolarHBondContact O-N 3.43Å
632	H	93.8	Very high	90.6	Very high	136 Å²	136	65.9 Å²	65.9	63%	0.63	32%	0.319	S	S	*	.	H	α-helix	trans	-63	-44	177.1	176.4	-126.4	0	0	0	111.6	K628 Q635 Y636	K628-H632 WeakPolarHBondContact O-CB 3.42Å; K628-H632 PolarHBondContact O-N 2.87Å; H632-Q635 PolarHBondContact O-N 2.85Å; H632-Y636 WeakPolarHBondContact O-CB 3.13Å; H632-Y636 PolarHBondContact O-N 2.78Å
633	I	95.1	Very high	90.5	Very high	11 Å²	11	68 Å²	68	6%	0.056	34%	0.338	C	S	.	.	H	α-helix	trans	-68.1	-38.6	175.7	-67.3	-72.7	0	0	0	111.3	I540 A543 M544 K547 K629 M630 Q635 Y636 L637	I540-I633 HydrophobicContact CB-CG2 4.4Å; I540-I633 HydrophobicContact CG2-CB 4.34Å; I540-I633 HydrophobicContact CG2-CG2 3.87Å; A543-I633 HydrophobicContact CB-CG2 3.64Å; M544-I633 HydrophobicContact CE-CG1 4.49Å; M544-I633 HydrophobicContact CG-CB 4.37Å; M544-I633 HydrophobicContact CG-CD1 4.38Å; M544-I633 HydrophobicContact CG-CG1 3.79Å; M544-I633 HydrophobicContact CG-CG2 4.28Å; K547-I633 HydrophobicContact CG-CD1 3.98Å; K629-I633 WeakPolarHBondContact O-CB 3.42Å; K629-I633 VanDerWaalsContact O-CG1 3.25Å; K629-I633 WeakPolarHBondContact O-CG1 3.26Å; K629-I633 PolarHBondContact O-N 2.84Å; K629-I633 VanDerWaalsContact O-N 3.1Å; M630-I633 PolarHBondContact O-N 2.98Å; I633-Q635 VanDerWaalsContact C-N 3.32Å; I633-Q635 PolarHBondContact O-N 2.98Å; I633-Y636 PolarHBondContact O-N 2.92Å; I633-L637 HydrophobicContact CG2-CD1 4.04Å; I633-L637 HydrophobicContact CG2-CG 4.48Å; I633-L637 WeakPolarHBondContact O-CB 3.24Å; I633-L637 VanDerWaalsContact O-CG 3.26Å; I633-L637 WeakPolarHBondContact O-CG 3.37Å; I633-L637 PolarHBondContact O-N 3.34Å
634	M	93.2	Very high	90.3	Very high	19 Å²	19	69.6 Å²	69.6	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-44.4	171.1	173.3	69.8	80.6	0	0	111.4	Y536 Y537 I540 M630 E631 L637 K638	Y536-M634 VanDerWaalsContact CB-SD 3.58Å; Y536-M634 HydrophobicContact CD2-SD 4.05Å; Y536-M634 HydrophobicContact CG-SD 4.13Å; Y537-M634 HydrophobicContact CD1-CE 4.35Å; Y537-M634 HydrophobicContact CD2-CE 3.74Å; Y537-M634 HydrophobicContact CE1-CE 4.11Å; Y537-M634 HydrophobicContact CE2-CE 3.48Å; Y537-M634 VanDerWaalsContact CE2-CE 3.48Å; Y537-M634 HydrophobicContact CG-CE 4.2Å; I540-M634 HydrophobicContact CD1-CE 3.77Å; M630-M634 VanDerWaalsContact O-CB 3.23Å; M630-M634 WeakPolarHBondContact O-CB 3.19Å; M630-M634 PolarHBondContact O-N 2.82Å; E631-M634 WeakPolarHBondContact O-CB 3.24Å; E631-M634 PolarHBondContact O-N 3.32Å; M634-L637 PolarHBondContact O-N 2.96Å; M634-K638 HydrophobicContact CG-CD 4.42Å; M634-K638 WeakPolarHBondContact O-CG 3.07Å; M634-K638 PolarHBondContact O-N 3.28Å
635	Q	93.5	Very high	90.1	Very high	86 Å²	86	73.7 Å²	73.7	40%	0.402	36%	0.362	S	S	.	.	H	α-helix	trans	-71.7	-38.1	178.5	-165.4	59.6	34.1	0	0	112.7	E631 H632 I633 L637 K638 N639	E631-Q635 PolarHBondContact O-N 3.43Å; H632-Q635 PolarHBondContact O-N 2.85Å; I633-Q635 VanDerWaalsContact C-N 3.32Å; I633-Q635 PolarHBondContact O-N 2.98Å; Q635-L637 VanDerWaalsContact C-N 3.3Å; Q635-L637 PolarHBondContact O-N 3.42Å; Q635-K638 PolarHBondContact O-N 3.34Å; Q635-N639 PolarHBondContact NE2-OD1 3.21Å; Q635-N639 WeakPolarHBondContact O-CB 3.46Å; Q635-N639 PolarHBondContact O-N 3.26Å; Q635-N639 PolarHBondContact O-OD1 3.36Å
636	Y	94.3	Very high	90.2	Very high	75 Å²	75	72.5 Å²	72.5	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-55.9	-44.9	170	166.3	-103.9	0	0	0	111.6	H632 I633 N639 R640	H632-Y636 WeakPolarHBondContact O-CB 3.13Å; H632-Y636 PolarHBondContact O-N 2.78Å; I633-Y636 PolarHBondContact O-N 2.92Å; Y636-N639 PolarHBondContact O-N 3.47Å; Y636-R640 VanDerWaalsContact O-CB 3.3Å; Y636-R640 WeakPolarHBondContact O-CB 3.3Å; Y636-R640 PolarHBondContact O-N 3.09Å
637	L	93.9	Very high	89.7	Confident	6 Å²	6	72.5 Å²	72.5	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-65.7	-43.3	178.6	-73.1	168.6	0	0	0	112.7	Y536 R539 I540 A543 Y555 I633 M634 Q635 F641	Y536-L637 HydrophobicContact CD1-CB 3.96Å; R539-L637 HydrophobicContact CB-CD1 3.9Å; R539-L637 HydrophobicContact CB-CD2 4.26Å; I540-L637 HydrophobicContact CG1-CD1 4.15Å; A543-L637 HydrophobicContact CB-CD1 4.24Å; A543-L637 HydrophobicContact CB-CD2 4.15Å; A543-L637 HydrophobicContact CB-CG 4.37Å; Y555-L637 HydrophobicContact CE1-CD2 3.94Å; Y555-L637 HydrophobicContact CE2-CD2 4.41Å; Y555-L637 VanDerWaalsContact OH-CD2 3.24Å; Y555-L637 WeakPolarHBondContact OH-CD2 3.26Å; I633-L637 HydrophobicContact CG2-CD1 4.04Å; I633-L637 HydrophobicContact CG2-CG 4.48Å; I633-L637 WeakPolarHBondContact O-CB 3.24Å; I633-L637 VanDerWaalsContact O-CG 3.26Å; I633-L637 WeakPolarHBondContact O-CG 3.37Å; I633-L637 PolarHBondContact O-N 3.34Å; M634-L637 PolarHBondContact O-N 2.96Å; Q635-L637 VanDerWaalsContact C-N 3.3Å; Q635-L637 PolarHBondContact O-N 3.42Å; L637-F641 PolarHBondContact O-N 3Å
638	K	92.1	Very high	88.7	Confident	82 Å²	82	73.3 Å²	73.3	36%	0.357	36%	0.356	S	S	.	.	H	α-helix	trans	-59.4	-52.6	173	-72.4	168	-179.2	174.8	0	111.5	Y536 M634 Q635 R640 F641 V642	Y536-K638 HydrophobicContact CD2-CG 4.01Å; Y536-K638 HydrophobicContact CE2-CG 3.68Å; M634-K638 HydrophobicContact CG-CD 4.42Å; M634-K638 WeakPolarHBondContact O-CG 3.07Å; M634-K638 PolarHBondContact O-N 3.28Å; Q635-K638 PolarHBondContact O-N 3.34Å; K638-R640 VanDerWaalsContact C-N 3.33Å; K638-R640 PolarHBondContact O-N 3.2Å; K638-F641 PolarHBondContact O-N 3.26Å; K638-F641 VanDerWaalsContact O-N 3.15Å; K638-V642 PolarHBondContact O-N 2.89Å
639	N	92.6	Very high	87.2	Confident	89 Å²	89	72.7 Å²	72.7	48%	0.476	36%	0.363	S	S	.	.	H	α-helix	trans	-57.6	-47	-179.5	-71.3	1.8	0	0	0	110.8	Q635 Y636 F641 V642 S643	Q635-N639 PolarHBondContact NE2-OD1 3.21Å; Q635-N639 WeakPolarHBondContact O-CB 3.46Å; Q635-N639 PolarHBondContact O-N 3.26Å; Q635-N639 PolarHBondContact O-OD1 3.36Å; Y636-N639 PolarHBondContact O-N 3.47Å; N639-F641 VanDerWaalsContact C-N 3.34Å; N639-F641 PolarHBondContact O-N 3.31Å; N639-V642 PolarHBondContact O-N 3.33Å; N639-S643 PolarHBondContact O-N 2.99Å; N639-S643 PolarHBondContact O-OG 3.42Å
640	R	91.5	Very high	85.6	Confident	66 Å²	66	75 Å²	75	25%	0.249	38%	0.379	C	S	.	.	H	α-helix	trans	-59.2	-42.4	177.1	-174.1	-168.3	164.1	118.1	7.7	112.2	D556 Y636 K638 V642 S643 M644	D556-R640 IonicContact OD1-CZ 2.73Å; D556-R640 IonicContact OD1-NH1 3.18Å; D556-R640 PolarHBondContact OD1-NH1 3.35Å; D556-R640 IonicContact OD1-NH2 2.73Å; D556-R640 PolarHBondContact OD1-NH2 3.43Å; D556-R640 IonicContact OD2-NH1 3.93Å; Y636-R640 VanDerWaalsContact O-CB 3.3Å; Y636-R640 WeakPolarHBondContact O-CB 3.3Å; Y636-R640 PolarHBondContact O-N 3.09Å; K638-R640 VanDerWaalsContact C-N 3.33Å; K638-R640 PolarHBondContact O-N 3.2Å; R640-V642 VanDerWaalsContact C-N 3.35Å; R640-S643 PolarHBondContact O-N 3.48Å; R640-M644 HydrophobicContact CG-CE 4.18Å; R640-M644 HydrophobicContact CG-SD 4.3Å; R640-M644 WeakPolarHBondContact O-CG 3.47Å; R640-M644 PolarHBondContact O-N 3.17Å
641	F	87	Confident	83.8	Confident	41 Å²	41	80.2 Å²	80.2	18%	0.18	40%	0.403	C	S	.	.	H	α-helix	trans	-64.3	-39.3	178.3	-174.8	-106	0	0	0	112.2	Y536 L637 K638 N639 M644 K645 D661	Y536-F641 HydrophobicContact CE1-CB 4.01Å; Y536-F641 HydrophobicContact CE1-CG 4.31Å; Y536-F641 WeakPolarHBondContact OH-CD1 3.28Å; L637-F641 PolarHBondContact O-N 3Å; K638-F641 PolarHBondContact O-N 3.26Å; K638-F641 VanDerWaalsContact O-N 3.15Å; N639-F641 VanDerWaalsContact C-N 3.34Å; N639-F641 PolarHBondContact O-N 3.31Å; F641-M644 HydrophobicContact CD2-CE 4.35Å; F641-M644 PolarHBondContact O-N 2.87Å; F641-K645 HydrophobicContact CE1-CD 4.16Å; F641-K645 PolarHBondContact O-N 2.96Å; F641-K645 VanDerWaalsContact O-N 3.14Å; F641-D661 WeakPolarHBondContact CZ-OD1 3.33Å
642	V	89	Confident	81.4	Confident	81 Å²	81	83 Å²	83	49%	0.491	41%	0.413	S	S	.	.	H	α-helix	trans	-62.3	-48.1	172.2	173.4	0	0	0	0	111	K638 N639 R640 M644 K645 I646	K638-V642 PolarHBondContact O-N 2.89Å; N639-V642 PolarHBondContact O-N 3.33Å; R640-V642 VanDerWaalsContact C-N 3.35Å; V642-M644 VanDerWaalsContact C-N 3.33Å; V642-M644 PolarHBondContact O-N 2.65Å; V642-K645 PolarHBondContact O-N 3.39Å; V642-I646 HydrophobicContact CG1-CD1 3.75Å; V642-I646 HydrophobicContact CG1-CG1 4.4Å; V642-I646 WeakPolarHBondContact O-CG1 3.41Å; V642-I646 PolarHBondContact O-N 3.17Å
643	S	88.5	Confident	78.5	Confident	74 Å²	74	85.7 Å²	85.7	52%	0.517	43%	0.426	S	S	.	.	H	α-helix	trans	-58.1	-41.8	176.8	-55.8	0	0	0	0	112.9	N639 R640 K645 I646 S647	N639-S643 PolarHBondContact O-N 2.99Å; N639-S643 PolarHBondContact O-OG 3.42Å; R640-S643 PolarHBondContact O-N 3.48Å; S643-K645 VanDerWaalsContact C-N 3.27Å; S643-K645 PolarHBondContact O-N 2.85Å; S643-I646 PolarHBondContact O-N 2.93Å; S643-S647 PolarHBondContact O-N 2.8Å; S643-S647 PolarHBondContact O-OG 2.98Å
644	M	82.6	Confident	75.6	Confident	51 Å²	51	93 Å²	93	25%	0.251	47%	0.465	S	S	.	.	H	α-helix	trans	-69.9	-19.7	177.5	-69.3	-175.7	-52.1	0	0	113.9	R640 F641 V642 S647 M663	R640-M644 HydrophobicContact CG-CE 4.18Å; R640-M644 HydrophobicContact CG-SD 4.3Å; R640-M644 WeakPolarHBondContact O-CG 3.47Å; R640-M644 PolarHBondContact O-N 3.17Å; F641-M644 HydrophobicContact CD2-CE 4.35Å; F641-M644 PolarHBondContact O-N 2.87Å; V642-M644 VanDerWaalsContact C-N 3.33Å; V642-M644 PolarHBondContact O-N 2.65Å; M644-S647 WeakPolarHBondContact CA-OG 3.49Å; M644-S647 PolarHBondContact O-OG 2.99Å; M644-M663 HydrophobicContact CB-CE 4.22Å
645	K	81.6	Confident	72.7	Confident	123 Å²	123	99 Å²	99	54%	0.535	50%	0.498	S	S	.	.	H	α-helix	trans	-80.2	-46.2	169	-78.1	-167.8	170.1	-169.3	0	111.4	F641 V642 S643 S647 K648 S649	F641-K645 HydrophobicContact CE1-CD 4.16Å; F641-K645 PolarHBondContact O-N 2.96Å; F641-K645 VanDerWaalsContact O-N 3.14Å; V642-K645 PolarHBondContact O-N 3.39Å; S643-K645 VanDerWaalsContact C-N 3.27Å; S643-K645 PolarHBondContact O-N 2.85Å; K645-S647 VanDerWaalsContact C-N 3.3Å; K645-S647 PolarHBondContact O-N 3.46Å; K645-K648 WeakPolarHBondContact O-CB 3.28Å; K645-K648 PolarHBondContact O-N 3.23Å; K645-S649 PolarHBondContact O-N 3.38Å; K645-S649 PolarHBondContact O-OG 3Å
646	I	86	Confident	70	Confident	93 Å²	93	104.3 Å²	104.3	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-59.9	-40.8	178.5	-65.3	168.2	0	0	0	111.2	V642 S643 K648 S649 N650	V642-I646 HydrophobicContact CG1-CD1 3.75Å; V642-I646 HydrophobicContact CG1-CG1 4.4Å; V642-I646 WeakPolarHBondContact O-CG1 3.41Å; V642-I646 PolarHBondContact O-N 3.17Å; S643-I646 PolarHBondContact O-N 2.93Å; I646-K648 PolarHBondContact O-N 3.16Å; I646-S649 WeakPolarHBondContact CA-OG 3.32Å; I646-S649 PolarHBondContact O-N 3.01Å; I646-S649 PolarHBondContact O-OG 3.41Å; I646-N650 PolarHBondContact O-N 2.85Å; I646-N650 PolarHBondContact O-OD1 3.22Å
647	S	77.7	Confident	66.9	Low	66 Å²	66	109.4 Å²	109.4	46%	0.462	55%	0.551	S	S	.	*	H	α-helix	trans	-63.9	-25.4	176.2	62.2	0	0	0	0	113.4	S643 M644 K645	S643-S647 PolarHBondContact O-N 2.8Å; S643-S647 PolarHBondContact O-OG 2.98Å; M644-S647 WeakPolarHBondContact CA-OG 3.49Å; M644-S647 PolarHBondContact O-OG 2.99Å; K645-S647 VanDerWaalsContact C-N 3.3Å; K645-S647 PolarHBondContact O-N 3.46Å
648	K	65.5	Low	63.9	Low	113 Å²	113	112.7 Å²	112.7	49%	0.491	57%	0.574	S	S	.	*	H	α-helix	trans	-85.4	-39.4	177	-83.1	-171.2	160.3	-156.1	0	113.3	K645 I646 N650 E651	K645-K648 WeakPolarHBondContact O-CB 3.28Å; K645-K648 PolarHBondContact O-N 3.23Å; I646-K648 PolarHBondContact O-N 3.16Å; K648-N650 PolarHBondContact O-N 2.95Å; K648-E651 PolarHBondContact O-N 2.94Å; K648-E651 VanDerWaalsContact O-N 3.09Å
649	S	59.4	Low	61.1	Low	72 Å²	72	114.7 Å²	114.7	50%	0.503	60%	0.599	S	S	.	*	H	α-helix	trans	-63.2	-23.3	177.1	51.6	0	0	0	0	112.5	K645 I646 E651	K645-S649 PolarHBondContact O-N 3.38Å; K645-S649 PolarHBondContact O-OG 3Å; I646-S649 WeakPolarHBondContact CA-OG 3.32Å; I646-S649 PolarHBondContact O-N 3.01Å; I646-S649 PolarHBondContact O-OG 3.41Å; S649-E651 VanDerWaalsContact C-N 3.32Å
650	N	57.2	Low	58.1	Low	131 Å²	131	115.9 Å²	115.9	70%	0.701	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-1.8	177	-65.7	13.8	0	0	0	113.8	I646 K648	I646-N650 PolarHBondContact O-N 2.85Å; I646-N650 PolarHBondContact O-OD1 3.22Å; K648-N650 PolarHBondContact O-N 2.95Å
651	E	52.9	Low	55.7	Low	148 Å²	148	115.8 Å²	115.8	69%	0.692	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-19.2	179.3	-71.1	-175.5	149.4	0	0	113.6	K648 S649	K648-E651 PolarHBondContact O-N 2.94Å; K648-E651 VanDerWaalsContact O-N 3.09Å; S649-E651 VanDerWaalsContact C-N 3.32Å
652	F	41.1	Very low	53.2	Low	180 Å²	180	117.5 Å²	117.5	79%	0.789	63%	0.627	S	S	*	*			trans	-148.1	117.2	175.1	-80.1	-87.2	0	0	0	112
653	E	33.3	Very low	51	Low	193 Å²	193	117.7 Å²	117.7	90%	0.902	62%	0.623	S	S	*	*			trans	-84.8	105.1	154.8	-70	-174	153.3	0	0	108.5
654	D	35.2	Very low	48.5	Very low	163 Å²	163	119.1 Å²	119.1	87%	0.872	63%	0.633	S	S	*	*			trans	-164.9	152.6	147.8	-129.5	-26.9	0	0	0	111.6
655	D	32.1	Very low	46.4	Very low	147 Å²	147	117.9 Å²	117.9	79%	0.786	63%	0.628	S	S	*	*			trans	-84.6	120.4	-161.3	-121.4	-36.9	0	0	0	114.8
656	K	35.7	Very low	44.4	Very low	196 Å²	196	116.4 Å²	116.4	85%	0.852	63%	0.633	S	S	*	*			trans	-169.3	120.1	139.9	-108.8	149.5	-167.9	160.9	0	114.5	S658	K656-S658 PolarHBondContact O-N 3.33Å
657	L	30.3	Very low	42.3	Very low	182 Å²	182	114.7 Å²	114.7	95%	0.953	63%	0.629	S	S	*	*			trans	-74.3	65.4	170.6	-167.3	69.5	0	0	0	112.1
658	S	30.9	Very low	40.8	Very low	75 Å²	75	112.3 Å²	112.3	52%	0.524	61%	0.611	S	S	.	*			trans	-88	152.8	168.6	-174.9	0	0	0	0	111.1	K656 D660	K656-S658 PolarHBondContact O-N 3.33Å; S658-D660 PolarHBondContact O-N 3.26Å; S658-D660 PolarHBondContact OG-OD2 3.5Å
659	S	32.2	Very low	39.6	Very low	124 Å²	124	111.9 Å²	111.9	87%	0.867	62%	0.618	S	S	*	*			trans	-80.5	37.2	-179.6	52.5	0	0	0	0	113.7	D661	S659-D661 VanDerWaalsContact C-N 3.33Å; S659-D661 PolarHBondContact O-N 3.25Å
660	D	31.3	Very low	38.8	Very low	114 Å²	114	108.6 Å²	108.6	61%	0.61	60%	0.595	S	S	*	*			trans	-81.2	74.1	-175.3	-91	-73.3	0	0	0	112.9	S658 S662	S658-D660 PolarHBondContact O-N 3.26Å; S658-D660 PolarHBondContact OG-OD2 3.5Å; D660-S662 WeakPolarHBondContact CB-OG 3.43Å; D660-S662 PolarHBondContact O-N 2.63Å; D660-S662 WeakPolarHBondContact OD1-CB 3.23Å; D660-S662 PolarHBondContact OD1-OG 2.66Å
661	D	39.7	Very low	38.4	Very low	65 Å²	65	102.8 Å²	102.8	35%	0.348	57%	0.565	S	S	.	*			trans	-73.4	26.5	159.7	-161	52.6	0	0	0	111.6	K528 F641 S659 M663	K528-D661 IonicContact NZ-OD2 3.3Å; K528-D661 PolarHBondContact NZ-OD2 3.01Å; F641-D661 WeakPolarHBondContact CZ-OD1 3.33Å; S659-D661 VanDerWaalsContact C-N 3.33Å; S659-D661 PolarHBondContact O-N 3.25Å; D661-M663 PolarHBondContact O-N 3.23Å; D661-M663 VanDerWaalsContact O-N 3.12Å
662	S	35	Very low	38.1	Very low	77 Å²	77	98.2 Å²	98.2	54%	0.538	55%	0.545	S	S	.	.			trans	-84.5	52.3	179.4	56.2	0	0	0	0	111.1	D660 S664	D660-S662 WeakPolarHBondContact CB-OG 3.43Å; D660-S662 PolarHBondContact O-N 2.63Å; D660-S662 WeakPolarHBondContact OD1-CB 3.23Å; D660-S662 PolarHBondContact OD1-OG 2.66Å; S662-S664 PolarHBondContact O-N 2.94Å
663	M	42	Very low	38.4	Very low	84 Å²	84	90.2 Å²	90.2	41%	0.414	51%	0.511	S	S	.	.			trans	-52.4	143.1	159.1	-91.3	-154.3	154.7	0	0	109.6	M644 D661 D665	M644-M663 HydrophobicContact CB-CE 4.22Å; D661-M663 PolarHBondContact O-N 3.23Å; D661-M663 VanDerWaalsContact O-N 3.12Å; M663-D665 PolarHBondContact O-N 3.26Å
664	S	37.1	Very low	39	Very low	104 Å²	104	83.6 Å²	83.6	73%	0.727	49%	0.487	S	S	*	.	S	Bend	trans	-74.5	53.5	-169.9	45.2	0	0	0	0	114	S662 S666	S662-S664 PolarHBondContact O-N 2.94Å; S664-S666 PolarHBondContact O-N 3.37Å
665	D	38.6	Very low	39.5	Very low	26 Å²	26	80.2 Å²	80.2	14%	0.139	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	10.4	170.6	-91	23.2	0	0	0	113.4	K559 F560 A561 M663 S667	K559-D665 HydrophobicContact CD-CB 4.02Å; K559-D665 WeakPolarHBondContact CD-OD1 3.29Å; K559-D665 WeakPolarHBondContact CD-OD2 3.45Å; K559-D665 WeakPolarHBondContact CE-OD1 3.48Å; K559-D665 IonicContact NZ-OD1 4Å; K559-D665 PolarHBondContact NZ-OD1 2.88Å; F560-D665 PolarHBondContact N-OD2 3.22Å; F560-D665 VanDerWaalsContact N-OD2 3.13Å; A561-D665 HydrophobicContact CB-CB 3.6Å; A561-D665 PolarHBondContact N-OD2 2.7Å; M663-D665 PolarHBondContact O-N 3.26Å; D665-S667 PolarHBondContact O-N 3.5Å
666	S	40.1	Very low	40.4	Very low	91 Å²	91	73.5 Å²	73.5	64%	0.636	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.1	-178.7	-167.4	0	0	0	0	114	Q563 S664 D668	Q563-S666 PolarHBondContact NE2-O 3.38Å; S664-S666 PolarHBondContact O-N 3.37Å; S666-D668 PolarHBondContact O-N 2.7Å
667	S	40.9	Very low	41.4	Very low	57 Å²	57	69.7 Å²	69.7	40%	0.399	42%	0.422	S	S	.	.			trans	-80.1	45.3	-174.6	59.6	0	0	0	0	116	K519 D665	K519-S667 PolarHBondContact NZ-O 2.72Å; D665-S667 PolarHBondContact O-N 3.5Å
668	D	46.1	Very low	43.1	Very low	16 Å²	16	65.2 Å²	65.2	9%	0.086	40%	0.396	C	S	.	.			trans	-93.2	40.6	145.3	-170.7	23.6	0	0	0	112	Y525 K566 S666 G670 S671	Y525-D668 HydrophobicContact CE1-CB 4.02Å; Y525-D668 PolarHBondContact OH-OD1 3.32Å; K566-D668 WeakPolarHBondContact CE-OD2 3.25Å; K566-D668 PolarHBondContact NZ-O 3.16Å; K566-D668 IonicContact NZ-OD1 2.7Å; K566-D668 PolarHBondContact NZ-OD1 3.21Å; K566-D668 IonicContact NZ-OD2 2.86Å; K566-D668 PolarHBondContact NZ-OD2 3.18Å; S666-D668 PolarHBondContact O-N 2.7Å; D668-G670 PolarHBondContact O-N 2.84Å; D668-G670 WeakPolarHBondContact OD1-CA 3.3Å; D668-G670 PolarHBondContact OD1-N 2.92Å; D668-S671 PolarHBondContact OD1-N 3.49Å
669	V	41.3	Very low	45.4	Very low	105 Å²	105	65.4 Å²	65.4	64%	0.636	39%	0.391	S	S	*	.			trans	-67.1	35.8	136.9	-61	0	0	0	0	110.9	R518	R518-V669 PolarHBondContact NH2-O 2.98Å
670	G	42	Very low	47.9	Very low	3 Å²	3	59.6 Å²	59.6	3%	0.031	35%	0.35	C	S	.	.	S	Bend	trans	-106.4	-48.8	-173.6	0	0	0	0	0	111	H516 R518 D668	H516-G670 VanDerWaalsContact CE1-CA 3.48Å; H516-G670 WeakPolarHBondContact CE1-CA 3.49Å; H516-G670 WeakPolarHBondContact NE2-CA 3.25Å; R518-G670 PolarHBondContact NE-O 3.17Å; R518-G670 VanDerWaalsContact NE-O 3.08Å; R518-G670 PolarHBondContact NH2-O 3.12Å; D668-G670 PolarHBondContact O-N 2.84Å; D668-G670 WeakPolarHBondContact OD1-CA 3.3Å; D668-G670 PolarHBondContact OD1-N 2.92Å
671	S	48	Very low	50.2	Low	9 Å²	9	55.3 Å²	55.3	6%	0.063	33%	0.33	C	S	.	.	S	Bend	trans	-92.6	107.8	154.3	-98.3	0	0	0	0	110.6	R468 K566 D668 S673	R468-S671 PolarHBondContact NH1-OG 3.29Å; R468-S671 PolarHBondContact NH2-OG 2.88Å; K566-S671 PolarHBondContact NZ-O 2.72Å; D668-S671 PolarHBondContact OD1-N 3.49Å; S671-S673 PolarHBondContact O-N 3.29Å
672	D	48	Very low	52.3	Low	52 Å²	52	56.3 Å²	56.3	28%	0.278	33%	0.33	S	S	.	.			trans	-70.2	62.5	169.1	-73.1	-15.4	0	0	0	111.2	R518 S674	R518-D672 IonicContact CZ-OD1 3.57Å; R518-D672 IonicContact CZ-OD2 3.59Å; R518-D672 VanDerWaalsContact CZ-OD2 3.31Å; R518-D672 VanDerWaalsContact NH1-CG 3.31Å; R518-D672 IonicContact NH1-OD1 2.7Å; R518-D672 PolarHBondContact NH1-OD1 2.85Å; R518-D672 IonicContact NH1-OD2 2.63Å; R518-D672 PolarHBondContact NH1-OD2 2.9Å; R518-D672 IonicContact NH2-OD1 3.77Å; R518-D672 PolarHBondContact NH2-OD1 2.97Å; R518-D672 IonicContact NH2-OD2 2.66Å; R518-D672 PolarHBondContact NH2-OD2 2.82Å; R518-D672 VanDerWaalsContact NH2-OD2 3.16Å; D672-S674 VanDerWaalsContact C-N 3.31Å; D672-S674 PolarHBondContact O-N 3.27Å
673	S	47.4	Very low	54.5	Low	11 Å²	11	57 Å²	57	8%	0.077	32%	0.321	C	S	.	.			trans	-81.2	82.6	163.9	57.7	0	0	0	0	108.7	R478 S671 N675	R478-S673 PolarHBondContact NE-OG 2.84Å; R478-S673 PolarHBondContact NH2-OG 2.9Å; S671-S673 PolarHBondContact O-N 3.29Å; S673-N675 PolarHBondContact O-N 3.12Å
674	S	45.9	Very low	56.2	Low	55 Å²	55	54.4 Å²	54.4	39%	0.385	31%	0.313	S	S	.	.			trans	-43.4	131.2	150.6	59.6	0	0	0	0	108.2	D672 C676	D672-S674 VanDerWaalsContact C-N 3.31Å; D672-S674 PolarHBondContact O-N 3.27Å; S674-C676 PolarHBondContact O-N 2.79Å
675	N	44.5	Very low	58.3	Low	91 Å²	91	53.1 Å²	53.1	49%	0.487	29%	0.293	S	S	.	.			trans	-50.1	94	-174.2	-92.4	-22.8	0	0	0	112.1	E565 S673 D677	E565-N675 WeakPolarHBondContact CA-OD1 3.43Å; E565-N675 WeakPolarHBondContact CB-OD1 3.31Å; E565-N675 WeakPolarHBondContact CG-OD1 3.45Å; S673-N675 PolarHBondContact O-N 3.12Å; N675-D677 PolarHBondContact O-N 2.97Å; N675-D677 VanDerWaalsContact O-N 3.12Å
676	C	52.5	Low	60.4	Low	6 Å²	6	54.3 Å²	54.3	4%	0.041	30%	0.301	C	S	.	.			trans	-93.3	47.7	-174.3	60.4	0	0	0	0	110.2	R478 K479 S674 E678	R478-C676 VanDerWaalsContact CG-SG 3.57Å; K479-C676 PolarHBondContact NZ-O 3.29Å; S674-C676 PolarHBondContact O-N 2.79Å; C676-E678 HydrophobicContact CB-CB 4.48Å; C676-E678 PolarHBondContact O-N 3.11Å; C676-E678 VanDerWaalsContact O-N 3.16Å
677	D	55.2	Low	62.3	Low	116 Å²	116	52.9 Å²	52.9	62%	0.62	29%	0.286	S	S	*	.			trans	-62.6	-6.5	158.9	-65.4	-47.3	0	0	0	111.9	N675 L679	N675-D677 PolarHBondContact O-N 2.97Å; N675-D677 VanDerWaalsContact O-N 3.12Å; D677-L679 PolarHBondContact O-N 3.08Å; D677-L679 VanDerWaalsContact O-N 3.15Å
678	E	67.3	Low	64	Low	89 Å²	89	56.3 Å²	56.3	42%	0.416	30%	0.296	S	S	.	.			trans	-24.4	115.4	155.1	-78.5	170.9	-127.1	0	0	111.9	K200 K479 C676	K200-E678 WeakPolarHBondContact CE-OE2 3.45Å; K200-E678 IonicContact NZ-OE1 2.95Å; K200-E678 PolarHBondContact NZ-OE1 2.87Å; K200-E678 IonicContact NZ-OE2 2.72Å; K200-E678 PolarHBondContact NZ-OE2 2.84Å; K479-E678 PolarHBondContact NZ-O 2.85Å; C676-E678 HydrophobicContact CB-CB 4.48Å; C676-E678 PolarHBondContact O-N 3.11Å; C676-E678 VanDerWaalsContact O-N 3.16Å
679	L	78.9	Confident	65.3	Low	79 Å²	79	61.3 Å²	61.3	41%	0.414	32%	0.317	S	S	.	.			trans	-69.8	149.9	177.1	-64.5	172.9	0	0	0	109.8	D677 A681 Y683 A684 L687	D677-L679 PolarHBondContact O-N 3.08Å; D677-L679 VanDerWaalsContact O-N 3.15Å; L679-A681 PolarHBondContact O-N 3.24Å; L679-Y683 HydrophobicContact CB-CD1 4.18Å; L679-Y683 HydrophobicContact CD1-CD1 4Å; L679-Y683 HydrophobicContact CD1-CE1 4.29Å; L679-Y683 HydrophobicContact CD2-CD1 4.08Å; L679-Y683 HydrophobicContact CD2-CE1 4.32Å; L679-Y683 HydrophobicContact CG-CD1 4.31Å; L679-A684 HydrophobicContact CB-CB 4.33Å; L679-L687 HydrophobicContact CD1-CD1 3.59Å
680	P	84.1	Confident	66.7	Low	2 Å²	2	59.4 Å²	59.4	1%	0.013	31%	0.308	C	S	.	.			trans	-47.2	137.4	173.7	-26.9	32.9	0	0	0	111.4	F487 F488 Y682 Y683 A684	F487-P680 HydrophobicContact CB-CB 4.08Å; F487-P680 HydrophobicContact CB-CG 3.58Å; F487-P680 HydrophobicContact CD1-CB 3.63Å; F487-P680 HydrophobicContact CD1-CG 3.98Å; F487-P680 HydrophobicContact CD2-CB 4.46Å; F487-P680 HydrophobicContact CD2-CG 4.02Å; F487-P680 HydrophobicContact CE1-CB 4.18Å; F487-P680 HydrophobicContact CG-CB 3.8Å; F487-P680 HydrophobicContact CG-CG 3.58Å; F488-P680 HydrophobicContact CE1-CG 4.11Å; F488-P680 HydrophobicContact CE2-CG 4.24Å; F488-P680 HydrophobicContact CZ-CG 3.57Å; P680-Y682 PolarHBondContact O-N 3.24Å; P680-Y683 WeakPolarHBondContact O-CA 3.3Å; P680-Y683 WeakPolarHBondContact O-CB 3.39Å; P680-Y683 PolarHBondContact O-N 3.38Å; P680-A684 PolarHBondContact O-N 3.42Å
681	A	80.1	Confident	67.6	Low	23 Å²	23	67.1 Å²	67.1	19%	0.19	34%	0.341	C	S	.	.	H	α-helix	trans	-54.4	-37.9	-169.3	0	0	0	0	0	113.2	F143 S472 L679 Y685	F143-A681 HydrophobicContact CB-CB 3.95Å; S472-A681 PolarHBondContact O-N 2.8Å; L679-A681 PolarHBondContact O-N 3.24Å; A681-Y685 WeakPolarHBondContact O-CB 3.4Å; A681-Y685 PolarHBondContact O-N 2.93Å; A681-Y685 VanDerWaalsContact O-N 3.1Å
682	Y	82.6	Confident	68.1	Low	87 Å²	87	74.4 Å²	74.4	34%	0.341	37%	0.371	S	S	.	.	H	α-helix	trans	-63.4	-45.1	172.2	176.2	-96.1	0	0	0	113.2	F143 F487 P680 Y685 V686	F143-Y682 HydrophobicContact CD1-CD2 4.37Å; F143-Y682 AromaticContact CD2-CD2 3.71Å; F143-Y682 HydrophobicContact CD2-CD2 3.71Å; F143-Y682 HydrophobicContact CD2-CG 4.45Å; F143-Y682 HydrophobicContact CE1-CD2 4.34Å; F143-Y682 AromaticContact CE2-CD2 3.65Å; F143-Y682 HydrophobicContact CE2-CD2 3.65Å; F143-Y682 HydrophobicContact CE2-CE2 4.24Å; F143-Y682 HydrophobicContact CG-CD2 4.08Å; F143-Y682 AromaticContact CZ-CD2 3.98Å; F143-Y682 HydrophobicContact CZ-CD2 3.98Å; F143-Y682 HydrophobicContact CZ-CE2 4.47Å; F487-Y682 AromaticContact CE1-CD1 3.84Å; F487-Y682 HydrophobicContact CE1-CD1 3.84Å; F487-Y682 HydrophobicContact CE1-CG 4.44Å; F487-Y682 AromaticContact CZ-CD1 3.79Å; F487-Y682 HydrophobicContact CZ-CD1 3.79Å; F487-Y682 HydrophobicContact CZ-CE1 4.43Å; P680-Y682 PolarHBondContact O-N 3.24Å; Y682-Y685 WeakPolarHBondContact O-CB 3.22Å; Y682-Y685 PolarHBondContact O-N 3.28Å; Y682-V686 HydrophobicContact CD1-CG2 4.27Å; Y682-V686 HydrophobicContact CE1-CG2 3.8Å; Y682-V686 HydrophobicContact CE2-CG2 4.24Å; Y682-V686 WeakPolarHBondContact O-CG2 3.34Å; Y682-V686 PolarHBondContact O-N 2.88Å
683	Y	81.4	Confident	68.3	Low	90 Å²	90	79.6 Å²	79.6	35%	0.353	39%	0.391	S	S	.	.	H	α-helix	trans	-68.2	-41.4	-178.1	-165.8	-110.1	0	0	0	111.2	F487 L679 P680 Y685 V686 L687	F487-Y683 HydrophobicContact CE2-CD2 4.3Å; L679-Y683 HydrophobicContact CB-CD1 4.18Å; L679-Y683 HydrophobicContact CD1-CD1 4Å; L679-Y683 HydrophobicContact CD1-CE1 4.29Å; L679-Y683 HydrophobicContact CD2-CD1 4.08Å; L679-Y683 HydrophobicContact CD2-CE1 4.32Å; L679-Y683 HydrophobicContact CG-CD1 4.31Å; P680-Y683 WeakPolarHBondContact O-CA 3.3Å; P680-Y683 WeakPolarHBondContact O-CB 3.39Å; P680-Y683 PolarHBondContact O-N 3.38Å; Y683-Y685 VanDerWaalsContact C-N 3.33Å; Y683-Y685 PolarHBondContact O-N 2.92Å; Y683-V686 PolarHBondContact O-N 3.37Å; Y683-L687 HydrophobicContact CD1-CD1 4Å; Y683-L687 HydrophobicContact CE1-CD1 3.79Å; Y683-L687 HydrophobicContact CE1-CG 4.39Å; Y683-L687 WeakPolarHBondContact O-CG 3.3Å; Y683-L687 PolarHBondContact O-N 2.94Å
684	A	79.1	Confident	68.4	Low	30 Å²	30	81.3 Å²	81.3	25%	0.248	41%	0.41	C	S	.	.	H	α-helix	trans	-57.9	-44.3	171.6	0	0	0	0	0	111.9	L679 P680 L687 Q688	L679-A684 HydrophobicContact CB-CB 4.33Å; P680-A684 PolarHBondContact O-N 3.42Å; A684-L687 PolarHBondContact O-N 2.78Å; A684-Q688 WeakPolarHBondContact O-CG 3.34Å; A684-Q688 PolarHBondContact O-N 3.06Å
685	Y	80.7	Confident	68.5	Low	77 Å²	77	87 Å²	87	30%	0.302	43%	0.428	S	S	.	.	H	α-helix	trans	-62.1	-42.7	176.3	172.8	-94.9	0	0	0	113.1	F143 A681 Y682 Y683 Q688 K689	F143-Y685 HydrophobicContact CD1-CD1 4.42Å; F143-Y685 HydrophobicContact CD1-CG 4.21Å; F143-Y685 AromaticContact CE1-CD1 3.49Å; F143-Y685 HydrophobicContact CE1-CD1 3.49Å; F143-Y685 VanDerWaalsContact CE1-CD1 3.49Å; F143-Y685 AromaticContact CE1-CD2 3.96Å; F143-Y685 HydrophobicContact CE1-CD2 3.96Å; F143-Y685 AromaticContact CE1-CE1 3.8Å; F143-Y685 HydrophobicContact CE1-CE1 3.8Å; F143-Y685 HydrophobicContact CE1-CE2 4.23Å; F143-Y685 AromaticContact CE1-CG 3.56Å; F143-Y685 HydrophobicContact CE1-CG 3.56Å; F143-Y685 AromaticContact CZ-CD1 4Å; F143-Y685 HydrophobicContact CZ-CD1 4Å; F143-Y685 AromaticContact CZ-CE1 3.97Å; F143-Y685 HydrophobicContact CZ-CE1 3.97Å; F143-Y685 HydrophobicContact CZ-CG 4.49Å; A681-Y685 WeakPolarHBondContact O-CB 3.4Å; A681-Y685 PolarHBondContact O-N 2.93Å; A681-Y685 VanDerWaalsContact O-N 3.1Å; Y682-Y685 WeakPolarHBondContact O-CB 3.22Å; Y682-Y685 PolarHBondContact O-N 3.28Å; Y683-Y685 VanDerWaalsContact C-N 3.33Å; Y683-Y685 PolarHBondContact O-N 2.92Å; Y685-Q688 PolarHBondContact O-N 3.04Å; Y685-K689 HydrophobicContact CD1-CD 4.48Å; Y685-K689 HydrophobicContact CE1-CD 3.79Å; Y685-K689 PolarHBondContact O-N 3.43Å; Y685-K689 VanDerWaalsContact OH-CE 3.22Å; Y685-K689 WeakPolarHBondContact OH-CE 3.46Å; Y685-K689 PolarHBondContact OH-NZ 2.83Å
686	V	81.6	Confident	68.7	Low	51 Å²	51	92.7 Å²	92.7	31%	0.309	44%	0.443	S	S	.	.	H	α-helix	trans	-62.1	-44.5	176.4	170.8	0	0	0	0	111.2	Y682 Y683 Q688 K689 S690	Y682-V686 HydrophobicContact CD1-CG2 4.27Å; Y682-V686 HydrophobicContact CE1-CG2 3.8Å; Y682-V686 HydrophobicContact CE2-CG2 4.24Å; Y682-V686 WeakPolarHBondContact O-CG2 3.34Å; Y682-V686 PolarHBondContact O-N 2.88Å; Y683-V686 PolarHBondContact O-N 3.37Å; V686-Q688 VanDerWaalsContact C-N 3.33Å; V686-Q688 PolarHBondContact O-N 3.08Å; V686-K689 PolarHBondContact O-N 2.94Å; V686-K689 VanDerWaalsContact O-N 3.16Å; V686-S690 PolarHBondContact O-N 3.22Å
687	L	80.1	Confident	68.4	Low	61 Å²	61	100.8 Å²	100.8	32%	0.319	48%	0.478	S	S	.	.	H	α-helix	trans	-65.6	-31.8	177.3	-67.7	176.5	0	0	0	113.3	L679 Y683 A684 S690 K691	L679-L687 HydrophobicContact CD1-CD1 3.59Å; Y683-L687 HydrophobicContact CD1-CD1 4Å; Y683-L687 HydrophobicContact CE1-CD1 3.79Å; Y683-L687 HydrophobicContact CE1-CG 4.39Å; Y683-L687 WeakPolarHBondContact O-CG 3.3Å; Y683-L687 PolarHBondContact O-N 2.94Å; A684-L687 PolarHBondContact O-N 2.78Å; L687-S690 PolarHBondContact O-OG 3.23Å; L687-S690 VanDerWaalsContact O-OG 3.06Å; L687-K691 WeakPolarHBondContact O-CG 3.29Å; L687-K691 PolarHBondContact O-N 3.44Å
688	Q	77.6	Confident	67.9	Low	129 Å²	129	105.8 Å²	105.8	60%	0.603	49%	0.488	S	S	*	.	H	α-helix	trans	-69.1	-38.5	171.7	-71.2	179.6	15.8	0	0	111.9	A684 Y685 V686 K692	A684-Q688 WeakPolarHBondContact O-CG 3.34Å; A684-Q688 PolarHBondContact O-N 3.06Å; Y685-Q688 PolarHBondContact O-N 3.04Å; V686-Q688 VanDerWaalsContact C-N 3.33Å; V686-Q688 PolarHBondContact O-N 3.08Å; Q688-K692 PolarHBondContact O-N 3.02Å
689	K	73.6	Confident	66.7	Low	122 Å²	122	110.6 Å²	110.6	53%	0.53	51%	0.507	S	S	.	.	H	α-helix	trans	-66.9	-41.3	176.4	-93.4	-175.7	163.1	177.8	0	112.8	Y685 V686 K692 K693	Y685-K689 HydrophobicContact CD1-CD 4.48Å; Y685-K689 HydrophobicContact CE1-CD 3.79Å; Y685-K689 PolarHBondContact O-N 3.43Å; Y685-K689 VanDerWaalsContact OH-CE 3.22Å; Y685-K689 WeakPolarHBondContact OH-CE 3.46Å; Y685-K689 PolarHBondContact OH-NZ 2.83Å; V686-K689 PolarHBondContact O-N 2.94Å; V686-K689 VanDerWaalsContact O-N 3.16Å; K689-K692 PolarHBondContact O-N 2.82Å; K689-K693 PolarHBondContact O-N 2.95Å; K689-K693 VanDerWaalsContact O-N 3.15Å
690	S	70.4	Confident	65.1	Low	64 Å²	64	113.8 Å²	113.8	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-46.4	178.8	64.3	0	0	0	0	112	V686 L687 K692 K693 G694	V686-S690 PolarHBondContact O-N 3.22Å; L687-S690 PolarHBondContact O-OG 3.23Å; L687-S690 VanDerWaalsContact O-OG 3.06Å; S690-K692 PolarHBondContact O-N 3.25Å; S690-K693 PolarHBondContact O-N 3.23Å; S690-K693 VanDerWaalsContact O-N 3.1Å; S690-G694 PolarHBondContact O-N 3.35Å
691	K	61.2	Low	62.9	Low	165 Å²	165	119.6 Å²	119.6	72%	0.717	56%	0.559	S	S	*	*	H	α-helix	trans	-57.1	-34.1	174.8	-72	-179.3	178.8	-176.6	0	112.9	L687	L687-K691 WeakPolarHBondContact O-CG 3.29Å; L687-K691 PolarHBondContact O-N 3.44Å
692	K	57.8	Low	60.9	Low	162 Å²	162	127.1 Å²	127.1	70%	0.704	59%	0.59	S	S	*	*	H	α-helix	trans	-72.9	-36.8	175	-74.4	-174.3	177.1	-175.1	0	113.6	Q688 K689 S690 K695	Q688-K692 PolarHBondContact O-N 3.02Å; K689-K692 PolarHBondContact O-N 2.82Å; S690-K692 PolarHBondContact O-N 3.25Å; K692-K695 PolarHBondContact O-N 3.27Å
693	K	51.6	Low	58.6	Low	162 Å²	162	132.4 Å²	132.4	70%	0.704	62%	0.615	S	S	*	*	H	α-helix	trans	-63.8	-39.8	174.8	-78.4	-166.9	175.1	-173.8	0	111.9	K689 S690 K695 R696	K689-K693 PolarHBondContact O-N 2.95Å; K689-K693 VanDerWaalsContact O-N 3.15Å; S690-K693 PolarHBondContact O-N 3.23Å; S690-K693 VanDerWaalsContact O-N 3.1Å; K693-K695 PolarHBondContact O-N 3.47Å; K693-R696 PolarHBondContact O-N 2.81Å
694	G	50.8	Low	56.6	Low	46 Å²	46	138.4 Å²	138.4	47%	0.474	64%	0.637	S	S	.	*	H	α-helix	trans	-58.6	-42.1	177.5	0	0	0	0	0	114.2	S690 R696 K697	S690-G694 PolarHBondContact O-N 3.35Å; G694-R696 VanDerWaalsContact C-N 3.29Å; G694-R696 PolarHBondContact O-N 3.23Å; G694-K697 PolarHBondContact O-N 2.74Å
695	K	47.9	Very low	54.6	Low	175 Å²	175	143.1 Å²	143.1	76%	0.761	65%	0.654	S	S	*	*	H	α-helix	trans	-67.9	-21.6	177.8	-73.6	-166	174.4	-170.5	0	114.2	K692 K693	K692-K695 PolarHBondContact O-N 3.27Å; K693-K695 PolarHBondContact O-N 3.47Å
696	R	48.7	Very low	52.5	Low	211 Å²	211	144.1 Å²	144.1	80%	0.796	67%	0.668	S	S	*	*	H	α-helix	trans	-76.9	-40.1	174.7	-90.4	-173.3	169.9	179.1	-3.7	112.9	K693 G694 R698 K699	K693-R696 PolarHBondContact O-N 2.81Å; G694-R696 VanDerWaalsContact C-N 3.29Å; G694-R696 PolarHBondContact O-N 3.23Å; R696-R698 VanDerWaalsContact C-N 3.31Å; R696-R698 PolarHBondContact O-N 2.8Å; R696-K699 PolarHBondContact O-N 2.93Å; R696-K699 VanDerWaalsContact O-N 3.17Å
697	K	45.2	Very low	50.4	Low	176 Å²	176	148.8 Å²	148.8	77%	0.765	68%	0.684	S	S	*	*	H	α-helix	trans	-62.1	-34.5	178.3	-81.9	-161.2	171	-166.9	0	113.1	G694 K699 I700	G694-K697 PolarHBondContact O-N 2.74Å; K697-K699 PolarHBondContact O-N 3.14Å; K697-I700 PolarHBondContact O-N 2.82Å
698	R	45	Very low	48.2	Very low	221 Å²	221	151.1 Å²	151.1	83%	0.834	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	0.3	176.5	-79.3	-170.8	174.9	176.2	-1.2	115.7	R696	R696-R698 VanDerWaalsContact C-N 3.31Å; R696-R698 PolarHBondContact O-N 2.8Å
699	K	41.9	Very low	46.3	Very low	190 Å²	190	148.3 Å²	148.3	83%	0.826	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	5.5	176	-90	-157.6	170	-162.3	0	115	R696 K697	R696-K699 PolarHBondContact O-N 2.93Å; R696-K699 VanDerWaalsContact O-N 3.17Å; K697-K699 PolarHBondContact O-N 3.14Å
700	I	44.7	Very low	44.3	Very low	146 Å²	146	150.5 Å²	150.5	75%	0.749	73%	0.728	S	S	*	*	S	Bend	trans	-103.1	-18	-177.5	-66.7	176.6	0	0	0	112.4	K697	K697-I700 PolarHBondContact O-N 2.82Å
701	T	39	Very low	42.6	Very low	123 Å²	123	157.6 Å²	157.6	76%	0.755	75%	0.751	S	S	*	*	S	Bend	trans	-99.3	17.7	-170.3	-22.2	0	0	0	0	115.4
702	Q	39.1	Very low	41.2	Very low	182 Å²	182	157.9 Å²	157.9	85%	0.85	75%	0.753	S	S	*	*			trans	-144.2	95.9	176.7	-72.9	-174.6	-30	0	0	110.8
703	K	34	Very low	39.8	Very low	198 Å²	198	157.1 Å²	157.1	86%	0.861	75%	0.752	S	S	*	*			trans	-153	54.9	173	-153.5	-173.3	179.6	-169.3	0	114.3
704	R	38.3	Very low	38.9	Very low	216 Å²	216	156.4 Å²	156.4	82%	0.815	76%	0.761	S	S	*	*			trans	-156.5	134.8	165.7	-86.9	-179.4	179.5	175.3	-0.3	105
705	E	37.9	Very low	37.9	Very low	129 Å²	129	162.9 Å²	162.9	60%	0.603	78%	0.779	S	S	*	*			cis	-133.6	-159.9	-4.3	-88.2	114.9	-158.9	0	0	111.1	N792	E705-N792 PolarHBondContact O-ND2 3.27Å
706	T	36.6	Very low	37.2	Very low	98 Å²	98	159.5 Å²	159.5	60%	0.601	78%	0.775	S	S	*	*			trans	-141.9	142.7	-151.5	53.2	0	0	0	0	117.8
707	K	36.4	Very low	36.4	Very low	148 Å²	148	159.3 Å²	159.3	64%	0.643	78%	0.78	S	S	*	*			trans	64.5	159.9	159.1	-62.9	176.5	178.8	-177	0	115.7	N792	K707-N792 CarbonylContact C-O 3.58Å
708	S	34.4	Very low	35.6	Very low	110 Å²	110	159.9 Å²	159.9	77%	0.769	78%	0.782	S	S	*	*			cis	-147.5	171.2	1.6	46.8	0	0	0	0	108.7
709	G	37	Very low	35	Very low	70 Å²	70	157.1 Å²	157.1	72%	0.722	78%	0.784	S	S	*	*			cis	-178.4	-164.4	21.6	0	0	0	0	0	111
710	N	32.3	Very low	34.5	Very low	168 Å²	168	154 Å²	154	90%	0.898	78%	0.781	S	S	*	*			trans	-110.2	152	-160.9	-72.3	-34.2	0	0	0	116.7
711	K	35.3	Very low	33.9	Very low	213 Å²	213	152.5 Å²	152.5	93%	0.926	78%	0.78	S	S	*	*			trans	-153.8	152.5	132.8	-117	174.6	-175.7	179.1	0	112.1
712	K	32.2	Very low	33.5	Very low	172 Å²	172	152.9 Å²	152.9	75%	0.748	78%	0.783	S	S	*	*			trans	-95.3	-177.4	174.9	-36.2	-176.9	-175.7	-178.1	0	110
713	E	27.8	Very low	32.9	Very low	146 Å²	146	151.3 Å²	151.3	68%	0.682	78%	0.78	S	S	*	*			cis	-162.1	140.6	-3.6	-141.5	151.5	-170.4	0	0	106.4
714	T	32.3	Very low	32.8	Very low	147 Å²	147	150.8 Å²	150.8	90%	0.902	78%	0.78	S	S	*	*			trans	176.4	150.7	146.2	24	0	0	0	0	113
715	Q	29.9	Very low	32.2	Very low	182 Å²	182	146.4 Å²	146.4	85%	0.85	78%	0.781	S	S	*	*			trans	-151	169.4	169	-95.2	-164.5	17.7	0	0	107
716	P	34.4	Very low	31.8	Very low	104 Å²	104	147.7 Å²	147.7	68%	0.675	79%	0.791	S	S	*	*			cis	-130.8	174	-24.5	36.4	-21.4	0	0	0	112.3
717	K	31.2	Very low	31.6	Very low	207 Å²	207	148.4 Å²	148.4	90%	0.9	80%	0.797	S	S	*	*			trans	-134	153.3	142.7	-79.6	-163	175.7	-176.7	0	110.1
718	K	29	Very low	31.1	Very low	187 Å²	187	151.7 Å²	151.7	81%	0.813	81%	0.812	S	S	*	*			trans	-103.6	145.3	172.5	-61.9	175.4	-179.3	175.3	0	108.2
719	D	31.6	Very low	30.7	Very low	163 Å²	163	152.1 Å²	152.1	87%	0.872	81%	0.809	S	S	*	*			trans	-131.4	143.5	151.1	-75	-61.9	0	0	0	108.4
720	V	31.5	Very low	30.2	Very low	126 Å²	126	156.2 Å²	156.2	76%	0.764	81%	0.81	S	S	*	*			trans	-147.7	118.9	-176.9	172.8	0	0	0	0	107.9
721	P	31.2	Very low	29.9	Very low	114 Å²	114	159.8 Å²	159.8	74%	0.74	81%	0.81	S	S	*	*				-141.5	169.3	115.7	32.1	-14.2	0	0	0	111.8
722	T	32.3	Very low	29.5	Very low	130 Å²	130	159.5 Å²	159.5	80%	0.798	81%	0.81	S	S	*	*			cis	-147.7	160	2.8	-10.4	0	0	0	0	109.8
723	N	26.3	Very low	29.1	Very low	150 Å²	150	156.7 Å²	156.7	80%	0.802	81%	0.807	S	S	*	*			trans	-76.5	146.2	167.9	-78.6	-31.9	0	0	0	111.9
724	H	31.3	Very low	29	Very low	187 Å²	187	155.9 Å²	155.9	87%	0.866	81%	0.812	S	S	*	*			trans	-151.3	136.7	152.3	-109.1	58.6	0	0	0	110.1
725	C	24.6	Very low	28.7	Very low	123 Å²	123	156.6 Å²	156.6	83%	0.831	81%	0.809	S	S	*	*			trans	-108	121.3	-175.5	-67.8	0	0	0	0	111.6
726	I	31.1	Very low	28.7	Very low	157 Å²	157	154.6 Å²	154.6	81%	0.805	80%	0.804	S	S	*	*			trans	-138.4	141.1	171	-68.4	-171.8	0	0	0	108.5
727	P	30.9	Very low	28.3	Very low	113 Å²	113	162 Å²	162	73%	0.734	82%	0.818	S	S	*	*			trans	-88	165.7	-155.8	33.8	-37.8	0	0	0	116.7	V729	P727-V729 PolarHBondContact O-N 2.81Å; P727-V729 VanDerWaalsContact O-N 3.17Å
728	F	26.9	Very low	28.5	Very low	217 Å²	217	158.1 Å²	158.1	95%	0.952	80%	0.803	S	S	*	*			trans	-86.6	77	-169.1	-158.4	-88.9	0	0	0	113.5
729	V	25.5	Very low	28.6	Very low	118 Å²	118	159.3 Å²	159.3	72%	0.715	81%	0.809	S	S	*	*			trans	-135.9	150.4	173	-169.4	0	0	0	0	111	P727	P727-V729 PolarHBondContact O-N 2.81Å; P727-V729 VanDerWaalsContact O-N 3.17Å
730	H	26.1	Very low	28.8	Very low	157 Å²	157	155.4 Å²	155.4	73%	0.727	79%	0.79	S	S	*	*			trans	61.2	83.6	172.7	-85.8	-67	0	0	0	119
731	R	26.9	Very low	29	Very low	242 Å²	242	152.3 Å²	152.3	91%	0.913	77%	0.774	S	S	*	*			trans	-160.3	92.9	134.4	-121.8	176.5	-178.4	175.9	1.6	113.2
732	F	26.6	Very low	29.3	Very low	208 Å²	208	153.3 Å²	153.3	91%	0.912	78%	0.78	S	S	*	*			trans	-178.1	61.4	143.9	-106.7	-64.9	0	0	0	112.2
733	T	24.8	Very low	29.5	Very low	113 Å²	113	153.6 Å²	153.6	69%	0.693	78%	0.782	S	S	*	*			trans	-143.6	73.1	175.4	49	0	0	0	0	111.7
734	T	24.7	Very low	30.2	Very low	128 Å²	128	150.7 Å²	150.7	79%	0.785	77%	0.772	S	S	*	*	S	Bend	trans	-172.7	156.6	154.8	-72.9	0	0	0	0	106.9
735	L	26	Very low	30.4	Very low	162 Å²	162	143.9 Å²	143.9	85%	0.848	75%	0.752	S	S	*	*			trans	68.1	87.8	-172.1	-55.4	177.2	0	0	0	115.2
736	L	30.6	Very low	31.2	Very low	140 Å²	140	142.5 Å²	142.5	73%	0.733	74%	0.74	S	S	*	*				-178.7	83.6	121.7	-95.5	169.4	0	0	0	110.3	E738	L736-E738 HydrophobicContact CD2-CB 4.37Å; L736-E738 HydrophobicContact CD2-CG 3.67Å; L736-E738 WeakPolarHBondContact CD2-OE1 3.33Å; L736-E738 PolarHBondContact O-N 3.09Å
737	R	26.4	Very low	31.3	Very low	259 Å²	259	142.5 Å²	142.5	98%	0.977	73%	0.731	S	S	*	*			trans	-87.7	85.7	161.1	-90.6	-173.7	170.9	179.7	-2	107.9
738	E	34	Very low	31.5	Very low	126 Å²	126	141.8 Å²	141.8	59%	0.589	74%	0.735	S	S	*	*			trans	-123.7	136.8	176.1	-72.8	-173.1	179.2	0	0	112	L736 V740	L736-E738 HydrophobicContact CD2-CB 4.37Å; L736-E738 HydrophobicContact CD2-CG 3.67Å; L736-E738 WeakPolarHBondContact CD2-OE1 3.33Å; L736-E738 PolarHBondContact O-N 3.09Å; E738-V740 PolarHBondContact O-N 2.91Å
739	K	31.7	Very low	31.6	Very low	213 Å²	213	136.5 Å²	136.5	93%	0.926	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-76.7	120.1	-169.3	-63.7	176.6	179.8	176.7	0	110.8
740	V	34.8	Very low	31.7	Very low	80 Å²	80	137.2 Å²	137.2	49%	0.485	73%	0.732	S	S	.	*	P	Polyproline II helix	trans	-80.8	130.1	168.3	179.9	0	0	0	0	109.1	E738 P742 Y747	E738-V740 PolarHBondContact O-N 2.91Å; V740-P742 WeakPolarHBondContact O-CD 3.36Å; V740-Y747 HydrophobicContact CG2-CE2 4.26Å; V740-Y747 WeakPolarHBondContact CG2-OH 3.36Å
741	C	36.2	Very low	31.8	Very low	61 Å²	61	140 Å²	140	41%	0.412	74%	0.736	S	S	.	*	P	Polyproline II helix	trans	-65	122.5	170.8	178.1	0	0	0	0	109.9	V743 C744 G745	C741-V743 PolarHBondContact O-N 3.19Å; C741-C744 VanDerWaalsContact SG-SG 3.65Å; C741-G745 PolarHBondContact O-N 2.66Å
742	P	37.6	Very low	32	Very low	135 Å²	135	133.4 Å²	133.4	88%	0.877	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-16.8	-176.6	-25	34.7	0	0	0	115.1	V740	V740-P742 WeakPolarHBondContact O-CD 3.36Å
743	V	37.3	Very low	32.1	Very low	137 Å²	137	132 Å²	132	83%	0.83	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-30.3	-170.1	-173.4	0	0	0	0	113.2	C741	C741-V743 PolarHBondContact O-N 3.19Å
744	C	40.4	Very low	32.2	Very low	88 Å²	88	132.8 Å²	132.8	60%	0.595	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.5	-24	-168.1	64.5	0	0	0	0	117.1	C741 T746	C741-C744 VanDerWaalsContact SG-SG 3.65Å; C744-T746 PolarHBondContact O-N 2.86Å
745	G	34.9	Very low	32.4	Very low	44 Å²	44	135.1 Å²	135.1	45%	0.454	73%	0.727	S	S	.	*			trans	66.3	26.1	164.3	0	0	0	0	0	118.9	C741	C741-G745 PolarHBondContact O-N 2.66Å
746	T	42.1	Very low	32.5	Very low	94 Å²	94	132.2 Å²	132.2	58%	0.577	72%	0.716	S	S	*	*			trans	-112.7	159.1	171.6	50.9	0	0	0	0	112.7	C744	C744-T746 PolarHBondContact O-N 2.86Å
747	Y	33.8	Very low	32.4	Very low	157 Å²	157	133.5 Å²	133.5	62%	0.616	72%	0.718	S	S	*	*			trans	-110.5	143	-172.9	-87	-91.1	0	0	0	113.4	V740	V740-Y747 HydrophobicContact CG2-CE2 4.26Å; V740-Y747 WeakPolarHBondContact CG2-OH 3.36Å
748	A	34	Very low	32.6	Very low	99 Å²	99	127.8 Å²	127.8	82%	0.818	71%	0.707	S	S	*	*			trans	63.2	112.7	165.4	0	0	0	0	0	118.6
749	C	29	Very low	32.4	Very low	106 Å²	106	126.3 Å²	126.3	72%	0.716	71%	0.711	S	S	*	*				-178.2	121.9	84.4	-172.3	0	0	0	0	111.7
750	C	27.7	Very low	32.3	Very low	132 Å²	132	120.6 Å²	120.6	89%	0.892	70%	0.698	S	S	*	*			trans	-138.3	110	166	-71	0	0	0	0	109.9
751	R	29.7	Very low	32.2	Very low	216 Å²	216	126 Å²	126	82%	0.815	72%	0.715	S	S	*	*			trans	-166.7	137.9	163.9	-88.5	-153.1	138.4	177.3	0.3	106.1
752	D	29.5	Very low	32	Very low	104 Å²	104	128.8 Å²	128.8	56%	0.556	74%	0.735	S	S	*	*			cis	-146.1	152.3	-14.5	-79.6	-50	0	0	0	106.7
753	L	28.9	Very low	31.7	Very low	179 Å²	179	125.6 Å²	125.6	94%	0.937	73%	0.727	S	S	*	*			trans	-136.5	88.8	153.7	-82.9	-177.3	0	0	0	108.1
754	N	27.3	Very low	31.4	Very low	128 Å²	128	128.2 Å²	128.2	68%	0.684	73%	0.727	S	S	*	*			trans	-77	133.5	157.6	-71.2	-16.9	0	0	0	107.9
755	L	29.5	Very low	30.9	Very low	178 Å²	178	131.5 Å²	131.5	93%	0.932	73%	0.733	S	S	*	*			trans	-129.2	144.4	135.4	-79.4	-179.9	0	0	0	108
756	T	26.9	Very low	30.7	Very low	101 Å²	101	134.6 Å²	134.6	62%	0.62	74%	0.744	S	S	*	*			trans	-115	152.8	-171.3	41	0	0	0	0	109.4
757	E	29.2	Very low	30.2	Very low	167 Å²	167	137.6 Å²	137.6	78%	0.78	75%	0.751	S	S	*	*				174	162	109.8	-100	143	-143.5	0	0	115.2
758	D	29.9	Very low	30.1	Very low	138 Å²	138	136 Å²	136	74%	0.738	75%	0.753	S	S	*	*			trans	72.2	80	146.6	-68.1	6	0	0	0	125.6
759	S	29.6	Very low	29.9	Very low	95 Å²	95	138.8 Å²	138.8	66%	0.664	75%	0.754	S	S	*	*				87.1	127.7	99.6	83.9	0	0	0	0	124.1
760	S	29.2	Very low	29.7	Very low	94 Å²	94	138.7 Å²	138.7	66%	0.657	76%	0.755	S	S	*	*				98.1	142.4	129.8	85.9	0	0	0	0	121.6
761	K	33.3	Very low	29.6	Very low	194 Å²	194	140 Å²	140	84%	0.843	75%	0.748	S	S	*	*			trans	70.1	144.9	165.9	-57.9	170.9	-172.3	171.4	0	117.3
762	S	32.1	Very low	29.6	Very low	119 Å²	119	135.3 Å²	135.3	83%	0.832	75%	0.748	S	S	*	*			cis	-173.7	145.7	-22.2	51.5	0	0	0	0	111.3
763	G	30.5	Very low	29.5	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	76%	0.761	S	S	*	*			trans	140.9	116.8	149.5	0	0	0	0	0	118.9
764	K	31.8	Very low	29.6	Very low	192 Å²	192	142 Å²	142	84%	0.835	76%	0.758	S	S	*	*			trans	50.7	142.7	138.3	-61.8	177.6	176.9	-176.3	0	119.9
765	Q	31.1	Very low	29.6	Very low	156 Å²	156	140 Å²	140	73%	0.729	76%	0.755	S	S	*	*			cis	-156.2	156.8	-1	-126.8	164.8	-54.8	0	0	112.4
766	T	29.4	Very low	29.5	Very low	110 Å²	110	139.5 Å²	139.5	68%	0.675	75%	0.746	S	S	*	*			trans	-22.1	154.8	158.4	58.2	0	0	0	0	118.1
767	Q	32.6	Very low	29.7	Very low	156 Å²	156	141.5 Å²	141.5	73%	0.729	75%	0.748	S	S	*	*			cis	-159.6	155.6	48.6	-85.7	-171.9	-13.5	0	0	114.6
768	N	30.5	Very low	29.7	Very low	125 Å²	125	140.5 Å²	140.5	67%	0.668	74%	0.741	S	S	*	*			trans	55.2	141.2	140.7	-56.3	-1.6	0	0	0	120.4
769	N	29.7	Very low	29.6	Very low	156 Å²	156	140.1 Å²	140.1	83%	0.834	74%	0.735	S	S	*	*			cis	-146.7	160.3	6.7	-109.7	-9.4	0	0	0	111.2
770	S	25.1	Very low	29.6	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	73%	0.733	S	S	*	*			trans	-145.2	145.5	-178.3	58	0	0	0	0	113.9
771	E	26.4	Very low	29.4	Very low	161 Å²	161	142.8 Å²	142.8	75%	0.752	73%	0.734	S	S	*	*			trans	47.3	123.9	154.5	-60	-164.5	134.2	0	0	122
772	S	30.2	Very low	29.2	Very low	116 Å²	116	144.2 Å²	144.2	81%	0.811	74%	0.736	S	S	*	*				179.5	141.1	116.5	37.7	0	0	0	0	109.6
773	R	26.5	Very low	28.9	Very low	218 Å²	218	147.9 Å²	147.9	82%	0.823	73%	0.733	S	S	*	*			cis	77.4	108	31	-81.8	-172.6	164.3	169.3	-3.2	116.7
774	K	30.1	Very low	28.8	Very low	205 Å²	205	155 Å²	155	89%	0.891	74%	0.739	S	S	*	*			trans	-179.7	151.2	151.5	-98.4	156.3	-174.7	177.7	0	107.1
775	S	28.2	Very low	28.6	Very low	88 Å²	88	153 Å²	153	62%	0.615	73%	0.734	S	S	*	*			cis	-171.9	147.4	-26.5	35.1	0	0	0	0	106.2
776	F	28.1	Very low	28.2	Very low	167 Å²	167	154.4 Å²	154.4	73%	0.732	74%	0.738	S	S	*	*				-175.9	141.5	95	-109.9	-108.8	0	0	0	110.1
777	Q	29.9	Very low	28	Very low	143 Å²	143	153.1 Å²	153.1	67%	0.668	73%	0.733	S	S	*	*				41	140.8	129.2	-65.2	-170.6	13	0	0	120.4
778	K	28.7	Very low	27.6	Very low	145 Å²	145	156.4 Å²	156.4	63%	0.63	74%	0.739	S	S	*	*			cis	-168.2	167.9	21.8	-114.9	170.6	178.2	-66.6	0	107.7
779	E	28.7	Very low	27.3	Very low	131 Å²	131	156 Å²	156	61%	0.612	74%	0.737	S	S	*	*			cis	-165.6	-172.5	-15.6	-141.5	160.5	-133.9	0	0	111.4
780	N	29	Very low	27.1	Very low	116 Å²	116	155.5 Å²	155.5	62%	0.62	73%	0.73	S	S	*	*			trans	18.4	132.8	157.2	-66.2	-38.5	0	0	0	122.6
781	N	26.3	Very low	27.1	Very low	129 Å²	129	155.9 Å²	155.9	69%	0.69	72%	0.72	S	S	*	*			cis	103.4	125.8	32.3	-85	-42.5	0	0	0	113.9
782	Y	27.4	Very low	27.1	Very low	224 Å²	224	151.9 Å²	151.9	88%	0.878	70%	0.704	S	S	*	*				-170.6	167.9	126.7	-111.3	-74.1	0	0	0	113.8
783	Y	25.8	Very low	26.8	Very low	196 Å²	196	148.6 Å²	148.6	77%	0.769	69%	0.688	S	S	*	*			trans	-87.8	-176.1	-170.1	-80.6	-104.2	0	0	0	113.7
784	R	29.8	Very low	26.8	Very low	217 Å²	217	145.4 Å²	145.4	82%	0.819	68%	0.677	S	S	*	*			cis	-165.5	142.7	23.7	-143.3	163.5	-167.1	173.7	4.7	113.6
785	M	26.9	Very low	26.6	Very low	151 Å²	151	144.3 Å²	144.3	74%	0.744	67%	0.673	S	S	*	*			trans	23.3	158.3	135.9	-54.7	-175	80	0	0	123.3
786	F	23.5	Very low	26.4	Very low	184 Å²	184	144 Å²	144	81%	0.807	67%	0.67	S	S	*	*			cis	-175.9	157.8	-31.1	-126.9	-73.2	0	0	0	110.9
787	S	24.5	Very low	26.3	Very low	83 Å²	83	143.8 Å²	143.8	58%	0.58	68%	0.677	S	S	*	*			trans	73.5	114.9	148.9	-70.7	0	0	0	0	125.6
788	R	24.5	Very low	26	Very low	225 Å²	225	140.8 Å²	140.8	85%	0.849	68%	0.684	S	S	*	*				63	154.4	126.6	-67	177.5	179.2	169.5	1	120.3
789	N	23.9	Very low	25.7	Very low	116 Å²	116	140.7 Å²	140.7	62%	0.62	70%	0.695	S	S	*	*			cis	-164.3	142	9.5	-126.5	-4.7	0	0	0	113.2
790	Q	25.2	Very low	25.5	Very low	146 Å²	146	142.2 Å²	142.2	68%	0.682	71%	0.706	S	S	*	*			trans	61.8	161.3	143.4	-63.7	179.9	37	0	0	121
791	Q	25	Very low	25.2	Very low	112 Å²	112	141 Å²	141	52%	0.523	71%	0.706	S	S	.	*			cis	-159.5	157.2	-8.1	-121.9	-172.6	89.2	0	0	112.4
792	N	26	Very low	25.2	Very low	77 Å²	77	143.4 Å²	143.4	41%	0.412	71%	0.711	S	S	.	*			trans	42.4	150.4	153.1	-52.5	-12.5	0	0	0	123.3	E705 K707	E705-N792 PolarHBondContact O-ND2 3.27Å; K707-N792 CarbonylContact C-O 3.58Å
793	G	25.2	Very low	25	Very low	47 Å²	47	140.9 Å²	140.9	49%	0.485	71%	0.705	S	S	.	*			cis	147.5	167.3	-1.8	0	0	0	0	0	113.9
794	Y	25.9	Very low	25	Very low	152 Å²	152	140.9 Å²	140.9	60%	0.596	71%	0.709	S	S	*	*			trans	110.9	117	160.1	-77.1	-102.4	0	0	0	122.8
795	F	26.5	Very low	24.8	Very low	181 Å²	181	134.2 Å²	134.2	79%	0.794	70%	0.696	S	S	*	*			trans	60.1	155.5	133.9	-78.8	-124.3	0	0	0	121.2
796	S	24.3	Very low	24.7	Very low	81 Å²	81	137.2 Å²	137.2	57%	0.566	70%	0.7	S	S	*	*			cis	-171	157.5	-13.2	46.1	0	0	0	0	112.5
797	D	24.6	Very low	24.9	Very low	164 Å²	164	136.5 Å²	136.5	88%	0.877	70%	0.697	S	S	*	*			trans	54.1	149	154.9	-51.9	-23.7	0	0	0	122.3
798	G	23.3	Very low	25.1	Very low	79 Å²	79	139.3 Å²	139.3	81%	0.814	71%	0.705	S	S	*	*			trans	157.6	129.1	170	0	0	0	0	0	115.6
799	V	23	Very low	25.2	Very low	143 Å²	143	133 Å²	133	87%	0.867	70%	0.696	S	S	*	*			trans	-103.1	170.3	-172.7	-169.3	0	0	0	0	111.6
800	I	25.5	Very low	25.4	Very low	164 Å²	164	132.9 Å²	132.9	84%	0.841	70%	0.704	S	S	*	*			trans	110.3	149.6	157.3	-57.9	177.4	0	0	0	116
801	S	22.3	Very low	25.5	Very low	89 Å²	89	131.6 Å²	131.6	62%	0.622	71%	0.711	S	S	*	*			trans	-113.4	166.4	-170.7	65.1	0	0	0	0	112.1
802	F	24.8	Very low	25.6	Very low	181 Å²	181	131.7 Å²	131.7	79%	0.794	72%	0.719	S	S	*	*				-167.6	-177.5	116.7	-117.2	-88.2	0	0	0	113
803	K	23.7	Very low	25.7	Very low	170 Å²	170	137.4 Å²	137.4	74%	0.739	74%	0.741	S	S	*	*			trans	-99.2	173.7	-158.7	-56.2	166	175	170.5	0	114.7
804	K	26.3	Very low	26	Very low	196 Å²	196	139 Å²	139	85%	0.852	75%	0.75	S	S	*	*			trans	79.3	154.2	150.1	-76.1	-177.9	174.5	-175.3	0	118.8
805	S	25	Very low	26.1	Very low	78 Å²	78	138.9 Å²	138.9	55%	0.545	76%	0.759	S	S	.	*			cis	179.7	146.7	-31.1	53.2	0	0	0	0	112.4
806	Y	25.8	Very low	26.1	Very low	213 Å²	213	138 Å²	138	84%	0.835	76%	0.758	S	S	*	*			trans	66.5	161.1	166	-64.6	-67.4	0	0	0	116.2
807	K	28.2	Very low	26.3	Very low	170 Å²	170	140.9 Å²	140.9	74%	0.739	76%	0.762	S	S	*	*			cis	-157.1	149.9	5.8	-136.7	168.9	-176.2	-176.6	0	110.2
808	N	27.1	Very low	26.4	Very low	141 Å²	141	141.4 Å²	141.4	75%	0.754	76%	0.759	S	S	*	*			trans	41	153.2	142.6	-68.3	26.4	0	0	0	122.7
809	S	27.9	Very low	26.8	Very low	93 Å²	93	142.7 Å²	142.7	65%	0.65	75%	0.753	S	S	*	*			cis	-172.5	164.2	-2.5	39.9	0	0	0	0	113.2
810	S	27.3	Very low	27	Very low	114 Å²	114	143.4 Å²	143.4	80%	0.797	75%	0.752	S	S	*	*			trans	66.1	153.3	156.7	36	0	0	0	0	119.3
811	S	28.6	Very low	27	Very low	118 Å²	118	144 Å²	144	83%	0.825	75%	0.754	S	S	*	*			cis	-147.2	174.8	8.1	46.7	0	0	0	0	115.3
812	T	26.4	Very low	27.1	Very low	114 Å²	114	146.3 Å²	146.3	70%	0.699	76%	0.764	S	S	*	*			trans	-61.8	154.5	-171.1	47	0	0	0	0	121.6
813	F	29.1	Very low	27.2	Very low	198 Å²	198	143.6 Å²	143.6	87%	0.868	77%	0.766	S	S	*	*				176.4	120.5	118.3	-92.4	-73.2	0	0	0	107.9
814	A	29.9	Very low	27.3	Very low	81 Å²	81	143.2 Å²	143.2	67%	0.669	77%	0.771	S	S	*	*				63.9	138.1	83.1	0	0	0	0	0	115.1
815	N	27.9	Very low	27.2	Very low	148 Å²	148	143.7 Å²	143.7	79%	0.791	77%	0.773	S	S	*	*			cis	-163.9	-178.3	-6.6	-128.2	16.9	0	0	0	111.5
816	Q	28.1	Very low	27.5	Very low	164 Å²	164	145.2 Å²	145.2	77%	0.766	78%	0.781	S	S	*	*			trans	73.9	144.7	169.1	-43.8	-158.2	-99	0	0	117.4
817	E	27	Very low	27.5	Very low	141 Å²	141	144.4 Å²	144.4	66%	0.659	78%	0.782	S	S	*	*			cis	-159.8	-176.2	-25.3	-127.5	76.3	-94.4	0	0	105
818	E	26.3	Very low	27.6	Very low	175 Å²	175	143.1 Å²	143.1	82%	0.818	78%	0.783	S	S	*	*			cis	-149.8	174.8	5.2	-112.2	-85.6	103	0	0	107
819	P	32.1	Very low	27.6	Very low	105 Å²	105	145.7 Å²	145.7	68%	0.682	79%	0.788	S	S	*	*			trans	-119	172.9	-157.1	43	-36.6	0	0	0	119.8
820	D	27	Very low	27.5	Very low	159 Å²	159	149.8 Å²	149.8	85%	0.85	80%	0.797	S	S	*	*			trans	-77.4	168.5	175.8	-63.2	-71.9	0	0	0	116.1
821	M	26.4	Very low	27.4	Very low	177 Å²	177	155.6 Å²	155.6	87%	0.872	80%	0.801	S	S	*	*			trans	-148.6	125.6	147.5	-99.6	-95.1	-163.7	0	0	112.9
822	V	24.4	Very low	27.4	Very low	137 Å²	137	154.4 Å²	154.4	83%	0.83	79%	0.793	S	S	*	*				169.8	110.6	119.9	159.1	0	0	0	0	109.1
823	C	26.5	Very low	27.6	Very low	124 Å²	124	157.2 Å²	157.2	84%	0.838	80%	0.803	S	S	*	*				178.9	143.5	118.4	-151.5	0	0	0	0	110.1
824	L	26.1	Very low	27.6	Very low	161 Å²	161	156.4 Å²	156.4	84%	0.843	80%	0.802	S	S	*	*			trans	-119.7	136.5	-176.5	-80.1	167.8	0	0	0	112.6
825	K	25.3	Very low	27.5	Very low	206 Å²	206	159.4 Å²	159.4	90%	0.896	81%	0.813	S	S	*	*			trans	-147.4	150.6	133.4	-101.5	-178.1	-174.2	-177	0	109.3
826	P	29.7	Very low	27.6	Very low	110 Å²	110	157.3 Å²	157.3	71%	0.714	81%	0.809	S	S	*	*			trans	-108	149.4	-147.6	38.1	-33.7	0	0	0	115.6
827	F	27.2	Very low	27.7	Very low	197 Å²	197	155.2 Å²	155.2	86%	0.864	81%	0.808	S	S	*	*			trans	-156.3	134.2	148.9	-110.5	-76.3	0	0	0	111.2
828	N	28.6	Very low	27.9	Very low	142 Å²	142	156.1 Å²	156.1	76%	0.759	82%	0.817	S	S	*	*			trans	11.7	116.8	166.8	-56.7	-7.2	0	0	0	121.1
829	K	27.6	Very low	28.1	Very low	196 Å²	196	152.6 Å²	152.6	85%	0.852	81%	0.812	S	S	*	*			trans	-67.7	133.9	145.4	-71.9	-178.1	175.8	-176.8	0	108.4
830	Q	25.4	Very low	28.2	Very low	179 Å²	179	155.8 Å²	155.8	84%	0.836	82%	0.817	S	S	*	*				73.4	101.7	61	-76.7	-169.5	-30.4	0	0	115.6
831	R	25.2	Very low	28.5	Very low	235 Å²	235	156.7 Å²	156.7	89%	0.887	82%	0.816	S	S	*	*			trans	-59.4	163.2	136.5	-77.7	-178.3	177.6	179.9	-2.2	109.7
832	S	30.2	Very low	28.7	Very low	93 Å²	93	154.3 Å²	154.3	65%	0.65	81%	0.812	S	S	*	*			cis	-179.1	147	-16.1	50.9	0	0	0	0	107.1
833	N	28.9	Very low	29	Very low	173 Å²	173	155.2 Å²	155.2	93%	0.925	81%	0.811	S	S	*	*			trans	-103.2	159.4	170.3	-86.6	5.3	0	0	0	112.6
834	Q	29	Very low	29.3	Very low	181 Å²	181	158.7 Å²	158.7	85%	0.846	82%	0.815	S	S	*	*			trans	-116.4	166.3	-165.6	-54.1	167.6	-52.8	0	0	112.1
835	T	29.5	Very low	29.5	Very low	145 Å²	145	154.7 Å²	154.7	89%	0.89	81%	0.813	S	S	*	*			trans	-141.9	155.6	136.7	16.9	0	0	0	0	110.8
836	S	29.3	Very low	29.8	Very low	103 Å²	103	153.3 Å²	153.3	72%	0.72	82%	0.815	S	S	*	*			trans	-53	159.4	-177.9	50.4	0	0	0	0	115.6
837	T	30.9	Very low	29.8	Very low	121 Å²	121	152 Å²	152	74%	0.742	82%	0.821	S	S	*	*				-155.7	170.8	58.1	37.5	0	0	0	0	116.8
838	L	30.2	Very low	29.9	Very low	159 Å²	159	147.9 Å²	147.9	83%	0.832	82%	0.824	S	S	*	*			trans	-18.3	149.6	174.1	-58.6	91.1	0	0	0	119
839	S	31.7	Very low	29.9	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	83%	0.831	S	S	*	*				-169.6	163.5	50	46.3	0	0	0	0	116.1
840	Q	33.1	Very low	30	Very low	171 Å²	171	139.4 Å²	139.4	80%	0.799	83%	0.826	S	S	*	*			trans	59.7	109.7	154.9	-73.3	175.3	-31.9	0	0	123.6
841	E	32.6	Very low	30.3	Very low	178 Å²	178	142.5 Å²	142.5	83%	0.832	83%	0.83	S	S	*	*				40.3	142.9	98.1	-71.3	178.4	-173.6	0	0	120.5
842	T	32	Very low	30.4	Very low	128 Å²	128	138.4 Å²	138.4	79%	0.785	83%	0.825	S	S	*	*			cis	-156	177.8	5.2	-92.4	0	0	0	0	111.9
843	L	30.8	Very low	30.5	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	84%	0.837	S	S	*	*			trans	-87.3	176.2	-170.3	-67.6	155.9	0	0	0	117.2
844	Q	31.9	Very low	30.5	Very low	198 Å²	198	142.2 Å²	142.2	93%	0.925	83%	0.829	S	S	*	*			trans	94.7	141	154	-65.3	-178.1	-19.2	0	0	120.2
845	G	30.6	Very low	30.6	Very low	76 Å²	76	142.1 Å²	142.1	78%	0.784	83%	0.826	S	S	*	*			trans	149	84.1	170.2	0	0	0	0	0	115.2
846	D	31.2	Very low	30.7	Very low	177 Å²	177	140.6 Å²	140.6	95%	0.947	82%	0.816	S	S	*	*			trans	-82.9	154.7	169.8	-69	-70.1	0	0	0	112.3
847	G	30.2	Very low	30.7	Very low	82 Å²	82	141.5 Å²	141.5	85%	0.845	82%	0.817	S	S	*	*			trans	163.8	141.5	167.7	0	0	0	0	0	114.3
848	A	29.4	Very low	30.8	Very low	112 Å²	112	143.3 Å²	143.3	93%	0.926	82%	0.815	S	S	*	*			trans	-131.6	149.1	-174.1	0	0	0	0	0	114.2
849	G	28.7	Very low	30.9	Very low	87 Å²	87	142 Å²	142	90%	0.897	81%	0.805	S	S	*	*			trans	123.5	137.7	147.8	0	0	0	0	0	117.6
850	G	29	Very low	30.8	Very low	72 Å²	72	142.7 Å²	142.7	74%	0.742	80%	0.801	S	S	*	*			trans	136.2	92	145.4	0	0	0	0	0	120
851	R	31.4	Very low	30.6	Very low	244 Å²	244	142.4 Å²	142.4	92%	0.921	80%	0.797	S	S	*	*			trans	62.1	111.4	136	-60.5	176	-179.1	164.3	1	121.3
852	N	27.9	Very low	30.5	Very low	149 Å²	149	142.9 Å²	142.9	80%	0.797	80%	0.796	S	S	*	*			trans	-9.2	142.8	141.8	-49.2	-6.8	0	0	0	119.1
853	K	33	Very low	30.7	Very low	208 Å²	208	142.3 Å²	142.3	90%	0.904	80%	0.795	S	S	*	*				-159.2	158.4	116	-108.7	170.1	-175.9	-177.7	0	112.1
854	N	29.1	Very low	30.6	Very low	139 Å²	139	142.5 Å²	142.5	74%	0.743	80%	0.796	S	S	*	*			trans	-96.5	161.9	-174.4	-49.7	-25.4	0	0	0	111.5
855	F	30.9	Very low	30.4	Very low	179 Å²	179	138.9 Å²	138.9	79%	0.785	78%	0.783	S	S	*	*				171.7	138.6	108.3	-107.9	-91.4	0	0	0	113
856	T	30.1	Very low	30.3	Very low	112 Å²	112	142.8 Å²	142.8	69%	0.687	78%	0.781	S	S	*	*			trans	34.8	146.6	148.1	50.4	0	0	0	0	121.6
857	T	30.9	Very low	30.2	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	76%	0.763	S	S	*	*			cis	-162.9	174.6	13.5	1.9	0	0	0	0	107
858	K	31.4	Very low	30.1	Very low	159 Å²	159	144.7 Å²	144.7	69%	0.691	76%	0.758	S	S	*	*			cis	-169.8	152.8	27.5	-130.6	169.3	169.4	-114.9	0	107.9
859	E	32.1	Very low	30.1	Very low	132 Å²	132	147.1 Å²	147.1	62%	0.617	76%	0.756	S	S	*	*			trans	63.7	151.2	150.9	-64.7	171.7	-134.5	0	0	119.8
860	N	30.1	Very low	30	Very low	117 Å²	117	150.4 Å²	150.4	63%	0.626	75%	0.752	S	S	*	*			cis	-161.8	151.7	-13.6	-111.2	-21.8	0	0	0	112.4
861	F	30.4	Very low	30.3	Very low	165 Å²	165	152.2 Å²	152.2	72%	0.724	75%	0.75	S	S	*	*			trans	51.2	114.4	155.4	-76.4	-108.9	0	0	0	120.6
862	K	29.3	Very low	30.2	Very low	187 Å²	187	148.9 Å²	148.9	81%	0.813	74%	0.743	S	S	*	*				86.5	134.5	82	-87.8	-158.7	-177.2	-178.9	0	116.2
863	P	36.3	Very low	30.3	Very low	117 Å²	117	148.3 Å²	148.3	76%	0.76	74%	0.738	S	S	*	*			trans	-108	154.9	172.5	39.2	-32.4	0	0	0	114.6
864	L	29.2	Very low	30.1	Very low	158 Å²	158	144.7 Å²	144.7	83%	0.827	73%	0.729	S	S	*	*			trans	177.3	136.4	143	-101.5	160.4	0	0	0	114.3
865	N	27.5	Very low	30.2	Very low	122 Å²	122	145.6 Å²	145.6	65%	0.652	73%	0.732	S	S	*	*			trans	22.6	136.4	149.2	-72.4	20	0	0	0	125.1
866	Q	29	Very low	30.1	Very low	159 Å²	159	140 Å²	140	74%	0.743	73%	0.725	S	S	*	*			trans	70.8	147.3	139.7	-66.8	-179.2	-85.7	0	0	119.3
867	D	27.8	Very low	30	Very low	106 Å²	106	139.8 Å²	139.8	57%	0.567	73%	0.728	S	S	*	*			cis	-158.9	167.6	-9.8	-124	-37.1	0	0	0	112.4
868	Y	28.1	Very low	29.9	Very low	193 Å²	193	140.2 Å²	140.2	76%	0.757	73%	0.726	S	S	*	*			trans	44.8	120.2	164.6	-64.3	-66.7	0	0	0	122.9
869	N	29.7	Very low	29.8	Very low	163 Å²	163	142 Å²	142	87%	0.872	73%	0.73	S	S	*	*				-169.4	158.4	100.9	-102.8	-59.6	0	0	0	115
870	L	26.6	Very low	29.4	Very low	155 Å²	155	142.5 Å²	142.5	81%	0.812	74%	0.735	S	S	*	*			trans	-120.3	155.6	-178.3	-92.3	164.9	0	0	0	109.6
871	P	34.7	Very low	29.2	Very low	110 Å²	110	145.3 Å²	145.3	71%	0.714	75%	0.746	S	S	*	*				-149.2	-178.7	77.1	35.8	-12.2	0	0	0	114
872	K	30.4	Very low	29.1	Very low	174 Å²	174	144.3 Å²	144.3	76%	0.757	75%	0.749	S	S	*	*			cis	-154.8	147	33.6	-74.4	178.8	175.2	177.6	0	113.3
873	I	30.2	Very low	29.4	Very low	138 Å²	138	140 Å²	140	71%	0.708	74%	0.74	S	S	*	*			trans	55	131.7	132.9	-56.7	169.6	0	0	0	118.2
874	N	27.8	Very low	28.9	Very low	131 Å²	131	143 Å²	143	70%	0.701	74%	0.741	S	S	*	*			cis	-119.4	140.5	14.9	-90.9	-51.1	0	0	0	111.4
875	I	32.2	Very low	28.7	Very low	158 Å²	158	142 Å²	142	81%	0.81	74%	0.735	S	S	*	*				55.8	117.8	80.6	-51.6	178.3	0	0	0	113.5
876	G	28.7	Very low	28.6	Very low	63 Å²	63	143.6 Å²	143.6	65%	0.649	74%	0.739	S	S	*	*			cis	177.4	162.7	-6	0	0	0	0	0	115.9
877	S	28.6	Very low	28.3	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	74%	0.736	S	S	*	*			trans	2	154	147.2	53.9	0	0	0	0	121.6
878	N	27.5	Very low	28.3	Very low	132 Å²	132	148.8 Å²	148.8	71%	0.706	75%	0.752	S	S	*	*			cis	-173.5	-178.1	-4.8	-101.7	-19.3	0	0	0	110.3
879	Y	29.8	Very low	28.1	Very low	197 Å²	197	150.5 Å²	150.5	77%	0.773	76%	0.757	S	S	*	*			trans	81.9	100.6	152.7	-69.7	-63.4	0	0	0	122
880	I	24.4	Very low	28.2	Very low	141 Å²	141	149.1 Å²	149.1	72%	0.723	76%	0.755	S	S	*	*				59.6	135	110.9	-68.5	-170.9	0	0	0	121.3
881	M	24.4	Very low	28.3	Very low	176 Å²	176	150.6 Å²	150.6	87%	0.867	76%	0.758	S	S	*	*			trans	83.5	137.3	160.5	-81.9	-60.5	179.8	0	0	121.6
882	N	28	Very low	28.2	Very low	144 Å²	144	151.4 Å²	151.4	77%	0.77	77%	0.766	S	S	*	*			trans	-72.8	165.6	156.1	-123.7	-14.7	0	0	0	108.8
883	P	36.4	Very low	28.1	Very low	96 Å²	96	147.7 Å²	147.7	62%	0.623	77%	0.767	S	S	*	*			cis	-146.6	-175.8	21.5	42.4	-21.6	0	0	0	117.7
884	F	25.8	Very low	28.5	Very low	180 Å²	180	146.4 Å²	146.4	79%	0.789	77%	0.768	S	S	*	*			trans	62.7	129.5	143.8	-83.5	-50.9	0	0	0	123.5
885	I	25.4	Very low	28.6	Very low	137 Å²	137	145.2 Å²	145.2	70%	0.703	77%	0.77	S	S	*	*			trans	92.3	123.4	136	-70.6	168.9	0	0	0	121.2
886	H	24.4	Very low	28.5	Very low	157 Å²	157	144.8 Å²	144.8	73%	0.727	77%	0.77	S	S	*	*			trans	61.9	105.4	155	-70.3	-31.2	0	0	0	124.8
887	I	24.2	Very low	28.7	Very low	134 Å²	134	149.5 Å²	149.5	69%	0.687	77%	0.772	S	S	*	*				47.8	112.4	113.1	-55.7	170.7	0	0	0	119
888	R	26.8	Very low	28.7	Very low	240 Å²	240	154 Å²	154	91%	0.906	77%	0.774	S	S	*	*				-163.9	126	126.1	-97.2	162.1	-167.3	-149.7	4.3	107
889	R	25.1	Very low	28.8	Very low	228 Å²	228	154.5 Å²	154.5	86%	0.86	78%	0.777	S	S	*	*				77.4	93.5	63.7	-88	-167.8	171.4	177	-1.3	115.1
890	T	29.9	Very low	28.6	Very low	135 Å²	135	151.9 Å²	151.9	83%	0.828	78%	0.776	S	S	*	*			trans	-136.9	143.9	136	44.7	0	0	0	0	105.5
891	Q	29.1	Very low	28.8	Very low	186 Å²	186	153.5 Å²	153.5	87%	0.869	79%	0.785	S	S	*	*			cis	148.9	106.4	-8.2	-107.6	-171.7	-4	0	0	104.9
892	S	32.1	Very low	28.9	Very low	127 Å²	127	152 Å²	152	89%	0.888	78%	0.779	S	S	*	*			trans	-143.6	156.7	148	59.4	0	0	0	0	107.8
893	A	28.6	Very low	28.9	Very low	95 Å²	95	153.9 Å²	153.9	79%	0.785	78%	0.781	S	S	*	*			trans	-152.6	-176.1	-165.3	0	0	0	0	0	107.6
894	P	39.2	Very low	28.5	Very low	111 Å²	111	156 Å²	156	72%	0.721	79%	0.787	S	S	*	*			cis	-144.8	172.5	10.4	42.9	-24	0	0	0	118.7
895	S	30.7	Very low	28.7	Very low	107 Å²	107	155 Å²	155	75%	0.748	79%	0.79	S	S	*	*			trans	72.6	155.4	154.5	83	0	0	0	0	117.5
896	N	30.3	Very low	29	Very low	149 Å²	149	157.4 Å²	157.4	80%	0.797	80%	0.795	S	S	*	*			cis	-153.2	172.8	15.1	-148.5	-20.5	0	0	0	114
897	K	31.6	Very low	29	Very low	162 Å²	162	160 Å²	160	70%	0.704	80%	0.804	S	S	*	*			trans	87.3	112.4	162.5	-80.1	-175.9	172.2	179.2	0	122.6
898	Y	29.1	Very low	29.2	Very low	200 Å²	200	161.2 Å²	161.2	78%	0.784	81%	0.81	S	S	*	*			trans	91.8	159.3	141.5	-72.6	-55.9	0	0	0	122.1
899	N	30	Very low	29.1	Very low	142 Å²	142	154.6 Å²	154.6	76%	0.759	80%	0.801	S	S	*	*			trans	-124.9	166.4	-133.8	-98.8	-25.3	0	0	0	114.8
900	L	24.8	Very low	29.2	Very low	143 Å²	143	153.3 Å²	153.3	75%	0.749	80%	0.802	S	S	*	*			trans	-49.3	151.6	173.2	-60	79.7	0	0	0	114.1
901	L	28.9	Very low	29	Very low	175 Å²	175	155.5 Å²	155.5	92%	0.916	80%	0.8	S	S	*	*				-151.4	144.6	118.7	-112.2	167.9	0	0	0	111.4
902	L	25.9	Very low	28.8	Very low	143 Å²	143	154.7 Å²	154.7	75%	0.749	80%	0.802	S	S	*	*			trans	-123.3	123.9	-177.8	-97.9	163.7	0	0	0	109.3
903	K	28	Very low	28.5	Very low	184 Å²	184	154.9 Å²	154.9	80%	0.8	79%	0.792	S	S	*	*				170.9	155.1	126.1	-96	165.9	-177.1	177.8	0	113.6
904	N	28	Very low	28.3	Very low	142 Å²	142	156.1 Å²	156.1	76%	0.759	79%	0.786	S	S	*	*			trans	56.8	98	154.7	-58.6	-5	0	0	0	118.6
905	N	31.1	Very low	27.7	Very low	157 Å²	157	159.2 Å²	159.2	84%	0.84	79%	0.793	S	S	*	*				-146.8	166.4	122.2	-122.9	-42.9	0	0	0	113.6
906	K	31.7	Very low	27.4	Very low	189 Å²	189	162.1 Å²	162.1	82%	0.822	79%	0.792	S	S	*	*			trans	-70.9	151.1	-152.1	-66.5	166.8	179.6	174.3	0	115.8
907	K	24.5	Very low	27.1	Very low	210 Å²	210	163 Å²	163	91%	0.913	79%	0.791	S	S	*	*			trans	-60.5	128.7	163.9	-62.4	173.4	179	176.6	0	110.6
908	I	28.5	Very low	26.9	Very low	160 Å²	160	164.3 Å²	164.3	82%	0.821	80%	0.797	S	S	*	*			trans	-129.9	133.8	137.7	-65.1	-175	0	0	0	106.4
909	S	24.4	Very low	26.6	Very low	101 Å²	101	162.6 Å²	162.6	71%	0.706	79%	0.794	S	S	*	*			trans	-89.8	128.4	-173.6	51.4	0	0	0	0	112.2
910	F	26.7	Very low	26.4	Very low	201 Å²	201	163.6 Å²	163.6	88%	0.882	79%	0.791	S	S	*	*			trans	-122	119.3	152.5	-97.4	-85.4	0	0	0	109.7	N912	F910-N912 PolarHBondContact O-N 3.43Å
911	F	25.1	Very low	26.3	Very low	182 Å²	182	164.6 Å²	164.6	80%	0.798	79%	0.79	S	S	*	*			trans	-69.9	113.7	167.7	-93.6	-101	0	0	0	108.8	L913	F911-L913 HydrophobicContact CD1-CG 4.43Å
912	N	25.6	Very low	26.1	Very low	169 Å²	169	166 Å²	166	90%	0.904	79%	0.785	S	S	*	*			trans	-91.7	103.2	152.8	-100.2	-32.2	0	0	0	107.3	F910 D914	F910-N912 PolarHBondContact O-N 3.43Å; N912-D914 PolarHBondContact O-N 3.08Å
913	L	26.9	Very low	26.1	Very low	130 Å²	130	165.7 Å²	165.7	68%	0.681	78%	0.784	S	S	*	*			trans	-77	103.8	179.2	-108.3	164	0	0	0	109.9	F911 M915	F911-L913 HydrophobicContact CD1-CG 4.43Å; L913-M915 PolarHBondContact O-N 2.76Å
914	D	24	Very low	25.8	Very low	122 Å²	122	165.3 Å²	165.3	65%	0.652	78%	0.782	S	S	*	*			trans	-61.2	123.7	159.7	-174.2	-0.7	0	0	0	108.3	N912 K916	N912-D914 PolarHBondContact O-N 3.08Å; D914-K916 PolarHBondContact OD1-N 2.62Å
915	M	26.3	Very low	25.7	Very low	175 Å²	175	165.3 Å²	165.3	86%	0.862	78%	0.782	S	S	*	*			trans	-117.8	58.3	175.1	-103.8	-150.2	175.9	0	0	111.7	L913	L913-M915 PolarHBondContact O-N 2.76Å
916	K	23.7	Very low	25.4	Very low	169 Å²	169	164 Å²	164	74%	0.735	77%	0.774	S	S	*	*			trans	-75.3	159.8	145	-73	174.6	178.9	171.4	0	110.5	D914	D914-K916 PolarHBondContact OD1-N 2.62Å
917	Q	25.1	Very low	25.2	Very low	168 Å²	168	161.4 Å²	161.4	79%	0.785	77%	0.77	S	S	*	*			trans	67.2	90	178	-50.1	-170.2	36.3	0	0	116.5
918	K	25.9	Very low	25.3	Very low	189 Å²	189	158 Å²	158	82%	0.822	76%	0.761	S	S	*	*				-102.2	109.7	128.7	-87.7	-165.3	170.9	-168.4	0	108.6	F920	K918-F920 PolarHBondContact O-N 3.39Å
919	K	23.7	Very low	25.1	Very low	164 Å²	164	157 Å²	157	71%	0.713	77%	0.767	S	S	*	*			trans	-70.7	122.6	158.2	-69.8	178.8	178.8	178.1	0	107.1
920	F	25.1	Very low	25.1	Very low	162 Å²	162	157 Å²	157	71%	0.711	77%	0.767	S	S	*	*			trans	-94.9	118.1	151.4	-98.5	-84.6	0	0	0	107.5	K918 Y922	K918-F920 PolarHBondContact O-N 3.39Å; F920-Y922 PolarHBondContact O-N 3.18Å
921	F	23.2	Very low	25.2	Very low	165 Å²	165	153.5 Å²	153.5	72%	0.724	76%	0.764	S	S	*	*			trans	-72	112.4	154.7	-86.6	-100.9	0	0	0	106.4
922	Y	25.1	Very low	25.3	Very low	205 Å²	205	153 Å²	153	80%	0.804	77%	0.769	S	S	*	*			trans	-95	113.7	145.4	-106.4	-82.5	0	0	0	106.1	F920	F920-Y922 PolarHBondContact O-N 3.18Å
923	N	25.1	Very low	25.4	Very low	135 Å²	135	153.6 Å²	153.6	72%	0.722	77%	0.767	S	S	*	*			trans	-68.2	148.9	171.2	-88.1	-10.8	0	0	0	109.4	D925	N923-D925 PolarHBondContact O-N 3.03Å
924	F	22.8	Very low	25.3	Very low	177 Å²	177	154.5 Å²	154.5	78%	0.776	77%	0.772	S	S	*	*			trans	-62.4	123.9	161.3	-86.9	-113.1	0	0	0	109.1	L926	F924-L926 HydrophobicContact CD1-CB 4.4Å; F924-L926 HydrophobicContact CD1-CD1 3.62Å; F924-L926 HydrophobicContact CD1-CG 3.81Å; F924-L926 HydrophobicContact CE1-CD1 3.86Å; F924-L926 HydrophobicContact CE1-CG 4.35Å
925	D	24.4	Very low	25.6	Very low	142 Å²	142	156.5 Å²	156.5	76%	0.759	78%	0.783	S	S	*	*			trans	-108.8	78.6	152.4	-141.8	-40	0	0	0	107.7	N923 N927	N923-D925 PolarHBondContact O-N 3.03Å; D925-N927 PolarHBondContact O-N 2.71Å; D925-N927 PolarHBondContact OD1-ND2 2.82Å
926	L	25.8	Very low	25.5	Very low	128 Å²	128	154.9 Å²	154.9	67%	0.67	78%	0.778	S	S	*	*			trans	-84.4	84.7	171.3	-102.2	178.6	0	0	0	108.4	F924	F924-L926 HydrophobicContact CD1-CB 4.4Å; F924-L926 HydrophobicContact CD1-CD1 3.62Å; F924-L926 HydrophobicContact CD1-CG 3.81Å; F924-L926 HydrophobicContact CE1-CD1 3.86Å; F924-L926 HydrophobicContact CE1-CG 4.35Å
927	N	27.6	Very low	25.8	Very low	135 Å²	135	155.4 Å²	155.4	72%	0.722	78%	0.782	S	S	*	*			trans	-101.4	131.3	161.3	-90.2	-67.5	0	0	0	109.9	D925	D925-N927 PolarHBondContact O-N 2.71Å; D925-N927 PolarHBondContact OD1-ND2 2.82Å
928	N	25.8	Very low	25.9	Very low	138 Å²	138	155.7 Å²	155.7	74%	0.738	78%	0.783	S	S	*	*			trans	-77.7	133.6	-163.9	-60.9	-72.1	0	0	0	112.6
929	C	24.6	Very low	26	Very low	139 Å²	139	152.8 Å²	152.8	94%	0.939	78%	0.781	S	S	*	*			trans	-149	78.5	156.4	-94.8	0	0	0	0	110.2
930	S	24	Very low	26.2	Very low	101 Å²	101	152.8 Å²	152.8	71%	0.706	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-95.8	151.3	158.9	39.8	0	0	0	0	109.4
931	P	29.8	Very low	26.1	Very low	128 Å²	128	151.9 Å²	151.9	83%	0.831	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-82.7	148.5	-155.7	31.8	-36.7	0	0	0	114.1
932	L	26.9	Very low	26.7	Very low	172 Å²	172	149 Å²	149	90%	0.901	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-90.9	158.8	161.8	-93.5	167.2	0	0	0	111.4
933	E	28	Very low	26.9	Very low	181 Å²	181	146.4 Å²	146.4	85%	0.846	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-89.1	167.4	-162	-61	175.9	114.2	0	0	114
934	N	24.6	Very low	27	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-61.9	138.4	171.8	-60.6	-64	0	0	0	111.1
935	N	29.7	Very low	27.3	Very low	165 Å²	165	144.7 Å²	144.7	88%	0.882	79%	0.785	S	S	*	*			trans	-142.2	135	140.3	-100.5	-49.6	0	0	0	109.8
936	N	24.9	Very low	27.5	Very low	141 Å²	141	144.1 Å²	144.1	75%	0.754	78%	0.781	S	S	*	*			trans	-79.4	147.2	175.1	-60.8	-63.6	0	0	0	109.5
937	H	30.6	Very low	27.5	Very low	179 Å²	179	149 Å²	149	83%	0.829	79%	0.793	S	S	*	*				-165.5	159.5	116	-104.7	-73.4	0	0	0	111.2
938	H	25.3	Very low	27.6	Very low	174 Å²	174	147.2 Å²	147.2	81%	0.806	79%	0.788	S	S	*	*			trans	-67.9	155.8	-177.5	-58.9	-106.6	0	0	0	112.9
939	V	28.4	Very low	27.9	Very low	128 Å²	128	147.1 Å²	147.1	78%	0.776	79%	0.788	S	S	*	*				-169.7	132.9	115.9	138.3	0	0	0	0	112
940	L	27.6	Very low	28.2	Very low	164 Å²	164	147.2 Å²	147.2	86%	0.859	78%	0.777	S	S	*	*			trans	40.5	127.3	158.3	-59.8	172.1	0	0	0	122.5
941	N	24.9	Very low	28.5	Very low	143 Å²	143	154.3 Å²	154.3	77%	0.765	79%	0.791	S	S	*	*			trans	-103.8	146.9	154.5	-173.6	0.6	0	0	0	107	L943	N941-L943 PolarHBondContact OD1-N 3.31Å
942	P	34.9	Very low	28.3	Very low	106 Å²	106	150.6 Å²	150.6	69%	0.688	78%	0.776	S	S	*	*				-152.5	139.9	108.1	33.9	-14	0	0	0	118.2
943	L	28.3	Very low	28.5	Very low	149 Å²	149	150.3 Å²	150.3	78%	0.78	78%	0.775	S	S	*	*			trans	78.5	115.6	137.3	-63.9	168	0	0	0	123.1	N941	N941-L943 PolarHBondContact OD1-N 3.31Å
944	V	27.2	Very low	28.4	Very low	104 Å²	104	152.3 Å²	152.3	63%	0.63	78%	0.776	S	S	*	*				70.8	108.7	129.6	-177.1	0	0	0	0	120.5
945	H	29.6	Very low	28.7	Very low	173 Å²	173	152.5 Å²	152.5	80%	0.801	78%	0.776	S	S	*	*				-156.2	162.9	104.6	-113.7	-75.8	0	0	0	113.3
946	N	28	Very low	28.7	Very low	129 Å²	129	152.5 Å²	152.5	69%	0.69	78%	0.777	S	S	*	*			trans	-78.7	157.5	-163.2	-54.1	-38.8	0	0	0	115.9
947	Y	27.3	Very low	28.9	Very low	232 Å²	232	154.1 Å²	154.1	91%	0.91	78%	0.777	S	S	*	*			trans	-138.9	136.8	138	-106.4	-83.5	0	0	0	110.7
948	P	29.9	Very low	28.7	Very low	96 Å²	96	152 Å²	152	62%	0.623	78%	0.776	S	S	*	*			trans	-102.2	-167.7	-174.7	40.8	-37.7	0	0	0	114.1
949	N	32	Very low	28.8	Very low	136 Å²	136	149.6 Å²	149.6	73%	0.727	77%	0.774	S	S	*	*			trans	80	91.9	173.1	-58.3	-11.1	0	0	0	115
950	I	30.7	Very low	28.8	Very low	141 Å²	141	150.9 Å²	150.9	72%	0.723	78%	0.775	S	S	*	*				78.6	108.8	59.1	-58.1	164.1	0	0	0	112.8
951	Y	29.4	Very low	28.8	Very low	251 Å²	251	151.4 Å²	151.4	98%	0.984	77%	0.77	S	S	*	*			trans	-125.6	91.4	138.3	-118.1	-81.8	0	0	0	106.6
952	G	26.8	Very low	28.8	Very low	50 Å²	50	152 Å²	152	52%	0.515	77%	0.774	S	S	.	*			trans	-120.4	132.4	171.9	0	0	0	0	0	108.3
953	D	29.8	Very low	28.5	Very low	166 Å²	166	153 Å²	153	89%	0.888	77%	0.773	S	S	*	*			trans	-163.5	100.6	140.9	-107.8	-14.7	0	0	0	110
954	Y	26.8	Very low	28.6	Very low	222 Å²	222	152.3 Å²	152.3	87%	0.871	77%	0.77	S	S	*	*			trans	-141.6	148.3	161.4	-106.8	-86.9	0	0	0	106
955	L	30.4	Very low	28.8	Very low	153 Å²	153	153.6 Å²	153.6	80%	0.801	77%	0.773	S	S	*	*			trans	83.3	65.2	-177.3	-52.1	171	0	0	0	116.3	K957	L955-K957 PolarHBondContact O-N 3.23Å
956	N	29	Very low	28.7	Very low	166 Å²	166	152.5 Å²	152.5	89%	0.888	77%	0.773	S	S	*	*			trans	-84.6	88.2	139	-115.5	-39	0	0	0	108.8
957	K	29.8	Very low	28.8	Very low	174 Å²	174	153 Å²	153	76%	0.757	78%	0.776	S	S	*	*			trans	-109.7	99.1	158.5	-102.4	-166.6	173.9	-171.2	0	106.7	L955 V959	L955-K957 PolarHBondContact O-N 3.23Å; K957-V959 PolarHBondContact O-N 2.63Å
958	T	26.9	Very low	28.7	Very low	134 Å²	134	149.8 Å²	149.8	82%	0.822	77%	0.769	S	S	*	*			trans	-65.9	99.1	164.7	28.4	0	0	0	0	109
959	V	27.2	Very low	28.6	Very low	124 Å²	124	149.6 Å²	149.6	75%	0.752	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-95.2	139.3	155.8	-179.3	0	0	0	0	106.2	K957	K957-V959 PolarHBondContact O-N 2.63Å
960	I	28.7	Very low	28.4	Very low	155 Å²	155	151.5 Å²	151.5	80%	0.795	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-74.6	155.5	-179.6	-67.6	166.6	0	0	0	108.6
961	K	27.8	Very low	28.2	Very low	176 Å²	176	151.9 Å²	151.9	77%	0.765	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-49.5	141.3	-178.7	-58.8	179	176.1	-172.7	0	112.7
962	D	24	Very low	28.2	Very low	156 Å²	156	144.3 Å²	144.3	83%	0.834	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-77.4	138.4	151.3	-56.6	-59.1	0	0	0	108.7
963	D	29.6	Very low	28.1	Very low	126 Å²	126	148.5 Å²	148.5	67%	0.674	76%	0.763	S	S	*	*			trans	-147.6	112	161.6	-82.8	-56.6	0	0	0	106.9
964	N	30.8	Very low	28	Very low	134 Å²	134	146.6 Å²	146.6	72%	0.717	75%	0.752	S	S	*	*			trans	73.3	122.8	151.7	-61	6.4	0	0	0	123.4
965	D	30.6	Very low	28.1	Very low	131 Å²	131	143.5 Å²	143.5	70%	0.701	75%	0.751	S	S	*	*				74.9	107.5	125.2	-48.8	-13.3	0	0	0	123.8
966	D	27.7	Very low	27.9	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	75%	0.753	S	S	*	*				68.3	162.1	124.5	-70.8	-18.6	0	0	0	125.6
967	D	30.1	Very low	28	Very low	141 Å²	141	144.8 Å²	144.8	75%	0.754	75%	0.751	S	S	*	*			trans	62.6	131.1	176.6	-67.8	-24.4	0	0	0	118.6
968	Q	25.5	Very low	27.8	Very low	164 Å²	164	143.4 Å²	143.4	77%	0.766	75%	0.752	S	S	*	*			cis	68.7	140.6	39.3	-56	-158.8	59.7	0	0	113
969	T	27.9	Very low	28	Very low	92 Å²	92	142.3 Å²	142.3	56%	0.564	75%	0.749	S	S	*	*			cis	-160.8	163	5.5	-5.9	0	0	0	0	111.4
970	F	26.6	Very low	28.2	Very low	176 Å²	176	142.7 Å²	142.7	77%	0.772	75%	0.747	S	S	*	*			trans	62.5	161	155.2	-66.5	-51.1	0	0	0	117.9
971	M	27.9	Very low	28.3	Very low	148 Å²	148	142.4 Å²	142.4	73%	0.729	74%	0.743	S	S	*	*			cis	-157.2	-177.3	-1.4	-126	175.7	-162.5	0	0	108.5
972	S	28.6	Very low	28.5	Very low	92 Å²	92	138.6 Å²	138.6	64%	0.643	73%	0.731	S	S	*	*			cis	-159.8	126.8	-1.1	47	0	0	0	0	112.7
973	L	25.4	Very low	28.9	Very low	138 Å²	138	138.5 Å²	138.5	72%	0.723	73%	0.725	S	S	*	*			trans	64.1	153.9	130.6	-85.1	69.5	0	0	0	125.1
974	D	25.8	Very low	28.9	Very low	126 Å²	126	140.2 Å²	140.2	67%	0.674	73%	0.729	S	S	*	*			trans	58.9	121.5	153.1	-53.5	-19.4	0	0	0	121.1
975	N	30.5	Very low	29	Very low	157 Å²	157	139.5 Å²	139.5	84%	0.84	73%	0.725	S	S	*	*				-157.1	157.9	65.8	-92	-90.1	0	0	0	115.1
976	H	26.5	Very low	29	Very low	182 Å²	182	138.3 Å²	138.3	84%	0.843	72%	0.722	S	S	*	*			trans	-96.1	159.8	163.7	-90.1	-81.6	0	0	0	111.4
977	I	29.5	Very low	29.2	Very low	164 Å²	164	139.4 Å²	139.4	84%	0.841	72%	0.72	S	S	*	*			trans	-179.7	161.4	130.9	-95.7	159.1	0	0	0	112.6
978	N	25.7	Very low	29.3	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	72%	0.721	S	S	*	*			trans	-81.1	155	-165.9	-48	-58.2	0	0	0	117
979	S	32.5	Very low	29.7	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	72%	0.722	S	S	*	*				-158.1	118.2	128.9	54.3	0	0	0	0	109
980	N	30.2	Very low	29.9	Very low	132 Å²	132	138.4 Å²	138.4	71%	0.706	73%	0.73	S	S	*	*				54.3	127.3	95.6	-68.3	8.5	0	0	0	113.9
981	Q	31.3	Very low	30.1	Very low	150 Å²	150	136.3 Å²	136.3	70%	0.701	73%	0.731	S	S	*	*			cis	-158.6	-177.6	6	-112.1	165.6	-90.3	0	0	108
982	N	31.5	Very low	30.1	Very low	96 Å²	96	138.2 Å²	138.2	51%	0.513	74%	0.735	S	S	.	*			cis	-156	-168.7	16.5	-142.1	13.5	0	0	0	112.2
983	E	32.1	Very low	30.1	Very low	153 Å²	153	141.9 Å²	141.9	72%	0.715	74%	0.742	S	S	*	*			trans	6.3	148	145.8	-69.7	147.4	-160.4	0	0	121
984	E	30.4	Very low	30.2	Very low	162 Å²	162	140.4 Å²	140.4	76%	0.757	74%	0.742	S	S	*	*			cis	-171.7	-167.9	-25.9	-130.9	-158.8	130.1	0	0	107.2
985	L	32.1	Very low	30.3	Very low	120 Å²	120	141 Å²	141	63%	0.628	75%	0.745	S	S	*	*			cis	-153.5	127.9	9.5	-115.8	160.7	0	0	0	107.6
986	T	32	Very low	30.1	Very low	106 Å²	106	140.3 Å²	140.3	65%	0.65	74%	0.742	S	S	*	*			trans	63.8	153.2	151.9	64.5	0	0	0	0	122.1
987	K	32.3	Very low	30.2	Very low	172 Å²	172	140 Å²	140	75%	0.748	74%	0.741	S	S	*	*			cis	-159.7	140.2	-7.7	-114.9	163.3	-174.8	172.3	0	112.5
988	I	31	Very low	30	Very low	150 Å²	150	140 Å²	140	77%	0.769	74%	0.739	S	S	*	*			trans	67.4	125.7	146.3	-60.8	159.7	0	0	0	120.3
989	P	35	Very low	30.1	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	74%	0.739	S	S	*	*			trans	-120.5	165.7	173.8	42.2	-32.3	0	0	0	116
990	S	30.9	Very low	30.1	Very low	106 Å²	106	141.5 Å²	141.5	74%	0.741	74%	0.737	S	S	*	*			trans	-172.5	123.4	157.6	37.5	0	0	0	0	110.9
991	V	30.3	Very low	30	Very low	132 Å²	132	143.2 Å²	143.2	80%	0.8	74%	0.738	S	S	*	*				73.1	130.5	87.5	166.9	0	0	0	0	113.2
992	K	29.8	Very low	30	Very low	187 Å²	187	143.5 Å²	143.5	81%	0.813	75%	0.745	S	S	*	*			cis	-157.9	-171.2	-3.3	-119.8	-179.4	-171	177.8	0	112
993	Q	28.4	Very low	29.9	Very low	170 Å²	170	142.2 Å²	142.2	79%	0.794	75%	0.754	S	S	*	*			trans	-85.4	167.3	-175.8	-55.6	151.8	-79.7	0	0	116
994	C	26.1	Very low	29.8	Very low	106 Å²	106	144 Å²	144	72%	0.716	76%	0.762	S	S	*	*			trans	80	119.3	143.4	-76.3	0	0	0	0	123.7
995	N	27.8	Very low	29.7	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	76%	0.762	S	S	*	*				48.8	113.3	129.4	-64	0.9	0	0	0	123.4
996	N	27.9	Very low	29.3	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	77%	0.771	S	S	*	*			trans	70.9	130.9	130.8	-72.4	-11.1	0	0	0	123.6
997	Q	28.1	Very low	29	Very low	176 Å²	176	151.9 Å²	151.9	82%	0.822	78%	0.78	S	S	*	*			trans	64.7	108.1	157.6	-63.3	177.1	-3.1	0	0	116.9
998	M	25.8	Very low	28.8	Very low	164 Å²	164	149.9 Å²	149.9	81%	0.808	78%	0.782	S	S	*	*				71.4	114.4	63.5	-73.6	-161.4	76.3	0	0	115.8
999	L	27.1	Very low	28.6	Very low	147 Å²	147	146.9 Å²	146.9	77%	0.77	77%	0.774	S	S	*	*				170.7	179.3	107.9	-103.1	154.6	0	0	0	113.7
1000	L	31.4	Very low	28.3	Very low	139 Å²	139	152.3 Å²	152.3	73%	0.728	78%	0.779	S	S	*	*			trans	90.3	132.3	164.3	-51.1	177	0	0	0	117.2
1001	K	29.8	Very low	28.4	Very low	169 Å²	169	151.9 Å²	151.9	74%	0.735	78%	0.776	S	S	*	*			cis	-165.4	171.8	-18.3	-136	-178.7	-158.6	169	0	112.5
1002	N	30.8	Very low	28.4	Very low	156 Å²	156	150.5 Å²	150.5	83%	0.834	77%	0.772	S	S	*	*			trans	79.9	131.7	165.5	-52.1	-19.3	0	0	0	117.1
1003	G	29.7	Very low	28.3	Very low	69 Å²	69	146.1 Å²	146.1	71%	0.711	77%	0.765	S	S	*	*			cis	175.9	164	-10.5	0	0	0	0	0	115.4
1004	Q	29.9	Very low	28.5	Very low	191 Å²	191	144.8 Å²	144.8	89%	0.893	76%	0.762	S	S	*	*			trans	61.8	173.6	165.4	-62.9	-173	0.9	0	0	118.4
1005	L	26.7	Very low	28.6	Very low	142 Å²	142	149.6 Å²	149.6	74%	0.743	77%	0.766	S	S	*	*				-176.8	119.6	-63.6	-107.2	169.4	0	0	0	109.6
1006	R	25.4	Very low	28.6	Very low	216 Å²	216	146.8 Å²	146.8	82%	0.815	76%	0.758	S	S	*	*			trans	66.4	123.7	152.4	-71.8	175.3	172.7	-176.2	-1.7	123.3
1007	K	25.8	Very low	28.7	Very low	194 Å²	194	149.2 Å²	149.2	84%	0.843	76%	0.762	S	S	*	*			trans	68.7	160.4	149.1	-56.4	178.7	174.6	-174.6	0	116.2
1008	V	27	Very low	29	Very low	130 Å²	130	146.7 Å²	146.7	79%	0.788	76%	0.761	S	S	*	*			cis	-135.8	161.2	12.3	-179.1	0	0	0	0	111.5
1009	S	27	Very low	28.9	Very low	87 Å²	87	146.3 Å²	146.3	61%	0.608	76%	0.762	S	S	*	*			trans	-60.2	171	171.7	65.3	0	0	0	0	115.7
1010	R	29.5	Very low	28.8	Very low	236 Å²	236	144 Å²	144	89%	0.891	76%	0.758	S	S	*	*			cis	-167.2	176.6	49.4	-122.7	155.7	-170.3	170.5	1.1	108.1
1011	S	31.2	Very low	28.6	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	76%	0.76	S	S	*	*			cis	-163	160.3	25.4	49.7	0	0	0	0	115
1012	S	31.1	Very low	28.6	Very low	103 Å²	103	146 Å²	146	72%	0.72	76%	0.763	S	S	*	*			trans	61.9	141.7	144	53.2	0	0	0	0	122.9
1013	S	28.6	Very low	28.4	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	76%	0.755	S	S	*	*			cis	-178.1	171.8	-10.6	51.7	0	0	0	0	113.4
1014	I	32.2	Very low	28.2	Very low	142 Å²	142	147.4 Å²	147.4	73%	0.728	76%	0.755	S	S	*	*			trans	77.6	133.4	161.1	-61.4	157.8	0	0	0	115.8
1015	Y	27.9	Very low	28.1	Very low	207 Å²	207	147.5 Å²	147.5	81%	0.812	75%	0.753	S	S	*	*			cis	-116	131.8	-5.7	-84.3	-74.8	0	0	0	108.5
1016	S	28.6	Very low	28.1	Very low	79 Å²	79	144.6 Å²	144.6	55%	0.552	74%	0.744	S	S	*	*				56.1	138.5	82.7	84.2	0	0	0	0	115.7
1017	F	28.6	Very low	28.2	Very low	195 Å²	195	141.5 Å²	141.5	86%	0.855	74%	0.744	S	S	*	*			cis	-140.4	174.5	15.9	-89	-81.1	0	0	0	112.8
1018	P	34.2	Very low	28.4	Very low	124 Å²	124	138.3 Å²	138.3	81%	0.805	74%	0.74	S	S	*	*			trans	-122.1	-155.9	-168.7	45.4	-32.9	0	0	0	116.1
1019	N	24.4	Very low	28.4	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	73%	0.734	S	S	*	*			trans	-88.1	170.2	-165.5	-114.8	-17	0	0	0	117
1020	S	25.6	Very low	28.6	Very low	98 Å²	98	143.1 Å²	143.1	69%	0.685	74%	0.743	S	S	*	*			trans	84.8	110.2	151.8	66.5	0	0	0	0	122.4
1021	N	27.4	Very low	28.6	Very low	146 Å²	146	138 Å²	138	78%	0.781	73%	0.729	S	S	*	*				167.9	119.9	128	-86.3	-22.9	0	0	0	109.3
1022	Y	28.5	Very low	28.5	Very low	204 Å²	204	143.1 Å²	143.1	80%	0.8	74%	0.735	S	S	*	*				83	118.3	80.7	-103.8	-68.7	0	0	0	115.8
1023	N	26.8	Very low	28.6	Very low	125 Å²	125	143.7 Å²	143.7	67%	0.668	74%	0.736	S	S	*	*			trans	68.7	117.7	156.5	-70.6	-11.9	0	0	0	123.8
1024	N	25.1	Very low	28.4	Very low	131 Å²	131	147.5 Å²	147.5	70%	0.701	75%	0.748	S	S	*	*				79.6	159.1	129.9	-64.6	-16	0	0	0	122.4
1025	F	28.3	Very low	28.2	Very low	193 Å²	193	150.2 Å²	150.2	85%	0.846	76%	0.755	S	S	*	*			trans	64.8	109.7	-172.4	-60.7	-87.9	0	0	0	114.3
1026	S	26.5	Very low	28.1	Very low	80 Å²	80	149.9 Å²	149.9	56%	0.559	76%	0.76	S	S	*	*			cis	94.1	125.9	33	80.4	0	0	0	0	114.3
1027	N	27.4	Very low	28.1	Very low	151 Å²	151	151 Å²	151	81%	0.807	77%	0.768	S	S	*	*			trans	68.1	141	173.4	-46.9	-35.6	0	0	0	113.5
1028	V	30.3	Very low	27.8	Very low	127 Å²	127	148.8 Å²	148.8	77%	0.77	77%	0.771	S	S	*	*			cis	-140.7	123.5	28	169.3	0	0	0	0	112.5
1029	T	27.7	Very low	27.6	Very low	109 Å²	109	150.3 Å²	150.3	67%	0.669	77%	0.771	S	S	*	*			trans	27.2	120.2	132.8	-28.5	0	0	0	0	121.1
1030	R	30	Very low	27.7	Very low	209 Å²	209	153.6 Å²	153.6	79%	0.789	77%	0.773	S	S	*	*				174.4	126	105.1	-93.3	-172.3	165.1	142.6	3.5	115.7
1031	H	31.2	Very low	27.6	Very low	128 Å²	128	157.6 Å²	157.6	59%	0.593	78%	0.781	S	S	*	*			trans	55.7	141.2	135.8	-55.5	-31	0	0	0	121.8
1032	Y	28.5	Very low	27.5	Very low	205 Å²	205	156.6 Å²	156.6	80%	0.804	78%	0.78	S	S	*	*			cis	-154.6	143.9	-11.6	-117.9	-62.8	0	0	0	107.6
1033	P	32.5	Very low	27.4	Very low	114 Å²	114	153.8 Å²	153.8	74%	0.74	78%	0.778	S	S	*	*			trans	-111.4	-179	-165.2	40.1	-29	0	0	0	115.7
1034	L	24.8	Very low	27.4	Very low	175 Å²	175	154.5 Å²	154.5	92%	0.916	78%	0.781	S	S	*	*			trans	-58.9	151.9	173.3	-70.8	159.7	0	0	0	113.2
1035	K	28.8	Very low	27.5	Very low	200 Å²	200	157 Å²	157	87%	0.87	79%	0.786	S	S	*	*			trans	-100.2	119.8	171.9	-78	-172.6	174.9	-176.1	0	112.4
1036	Q	25.3	Very low	27.5	Very low	199 Å²	199	154.1 Å²	154.1	93%	0.93	79%	0.785	S	S	*	*			trans	-131.1	147.8	138.4	-77	-171.9	-13.5	0	0	107.4
1037	S	27.9	Very low	27.7	Very low	103 Å²	103	156.5 Å²	156.5	72%	0.72	80%	0.796	S	S	*	*			trans	-150.2	99.9	-176.5	58.8	0	0	0	0	112.2
1038	T	23.4	Very low	27.7	Very low	148 Å²	148	156.6 Å²	156.6	91%	0.908	80%	0.796	S	S	*	*			trans	-79.9	136.4	151.4	14.1	0	0	0	0	108.7
1039	I	28.7	Very low	27.7	Very low	156 Å²	156	156.1 Å²	156.1	80%	0.8	80%	0.798	S	S	*	*			trans	-128.7	144.8	171.1	-67.9	-174.3	0	0	0	108.9
1040	Y	26.5	Very low	27.8	Very low	225 Å²	225	159 Å²	159	88%	0.882	80%	0.804	S	S	*	*			trans	-69.8	158.5	-174.5	-92.6	-112.2	0	0	0	114.3
1041	Q	23.5	Very low	27.9	Very low	182 Å²	182	157.6 Å²	157.6	85%	0.85	81%	0.805	S	S	*	*			trans	-67.3	141.8	159.9	-59.5	166.3	-31.6	0	0	110.4
1042	T	26.6	Very low	27.8	Very low	125 Å²	125	155.6 Å²	155.6	77%	0.767	81%	0.806	S	S	*	*			trans	-168.8	106.6	150.5	-79.6	0	0	0	0	112
1043	I	25.9	Very low	27.7	Very low	144 Å²	144	155.3 Å²	155.3	74%	0.738	81%	0.812	S	S	*	*			trans	64.7	146.2	138.3	-62	177.7	0	0	0	121.7
1044	N	27.7	Very low	27.5	Very low	140 Å²	140	158.3 Å²	158.3	75%	0.749	81%	0.813	S	S	*	*			trans	71.1	124.9	175.3	-66.9	-28.6	0	0	0	116.5
1045	K	26.5	Very low	27.7	Very low	183 Å²	183	158.5 Å²	158.5	80%	0.796	81%	0.809	S	S	*	*			cis	93.3	123.8	40.5	-82	-170	172.4	-178.9	0	113.2
1046	T	27.8	Very low	27.5	Very low	134 Å²	134	156.4 Å²	156.4	82%	0.822	81%	0.807	S	S	*	*			trans	58.7	138.9	176.7	47.7	0	0	0	0	115.7
1047	T	29.9	Very low	27.5	Very low	129 Å²	129	153.6 Å²	153.6	79%	0.791	80%	0.798	S	S	*	*			cis	-116.7	159.4	9.1	45.5	0	0	0	0	111.4
1048	L	27.4	Very low	27.5	Very low	154 Å²	154	156.9 Å²	156.9	81%	0.806	80%	0.802	S	S	*	*			cis	70.8	87	47.5	-89.1	173.2	0	0	0	116
1049	S	30.7	Very low	27.8	Very low	116 Å²	116	157.1 Å²	157.1	81%	0.811	80%	0.797	S	S	*	*			trans	-158.4	159.6	134.1	63	0	0	0	0	112
1050	H	30.5	Very low	27.5	Very low	171 Å²	171	158.1 Å²	158.1	79%	0.792	80%	0.804	S	S	*	*			trans	-68.5	149.9	-167.3	-61.8	-91.2	0	0	0	113.3
1051	H	31.9	Very low	27.7	Very low	179 Å²	179	153 Å²	153	83%	0.829	80%	0.796	S	S	*	*				-150.6	122.7	72	-136.4	-33.2	0	0	0	115.9
1052	S	28.4	Very low	28	Very low	85 Å²	85	152.2 Å²	152.2	59%	0.594	80%	0.796	S	S	*	*			trans	22.2	105.1	149.6	-48	0	0	0	0	121.1
1053	Q	26.4	Very low	28	Very low	199 Å²	199	153.5 Å²	153.5	93%	0.93	80%	0.798	S	S	*	*			trans	-111.2	116.7	132	-168.1	76.3	21.3	0	0	106.9
1054	K	28.1	Very low	28.2	Very low	178 Å²	178	156 Å²	156	77%	0.774	80%	0.804	S	S	*	*			trans	-146.8	102.2	-179.7	-173.6	-165.9	-178.5	-165.6	0	110.6
1055	Q	30	Very low	28.2	Very low	179 Å²	179	161.2 Å²	161.2	84%	0.836	81%	0.813	S	S	*	*			trans	178.1	108.9	143.6	-104.4	169.2	-14.1	0	0	110.7
1056	L	23.8	Very low	28.3	Very low	155 Å²	155	155.2 Å²	155.2	81%	0.812	80%	0.803	S	S	*	*	S	Bend	trans	-145.7	139.5	145.4	-164	73.6	0	0	0	106.1
1057	N	26.8	Very low	28.4	Very low	140 Å²	140	156.7 Å²	156.7	75%	0.749	81%	0.806	S	S	*	*			trans	58.4	91.5	176.7	-56.5	-15.5	0	0	0	116.6
1058	E	27.9	Very low	28.3	Very low	173 Å²	173	155.4 Å²	155.4	81%	0.808	80%	0.802	S	S	*	*			trans	-90.2	156.5	139.5	-84.8	176.2	170	0	0	109.1
1059	L	28.8	Very low	28.3	Very low	153 Å²	153	155.2 Å²	155.2	80%	0.801	80%	0.801	S	S	*	*			trans	-91	147.9	-165	-73.3	85.6	0	0	0	113.7	T1061	L1059-T1061 PolarHBondContact O-N 3.12Å
1060	N	23.2	Very low	28.1	Very low	176 Å²	176	156.8 Å²	156.8	94%	0.941	80%	0.8	S	S	*	*			trans	-74.3	106.2	158.9	-85.8	-30.6	0	0	0	110.9
1061	T	30	Very low	28	Very low	118 Å²	118	153.2 Å²	153.2	72%	0.724	80%	0.801	S	S	*	*			trans	-136.7	135.9	152.7	50.3	0	0	0	0	105.6	L1059	L1059-T1061 PolarHBondContact O-N 3.12Å
1062	I	29.7	Very low	27.6	Very low	166 Å²	166	149.8 Å²	149.8	85%	0.851	80%	0.797	S	S	*	*			cis	-144.1	152	49.4	-75.4	164.2	0	0	0	110.8
1063	N	26	Very low	27.5	Very low	151 Å²	151	152.1 Å²	152.1	81%	0.807	81%	0.807	S	S	*	*			trans	-95	161.2	172	-104.4	-37.7	0	0	0	112.3
1064	K	30	Very low	27.5	Very low	197 Å²	197	146.5 Å²	146.5	86%	0.857	79%	0.79	S	S	*	*			trans	86.3	92.3	166.9	-53.9	-175.7	178.8	-176.6	0	119.1
1065	R	29.4	Very low	27.4	Very low	250 Å²	250	144.9 Å²	144.9	94%	0.943	79%	0.789	S	S	*	*				-166.5	146.2	110.4	-92	165.8	-169.6	-165.7	1.9	105.3
1066	G	26.8	Very low	27.3	Very low	56 Å²	56	144.3 Å²	144.3	58%	0.577	78%	0.783	S	S	*	*			cis	91.6	106.3	33.8	0	0	0	0	0	107.7
1067	D	30.6	Very low	27.5	Very low	165 Å²	165	141 Å²	141	88%	0.882	77%	0.773	S	S	*	*			cis	-145.1	-167.4	11.5	-68.1	-60	0	0	0	112.3
1068	S	27.5	Very low	27.6	Very low	103 Å²	103	141 Å²	141	72%	0.72	77%	0.773	S	S	*	*			trans	-66.6	173.6	173.3	61.3	0	0	0	0	112.8
1069	L	28.8	Very low	27.7	Very low	149 Å²	149	139.4 Å²	139.4	78%	0.78	77%	0.77	S	S	*	*			cis	-164.3	-167.4	42.4	-132.8	169	0	0	0	110.8
1070	D	25.1	Very low	27.9	Very low	149 Å²	149	138 Å²	138	80%	0.797	77%	0.768	S	S	*	*			trans	-66.2	176.1	-176.8	-74.7	-70.6	0	0	0	116.6
1071	A	28.6	Very low	27.9	Very low	97 Å²	97	136.1 Å²	136.1	80%	0.802	76%	0.757	S	S	*	*			trans	117.3	106	151.9	0	0	0	0	0	117.1
1072	S	23.8	Very low	28.1	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	76%	0.76	S	S	*	*			trans	-45.6	171.4	156.8	52.5	0	0	0	0	117
1073	V	26.7	Very low	28	Very low	135 Å²	135	135.8 Å²	135.8	82%	0.818	75%	0.754	S	S	*	*			trans	91.6	139	163.3	-177.1	0	0	0	0	115.4
1074	S	25.7	Very low	28.1	Very low	81 Å²	81	138 Å²	138	57%	0.566	75%	0.753	S	S	*	*			cis	-172	153.2	-35.3	74.9	0	0	0	0	109.9
1075	L	26.3	Very low	28	Very low	143 Å²	143	137 Å²	137	75%	0.749	75%	0.748	S	S	*	*			trans	66.8	158.7	158	-54.5	172.6	0	0	0	115.6
1076	K	28.2	Very low	27.7	Very low	167 Å²	167	132.5 Å²	132.5	73%	0.726	74%	0.743	S	S	*	*			cis	-160.9	155.2	-1.9	-133	167.9	-174.4	173.5	0	112.5
1077	S	27	Very low	27.8	Very low	85 Å²	85	136.9 Å²	136.9	59%	0.594	75%	0.753	S	S	*	*			trans	27.7	138.7	139.8	57.7	0	0	0	0	121.5
1078	N	29.4	Very low	27.7	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	75%	0.749	S	S	*	*			cis	-145.4	-173.5	-4.2	-65	-42.3	0	0	0	107.2
1079	D	31	Very low	27.6	Very low	139 Å²	139	141.5 Å²	141.5	74%	0.743	76%	0.76	S	S	*	*			cis	-155.6	-179	15.3	-120.1	-52.3	0	0	0	106.7
1080	V	32.4	Very low	27.4	Very low	124 Å²	124	141.7 Å²	141.7	75%	0.752	76%	0.755	S	S	*	*			cis	-145.9	169.9	12.3	79.3	0	0	0	0	111.1
1081	L	23	Very low	27.5	Very low	137 Å²	137	143.2 Å²	143.2	72%	0.717	76%	0.76	S	S	*	*			trans	-121.1	155.5	173.7	-104	162.7	0	0	0	112.1
1082	P	34.9	Very low	27.3	Very low	121 Å²	121	144.5 Å²	144.5	79%	0.786	75%	0.749	S	S	*	*				-118.1	144.1	120.1	-8.6	27.5	0	0	0	113.8
1083	Q	26.7	Very low	27.6	Very low	156 Å²	156	144.1 Å²	144.1	73%	0.729	75%	0.746	S	S	*	*			trans	-66.8	153.6	178	-56.9	153.5	-2.5	0	0	112
1084	Y	29.2	Very low	27.6	Very low	198 Å²	198	145.1 Å²	145.1	78%	0.776	75%	0.745	S	S	*	*				-167.9	149.9	108.7	-112.2	-74.3	0	0	0	113.7
1085	F	27.8	Very low	27.7	Very low	174 Å²	174	150.3 Å²	150.3	76%	0.763	75%	0.752	S	S	*	*			trans	62.1	98.1	169.3	-78.4	-71.5	0	0	0	120.5
1086	N	23.1	Very low	27.6	Very low	156 Å²	156	152.8 Å²	152.8	83%	0.834	76%	0.757	S	S	*	*			trans	-37.5	137.2	137.7	-80.6	-49.4	0	0	0	112.5
1087	N	28.5	Very low	27.6	Very low	148 Å²	148	150.8 Å²	150.8	79%	0.791	75%	0.749	S	S	*	*			trans	-154.1	152.3	135.3	-121.3	-53.1	0	0	0	114.9
1088	K	27.3	Very low	27.4	Very low	181 Å²	181	154.2 Å²	154.2	79%	0.787	76%	0.76	S	S	*	*			trans	-61.6	148.5	-175.9	-66.1	165	175.8	175	0	112	K1090	K1088-K1090 VanDerWaalsContact C-N 3.35Å; K1088-K1090 PolarHBondContact O-N 2.82Å
1089	L	27.2	Very low	27.2	Very low	184 Å²	184	156.1 Å²	156.1	96%	0.963	76%	0.758	S	S	*	*			trans	-56.4	91.2	167.1	-83.2	161.1	0	0	0	111.3
1090	K	24.6	Very low	26.9	Very low	153 Å²	153	157.1 Å²	157.1	67%	0.665	76%	0.758	S	S	*	*			trans	-90.3	107.3	163.5	-80.1	-173	173.5	-177.1	0	108.5	K1088 H1092	K1088-K1090 VanDerWaalsContact C-N 3.35Å; K1088-K1090 PolarHBondContact O-N 2.82Å; K1090-H1092 PolarHBondContact O-N 3.35Å; K1090-H1092 VanDerWaalsContact O-N 3.12Å
1091	M	26.6	Very low	26.5	Very low	182 Å²	182	156.8 Å²	156.8	90%	0.897	76%	0.759	S	S	*	*			trans	-57.4	116.1	160.7	-91.5	-70.3	-168.8	0	0	108.8
1092	H	24.6	Very low	26.6	Very low	124 Å²	124	159.5 Å²	159.5	57%	0.574	77%	0.765	S	S	*	*			trans	-114.2	86.1	168.6	-90.7	19.9	0	0	0	109	K628 K1090	K628-H1092 PolarHBondContact NZ-CE1 3.42Å; K628-H1092 VanDerWaalsContact NZ-CE1 3.28Å; K628-H1092 PolarHBondContact NZ-NE2 3Å; K1090-H1092 PolarHBondContact O-N 3.35Å; K1090-H1092 VanDerWaalsContact O-N 3.12Å
1093	S	29.3	Very low	26.2	Very low	98 Å²	98	159.9 Å²	159.9	69%	0.685	76%	0.759	S	S	*	*			trans	-85	109.8	169.8	-176.1	0	0	0	0	109.5	R1095	S1093-R1095 PolarHBondContact O-N 3.02Å
1094	I	26	Very low	26.3	Very low	155 Å²	155	160 Å²	160	80%	0.795	76%	0.759	S	S	*	*			trans	-73.2	90.3	178.1	-59.8	175.5	0	0	0	108.9	K1096	I1094-K1096 PolarHBondContact O-N 2.8Å
1095	R	28.2	Very low	26.6	Very low	190 Å²	190	154.3 Å²	154.3	72%	0.717	74%	0.742	S	S	*	*			trans	-70.4	93.1	177.5	-78.6	-163.9	173	179.1	-1	111.6	S1093 F1097	S1093-R1095 PolarHBondContact O-N 3.02Å; R1095-F1097 HydrophobicContact CB-CD2 3.91Å; R1095-F1097 HydrophobicContact CB-CE2 4.32Å; R1095-F1097 HydrophobicContact CG-CD2 4Å; R1095-F1097 HydrophobicContact CG-CE2 3.94Å
1096	K	24.3	Very low	27.3	Very low	195 Å²	195	153.5 Å²	153.5	85%	0.848	74%	0.741	S	S	*	*			trans	-83.8	113.8	149.9	-78.3	179.1	178	170.5	0	108	I1094	I1094-K1096 PolarHBondContact O-N 2.8Å
1097	F	28.7	Very low	28.2	Very low	125 Å²	125	151 Å²	151	55%	0.548	73%	0.728	S	S	.	*			trans	-133.9	114.2	172.8	-88.3	-92.9	0	0	0	111.1	R1095 Y1099	R1095-F1097 HydrophobicContact CB-CD2 3.91Å; R1095-F1097 HydrophobicContact CB-CE2 4.32Å; R1095-F1097 HydrophobicContact CG-CD2 4Å; R1095-F1097 HydrophobicContact CG-CE2 3.94Å; F1097-Y1099 HydrophobicContact CB-CD2 4Å; F1097-Y1099 HydrophobicContact CB-CE2 4.37Å; F1097-Y1099 AromaticContact CD1-CD2 3.69Å; F1097-Y1099 HydrophobicContact CD1-CD2 3.69Å; F1097-Y1099 AromaticContact CD1-CE2 3.53Å; F1097-Y1099 HydrophobicContact CD1-CE2 3.53Å; F1097-Y1099 HydrophobicContact CD1-CG 4.36Å; F1097-Y1099 HydrophobicContact CE1-CE2 4.01Å; F1097-Y1099 HydrophobicContact CG-CD2 4.1Å; F1097-Y1099 HydrophobicContact CG-CE2 4.02Å
1098	N	23.8	Very low	29.2	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	70%	0.7	S	S	*	*			trans	-79.7	124.1	137.9	-75.4	10.4	0	0	0	105.3	E1100	N1098-E1100 PolarHBondContact O-N 3.47Å
1099	Y	25.1	Very low	31	Very low	182 Å²	182	142.5 Å²	142.5	71%	0.714	69%	0.69	S	S	*	*			trans	-91.9	86.5	171.3	-111.5	-75.4	0	0	0	109.8	F1097	F1097-Y1099 HydrophobicContact CB-CD2 4Å; F1097-Y1099 HydrophobicContact CB-CE2 4.37Å; F1097-Y1099 AromaticContact CD1-CD2 3.69Å; F1097-Y1099 HydrophobicContact CD1-CD2 3.69Å; F1097-Y1099 AromaticContact CD1-CE2 3.53Å; F1097-Y1099 HydrophobicContact CD1-CE2 3.53Å; F1097-Y1099 HydrophobicContact CD1-CG 4.36Å; F1097-Y1099 HydrophobicContact CE1-CE2 4.01Å; F1097-Y1099 HydrophobicContact CG-CD2 4.1Å; F1097-Y1099 HydrophobicContact CG-CE2 4.02Å
1100	E	22.8	Very low	32.8	Very low	159 Å²	159	138.2 Å²	138.2	74%	0.743	67%	0.668	S	S	*	*			trans	-78.3	138.2	145.7	-71.9	-179.4	148.7	0	0	107.4	N1098 K1102	N1098-E1100 PolarHBondContact O-N 3.47Å; E1100-K1102 PolarHBondContact O-N 3.33Å
1101	P	25.4	Very low	34.6	Very low	117 Å²	117	133.6 Å²	133.6	76%	0.76	65%	0.653	S	S	*	*			trans	-74.3	87.9	-177.9	30.5	-34.6	0	0	0	110.4	I1103	P1101-I1103 PolarHBondContact O-N 3.25Å
1102	K	25.3	Very low	36.5	Very low	195 Å²	195	128.8 Å²	128.8	85%	0.848	63%	0.63	S	S	*	*			trans	-69	99.7	161.4	-81.1	-162.6	170	-165.2	0	109.1	E1100 Q1104	E1100-K1102 PolarHBondContact O-N 3.33Å; K1102-Q1104 PolarHBondContact O-N 2.91Å
1103	I	26.6	Very low	38.8	Very low	129 Å²	129	128.5 Å²	128.5	66%	0.662	63%	0.63	S	S	*	*			trans	-60.9	127	161.8	-48.5	177.3	0	0	0	106.8	P1101 D1105	P1101-I1103 PolarHBondContact O-N 3.25Å; I1103-D1105 VanDerWaalsContact C-N 3.32Å; I1103-D1105 WeakPolarHBondContact CB-OD2 3.46Å; I1103-D1105 VanDerWaalsContact CG2-CG 3.46Å; I1103-D1105 VanDerWaalsContact CG2-OD1 3.27Å; I1103-D1105 WeakPolarHBondContact CG2-OD1 3.44Å; I1103-D1105 VanDerWaalsContact CG2-OD2 3.28Å; I1103-D1105 WeakPolarHBondContact CG2-OD2 3.31Å; I1103-D1105 PolarHBondContact O-N 3.44Å
1104	Q	28	Very low	40.1	Very low	158 Å²	158	128.7 Å²	128.7	74%	0.738	62%	0.623	S	S	*	*			trans	-87.6	75.8	173.9	-76.1	-169.9	-99.1	0	0	109.6	K1102 E1106	K1102-Q1104 PolarHBondContact O-N 2.91Å; Q1104-E1106 PolarHBondContact NE2-OE1 3.1Å; Q1104-E1106 VanDerWaalsContact NE2-OE1 3.16Å; Q1104-E1106 PolarHBondContact O-N 2.96Å
1105	D	35.7	Very low	42	Very low	78 Å²	78	128.9 Å²	128.9	42%	0.417	63%	0.626	S	S	.	*			trans	-77	56.9	178.1	-70.4	-48.3	0	0	0	112.5	I1103 N1107 I1108	I1103-D1105 VanDerWaalsContact C-N 3.32Å; I1103-D1105 WeakPolarHBondContact CB-OD2 3.46Å; I1103-D1105 VanDerWaalsContact CG2-CG 3.46Å; I1103-D1105 VanDerWaalsContact CG2-OD1 3.27Å; I1103-D1105 WeakPolarHBondContact CG2-OD1 3.44Å; I1103-D1105 VanDerWaalsContact CG2-OD2 3.28Å; I1103-D1105 WeakPolarHBondContact CG2-OD2 3.31Å; I1103-D1105 PolarHBondContact O-N 3.44Å; D1105-N1107 PolarHBondContact O-N 2.8Å; D1105-I1108 HydrophobicContact CB-CB 4.23Å; D1105-I1108 HydrophobicContact CB-CD1 3.74Å; D1105-I1108 HydrophobicContact CB-CG1 3.95Å; D1105-I1108 VanDerWaalsContact OD1-CD1 3.26Å; D1105-I1108 WeakPolarHBondContact OD1-CD1 3.28Å
1106	E	41.4	Very low	43.5	Very low	157 Å²	157	123 Å²	123	73%	0.734	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	0.5	177.7	-67.2	-177.9	-162	0	0	113.3	Q1104	Q1104-E1106 PolarHBondContact NE2-OE1 3.1Å; Q1104-E1106 VanDerWaalsContact NE2-OE1 3.16Å; Q1104-E1106 PolarHBondContact O-N 2.96Å
1107	N	43.7	Very low	44.3	Very low	105 Å²	105	120.8 Å²	120.8	56%	0.561	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	-6.4	177.6	-74.3	-64.7	0	0	0	114.9	D1105 F1122 N1123	D1105-N1107 PolarHBondContact O-N 2.8Å; N1107-F1122 HydrophobicContact CB-CD1 3.91Å; N1107-F1122 CarbonylContact O-C 3.53Å; N1107-F1122 VanDerWaalsContact O-CA 3.22Å; N1107-F1122 WeakPolarHBondContact O-CA 3.44Å; N1107-N1123 PolarHBondContact O-N 2.89Å
1108	I	48	Very low	46.1	Very low	38 Å²	38	118.2 Å²	118.2	20%	0.195	61%	0.61	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-82	123.8	178.4	-61.8	-177.8	0	0	0	109.7	D1105 D1110 H1120 I1121 F1122	D1105-I1108 HydrophobicContact CB-CB 4.23Å; D1105-I1108 HydrophobicContact CB-CD1 3.74Å; D1105-I1108 HydrophobicContact CB-CG1 3.95Å; D1105-I1108 VanDerWaalsContact OD1-CD1 3.26Å; D1105-I1108 WeakPolarHBondContact OD1-CD1 3.28Å; I1108-D1110 VanDerWaalsContact CG2-O 3.27Å; I1108-D1110 WeakPolarHBondContact CG2-O 3.35Å; I1108-H1120 HydrophobicContact CD1-CB 3.81Å; I1108-H1120 HydrophobicContact CG1-CB 4.23Å; I1108-H1120 HydrophobicContact CG2-CB 4.38Å; I1108-I1121 CarbonylContact C-O 3.6Å; I1108-I1121 WeakPolarHBondContact CA-O 3.25Å; I1108-F1122 HydrophobicContact CD1-CE1 4.06Å; I1108-F1122 HydrophobicContact CD1-CZ 4.11Å; I1108-F1122 HydrophobicContact CG1-CD1 3.82Å; I1108-F1122 HydrophobicContact CG1-CE1 3.36Å; I1108-F1122 HydrophobicContact CG1-CZ 3.82Å
1109	L	65.9	Low	48.1	Very low	112 Å²	112	115 Å²	115	59%	0.586	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.7	-40	172.3	-74.9	167.2	0	0	0	112.3	I1121 N1123	L1109-I1121 PolarHBondContact N-O 2.86Å; L1109-N1123 HydrophobicContact CD1-CB 3.74Å; L1109-N1123 HydrophobicContact CD2-CB 4.28Å; L1109-N1123 HydrophobicContact CG-CB 3.86Å
1110	D	64.3	Low	50.3	Low	94 Å²	94	110.2 Å²	110.2	50%	0.503	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-156.9	161.2	-175.9	-162.5	2	0	0	0	110.8	I1108 I1121	I1108-D1110 VanDerWaalsContact CG2-O 3.27Å; I1108-D1110 WeakPolarHBondContact CG2-O 3.35Å; D1110-I1121 HydrophobicContact CB-CB 4.49Å; D1110-I1121 PolarHBondContact O-N 3.47Å
1111	T	62.9	Low	52	Low	56 Å²	56	106.1 Å²	106.1	34%	0.344	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.8	101	175.1	-61.1	0	0	0	0	110.3	P1118 I1119 H1120	T1111-P1118 HydrophobicContact CG2-CB 3.55Å; T1111-I1119 WeakPolarHBondContact CA-O 3.48Å; T1111-H1120 VanDerWaalsContact CG2-ND1 3.35Å; T1111-H1120 WeakPolarHBondContact CG2-ND1 3.29Å; T1111-H1120 PolarHBondContact OG1-ND1 3.42Å
1112	I	67.4	Low	54	Low	80 Å²	80	106 Å²	106	41%	0.41	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.6	-179.8	-53.1	-176.8	0	0	0	109.1	I1119 I1121	I1112-I1119 PolarHBondContact N-O 2.92Å; I1112-I1119 PolarHBondContact O-N 3.22Å; I1112-I1121 HydrophobicContact CD1-CD1 3.67Å; I1112-I1121 HydrophobicContact CG1-CD1 4.1Å
1113	M	72	Confident	55	Low	119 Å²	119	100.9 Å²	100.9	59%	0.586	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.8	172.9	-65.7	-63.6	-66.7	0	0	110.1	K1117 P1118	M1113-K1117 WeakPolarHBondContact CA-O 3.27Å; M1113-P1118 HydrophobicContact SD-CB 3.86Å
1114	L	56.1	Low	55.5	Low	101 Å²	101	103.2 Å²	103.2	53%	0.529	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.2	173.7	-144.2	96.6	0	0	0	109.1	G1116 K1117 I1119	L1114-G1116 PolarHBondContact O-N 2.76Å; L1114-G1116 VanDerWaalsContact O-N 3.07Å; L1114-K1117 PolarHBondContact N-O 2.74Å; L1114-K1117 PolarHBondContact O-N 3.15Å; L1114-I1119 HydrophobicContact CB-CD1 3.81Å; L1114-I1119 HydrophobicContact CD2-CD1 4.42Å
1115	D	65.6	Low	55.7	Low	160 Å²	160	104.9 Å²	104.9	86%	0.856	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	39.8	-176.3	-60.4	-24.7	0	0	0	114.5	K1117	D1115-K1117 VanDerWaalsContact C-N 3.3Å; D1115-K1117 PolarHBondContact O-N 3.22Å
1116	G	60.5	Low	55.4	Low	65 Å²	65	106.5 Å²	106.5	67%	0.67	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.3	11.6	179.9	0	0	0	0	0	115.3	L1114	L1114-G1116 PolarHBondContact O-N 2.76Å; L1114-G1116 VanDerWaalsContact O-N 3.07Å
1117	K	40.6	Very low	54.9	Low	150 Å²	150	105.8 Å²	105.8	65%	0.652	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.7	139.6	173.8	-64.9	175.1	-174.2	166.2	0	111.2	M1113 L1114 D1115	M1113-K1117 WeakPolarHBondContact CA-O 3.27Å; L1114-K1117 PolarHBondContact N-O 2.74Å; L1114-K1117 PolarHBondContact O-N 3.15Å; D1115-K1117 VanDerWaalsContact C-N 3.3Å; D1115-K1117 PolarHBondContact O-N 3.22Å
1118	P	67.4	Low	54.1	Low	71 Å²	71	107.6 Å²	107.6	46%	0.461	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.9	134.6	171.3	29.7	-33	0	0	0	110.8	T1111 M1113	T1111-P1118 HydrophobicContact CG2-CB 3.55Å; M1113-P1118 HydrophobicContact SD-CB 3.86Å
1119	I	65.4	Low	53.2	Low	88 Å²	88	111 Å²	111	45%	0.451	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.7	113.7	168.7	-58.3	179.8	0	0	0	107.1	T1111 I1112 L1114	T1111-I1119 WeakPolarHBondContact CA-O 3.48Å; I1112-I1119 PolarHBondContact N-O 2.92Å; I1112-I1119 PolarHBondContact O-N 3.22Å; L1114-I1119 HydrophobicContact CB-CD1 3.81Å; L1114-I1119 HydrophobicContact CD2-CD1 4.42Å
1120	H	72.3	Confident	51.8	Low	83 Å²	83	115.6 Å²	115.6	38%	0.384	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.3	128.2	-177.9	-56	-64.8	0	0	0	110.9	I1108 T1111 F1122	I1108-H1120 HydrophobicContact CD1-CB 3.81Å; I1108-H1120 HydrophobicContact CG1-CB 4.23Å; I1108-H1120 HydrophobicContact CG2-CB 4.38Å; T1111-H1120 VanDerWaalsContact CG2-ND1 3.35Å; T1111-H1120 WeakPolarHBondContact CG2-ND1 3.29Å; T1111-H1120 PolarHBondContact OG1-ND1 3.42Å; H1120-F1122 HydrophobicContact CB-CD2 4.38Å; H1120-F1122 HydrophobicContact CB-CE2 3.61Å; H1120-F1122 HydrophobicContact CB-CZ 3.86Å; H1120-F1122 WeakPolarHBondContact O-CD2 3.49Å
1121	I	58.4	Low	51.2	Low	72 Å²	72	116.7 Å²	116.7	37%	0.369	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.6	124.7	176.3	-62.5	179.8	0	0	0	108.4	I1108 L1109 D1110 I1112	I1108-I1121 CarbonylContact C-O 3.6Å; I1108-I1121 WeakPolarHBondContact CA-O 3.25Å; L1109-I1121 PolarHBondContact N-O 2.86Å; D1110-I1121 HydrophobicContact CB-CB 4.49Å; D1110-I1121 PolarHBondContact O-N 3.47Å; I1112-I1121 HydrophobicContact CD1-CD1 3.67Å; I1112-I1121 HydrophobicContact CG1-CD1 4.1Å
1122	F	66.5	Low	50.6	Low	116 Å²	116	119.9 Å²	119.9	51%	0.509	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.2	144.9	-175.2	-65.1	-93.2	0	0	0	113	N1107 I1108 H1120	N1107-F1122 HydrophobicContact CB-CD1 3.91Å; N1107-F1122 CarbonylContact O-C 3.53Å; N1107-F1122 VanDerWaalsContact O-CA 3.22Å; N1107-F1122 WeakPolarHBondContact O-CA 3.44Å; I1108-F1122 HydrophobicContact CD1-CE1 4.06Å; I1108-F1122 HydrophobicContact CD1-CZ 4.11Å; I1108-F1122 HydrophobicContact CG1-CD1 3.82Å; I1108-F1122 HydrophobicContact CG1-CE1 3.36Å; I1108-F1122 HydrophobicContact CG1-CZ 3.82Å; H1120-F1122 HydrophobicContact CB-CD2 4.38Å; H1120-F1122 HydrophobicContact CB-CE2 3.61Å; H1120-F1122 HydrophobicContact CB-CZ 3.86Å; H1120-F1122 WeakPolarHBondContact O-CD2 3.49Å
1123	N	45.6	Very low	49.6	Very low	87 Å²	87	122.1 Å²	122.1	47%	0.465	67%	0.666	S	S	.	*			trans	-77.5	122.3	178.6	-160.6	-9.9	0	0	0	111.9	N1107 L1109	N1107-N1123 PolarHBondContact O-N 2.89Å; L1109-N1123 HydrophobicContact CD1-CB 3.74Å; L1109-N1123 HydrophobicContact CD2-CB 4.28Å; L1109-N1123 HydrophobicContact CG-CB 3.86Å
1124	K	37.7	Very low	48.3	Very low	178 Å²	178	122.3 Å²	122.3	77%	0.774	67%	0.67	S	S	*	*			trans	-102.9	81.4	-173.8	-161.2	175.6	-174.4	-179.8	0	112.2
1125	K	33.1	Very low	47.8	Very low	192 Å²	192	123.6 Å²	123.6	84%	0.835	68%	0.679	S	S	*	*			trans	-134.3	64.9	175.7	-91.3	-163.7	173.3	-174.7	0	114.9
1126	S	29.2	Very low	46.7	Very low	113 Å²	113	121.2 Å²	121.2	79%	0.79	67%	0.667	S	S	*	*	S	Bend	trans	-154.7	158.4	143.3	54.9	0	0	0	0	110
1127	T	30.5	Very low	45.7	Very low	141 Å²	141	125.2 Å²	125.2	87%	0.865	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-80.1	143	-166.8	38	0	0	0	0	113.9
1128	I	26.1	Very low	46.1	Very low	143 Å²	143	123.3 Å²	123.3	73%	0.733	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-71	127.4	161.7	-65.2	166.3	0	0	0	108.1
1129	S	29.2	Very low	44.3	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-91.3	141.7	144	57	0	0	0	0	107.9
1130	T	37.4	Very low	42.4	Very low	210 Å²	210	131.3 Å²	131.3	100%	1.288	71%	0.707	S	S	*	*			trans	-51.3	0	-175.9	51.6	0	0	0	0	114.2

Retrieved 1,130 of 1,130 residues in 1256.5 ms (Link to these results)

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