A0A077Z9X6_TRITR Loading...

Presenilins associated rhomboid protein AlphaSync

AlphaFold DB , UniProt , Accession A0A077Z9X6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,160 aa.

						>A0A077Z9X6_TRITR|A0A077Z9X6
MIVYRLCCLNAVASSTSLLPIRWASKLARFARRRAYEKRDIKTNWKRNEWTKRSPREVFDEFAAGQINRKPVELYKPLLFTLAFGGSCFVGASIWQYESYCKSREITLDSRNWMFKFREEKYGELRQELNNLWQQISIGTKTVLYIVLLNTAICAAWRIPALQGSMKRYFMSSFNGEKLCSPMLFSVFSHISPIHLAVNMYVLWSFAPLLVDRLTGLEQFHAFYLTSGVVASLAGLTYKALIGSPKASVGASGAILALLMYTCCKIPNAELMIIFLPYITFTAHTAVYVVIGLDIAGLLFRWQLFDHAAHLGGSLFGVWYAFYGEKWWQRRGVVVDEYRKANPSASTDLATASEPQSVCSLAERLHFLHLFFPVDSTVDVGKCPSDKQKEAELPIVESQNETLELTDDEPLQSFDEWTRRKLEEQRPVATVGDTVVNGNGAPAGAAPIAARNYASKDCGAKVVMANAEAQNPSALLKDKDNDEYMLNPCETDGPKWFIIELCETVQISCVEMANFELFSSSPKEFRLLTSERYPSSEWHLLGEWTAADSRQIQRYIVASKLYARYIKVELLSHYGSEHFCPLSLVRVLGISMVEEYEAEAMKHESFASPIGEQSSAALNDSDEQNSSAKGYLLNTARYAVKSIAESVLNKASFVFKVVKTTTEQQQRDSANGGATFAHPSTNGDVVSSSSFSYWSCLLSPKNQSKRFTSRHCYFTQLMQNRFVTXSPIALDSFNSGRSSTADTSSFVGKRRFTKYGNTSLNGHCSSDKNELLKHLNMNNEQQKWCPLKGNLTRSKFKRRRLIPTVGYPQRLNSSNDASFNSKKSTQGSNGGATVASASALPLLPGSSTSAKESVFIRLNNRIKQLEINISLSSQYLSELSRTYKRQMEEMQKNLNRTLSLVAETERRLLSMIEVHNDLIYSLKSRVDEVSSMVTTAGKISVPLPDKWLQWHSGLFVMEFCLASSIVLFTVLSSRSTSRLRRSDVAKVVMDVLMSEMSVRTQASYLQNSDEVRRVDVRPSPSSVASNKSSRALTNVNGKGKVFLLPRSSRTLRRTEASMRKALEPQRLRCFSGQRRNANSLADPNDSPSSSSSSKVCCRSCPGVLFSSVPRIPPKNEISKWIEHPAMRAPLKKGHDREIPISPGFLCHTKPTNRPSPSAHG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	40.8	Very low	206 Å²	206	128.5 Å²	128.5	100%	1.015	68%	0.678	S	S	*	*				0	-38.3	0	-76.1	-166.2	-175.5	0	0	114	V3 Y4 R5	M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.16Å; M1-Y4 WeakPolarHBondContact O-CA 3.42Å; M1-Y4 WeakPolarHBondContact O-CB 3.43Å; M1-Y4 PolarHBondContact O-N 3.38Å; M1-R5 PolarHBondContact O-N 2.92Å
2	I	36.5	Very low	40.3	Very low	78 Å²	78	128.8 Å²	128.8	40%	0.4	69%	0.688	S	S	.	*	H	α-helix	trans	-54.6	-43.2	-174.2	-65.7	170.2	0	0	0	112.8	Y4 R5 L6 E98	I2-Y4 VanDerWaalsContact C-N 3.26Å; I2-Y4 PolarHBondContact O-N 2.98Å; I2-R5 PolarHBondContact O-N 3.05Å; I2-L6 HydrophobicContact CG2-CD1 3.82Å; I2-L6 HydrophobicContact CG2-CG 4.22Å; I2-L6 PolarHBondContact O-N 2.89Å; I2-E98 HydrophobicContact CD1-CG 4.44Å
3	V	41.3	Very low	40.1	Very low	109 Å²	109	126.6 Å²	126.6	66%	0.661	70%	0.699	S	S	*	*	H	α-helix	trans	-56.7	-35.2	174.7	-178.6	0	0	0	0	113.2	M1 C7	M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.16Å; V3-C7 WeakPolarHBondContact O-CB 3.24Å; V3-C7 PolarHBondContact O-N 3.09Å
4	Y	45.9	Very low	40.1	Very low	182 Å²	182	125 Å²	125	71%	0.714	70%	0.701	S	S	*	*	H	α-helix	trans	-70	-40.1	175.4	-172.2	-94.9	0	0	0	111.3	M1 I2 C8	M1-Y4 WeakPolarHBondContact O-CA 3.42Å; M1-Y4 WeakPolarHBondContact O-CB 3.43Å; M1-Y4 PolarHBondContact O-N 3.38Å; I2-Y4 VanDerWaalsContact C-N 3.26Å; I2-Y4 PolarHBondContact O-N 2.98Å; Y4-C8 PolarHBondContact O-N 3.05Å; Y4-C8 PolarHBondContact O-SG 2.96Å
5	R	43.4	Very low	40.1	Very low	188 Å²	188	123.5 Å²	123.5	71%	0.709	70%	0.702	S	S	*	*	H	α-helix	trans	-66.8	-42.9	174.7	-72.2	-169.8	173.6	-137.8	1	112.3	M1 I2 C7 C8 L9	M1-R5 PolarHBondContact O-N 2.92Å; I2-R5 PolarHBondContact O-N 3.05Å; R5-C7 PolarHBondContact O-N 3.41Å; R5-C8 PolarHBondContact O-N 2.91Å; R5-C8 VanDerWaalsContact O-N 3.15Å; R5-L9 WeakPolarHBondContact O-CG 3.48Å; R5-L9 PolarHBondContact O-N 3.36Å
6	L	43.8	Very low	40	Very low	100 Å²	100	123.7 Å²	123.7	52%	0.524	71%	0.707	S	S	.	*	H	α-helix	trans	-61.9	-42	176.2	-73.3	169.8	0	0	0	112.1	I2 C8 L9	I2-L6 HydrophobicContact CG2-CD1 3.82Å; I2-L6 HydrophobicContact CG2-CG 4.22Å; I2-L6 PolarHBondContact O-N 2.89Å; L6-C8 PolarHBondContact O-N 3.17Å; L6-L9 HydrophobicContact CD2-CD1 4.3Å; L6-L9 PolarHBondContact O-N 2.98Å
7	C	41.2	Very low	40	Very low	112 Å²	112	122.8 Å²	122.8	76%	0.757	71%	0.709	S	S	*	*	H	α-helix	trans	-67.4	-21.6	176.5	-153.2	0	0	0	0	113.1	V3 R5	V3-C7 WeakPolarHBondContact O-CB 3.24Å; V3-C7 PolarHBondContact O-N 3.09Å; R5-C7 PolarHBondContact O-N 3.41Å
8	C	42.7	Very low	39.9	Very low	67 Å²	67	124.9 Å²	124.9	45%	0.453	72%	0.717	S	S	.	*	H	α-helix	trans	-88.7	-13.1	174.5	-69	0	0	0	0	114.7	Y4 R5 L6 N10	Y4-C8 PolarHBondContact O-N 3.05Å; Y4-C8 PolarHBondContact O-SG 2.96Å; R5-C8 PolarHBondContact O-N 2.91Å; R5-C8 VanDerWaalsContact O-N 3.15Å; L6-C8 PolarHBondContact O-N 3.17Å; C8-N10 PolarHBondContact O-N 3.36Å
9	L	40.7	Very low	39.8	Very low	118 Å²	118	125.4 Å²	125.4	62%	0.618	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-76.4	-19.3	-170.4	-89.5	162.5	0	0	0	114.7	R5 L6 A11	R5-L9 WeakPolarHBondContact O-CG 3.48Å; R5-L9 PolarHBondContact O-N 3.36Å; L6-L9 HydrophobicContact CD2-CD1 4.3Å; L6-L9 PolarHBondContact O-N 2.98Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.19Å
10	N	40.3	Very low	39.8	Very low	168 Å²	168	124.7 Å²	124.7	90%	0.898	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-90.6	26.1	176.9	-75.1	-12.1	0	0	0	114	C8	C8-N10 PolarHBondContact O-N 3.36Å
11	A	37.5	Very low	40.2	Very low	86 Å²	86	125.8 Å²	125.8	71%	0.711	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-129.1	10.6	-173.6	0	0	0	0	0	115.3	L9	L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.19Å
12	V	35.6	Very low	40.6	Very low	132 Å²	132	125.3 Å²	125.3	80%	0.8	71%	0.705	S	S	*	*			trans	-109.9	90.4	-173.9	-174.7	0	0	0	0	111.3
13	A	37.6	Very low	40.9	Very low	100 Å²	100	131.6 Å²	131.6	83%	0.826	72%	0.724	S	S	*	*			trans	-147.7	35	175.8	0	0	0	0	0	113.8
14	S	40	Very low	41.4	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	72%	0.719	S	S	*	*	S	Bend	trans	-158.8	105.4	167.9	50.2	0	0	0	0	114.6
15	S	39.4	Very low	41.5	Very low	103 Å²	103	123 Å²	123	72%	0.72	70%	0.7	S	S	*	*			trans	35	94	141.4	61.2	0	0	0	0	120
16	T	38.8	Very low	41.9	Very low	126 Å²	126	121 Å²	121	77%	0.773	70%	0.696	S	S	*	*				44.7	130.8	118.5	56.1	0	0	0	0	122.3
17	S	40.9	Very low	42.5	Very low	108 Å²	108	122.2 Å²	122.2	76%	0.755	70%	0.702	S	S	*	*			trans	94.7	130.5	139.1	82	0	0	0	0	120.7
18	L	38	Very low	43.3	Very low	162 Å²	162	118.8 Å²	118.8	85%	0.848	68%	0.682	S	S	*	*			trans	67.4	139.8	155.6	-61.9	174.5	0	0	0	121.1
19	L	38.2	Very low	43.9	Very low	133 Å²	133	122.6 Å²	122.6	70%	0.696	69%	0.687	S	S	*	*			trans	70.7	106.1	164.3	-61.2	170.4	0	0	0	118.6
20	P	38.7	Very low	44.8	Very low	111 Å²	111	123.2 Å²	123.2	72%	0.721	69%	0.685	S	S	*	*	S	Bend	trans	-61.5	-164.4	147.9	29.3	-35.9	0	0	0	111.6	R22	P20-R22 PolarHBondContact O-N 3.04Å
21	I	49.4	Very low	45.6	Very low	149 Å²	149	118.2 Å²	118.2	76%	0.764	67%	0.667	S	S	*	*	S	Bend	trans	75	-40.1	-178.7	-50.8	164.8	0	0	0	114.6	W23 A24	I21-W23 VanDerWaalsContact C-N 3.32Å; I21-W23 PolarHBondContact O-N 2.68Å; I21-W23 VanDerWaalsContact O-N 3.16Å; I21-A24 PolarHBondContact O-N 2.86Å
22	R	41.8	Very low	46.5	Very low	196 Å²	196	122.7 Å²	122.7	74%	0.74	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-28.7	-171.5	-110.6	178.8	177.1	-175.9	-0.6	115.7	P20 S25	P20-R22 PolarHBondContact O-N 3.04Å; R22-S25 WeakPolarHBondContact O-CB 3.13Å; R22-S25 PolarHBondContact O-N 3.39Å; R22-S25 PolarHBondContact O-OG 3.36Å
23	W	43.7	Very low	47.5	Very low	210 Å²	210	126.1 Å²	126.1	80%	0.795	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-37.4	-177.9	-83.3	78.3	0	0	0	114.4	I21 S25 K26 L27	I21-W23 VanDerWaalsContact C-N 3.32Å; I21-W23 PolarHBondContact O-N 2.68Å; I21-W23 VanDerWaalsContact O-N 3.16Å; W23-S25 PolarHBondContact O-N 3.21Å; W23-K26 PolarHBondContact O-N 2.73Å; W23-L27 PolarHBondContact O-N 2.78Å
24	A	51.2	Low	48.2	Very low	67 Å²	67	128.7 Å²	128.7	55%	0.554	65%	0.652	S	S	*	*	H	α-helix	trans	-57.6	-36.9	175.2	0	0	0	0	0	111.4	I21 K26 L27 A28	I21-A24 PolarHBondContact O-N 2.86Å; A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 3.19Å; A24-L27 PolarHBondContact O-N 2.9Å; A24-A28 VanDerWaalsContact O-CB 3.3Å; A24-A28 WeakPolarHBondContact O-CB 3.41Å; A24-A28 PolarHBondContact O-N 3.05Å
25	S	49.7	Very low	48.9	Very low	43 Å²	43	126.6 Å²	126.6	30%	0.301	64%	0.641	S	S	.	*	H	α-helix	trans	-65.6	-24.3	176.8	87.2	0	0	0	0	114.4	R22 W23 R29	R22-S25 WeakPolarHBondContact O-CB 3.13Å; R22-S25 PolarHBondContact O-N 3.39Å; R22-S25 PolarHBondContact O-OG 3.36Å; W23-S25 PolarHBondContact O-N 3.21Å; S25-R29 WeakPolarHBondContact O-CB 3.44Å; S25-R29 WeakPolarHBondContact O-CG 3.31Å; S25-R29 PolarHBondContact O-N 3.05Å; S25-R29 PolarHBondContact O-NE 2.9Å; S25-R29 PolarHBondContact OG-NH2 2.84Å
26	K	51.7	Low	49.1	Very low	146 Å²	146	129.5 Å²	129.5	64%	0.635	64%	0.638	S	S	*	*	H	α-helix	trans	-80.8	-45.5	175.3	-83.5	-173.1	173.3	-179.4	0	110.5	W23 A24 A28 R29 F30	W23-K26 PolarHBondContact O-N 2.73Å; A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 3.19Å; K26-A28 PolarHBondContact O-N 3.1Å; K26-R29 PolarHBondContact O-N 3.33Å; K26-F30 PolarHBondContact O-N 2.86Å
27	L	54.4	Low	49.5	Very low	125 Å²	125	130.1 Å²	130.1	65%	0.654	63%	0.631	S	S	*	*	H	α-helix	trans	-60.7	-44.8	174.3	-78	164.1	0	0	0	111.9	W23 A24 R29 F30 A31	W23-L27 PolarHBondContact O-N 2.78Å; A24-L27 PolarHBondContact O-N 2.9Å; L27-R29 VanDerWaalsContact C-N 3.25Å; L27-R29 PolarHBondContact O-N 3.47Å; L27-F30 PolarHBondContact O-N 3.34Å; L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 3.36Å
28	A	58.6	Low	49.8	Very low	41 Å²	41	132.6 Å²	132.6	34%	0.339	63%	0.629	S	S	.	*	H	α-helix	trans	-67.2	-20.3	176.7	0	0	0	0	0	114.4	A24 K26 R32	A24-A28 VanDerWaalsContact O-CB 3.3Å; A24-A28 WeakPolarHBondContact O-CB 3.41Å; A24-A28 PolarHBondContact O-N 3.05Å; K26-A28 PolarHBondContact O-N 3.1Å; A28-R32 PolarHBondContact O-N 2.98Å; A28-R32 PolarHBondContact O-NE 2.99Å
29	R	56.1	Low	50.2	Low	147 Å²	147	132.6 Å²	132.6	56%	0.555	62%	0.618	S	S	*	*	H	α-helix	trans	-85	-35.8	170.2	-83.1	-178.8	-80.2	-173.6	-7.3	112.2	S25 K26 L27 R32 R33	S25-R29 WeakPolarHBondContact O-CB 3.44Å; S25-R29 WeakPolarHBondContact O-CG 3.31Å; S25-R29 PolarHBondContact O-N 3.05Å; S25-R29 PolarHBondContact O-NE 2.9Å; S25-R29 PolarHBondContact OG-NH2 2.84Å; K26-R29 PolarHBondContact O-N 3.33Å; L27-R29 VanDerWaalsContact C-N 3.25Å; L27-R29 PolarHBondContact O-N 3.47Å; R29-R32 PolarHBondContact O-N 3.3Å; R29-R33 PolarHBondContact O-N 2.89Å
30	F	58.9	Low	50.6	Low	130 Å²	130	133.1 Å²	133.1	57%	0.57	62%	0.621	S	S	*	*	H	α-helix	trans	-65.4	-42.5	173.9	-157.9	-95.5	0	0	0	111.4	K26 L27 R33 R34	K26-F30 PolarHBondContact O-N 2.86Å; L27-F30 PolarHBondContact O-N 3.34Å; F30-R33 PolarHBondContact O-N 2.98Å; F30-R34 PolarHBondContact O-N 3.34Å
31	A	56.5	Low	51	Low	63 Å²	63	132.3 Å²	132.3	52%	0.521	61%	0.609	S	S	.	*	H	α-helix	trans	-60.1	-43.7	171.7	0	0	0	0	0	112.3	L27 R34 A35	L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 3.36Å; A31-R34 PolarHBondContact O-N 3.04Å; A31-A35 PolarHBondContact O-N 3.12Å; A31-A35 VanDerWaalsContact O-N 3.16Å
32	R	58	Low	50.6	Low	180 Å²	180	134.1 Å²	134.1	68%	0.679	61%	0.612	S	S	*	*	H	α-helix	trans	-67.3	-33.8	177.4	-89.2	-175	-88.5	-164	-8.9	114	A28 R29 A35 Y36	A28-R32 PolarHBondContact O-N 2.98Å; A28-R32 PolarHBondContact O-NE 2.99Å; R29-R32 PolarHBondContact O-N 3.3Å; R32-A35 WeakPolarHBondContact O-CB 3.39Å; R32-A35 PolarHBondContact O-N 3.32Å; R32-A35 VanDerWaalsContact O-N 3.16Å; R32-Y36 PolarHBondContact O-N 3.36Å
33	R	55.1	Low	50.8	Low	205 Å²	205	131.2 Å²	131.2	77%	0.774	62%	0.616	S	S	*	*	H	α-helix	trans	-63.1	-46.2	173	-76.1	-172.9	174	-171.7	-3.1	111.7	R29 F30 A35 Y36 E37	R29-R33 PolarHBondContact O-N 2.89Å; F30-R33 PolarHBondContact O-N 2.98Å; R33-A35 PolarHBondContact O-N 3.03Å; R33-A35 VanDerWaalsContact O-N 3.16Å; R33-Y36 PolarHBondContact O-N 2.76Å; R33-Y36 VanDerWaalsContact O-N 3.15Å; R33-E37 PolarHBondContact O-N 2.89Å
34	R	54	Low	50.5	Low	154 Å²	154	126.2 Å²	126.2	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-65.4	-11.6	172.5	-81.8	-175.5	169.4	173.8	-2.6	115	F30 A31	F30-R34 PolarHBondContact O-N 3.34Å; A31-R34 PolarHBondContact O-N 3.04Å
35	A	53.8	Low	49.9	Very low	59 Å²	59	133.1 Å²	133.1	49%	0.488	62%	0.617	S	S	.	*	H	α-helix	trans	-87.5	-25.5	173.9	0	0	0	0	0	113	A31 R32 R33	A31-A35 PolarHBondContact O-N 3.12Å; A31-A35 VanDerWaalsContact O-N 3.16Å; R32-A35 WeakPolarHBondContact O-CB 3.39Å; R32-A35 PolarHBondContact O-N 3.32Å; R32-A35 VanDerWaalsContact O-N 3.16Å; R33-A35 PolarHBondContact O-N 3.03Å; R33-A35 VanDerWaalsContact O-N 3.16Å
36	Y	43.8	Very low	49.3	Very low	165 Å²	165	141.5 Å²	141.5	65%	0.647	65%	0.648	S	S	*	*	H	α-helix	trans	-80.7	-40.4	178	-123.7	-101.3	0	0	0	112.1	R32 R33 K38 R39	R32-Y36 PolarHBondContact O-N 3.36Å; R33-Y36 PolarHBondContact O-N 2.76Å; R33-Y36 VanDerWaalsContact O-N 3.15Å; Y36-K38 PolarHBondContact O-N 2.77Å; Y36-R39 PolarHBondContact O-N 3.4Å; Y36-R39 VanDerWaalsContact O-N 3.13Å; Y36-R39 PolarHBondContact OH-NH1 3.42Å; Y36-R39 VanDerWaalsContact OH-NH1 3.14Å
37	E	48.1	Very low	48.6	Very low	138 Å²	138	144.4 Å²	144.4	65%	0.645	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-11.3	175.4	-163.6	172.5	-159.4	0	0	113.8	R33	R33-E37 PolarHBondContact O-N 2.89Å
38	K	46.3	Very low	47.7	Very low	160 Å²	160	144.2 Å²	144.2	70%	0.696	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-0.6	175.4	-82.4	-170.1	170.9	-170.9	0	115.3	Y36	Y36-K38 PolarHBondContact O-N 2.77Å
39	R	46	Very low	46.6	Very low	163 Å²	163	151.4 Å²	151.4	62%	0.615	68%	0.681	S	S	*	*	S	Bend	trans	-86.5	-42.9	179.6	-71.3	-175.4	179	156.2	-0.3	113.7	Y36 I41 K42	Y36-R39 PolarHBondContact O-N 3.4Å; Y36-R39 VanDerWaalsContact O-N 3.13Å; Y36-R39 PolarHBondContact OH-NH1 3.42Å; Y36-R39 VanDerWaalsContact OH-NH1 3.14Å; R39-I41 PolarHBondContact O-N 2.7Å; R39-I41 VanDerWaalsContact O-N 3.17Å; R39-K42 PolarHBondContact O-N 3.44Å
40	D	46.7	Very low	45.5	Very low	144 Å²	144	155 Å²	155	77%	0.77	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-73.3	-6.3	-178.5	-62.8	-50.2	0	0	0	114.5	K42	D40-K42 VanDerWaalsContact C-N 3.28Å; D40-K42 PolarHBondContact O-N 3Å
41	I	47.2	Very low	44.3	Very low	93 Å²	93	154.2 Å²	154.2	48%	0.477	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-76.3	-15.8	176.5	-65.2	175.8	0	0	0	111.8	R39 T43 N44 W45	R39-I41 PolarHBondContact O-N 2.7Å; R39-I41 VanDerWaalsContact O-N 3.17Å; I41-T43 VanDerWaalsContact C-N 3.27Å; I41-T43 PolarHBondContact O-N 2.88Å; I41-T43 VanDerWaalsContact O-N 3.17Å; I41-N44 PolarHBondContact O-N 3.13Å; I41-W45 VanDerWaalsContact O-CD1 3.3Å
42	K	42.2	Very low	43.4	Very low	187 Å²	187	161 Å²	161	81%	0.813	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-68	-14.4	-172.1	-109.3	-171.1	175.3	-170.2	0	116	R39 D40	R39-K42 PolarHBondContact O-N 3.44Å; D40-K42 VanDerWaalsContact C-N 3.28Å; D40-K42 PolarHBondContact O-N 3Å
43	T	46	Very low	42.6	Very low	136 Å²	136	161.6 Å²	161.6	83%	0.834	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-94.4	-9	-178.9	49.3	0	0	0	0	114.3	I41	I41-T43 VanDerWaalsContact C-N 3.27Å; I41-T43 PolarHBondContact O-N 2.88Å; I41-T43 VanDerWaalsContact O-N 3.17Å
44	N	37.2	Very low	42.2	Very low	105 Å²	105	154 Å²	154	56%	0.561	70%	0.699	S	S	*	*			trans	-115.1	18.7	-173.5	-143.7	-15.9	0	0	0	114.1	I41 K46	I41-N44 PolarHBondContact O-N 3.13Å; N44-K46 VanDerWaalsContact C-N 3.3Å; N44-K46 PolarHBondContact O-N 3.33Å
45	W	36.9	Very low	41.8	Very low	212 Å²	212	151.1 Å²	151.1	80%	0.803	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	5.6	-173.8	-100.7	57	0	0	0	116	I41	I41-W45 VanDerWaalsContact O-CD1 3.3Å
46	K	37	Very low	41.3	Very low	219 Å²	219	157.7 Å²	157.7	95%	0.952	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	14.4	-178.7	-88.1	-169.4	172.7	-174.6	0	115.2	N44	N44-K46 VanDerWaalsContact C-N 3.3Å; N44-K46 PolarHBondContact O-N 3.33Å
47	R	37	Very low	41.4	Very low	206 Å²	206	153.8 Å²	153.8	78%	0.777	70%	0.701	S	S	*	*	S	Bend	trans	-146.6	42.3	-172.4	-154.9	-166.9	-69.3	164.9	-2.8	116
48	N	37.4	Very low	41.6	Very low	121 Å²	121	149.4 Å²	149.4	65%	0.647	68%	0.683	S	S	*	*			trans	-143.6	111.5	171.8	-75.4	-74.5	0	0	0	112.8	W50	N48-W50 PolarHBondContact O-N 3.47Å
49	E	34.1	Very low	42	Very low	193 Å²	193	145.5 Å²	145.5	90%	0.902	67%	0.666	S	S	*	*			trans	-75.2	104.3	168.1	-67.4	172.6	104.1	0	0	110.1	T51	E49-T51 PolarHBondContact O-N 3.36Å
50	W	33.3	Very low	42.1	Very low	221 Å²	221	143 Å²	143	84%	0.837	67%	0.665	S	S	*	*			trans	-95.7	52.9	-179.3	-87.2	90.3	0	0	0	113	N48	N48-W50 PolarHBondContact O-N 3.47Å
51	T	34.4	Very low	42.3	Very low	115 Å²	115	141.6 Å²	141.6	71%	0.706	65%	0.654	S	S	*	*	S	Bend	trans	-136.5	142.8	169.2	57.5	0	0	0	0	112	E49	E49-T51 PolarHBondContact O-N 3.36Å
52	K	37.3	Very low	42.4	Very low	205 Å²	205	138.5 Å²	138.5	89%	0.891	64%	0.637	S	S	*	*			trans	56.7	73.6	173	-54.8	174.3	-177.2	172.6	0	117
53	R	41	Very low	42.8	Very low	192 Å²	192	132.7 Å²	132.7	73%	0.725	62%	0.624	S	S	*	*			trans	-89	135.8	151.6	-74.3	-162.7	-176.1	-174.8	0	110.6	E57	R53-E57 WeakPolarHBondContact CA-OE2 3.42Å; R53-E57 WeakPolarHBondContact CB-OE2 3.29Å; R53-E57 WeakPolarHBondContact CG-OE2 3.45Å
54	S	45.8	Very low	42.7	Very low	45 Å²	45	130.9 Å²	130.9	32%	0.315	62%	0.623	S	S	.	*			trans	-83	158.3	-177.6	78.3	0	0	0	0	112.7	R56 E57	S54-R56 PolarHBondContact O-N 3.27Å; S54-R56 VanDerWaalsContact O-N 3.15Å; S54-R56 PolarHBondContact OG-N 3.45Å; S54-E57 WeakPolarHBondContact CA-OE1 3.42Å; S54-E57 WeakPolarHBondContact CB-OE1 3.36Å; S54-E57 VanDerWaalsContact N-CD 3.25Å; S54-E57 PolarHBondContact N-OE1 2.89Å; S54-E57 PolarHBondContact N-OE2 3.05Å; S54-E57 VanDerWaalsContact N-OE2 3.09Å; S54-E57 PolarHBondContact O-N 3.01Å; S54-E57 PolarHBondContact OG-N 3.44Å; S54-E57 PolarHBondContact OG-OE1 3.45Å
55	P	46.2	Very low	43.6	Very low	94 Å²	94	128.9 Å²	128.9	61%	0.61	63%	0.626	S	S	*	*	H	α-helix	trans	-60.8	-18.2	171.9	-24.8	35.3	0	0	0	114.6	F59	P55-F59 WeakPolarHBondContact O-CD2 3.36Å
56	R	43.2	Very low	44.9	Very low	198 Å²	198	121.7 Å²	121.7	75%	0.747	60%	0.602	S	S	*	*	H	α-helix	trans	-75	-45	177.8	-73.2	-176.6	175.7	167.9	-0.1	111.9	S54 V58 F59 D60	S54-R56 PolarHBondContact O-N 3.27Å; S54-R56 VanDerWaalsContact O-N 3.15Å; S54-R56 PolarHBondContact OG-N 3.45Å; R56-V58 PolarHBondContact O-N 3.43Å; R56-V58 VanDerWaalsContact O-N 3.08Å; R56-F59 WeakPolarHBondContact O-CA 3.44Å; R56-F59 WeakPolarHBondContact O-CB 3.43Å; R56-F59 PolarHBondContact O-N 3.41Å; R56-D60 PolarHBondContact O-N 3.09Å
57	E	45.8	Very low	46.8	Very low	83 Å²	83	114.9 Å²	114.9	39%	0.388	58%	0.575	S	S	.	*	H	α-helix	trans	-55	-33	178.2	-69.3	139.6	-123	0	0	112.9	R53 S54 F59 D60 E61	R53-E57 WeakPolarHBondContact CA-OE2 3.42Å; R53-E57 WeakPolarHBondContact CB-OE2 3.29Å; R53-E57 WeakPolarHBondContact CG-OE2 3.45Å; S54-E57 WeakPolarHBondContact CA-OE1 3.42Å; S54-E57 WeakPolarHBondContact CB-OE1 3.36Å; S54-E57 VanDerWaalsContact N-CD 3.25Å; S54-E57 PolarHBondContact N-OE1 2.89Å; S54-E57 PolarHBondContact N-OE2 3.05Å; S54-E57 VanDerWaalsContact N-OE2 3.09Å; S54-E57 PolarHBondContact O-N 3.01Å; S54-E57 PolarHBondContact OG-N 3.44Å; S54-E57 PolarHBondContact OG-OE1 3.45Å; E57-F59 VanDerWaalsContact C-N 3.32Å; E57-F59 PolarHBondContact O-N 3.34Å; E57-D60 PolarHBondContact O-N 2.86Å; E57-E61 WeakPolarHBondContact O-CB 3.38Å; E57-E61 PolarHBondContact O-N 3.24Å
58	V	53.2	Low	48.7	Very low	45 Å²	45	112.1 Å²	112.1	27%	0.273	58%	0.576	S	S	.	*	H	α-helix	trans	-68.8	-29.8	177.1	-175.1	0	0	0	0	112.4	R56	R56-V58 PolarHBondContact O-N 3.43Å; R56-V58 VanDerWaalsContact O-N 3.08Å
59	F	54.3	Low	50.9	Low	79 Å²	79	107.6 Å²	107.6	35%	0.346	55%	0.55	S	S	.	.	H	α-helix	trans	-77.7	-41	170.1	-86.7	-88.6	0	0	0	111.7	P55 R56 E57 F62 M171 I191	P55-F59 WeakPolarHBondContact O-CD2 3.36Å; R56-F59 WeakPolarHBondContact O-CA 3.44Å; R56-F59 WeakPolarHBondContact O-CB 3.43Å; R56-F59 PolarHBondContact O-N 3.41Å; E57-F59 VanDerWaalsContact C-N 3.32Å; E57-F59 PolarHBondContact O-N 3.34Å; F59-F62 WeakPolarHBondContact O-CB 3.49Å; F59-F62 PolarHBondContact O-N 2.99Å; F59-M171 HydrophobicContact CD1-CE 4.19Å; F59-M171 HydrophobicContact CE1-CE 4.09Å; F59-I191 HydrophobicContact CE2-CD1 3.87Å; F59-I191 HydrophobicContact CZ-CD1 3.76Å
60	D	48.6	Very low	53.2	Low	111 Å²	111	105.8 Å²	105.8	59%	0.594	54%	0.539	S	S	*	.	H	α-helix	trans	-70.3	-34.5	-176.2	-61.2	-42.7	0	0	0	111.9	R56 E57 F62 A63	R56-D60 PolarHBondContact O-N 3.09Å; E57-D60 PolarHBondContact O-N 2.86Å; D60-F62 PolarHBondContact O-N 3.15Å; D60-F62 VanDerWaalsContact O-N 3.12Å; D60-A63 WeakPolarHBondContact O-CB 2.78Å; D60-A63 PolarHBondContact O-N 3.12Å
61	E	49.5	Very low	55.6	Low	113 Å²	113	98.2 Å²	98.2	53%	0.528	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-61.2	-18.6	170.1	-168	-178	-131.5	0	0	112.6	E57 A63 A64 K167	E57-E61 WeakPolarHBondContact O-CB 3.38Å; E57-E61 PolarHBondContact O-N 3.24Å; E61-A63 PolarHBondContact O-N 3.44Å; E61-A64 PolarHBondContact O-N 3.32Å; E61-K167 IonicContact OE2-NZ 3.6Å; E61-K167 PolarHBondContact OE2-NZ 2.76Å
62	F	50.8	Low	58.2	Low	29 Å²	29	98.4 Å²	98.4	13%	0.127	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-71.8	-9.9	173.1	-150.7	-85.4	0	0	0	112.8	F59 D60 A64 Q66 K167 M171	F59-F62 WeakPolarHBondContact O-CB 3.49Å; F59-F62 PolarHBondContact O-N 2.99Å; D60-F62 PolarHBondContact O-N 3.15Å; D60-F62 VanDerWaalsContact O-N 3.12Å; F62-A64 VanDerWaalsContact C-N 3.35Å; F62-Q66 VanDerWaalsContact O-CG 3.3Å; F62-Q66 WeakPolarHBondContact O-CG 3.41Å; F62-Q66 PolarHBondContact O-NE2 3.41Å; F62-K167 HydrophobicContact CD2-CB 4.24Å; F62-K167 HydrophobicContact CD2-CD 4.2Å; F62-K167 HydrophobicContact CD2-CG 4.15Å; F62-K167 HydrophobicContact CE2-CB 3.85Å; F62-K167 HydrophobicContact CE2-CG 4.21Å; F62-K167 WeakPolarHBondContact CE2-O 3.45Å; F62-M171 HydrophobicContact CD2-CE 3.59Å; F62-M171 HydrophobicContact CD2-SD 3.73Å; F62-M171 HydrophobicContact CE2-CB 4.01Å; F62-M171 HydrophobicContact CE2-CE 3.73Å; F62-M171 HydrophobicContact CE2-CG 4.37Å; F62-M171 HydrophobicContact CE2-SD 3.52Å; F62-M171 VanDerWaalsContact CE2-SD 3.52Å; F62-M171 HydrophobicContact CG-CE 4.21Å; F62-M171 HydrophobicContact CZ-CB 4.16Å; F62-M171 HydrophobicContact CZ-CE 4.45Å
63	A	49	Very low	60.6	Low	65 Å²	65	90.9 Å²	90.9	54%	0.537	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-70.2	-28.6	172.7	0	0	0	0	0	113.2	D60 E61 G65 Q66	D60-A63 WeakPolarHBondContact O-CB 2.78Å; D60-A63 PolarHBondContact O-N 3.12Å; E61-A63 PolarHBondContact O-N 3.44Å; A63-G65 VanDerWaalsContact C-N 3.3Å; A63-G65 PolarHBondContact O-N 2.67Å; A63-Q66 WeakPolarHBondContact O-CG 3.44Å
64	A	45.3	Very low	63	Low	98 Å²	98	83.1 Å²	83.1	81%	0.81	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-76.4	-6.8	-168.1	0	0	0	0	0	115.8	E61 F62	E61-A64 PolarHBondContact O-N 3.32Å; F62-A64 VanDerWaalsContact C-N 3.35Å
65	G	55.9	Low	65.2	Low	62 Å²	62	87.3 Å²	87.3	64%	0.639	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-129.2	28.1	-173.7	0	0	0	0	0	114.7	A63	A63-G65 VanDerWaalsContact C-N 3.3Å; A63-G65 PolarHBondContact O-N 2.67Å
66	Q	64.3	Low	67.5	Low	62 Å²	62	86.5 Å²	86.5	29%	0.29	46%	0.456	S	S	.	.			trans	-87.1	126.6	-165.4	-69.6	-167.1	-1.2	0	0	114.2	F62 A63 N175	F62-Q66 VanDerWaalsContact O-CG 3.3Å; F62-Q66 WeakPolarHBondContact O-CG 3.41Å; F62-Q66 PolarHBondContact O-NE2 3.41Å; A63-Q66 WeakPolarHBondContact O-CG 3.44Å; Q66-N175 HydrophobicContact CB-CB 3.99Å; Q66-N175 HydrophobicContact CG-CB 4.2Å
67	I	76.6	Confident	69.9	Low	75 Å²	75	77 Å²	77	39%	0.385	42%	0.421	S	S	.	.			trans	-82	120.7	172.4	-57.2	-178.7	0	0	0	108.4	R69 N175	I67-R69 HydrophobicContact CG2-CG 3.94Å; I67-R69 PolarHBondContact O-N 3.44Å; I67-N175 PolarHBondContact N-O 2.99Å; I67-N175 WeakPolarHBondContact O-CA 3.5Å; I67-N175 WeakPolarHBondContact O-CB 3.37Å; I67-N175 PolarHBondContact O-ND2 3.48Å; I67-N175 VanDerWaalsContact O-ND2 3.12Å
68	N	77.4	Confident	72.3	Confident	149 Å²	149	77.1 Å²	77.1	80%	0.797	42%	0.423	S	S	*	.			trans	-78.5	81.9	176.7	-167.1	4.5	0	0	0	110.8
69	R	82.2	Confident	74.3	Confident	26 Å²	26	80.3 Å²	80.3	10%	0.098	44%	0.438	C	S	.	.			trans	-76.8	148.1	178.8	-69.8	-161	179.2	97.1	8.6	112.2	I67 E73 F174 G176 E177	I67-R69 HydrophobicContact CG2-CG 3.94Å; I67-R69 PolarHBondContact O-N 3.44Å; R69-E73 WeakPolarHBondContact CA-OE1 3.45Å; R69-E73 VanDerWaalsContact CB-OE1 3.31Å; R69-E73 WeakPolarHBondContact CB-OE1 3.38Å; R69-E73 WeakPolarHBondContact CG-OE1 3.44Å; R69-E73 IonicContact NE-OE2 2.73Å; R69-F174 HydrophobicContact CB-CD1 4.39Å; R69-F174 HydrophobicContact CB-CE1 3.7Å; R69-F174 HydrophobicContact CB-CE2 4.45Å; R69-F174 HydrophobicContact CB-CZ 3.72Å; R69-F174 PolarHBondContact NH1-O 3.23Å; R69-F174 WeakPolarHBondContact O-CE1 3.47Å; R69-G176 VanDerWaalsContact CZ-O 3.25Å; R69-G176 PolarHBondContact NH1-O 3.09Å; R69-G176 PolarHBondContact NH2-O 3.08Å; R69-E177 PolarHBondContact NH2-O 3.3Å
70	K	83.2	Confident	76.3	Confident	155 Å²	155	79.3 Å²	79.3	67%	0.674	43%	0.434	S	S	*	.			trans	-82.5	139.1	170.8	-65.2	-178	-179.8	-179.8	0	109.5	V72 E73	K70-V72 PolarHBondContact O-N 3.45Å; K70-E73 PolarHBondContact N-OE1 2.99Å; K70-E73 WeakPolarHBondContact O-CB 3.45Å; K70-E73 PolarHBondContact O-N 3.34Å
71	P	84.8	Confident	78.6	Confident	61 Å²	61	74.5 Å²	74.5	40%	0.396	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-52.5	-26.6	178.4	-30.6	36.9	0	0	0	115.1	E73 L74	P71-E73 PolarHBondContact O-N 3.26Å; P71-E73 VanDerWaalsContact O-N 3.13Å; P71-L74 VanDerWaalsContact O-CB 3.3Å; P71-L74 WeakPolarHBondContact O-CB 3.41Å; P71-L74 WeakPolarHBondContact O-CD1 3.35Å; P71-L74 WeakPolarHBondContact O-CG 3.46Å; P71-L74 PolarHBondContact O-N 3.17Å
72	V	87.5	Confident	80.8	Confident	120 Å²	120	74.1 Å²	74.1	73%	0.727	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-52.6	-30.9	171.9	-177.4	0	0	0	0	112.7	K70 L74 Y75	K70-V72 PolarHBondContact O-N 3.45Å; V72-L74 PolarHBondContact O-N 2.66Å; V72-Y75 VanDerWaalsContact O-CD1 3.27Å; V72-Y75 WeakPolarHBondContact O-CD1 3.49Å; V72-Y75 PolarHBondContact O-N 3.17Å
73	E	88.4	Confident	83	Confident	46 Å²	46	75.4 Å²	75.4	22%	0.215	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-66	-5.3	178	-67.3	-171.3	-107	0	0	114.6	R69 K70 P71 Y75 K76 P77	R69-E73 WeakPolarHBondContact CA-OE1 3.45Å; R69-E73 VanDerWaalsContact CB-OE1 3.31Å; R69-E73 WeakPolarHBondContact CB-OE1 3.38Å; R69-E73 WeakPolarHBondContact CG-OE1 3.44Å; R69-E73 IonicContact NE-OE2 2.73Å; K70-E73 PolarHBondContact N-OE1 2.99Å; K70-E73 WeakPolarHBondContact O-CB 3.45Å; K70-E73 PolarHBondContact O-N 3.34Å; P71-E73 PolarHBondContact O-N 3.26Å; P71-E73 VanDerWaalsContact O-N 3.13Å; E73-Y75 PolarHBondContact O-N 3.08Å; E73-Y75 VanDerWaalsContact O-N 3.13Å; E73-K76 HydrophobicContact CB-CD 4.44Å; E73-K76 WeakPolarHBondContact O-CB 3.48Å; E73-K76 PolarHBondContact O-N 3.23Å; E73-K76 IonicContact OE2-NZ 2.69Å; E73-K76 PolarHBondContact OE2-NZ 2.91Å; E73-P77 VanDerWaalsContact O-CD 3.31Å; E73-P77 WeakPolarHBondContact O-CD 3.43Å
74	L	90.9	Very high	85.2	Confident	29 Å²	29	74.2 Å²	74.2	15%	0.152	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-59.4	-15.5	171.8	-73.1	171.2	0	0	0	114	P71 V72 K76 P77 L78 F174 T237 A240	P71-L74 VanDerWaalsContact O-CB 3.3Å; P71-L74 WeakPolarHBondContact O-CB 3.41Å; P71-L74 WeakPolarHBondContact O-CD1 3.35Å; P71-L74 WeakPolarHBondContact O-CG 3.46Å; P71-L74 PolarHBondContact O-N 3.17Å; V72-L74 PolarHBondContact O-N 2.66Å; L74-K76 PolarHBondContact O-N 3.5Å; L74-P77 HydrophobicContact CD2-CG 4.13Å; L74-P77 WeakPolarHBondContact O-CD 3.49Å; L74-P77 VanDerWaalsContact O-CG 3.28Å; L74-P77 WeakPolarHBondContact O-CG 3.49Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 PolarHBondContact O-N 3.18Å; L74-L78 VanDerWaalsContact O-N 3.12Å; L74-F174 HydrophobicContact CD2-CD2 4.13Å; L74-F174 HydrophobicContact CD2-CE2 3.9Å; L74-F174 HydrophobicContact CG-CE2 4.08Å; L74-T237 HydrophobicContact CD1-CG2 4.17Å; L74-A240 HydrophobicContact CD1-CB 3.94Å; L74-A240 HydrophobicContact CD2-CB 4.08Å; L74-A240 HydrophobicContact CG-CB 4.22Å
75	Y	92.6	Very high	87.6	Confident	134 Å²	134	70 Å²	70	53%	0.525	38%	0.375	S	S	.	.	H	α-helix	trans	-59.7	-30.2	169.1	79.6	-103.5	0	0	0	112.3	V72 E73 L79	V72-Y75 VanDerWaalsContact O-CD1 3.27Å; V72-Y75 WeakPolarHBondContact O-CD1 3.49Å; V72-Y75 PolarHBondContact O-N 3.17Å; E73-Y75 PolarHBondContact O-N 3.08Å; E73-Y75 VanDerWaalsContact O-N 3.13Å; Y75-L79 VanDerWaalsContact O-CB 3.26Å; Y75-L79 WeakPolarHBondContact O-CB 3.41Å; Y75-L79 PolarHBondContact O-N 2.81Å
76	K	94.1	Very high	89.5	Confident	76 Å²	76	68.7 Å²	68.7	33%	0.33	36%	0.361	S	S	.	.	H	α-helix	trans	-67.2	-53	-178.8	-59.9	174.2	-176.7	174.7	0	112.3	E73 L74 L78 F80 L179	E73-K76 HydrophobicContact CB-CD 4.44Å; E73-K76 WeakPolarHBondContact O-CB 3.48Å; E73-K76 PolarHBondContact O-N 3.23Å; E73-K76 IonicContact OE2-NZ 2.69Å; E73-K76 PolarHBondContact OE2-NZ 2.91Å; L74-K76 PolarHBondContact O-N 3.5Å; K76-L78 VanDerWaalsContact C-N 3.34Å; K76-F80 WeakPolarHBondContact O-CB 3.38Å; K76-F80 PolarHBondContact O-N 2.8Å; K76-L179 HydrophobicContact CB-CD2 4.35Å
77	P	94.4	Very high	91	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-66.4	-33.7	173.3	26.4	-34.8	0	0	0	112.2	E73 L74 F80 T81 L179 M183 L233 L236	E73-P77 VanDerWaalsContact O-CD 3.31Å; E73-P77 WeakPolarHBondContact O-CD 3.43Å; L74-P77 HydrophobicContact CD2-CG 4.13Å; L74-P77 WeakPolarHBondContact O-CD 3.49Å; L74-P77 VanDerWaalsContact O-CG 3.28Å; L74-P77 WeakPolarHBondContact O-CG 3.49Å; P77-F80 PolarHBondContact O-N 3.03Å; P77-T81 PolarHBondContact O-N 3.13Å; P77-T81 PolarHBondContact O-OG1 3.19Å; P77-L179 HydrophobicContact CG-CD2 4.25Å; P77-L179 HydrophobicContact CG-CG 4.29Å; P77-M183 HydrophobicContact CB-CE 3.65Å; P77-M183 HydrophobicContact CB-SD 3.29Å; P77-M183 WeakPolarHBondContact CB-SD 3.37Å; P77-L233 HydrophobicContact CB-CD1 3.86Å; P77-L233 HydrophobicContact CG-CD1 4.11Å; P77-L236 HydrophobicContact CB-CD1 4.23Å
78	L	95.3	Very high	91.9	Very high	85 Å²	85	67 Å²	67	45%	0.445	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-52.2	175	176.5	63.1	0	0	0	112.2	L74 K76 F80 T81 L82 L233	L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 PolarHBondContact O-N 3.18Å; L74-L78 VanDerWaalsContact O-N 3.12Å; K76-L78 VanDerWaalsContact C-N 3.34Å; L78-F80 VanDerWaalsContact C-N 3.29Å; L78-F80 PolarHBondContact O-N 3.35Å; L78-T81 WeakPolarHBondContact O-CB 3.22Å; L78-T81 PolarHBondContact O-N 3Å; L78-T81 VanDerWaalsContact O-N 3.17Å; L78-L82 HydrophobicContact CD1-CD1 4.38Å; L78-L82 HydrophobicContact CG-CD1 4.37Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 2.89Å; L78-L233 HydrophobicContact CB-CD1 4.41Å; L78-L233 HydrophobicContact CD1-CD2 3.86Å
79	L	95.7	Very high	92.7	Very high	112 Å²	112	62.3 Å²	62.3	59%	0.586	34%	0.335	S	S	*	.	H	α-helix	trans	-61.7	-38.2	177.6	-179.7	61.9	0	0	0	111.5	Y75 L82 A83	Y75-L79 VanDerWaalsContact O-CB 3.26Å; Y75-L79 WeakPolarHBondContact O-CB 3.41Å; Y75-L79 PolarHBondContact O-N 2.81Å; L79-L82 PolarHBondContact O-N 3.39Å; L79-A83 VanDerWaalsContact O-CB 3.3Å; L79-A83 WeakPolarHBondContact O-CB 3.43Å; L79-A83 PolarHBondContact O-N 2.9Å
80	F	96	Very high	93.3	Very high	57 Å²	57	63.6 Å²	63.6	25%	0.25	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-46	173.1	176.8	-100	0	0	0	112	K76 P77 L78 L82 A83 F84 C180 M183 V229	K76-F80 WeakPolarHBondContact O-CB 3.38Å; K76-F80 PolarHBondContact O-N 2.8Å; P77-F80 PolarHBondContact O-N 3.03Å; L78-F80 VanDerWaalsContact C-N 3.29Å; L78-F80 PolarHBondContact O-N 3.35Å; F80-L82 PolarHBondContact O-N 3.31Å; F80-A83 PolarHBondContact O-N 3.34Å; F80-F84 HydrophobicContact CZ-CD2 4.49Å; F80-F84 WeakPolarHBondContact O-CB 3.45Å; F80-F84 PolarHBondContact O-N 3.01Å; F80-C180 HydrophobicContact CB-CB 3.93Å; F80-C180 HydrophobicContact CD1-CB 4.11Å; F80-C180 HydrophobicContact CD2-CB 3.82Å; F80-C180 WeakPolarHBondContact CE1-O 3.49Å; F80-C180 HydrophobicContact CE2-CB 4.37Å; F80-C180 HydrophobicContact CG-CB 3.67Å; F80-M183 HydrophobicContact CD1-CB 4.45Å; F80-M183 HydrophobicContact CD1-CE 4.38Å; F80-M183 HydrophobicContact CD1-SD 3.77Å; F80-M183 HydrophobicContact CE1-CB 4.15Å; F80-M183 HydrophobicContact CE1-SD 4.38Å; F80-V229 HydrophobicContact CD1-CG1 3.94Å; F80-V229 HydrophobicContact CE1-CG1 3.82Å; F80-V229 HydrophobicContact CE1-CG2 4.49Å
81	T	96.6	Very high	93.9	Very high	10 Å²	10	57.2 Å²	57.2	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-45.9	176.7	-60.5	0	0	0	0	111.9	P77 L78 G85 M183 V229 V230 L233	P77-T81 PolarHBondContact O-N 3.13Å; P77-T81 PolarHBondContact O-OG1 3.19Å; L78-T81 WeakPolarHBondContact O-CB 3.22Å; L78-T81 PolarHBondContact O-N 3Å; L78-T81 VanDerWaalsContact O-N 3.17Å; T81-G85 PolarHBondContact O-N 2.93Å; T81-M183 VanDerWaalsContact OG1-CE 3.3Å; T81-M183 WeakPolarHBondContact OG1-CE 3.44Å; T81-V229 HydrophobicContact CG2-CG1 4.18Å; T81-V229 WeakPolarHBondContact OG1-CG1 3.11Å; T81-V230 HydrophobicContact CG2-CB 4.45Å; T81-V230 HydrophobicContact CG2-CG2 3.55Å; T81-L233 HydrophobicContact CG2-CD2 4.2Å
82	L	95.9	Very high	94.4	Very high	106 Å²	106	54.6 Å²	54.6	56%	0.555	31%	0.307	S	S	*	.	H	α-helix	trans	-64.9	-50	179.5	-67.3	172.1	0	0	0	111.7	L78 L79 F80 F84 G85 G86	L78-L82 HydrophobicContact CD1-CD1 4.38Å; L78-L82 HydrophobicContact CG-CD1 4.37Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 2.89Å; L79-L82 PolarHBondContact O-N 3.39Å; F80-L82 PolarHBondContact O-N 3.31Å; L82-F84 PolarHBondContact O-N 3.42Å; L82-G85 PolarHBondContact O-N 3.4Å; L82-G86 PolarHBondContact O-N 3.15Å
83	A	96.6	Very high	94.7	Very high	56 Å²	56	49 Å²	49	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-39.7	179.8	0	0	0	0	0	112.3	L79 F80 S87	L79-A83 VanDerWaalsContact O-CB 3.3Å; L79-A83 WeakPolarHBondContact O-CB 3.43Å; L79-A83 PolarHBondContact O-N 2.9Å; F80-A83 PolarHBondContact O-N 3.34Å; A83-S87 VanDerWaalsContact O-CB 3.28Å; A83-S87 WeakPolarHBondContact O-CB 3.32Å; A83-S87 PolarHBondContact O-N 3.04Å; A83-S87 PolarHBondContact O-OG 3.45Å
84	F	96.4	Very high	94.9	Very high	40 Å²	40	48 Å²	48	18%	0.175	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-45.8	177.7	-177	-102	0	0	0	111.8	F80 L82 G86 S87 C88 L184 L225 V229	F80-F84 HydrophobicContact CZ-CD2 4.49Å; F80-F84 WeakPolarHBondContact O-CB 3.45Å; F80-F84 PolarHBondContact O-N 3.01Å; L82-F84 PolarHBondContact O-N 3.42Å; F84-G86 PolarHBondContact O-N 2.76Å; F84-S87 PolarHBondContact O-N 2.73Å; F84-C88 WeakPolarHBondContact O-CB 3.47Å; F84-C88 PolarHBondContact O-N 3.31Å; F84-L184 HydrophobicContact CE1-CD1 3.92Å; F84-L184 HydrophobicContact CE2-CD1 4.48Å; F84-L184 HydrophobicContact CE2-CD2 3.7Å; F84-L184 HydrophobicContact CZ-CD1 3.59Å; F84-L184 HydrophobicContact CZ-CD2 3.64Å; F84-L184 HydrophobicContact CZ-CG 4.2Å; F84-L225 HydrophobicContact CE1-CB 3.95Å; F84-L225 HydrophobicContact CZ-CB 4.16Å; F84-V229 HydrophobicContact CD1-CB 4.18Å; F84-V229 HydrophobicContact CD1-CG1 4.4Å; F84-V229 HydrophobicContact CD1-CG2 3.69Å; F84-V229 HydrophobicContact CE1-CG2 3.67Å
85	G	95.2	Very high	95	Very high	10 Å²	10	51.4 Å²	51.4	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-45.7	176.6	0	0	0	0	0	112.6	T81 L82 S87 C88 F89	T81-G85 PolarHBondContact O-N 2.93Å; L82-G85 PolarHBondContact O-N 3.4Å; G85-S87 PolarHBondContact O-N 3.47Å; G85-C88 PolarHBondContact O-N 3.06Å; G85-F89 PolarHBondContact O-N 2.88Å
86	G	94.9	Very high	95	Very high	34 Å²	34	47.7 Å²	47.7	35%	0.351	27%	0.267	S	S	.	.	H	α-helix	trans	-61.1	-42.6	173.2	0	0	0	0	0	112.8	L82 F84 C88 F89 V90	L82-G86 PolarHBondContact O-N 3.15Å; F84-G86 PolarHBondContact O-N 2.76Å; G86-C88 PolarHBondContact O-N 3.02Å; G86-F89 PolarHBondContact O-N 3.24Å; G86-V90 WeakPolarHBondContact O-CB 3.5Å; G86-V90 WeakPolarHBondContact O-CG2 3.42Å; G86-V90 PolarHBondContact O-N 3.35Å
87	S	95.8	Very high	94.8	Very high	82 Å²	82	46 Å²	46	57%	0.573	26%	0.26	S	S	*	.	H	α-helix	trans	-63.7	-38.6	175.7	-60.4	0	0	0	0	112.6	A83 F84 G85 G91	A83-S87 VanDerWaalsContact O-CB 3.28Å; A83-S87 WeakPolarHBondContact O-CB 3.32Å; A83-S87 PolarHBondContact O-N 3.04Å; A83-S87 PolarHBondContact O-OG 3.45Å; F84-S87 PolarHBondContact O-N 2.73Å; G85-S87 PolarHBondContact O-N 3.47Å; S87-G91 PolarHBondContact O-N 3.04Å
88	C	95.6	Very high	94.6	Very high	18 Å²	18	49 Å²	49	12%	0.122	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-44.8	174	-82.1	0	0	0	0	111.8	F84 G85 G86 A92 A222	F84-C88 WeakPolarHBondContact O-CB 3.47Å; F84-C88 PolarHBondContact O-N 3.31Å; G85-C88 PolarHBondContact O-N 3.06Å; G86-C88 PolarHBondContact O-N 3.02Å; C88-A92 WeakPolarHBondContact O-CB 3.34Å; C88-A92 PolarHBondContact O-N 3.05Å; C88-A222 HydrophobicContact CB-CB 4.38Å
89	F	94.8	Very high	94.2	Very high	51 Å²	51	46.8 Å²	46.8	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-50.5	176.8	-178.2	-85.6	0	0	0	112	G85 G86 A92 S93 W327 W328 R331 V334	G85-F89 PolarHBondContact O-N 2.88Å; G86-F89 PolarHBondContact O-N 3.24Å; F89-A92 PolarHBondContact O-N 3.14Å; F89-S93 WeakPolarHBondContact O-CB 3.39Å; F89-S93 PolarHBondContact O-N 2.83Å; F89-S93 PolarHBondContact O-OG 3.38Å; F89-W327 WeakPolarHBondContact CZ-O 3.27Å; F89-W328 AromaticContact CD2-CE3 3.79Å; F89-W328 HydrophobicContact CD2-CE3 3.79Å; F89-W328 HydrophobicContact CD2-CZ3 4.1Å; F89-W328 AromaticContact CE2-CE3 3.63Å; F89-W328 HydrophobicContact CE2-CE3 3.63Å; F89-W328 HydrophobicContact CE2-CZ3 4.29Å; F89-W328 HydrophobicContact CZ-CE3 4.36Å; F89-R331 HydrophobicContact CE1-CB 4.17Å; F89-R331 HydrophobicContact CZ-CB 3.92Å; F89-V334 HydrophobicContact CE1-CG2 4.12Å
90	V	95	Very high	93.6	Very high	53 Å²	53	48.8 Å²	48.8	32%	0.321	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-47.7	179.5	170	0	0	0	0	111.1	G86 A92 S93 I94 V334	G86-V90 WeakPolarHBondContact O-CB 3.5Å; G86-V90 WeakPolarHBondContact O-CG2 3.42Å; G86-V90 PolarHBondContact O-N 3.35Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 3.11Å; V90-S93 PolarHBondContact O-N 2.72Å; V90-I94 HydrophobicContact CG1-CD1 3.76Å; V90-I94 WeakPolarHBondContact O-CG1 3.11Å; V90-I94 PolarHBondContact O-N 2.96Å; V90-V334 HydrophobicContact CB-CG1 4.26Å; V90-V334 HydrophobicContact CG1-CG1 3.87Å; V90-V334 HydrophobicContact CG2-CG1 4.08Å; V90-V334 HydrophobicContact CG2-CG2 4.45Å
91	G	95.2	Very high	93	Very high	22 Å²	22	47.3 Å²	47.3	23%	0.227	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-35.6	179.8	0	0	0	0	0	113.5	S87 W95	S87-G91 PolarHBondContact O-N 3.04Å; G91-W95 VanDerWaalsContact O-CB 3.29Å; G91-W95 WeakPolarHBondContact O-CB 3.28Å; G91-W95 PolarHBondContact O-N 3.45Å
92	A	95.2	Very high	92.2	Very high	6 Å²	6	52.9 Å²	52.9	5%	0.05	29%	0.285	C	S	.	.	H	α-helix	trans	-74.7	-37	174.5	0	0	0	0	0	112.6	C88 F89 V90 W95 Q96 E218 A222 W328	C88-A92 WeakPolarHBondContact O-CB 3.34Å; C88-A92 PolarHBondContact O-N 3.05Å; F89-A92 PolarHBondContact O-N 3.14Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 3.11Å; A92-W95 PolarHBondContact O-N 2.94Å; A92-Q96 PolarHBondContact O-N 2.94Å; A92-E218 HydrophobicContact CB-CB 4.19Å; A92-E218 WeakPolarHBondContact CB-O 3.42Å; A92-A222 HydrophobicContact CB-CB 3.83Å; A92-W328 HydrophobicContact CB-CH2 3.73Å; A92-W328 HydrophobicContact CB-CZ3 4.15Å
93	S	93.9	Very high	91.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-44.5	175.4	-58.5	0	0	0	0	111.7	F89 V90 Q96 Y97	F89-S93 WeakPolarHBondContact O-CB 3.39Å; F89-S93 PolarHBondContact O-N 2.83Å; F89-S93 PolarHBondContact O-OG 3.38Å; V90-S93 PolarHBondContact O-N 2.72Å; S93-Q96 PolarHBondContact O-N 2.91Å; S93-Y97 PolarHBondContact O-N 2.88Å
94	I	92.9	Very high	90	Very high	25 Å²	25	54.9 Å²	54.9	13%	0.128	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-43	174.2	-66.7	167.1	0	0	0	110.7	V90 Q96 Y97 E98 Y338	V90-I94 HydrophobicContact CG1-CD1 3.76Å; V90-I94 WeakPolarHBondContact O-CG1 3.11Å; V90-I94 PolarHBondContact O-N 2.96Å; I94-Q96 PolarHBondContact O-N 3.2Å; I94-Y97 PolarHBondContact O-N 3.18Å; I94-E98 HydrophobicContact CG2-CG 4.24Å; I94-E98 WeakPolarHBondContact O-CG 3.42Å; I94-E98 PolarHBondContact O-N 3.03Å; I94-Y338 HydrophobicContact CD1-CD2 3.63Å; I94-Y338 HydrophobicContact CD1-CE2 4.08Å; I94-Y338 HydrophobicContact CD1-CG 4.22Å; I94-Y338 HydrophobicContact CG1-CD2 3.82Å; I94-Y338 HydrophobicContact CG1-CE2 4.29Å; I94-Y338 HydrophobicContact CG1-CG 3.93Å; I94-Y338 HydrophobicContact CG2-CD1 4.26Å; I94-Y338 HydrophobicContact CG2-CD2 3.97Å; I94-Y338 HydrophobicContact CG2-CE1 3.9Å; I94-Y338 HydrophobicContact CG2-CE2 3.58Å; I94-Y338 HydrophobicContact CG2-CG 4.29Å
95	W	93.7	Very high	88.8	Confident	101 Å²	101	58.7 Å²	58.7	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-59.7	-44.4	176.6	-177.7	9.7	0	0	0	111.3	G91 A92 Y97 E98 S99 L217 E218	G91-W95 VanDerWaalsContact O-CB 3.29Å; G91-W95 WeakPolarHBondContact O-CB 3.28Å; G91-W95 PolarHBondContact O-N 3.45Å; A92-W95 PolarHBondContact O-N 2.94Å; W95-Y97 VanDerWaalsContact C-N 3.31Å; W95-Y97 PolarHBondContact O-N 3.35Å; W95-E98 PolarHBondContact O-N 3.47Å; W95-S99 VanDerWaalsContact CD1-OG 3.27Å; W95-S99 PolarHBondContact NE1-OG 2.86Å; W95-S99 WeakPolarHBondContact O-CB 3.32Å; W95-S99 PolarHBondContact O-N 2.99Å; W95-S99 PolarHBondContact O-OG 3.36Å; W95-S99 VanDerWaalsContact O-OG 3.07Å; W95-L217 HydrophobicContact CH2-CD2 4.08Å; W95-L217 HydrophobicContact CH2-CG 4.19Å; W95-L217 HydrophobicContact CZ2-CD2 3.81Å; W95-L217 HydrophobicContact CZ2-CG 4.37Å; W95-E218 HydrophobicContact CB-CG 4.09Å; W95-E218 HydrophobicContact CD2-CG 3.68Å; W95-E218 HydrophobicContact CE3-CG 3.89Å; W95-E218 HydrophobicContact CG-CG 3.81Å; W95-E218 HydrophobicContact CZ3-CG 4.5Å
96	Q	92	Very high	87.4	Confident	56 Å²	56	63.1 Å²	63.1	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-38.9	178.3	-165.9	-180	19.2	0	0	112.2	A92 S93 I94 Y100 E218 R331	A92-Q96 PolarHBondContact O-N 2.94Å; S93-Q96 PolarHBondContact O-N 2.91Å; I94-Q96 PolarHBondContact O-N 3.2Å; Q96-Y100 WeakPolarHBondContact O-CB 3.35Å; Q96-Y100 PolarHBondContact O-N 3.21Å; Q96-E218 HydrophobicContact CB-CB 4.16Å; Q96-E218 HydrophobicContact CB-CG 4.02Å; Q96-R331 VanDerWaalsContact OE1-CZ 3.27Å
97	Y	90.4	Very high	86	Confident	42 Å²	42	66.2 Å²	66.2	17%	0.165	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-47.1	174.7	174.9	-107.5	0	0	0	112.4	S93 I94 W95 Y100 C101 V335 Y338	S93-Y97 PolarHBondContact O-N 2.88Å; I94-Y97 PolarHBondContact O-N 3.18Å; W95-Y97 VanDerWaalsContact C-N 3.31Å; W95-Y97 PolarHBondContact O-N 3.35Å; Y97-Y100 PolarHBondContact O-N 3.3Å; Y97-C101 VanDerWaalsContact CE2-SG 3.53Å; Y97-C101 VanDerWaalsContact CZ-SG 3.54Å; Y97-C101 PolarHBondContact O-N 2.98Å; Y97-C101 PolarHBondContact O-SG 2.98Å; Y97-V335 HydrophobicContact CD1-CG1 4.36Å; Y97-V335 HydrophobicContact CD2-CG1 3.34Å; Y97-V335 HydrophobicContact CE2-CG1 3.79Å; Y97-V335 HydrophobicContact CG-CG1 3.66Å; Y97-Y338 AromaticContact CD1-CD1 3.84Å; Y97-Y338 HydrophobicContact CD1-CD1 3.84Å; Y97-Y338 AromaticContact CD1-CE1 3.9Å; Y97-Y338 HydrophobicContact CD1-CE1 3.9Å; Y97-Y338 AromaticContact CE1-CD1 3.98Å; Y97-Y338 HydrophobicContact CE1-CD1 3.98Å; Y97-Y338 HydrophobicContact CE1-CE1 4.05Å
98	E	88.8	Confident	84.3	Confident	63 Å²	63	67.4 Å²	67.4	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-41.9	176.6	-69.5	-75.1	168.2	0	0	112.1	I2 I94 W95 Y100 C101 K102 Y338	I2-E98 HydrophobicContact CD1-CG 4.44Å; I94-E98 HydrophobicContact CG2-CG 4.24Å; I94-E98 WeakPolarHBondContact O-CG 3.42Å; I94-E98 PolarHBondContact O-N 3.03Å; W95-E98 PolarHBondContact O-N 3.47Å; E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 2.85Å; E98-C101 PolarHBondContact O-N 3.23Å; E98-K102 WeakPolarHBondContact O-CB 3.47Å; E98-K102 PolarHBondContact O-N 3.18Å; E98-Y338 HydrophobicContact CG-CE1 4.5Å; E98-Y338 VanDerWaalsContact OE1-CE1 3.25Å; E98-Y338 WeakPolarHBondContact OE1-CE1 3.49Å; E98-Y338 VanDerWaalsContact OE1-CZ 3.31Å; E98-Y338 PolarHBondContact OE1-OH 3.34Å
99	S	86.7	Confident	82.7	Confident	37 Å²	37	68.6 Å²	68.6	26%	0.259	34%	0.34	S	S	.	.	H	α-helix	trans	-56.4	-44.9	172.7	-69.9	0	0	0	0	111.1	W95 S103 E218	W95-S99 VanDerWaalsContact CD1-OG 3.27Å; W95-S99 PolarHBondContact NE1-OG 2.86Å; W95-S99 WeakPolarHBondContact O-CB 3.32Å; W95-S99 PolarHBondContact O-N 2.99Å; W95-S99 PolarHBondContact O-OG 3.36Å; W95-S99 VanDerWaalsContact O-OG 3.07Å; S99-S103 WeakPolarHBondContact O-CB 3.35Å; S99-S103 PolarHBondContact O-N 2.76Å; S99-S103 VanDerWaalsContact O-N 3.1Å; S99-S103 PolarHBondContact O-OG 3Å; S99-E218 WeakPolarHBondContact CB-OE1 3.5Å; S99-E218 PolarHBondContact OG-OE1 2.77Å
100	Y	84.8	Confident	80.6	Confident	154 Å²	154	69.4 Å²	69.4	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-68.9	-49.1	179.7	177.3	-97.7	0	0	0	112.1	Q96 Y97 E98 K102 S103 R104	Q96-Y100 WeakPolarHBondContact O-CB 3.35Å; Q96-Y100 PolarHBondContact O-N 3.21Å; Y97-Y100 PolarHBondContact O-N 3.3Å; E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 2.85Å; Y100-K102 VanDerWaalsContact C-N 3.32Å; Y100-K102 PolarHBondContact O-N 2.89Å; Y100-S103 WeakPolarHBondContact O-CB 3.22Å; Y100-S103 PolarHBondContact O-N 3.27Å; Y100-S103 VanDerWaalsContact O-N 3.11Å; Y100-R104 PolarHBondContact O-N 3.15Å
101	C	82.1	Confident	78.6	Confident	27 Å²	27	75.1 Å²	75.1	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-58.4	-44.7	179.8	-67.3	0	0	0	0	111.7	Y97 E98 S103 R104 E105	Y97-C101 VanDerWaalsContact CE2-SG 3.53Å; Y97-C101 VanDerWaalsContact CZ-SG 3.54Å; Y97-C101 PolarHBondContact O-N 2.98Å; Y97-C101 PolarHBondContact O-SG 2.98Å; E98-C101 PolarHBondContact O-N 3.23Å; C101-S103 PolarHBondContact O-N 3.45Å; C101-R104 PolarHBondContact O-N 3.01Å; C101-E105 PolarHBondContact O-N 3.04Å
102	K	79.8	Confident	76.4	Confident	126 Å²	126	77.4 Å²	77.4	55%	0.548	38%	0.375	S	S	.	.	H	α-helix	trans	-66.3	-34.7	176.3	-176.9	172.9	-178.7	175.1	0	113.5	E98 Y100 R104 E105 I106	E98-K102 WeakPolarHBondContact O-CB 3.47Å; E98-K102 PolarHBondContact O-N 3.18Å; Y100-K102 VanDerWaalsContact C-N 3.32Å; Y100-K102 PolarHBondContact O-N 2.89Å; K102-R104 VanDerWaalsContact C-N 3.34Å; K102-E105 WeakPolarHBondContact O-CB 3.47Å; K102-E105 PolarHBondContact O-N 3.3Å; K102-I106 HydrophobicContact CG-CD1 4.27Å; K102-I106 WeakPolarHBondContact O-CG1 3.37Å; K102-I106 PolarHBondContact O-N 3.43Å; K102-I106 VanDerWaalsContact O-N 3.1Å
103	S	75.8	Confident	74.3	Confident	71 Å²	71	85.6 Å²	85.6	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-44.2	175.2	-58.7	0	0	0	0	110.4	S99 Y100 C101 I106 T107	S99-S103 WeakPolarHBondContact O-CB 3.35Å; S99-S103 PolarHBondContact O-N 2.76Å; S99-S103 VanDerWaalsContact O-N 3.1Å; S99-S103 PolarHBondContact O-OG 3Å; Y100-S103 WeakPolarHBondContact O-CB 3.22Å; Y100-S103 PolarHBondContact O-N 3.27Å; Y100-S103 VanDerWaalsContact O-N 3.11Å; C101-S103 PolarHBondContact O-N 3.45Å; S103-I106 PolarHBondContact O-N 2.97Å; S103-T107 PolarHBondContact O-N 2.87Å; S103-T107 VanDerWaalsContact O-N 3.07Å; S103-T107 PolarHBondContact O-OG1 2.71Å
104	R	71.7	Confident	72.1	Confident	133 Å²	133	90.8 Å²	90.8	50%	0.502	43%	0.43	S	S	.	.	H	α-helix	trans	-63.7	-39.9	174.9	-168.4	-177.2	69.2	172.1	2.9	112.8	Y100 C101 K102 I106 T107 L108	Y100-R104 PolarHBondContact O-N 3.15Å; C101-R104 PolarHBondContact O-N 3.01Å; K102-R104 VanDerWaalsContact C-N 3.34Å; R104-I106 VanDerWaalsContact C-N 3.34Å; R104-I106 PolarHBondContact O-N 3.38Å; R104-T107 PolarHBondContact O-N 3.05Å; R104-L108 HydrophobicContact CG-CD1 4.09Å; R104-L108 WeakPolarHBondContact O-CG 3.33Å; R104-L108 PolarHBondContact O-N 3.45Å
105	E	70.2	Confident	70.1	Confident	121 Å²	121	98.4 Å²	98.4	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-55.5	-47.8	172.9	-173.5	-162.7	169.8	0	0	111	C101 K102 T107 L108 D109	C101-E105 PolarHBondContact O-N 3.04Å; K102-E105 WeakPolarHBondContact O-CB 3.47Å; K102-E105 PolarHBondContact O-N 3.3Å; E105-T107 PolarHBondContact O-N 2.93Å; E105-L108 PolarHBondContact O-N 3.32Å; E105-D109 VanDerWaalsContact O-CB 3.26Å; E105-D109 WeakPolarHBondContact O-CB 3.32Å; E105-D109 PolarHBondContact O-N 3.07Å
106	I	66.3	Low	68.1	Low	103 Å²	103	99.8 Å²	99.8	53%	0.528	47%	0.471	S	S	.	.	H	α-helix	trans	-64.4	-38.8	178.5	-67	165.4	0	0	0	111.7	K102 S103 R104 S110	K102-I106 HydrophobicContact CG-CD1 4.27Å; K102-I106 WeakPolarHBondContact O-CG1 3.37Å; K102-I106 PolarHBondContact O-N 3.43Å; K102-I106 VanDerWaalsContact O-N 3.1Å; S103-I106 PolarHBondContact O-N 2.97Å; R104-I106 VanDerWaalsContact C-N 3.34Å; R104-I106 PolarHBondContact O-N 3.38Å; I106-S110 PolarHBondContact O-N 3.35Å
107	T	65.1	Low	65.8	Low	99 Å²	99	105.4 Å²	105.4	61%	0.607	50%	0.495	S	S	*	.	H	α-helix	trans	-63.8	-38.1	175	-54	0	0	0	0	112.3	S103 R104 E105 S110	S103-T107 PolarHBondContact O-N 2.87Å; S103-T107 VanDerWaalsContact O-N 3.07Å; S103-T107 PolarHBondContact O-OG1 2.71Å; R104-T107 PolarHBondContact O-N 3.05Å; E105-T107 PolarHBondContact O-N 2.93Å; T107-S110 WeakPolarHBondContact O-CB 3.04Å; T107-S110 PolarHBondContact O-OG 3.1Å
108	L	61	Low	63.9	Low	107 Å²	107	114.2 Å²	114.2	56%	0.56	53%	0.528	S	S	*	.	H	α-helix	trans	-80.1	-37.6	-179.7	-67.8	170.1	0	0	0	112.9	R104 E105 S110 R111	R104-L108 HydrophobicContact CG-CD1 4.09Å; R104-L108 WeakPolarHBondContact O-CG 3.33Å; R104-L108 PolarHBondContact O-N 3.45Å; E105-L108 PolarHBondContact O-N 3.32Å; L108-S110 PolarHBondContact O-N 2.95Å; L108-R111 PolarHBondContact O-N 2.8Å
109	D	60.5	Low	62.2	Low	43 Å²	43	119.6 Å²	119.6	23%	0.23	55%	0.553	C	S	.	*	H	α-helix	trans	-71.2	-5	176.3	-170.4	52.9	0	0	0	113.3	E105 R111 N112 K116	E105-D109 VanDerWaalsContact O-CB 3.26Å; E105-D109 WeakPolarHBondContact O-CB 3.32Å; E105-D109 PolarHBondContact O-N 3.07Å; D109-R111 PolarHBondContact O-N 2.78Å; D109-R111 VanDerWaalsContact O-N 3.09Å; D109-N112 PolarHBondContact O-N 3.3Å; D109-N112 WeakPolarHBondContact OD1-CB 3.06Å; D109-N112 PolarHBondContact OD1-ND2 3.32Å; D109-K116 IonicContact OD2-NZ 3.71Å; D109-K116 PolarHBondContact OD2-NZ 2.8Å
110	S	52.2	Low	60.7	Low	67 Å²	67	123.4 Å²	123.4	47%	0.469	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-51.3	-27.4	164.3	65.7	0	0	0	0	112.7	I106 T107 L108 N112 W113	I106-S110 PolarHBondContact O-N 3.35Å; T107-S110 WeakPolarHBondContact O-CB 3.04Å; T107-S110 PolarHBondContact O-OG 3.1Å; L108-S110 PolarHBondContact O-N 2.95Å; S110-N112 PolarHBondContact O-N 2.93Å; S110-W113 WeakPolarHBondContact O-CB 3.37Å; S110-W113 VanDerWaalsContact O-CD1 3.24Å; S110-W113 PolarHBondContact O-N 2.91Å; S110-W113 VanDerWaalsContact O-N 3.16Å
111	R	51.9	Low	59.1	Low	173 Å²	173	123.5 Å²	123.5	65%	0.653	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-68.4	-11.9	174.4	-65.2	168.3	79.6	156.2	-2	113.8	L108 D109 L898	L108-R111 PolarHBondContact O-N 2.8Å; D109-R111 PolarHBondContact O-N 2.78Å; D109-R111 VanDerWaalsContact O-N 3.09Å; R111-L898 VanDerWaalsContact NH2-CD2 3.3Å
112	N	50	Low	57.7	Low	71 Å²	71	132.1 Å²	132.1	38%	0.38	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-109.7	14.4	172.7	-60.1	-55.5	0	0	0	113.3	D109 S110 M114 F115	D109-N112 PolarHBondContact O-N 3.3Å; D109-N112 WeakPolarHBondContact OD1-CB 3.06Å; D109-N112 PolarHBondContact OD1-ND2 3.32Å; S110-N112 PolarHBondContact O-N 2.93Å; N112-M114 PolarHBondContact O-N 3.46Å; N112-F115 PolarHBondContact O-N 3.38Å
113	W	50	Low	57.4	Low	178 Å²	178	127.9 Å²	127.9	67%	0.674	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-46.7	-36.2	-173.9	70.6	-81.8	0	0	0	114.7	S110 F115 K116	S110-W113 WeakPolarHBondContact O-CB 3.37Å; S110-W113 VanDerWaalsContact O-CD1 3.24Å; S110-W113 PolarHBondContact O-N 2.91Å; S110-W113 VanDerWaalsContact O-N 3.16Å; W113-F115 PolarHBondContact O-N 3.35Å; W113-K116 PolarHBondContact O-N 2.99Å
114	M	48.8	Very low	57.5	Low	109 Å²	109	132.1 Å²	132.1	54%	0.537	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-52.7	-26	179.6	-157	-173.1	-58.2	0	0	114.7	N112	N112-M114 PolarHBondContact O-N 3.46Å
115	F	51.4	Low	58	Low	185 Å²	185	131.5 Å²	131.5	81%	0.811	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-103.6	8.9	179.1	-69.8	-76.5	0	0	0	114	N112 W113	N112-F115 PolarHBondContact O-N 3.38Å; W113-F115 PolarHBondContact O-N 3.35Å
116	K	50.1	Low	58.3	Low	130 Å²	130	132.1 Å²	132.1	57%	0.565	61%	0.608	S	S	*	*			trans	-112.5	32.9	-173.4	-129.5	167.5	-169.7	168.7	0	113.9	D109 W113 R118	D109-K116 IonicContact OD2-NZ 3.71Å; D109-K116 PolarHBondContact OD2-NZ 2.8Å; W113-K116 PolarHBondContact O-N 2.99Å; K116-R118 PolarHBondContact O-N 2.54Å
117	F	44	Very low	58.9	Low	174 Å²	174	130.4 Å²	130.4	76%	0.763	60%	0.597	S	S	*	*			trans	-62.4	78.1	163.8	-73.3	-75.2	0	0	0	110.9	E119	F117-E119 PolarHBondContact O-N 2.93Å; F117-E119 VanDerWaalsContact O-N 3.15Å
118	R	51.4	Low	59.7	Low	228 Å²	228	131.6 Å²	131.6	86%	0.86	60%	0.596	S	S	*	*			trans	-74.3	101.3	173.2	-176.4	-171.8	-166.5	-171.3	4.6	108	K116 E120	K116-R118 PolarHBondContact O-N 2.54Å; R118-E120 PolarHBondContact O-N 3.01Å
119	E	51.9	Low	60.8	Low	175 Å²	175	131.4 Å²	131.4	82%	0.818	60%	0.595	S	S	*	*			trans	-41.3	109.8	175.6	-64.9	-179.8	159.9	0	0	111.5	F117 K121	F117-E119 PolarHBondContact O-N 2.93Å; F117-E119 VanDerWaalsContact O-N 3.15Å; E119-K121 PolarHBondContact O-N 3.19Å
120	E	55.2	Low	61.9	Low	118 Å²	118	132.6 Å²	132.6	55%	0.551	60%	0.602	S	S	*	*			trans	-67.7	129.3	171.4	-67.8	-137.9	141.8	0	0	108.5	R118 Y122 Q127	R118-E120 PolarHBondContact O-N 3.01Å; E120-Y122 VanDerWaalsContact C-N 3.28Å; E120-Y122 WeakPolarHBondContact O-CD2 3.33Å; E120-Y122 PolarHBondContact O-N 3.34Å; E120-Q127 PolarHBondContact OE2-NE2 2.94Å; E120-Q127 VanDerWaalsContact OE2-NE2 3.08Å
121	K	51.2	Low	63.4	Low	155 Å²	155	134.2 Å²	134.2	67%	0.674	61%	0.605	S	S	*	*			trans	-78.3	86.2	177.9	-63.9	-155.2	173	-156.4	0	109.1	E119 R126	E119-K121 PolarHBondContact O-N 3.19Å; K121-R126 WeakPolarHBondContact O-CD 3.16Å
122	Y	52.8	Low	64.9	Low	208 Å²	208	130.4 Å²	130.4	82%	0.816	60%	0.597	S	S	*	*			trans	-42.3	141.9	-178.6	-72.4	-86	0	0	0	113.7	E120	E120-Y122 VanDerWaalsContact C-N 3.28Å; E120-Y122 WeakPolarHBondContact O-CD2 3.33Å; E120-Y122 PolarHBondContact O-N 3.34Å
123	G	73.1	Confident	66.6	Low	37 Å²	37	131.3 Å²	131.3	38%	0.381	60%	0.595	S	S	.	*			trans	151.4	113.7	179.8	0	0	0	0	0	109.6	L125 R126 Q127	G123-L125 PolarHBondContact O-N 3.16Å; G123-R126 WeakPolarHBondContact O-CA 3.37Å; G123-R126 VanDerWaalsContact O-CB 3.25Å; G123-R126 WeakPolarHBondContact O-CB 3.45Å; G123-R126 PolarHBondContact O-N 3.49Å; G123-Q127 PolarHBondContact O-N 3.34Å
124	E	78.9	Confident	68.3	Low	160 Å²	160	129.4 Å²	129.4	75%	0.748	59%	0.594	S	S	*	*	H	α-helix	trans	-48.9	-59.9	-173.1	-174.5	172.2	-147	0	0	112.9	R126 Q127 E128	E124-R126 PolarHBondContact O-N 2.93Å; E124-Q127 WeakPolarHBondContact O-CA 3.32Å; E124-Q127 PolarHBondContact O-N 3.02Å; E124-E128 PolarHBondContact O-N 3.06Å
125	L	81.8	Confident	70	Confident	121 Å²	121	131.6 Å²	131.6	63%	0.634	60%	0.603	S	S	*	*	H	α-helix	trans	-53.4	-28.5	175.1	178.2	151.4	0	0	0	113.7	G123 L129	G123-L125 PolarHBondContact O-N 3.16Å; L125-L129 HydrophobicContact CD2-CD1 3.7Å; L125-L129 HydrophobicContact CD2-CG 4.43Å; L125-L129 HydrophobicContact CG-CD1 4.49Å; L125-L129 WeakPolarHBondContact O-CB 3.41Å; L125-L129 VanDerWaalsContact O-CG 3.26Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.17Å
126	R	77.5	Confident	71.7	Confident	133 Å²	133	125.2 Å²	125.2	50%	0.502	58%	0.577	S	S	.	*	H	α-helix	trans	-77.8	-38	175.8	-173.2	-176.5	-176.8	142.8	8.2	111.7	K121 G123 E124 N130	K121-R126 WeakPolarHBondContact O-CD 3.16Å; G123-R126 WeakPolarHBondContact O-CA 3.37Å; G123-R126 VanDerWaalsContact O-CB 3.25Å; G123-R126 WeakPolarHBondContact O-CB 3.45Å; G123-R126 PolarHBondContact O-N 3.49Å; E124-R126 PolarHBondContact O-N 2.93Å; R126-N130 VanDerWaalsContact O-CB 3.31Å; R126-N130 WeakPolarHBondContact O-CB 3.33Å; R126-N130 PolarHBondContact O-N 3.07Å; R126-N130 PolarHBondContact O-ND2 3.33Å; R126-N130 PolarHBondContact O-OD1 3.12Å
127	Q	78.2	Confident	73.6	Confident	67 Å²	67	121 Å²	121	31%	0.313	56%	0.564	S	S	.	*	H	α-helix	trans	-68.3	-40.2	174	-75.5	173.7	-46.5	0	0	110.6	E120 G123 E124 N130 N131	E120-Q127 PolarHBondContact OE2-NE2 2.94Å; E120-Q127 VanDerWaalsContact OE2-NE2 3.08Å; G123-Q127 PolarHBondContact O-N 3.34Å; E124-Q127 WeakPolarHBondContact O-CA 3.32Å; E124-Q127 PolarHBondContact O-N 3.02Å; Q127-N130 WeakPolarHBondContact O-CB 3.49Å; Q127-N130 PolarHBondContact O-N 3.4Å; Q127-N131 WeakPolarHBondContact O-CB 3.48Å; Q127-N131 PolarHBondContact O-N 2.88Å; Q127-N131 PolarHBondContact O-ND2 3.44Å; Q127-N131 PolarHBondContact O-OD1 3.27Å
128	E	82.6	Confident	75.8	Confident	125 Å²	125	117.4 Å²	117.4	58%	0.584	55%	0.551	S	S	*	*	H	α-helix	trans	-57.9	-51.3	170.2	-66.2	-175.6	131.8	0	0	112.5	E124 N130 N131 L132	E124-E128 PolarHBondContact O-N 3.06Å; E128-N130 VanDerWaalsContact C-N 3.31Å; E128-N130 PolarHBondContact O-N 3.37Å; E128-N131 PolarHBondContact O-N 3.04Å; E128-L132 WeakPolarHBondContact O-CB 3.43Å; E128-L132 PolarHBondContact O-N 3.32Å
129	L	83.6	Confident	77.7	Confident	102 Å²	102	106.5 Å²	106.5	53%	0.534	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-34.9	177.2	-76.5	176.6	0	0	0	112.7	L125 W133	L125-L129 HydrophobicContact CD2-CD1 3.7Å; L125-L129 HydrophobicContact CD2-CG 4.43Å; L125-L129 HydrophobicContact CG-CD1 4.49Å; L125-L129 WeakPolarHBondContact O-CB 3.41Å; L125-L129 VanDerWaalsContact O-CG 3.26Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.17Å; L129-W133 WeakPolarHBondContact O-CB 3.42Å; L129-W133 PolarHBondContact O-N 2.78Å
130	N	83	Confident	79.7	Confident	69 Å²	69	99.7 Å²	99.7	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-64.1	-46.5	172.3	-76.9	-15.5	0	0	0	110.6	R126 Q127 E128 W133 Q134	R126-N130 VanDerWaalsContact O-CB 3.31Å; R126-N130 WeakPolarHBondContact O-CB 3.33Å; R126-N130 PolarHBondContact O-N 3.07Å; R126-N130 PolarHBondContact O-ND2 3.33Å; R126-N130 PolarHBondContact O-OD1 3.12Å; Q127-N130 WeakPolarHBondContact O-CB 3.49Å; Q127-N130 PolarHBondContact O-N 3.4Å; E128-N130 VanDerWaalsContact C-N 3.31Å; E128-N130 PolarHBondContact O-N 3.37Å; N130-W133 CarbonylContact O-C 3.55Å; N130-W133 WeakPolarHBondContact O-CB 3.48Å; N130-W133 PolarHBondContact O-N 3.09Å; N130-Q134 WeakPolarHBondContact O-CG 3.19Å; N130-Q134 PolarHBondContact O-N 2.85Å
131	N	83.7	Confident	81.5	Confident	100 Å²	100	95.5 Å²	95.5	54%	0.535	46%	0.461	S	S	.	.	H	α-helix	trans	-64	-48.7	-178	-68.9	-12.2	0	0	0	111.1	Q127 E128 W133 Q134 Q135	Q127-N131 WeakPolarHBondContact O-CB 3.48Å; Q127-N131 PolarHBondContact O-N 2.88Å; Q127-N131 PolarHBondContact O-ND2 3.44Å; Q127-N131 PolarHBondContact O-OD1 3.27Å; E128-N131 PolarHBondContact O-N 3.04Å; N131-W133 VanDerWaalsContact C-N 3.29Å; N131-W133 PolarHBondContact O-N 3.15Å; N131-Q134 PolarHBondContact O-N 3.48Å; N131-Q134 VanDerWaalsContact O-N 3.12Å; N131-Q135 WeakPolarHBondContact O-CG 3.33Å; N131-Q135 PolarHBondContact O-N 2.83Å
132	L	84.3	Confident	83.6	Confident	94 Å²	94	88.4 Å²	88.4	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-55.4	-45.2	171.1	-174.2	79.8	0	0	0	111	E128 Q134 Q135 I136	E128-L132 WeakPolarHBondContact O-CB 3.43Å; E128-L132 PolarHBondContact O-N 3.32Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.13Å; L132-Q135 PolarHBondContact O-N 2.97Å; L132-I136 HydrophobicContact CG-CD1 4.4Å; L132-I136 WeakPolarHBondContact O-CD1 3.46Å; L132-I136 WeakPolarHBondContact O-CG1 3.39Å; L132-I136 PolarHBondContact O-N 3.5Å
133	W	84.9	Confident	85.6	Confident	89 Å²	89	78.5 Å²	78.5	34%	0.337	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-36.5	177.8	-174.6	-93.2	0	0	0	112.3	L129 N130 N131 K141 L144 Y145	L129-W133 WeakPolarHBondContact O-CB 3.42Å; L129-W133 PolarHBondContact O-N 2.78Å; N130-W133 CarbonylContact O-C 3.55Å; N130-W133 WeakPolarHBondContact O-CB 3.48Å; N130-W133 PolarHBondContact O-N 3.09Å; N131-W133 VanDerWaalsContact C-N 3.29Å; N131-W133 PolarHBondContact O-N 3.15Å; W133-K141 HydrophobicContact CH2-CG 4.15Å; W133-K141 HydrophobicContact CZ2-CB 4.44Å; W133-K141 HydrophobicContact CZ2-CD 4.33Å; W133-K141 HydrophobicContact CZ2-CG 3.87Å; W133-K141 WeakPolarHBondContact O-CE 3.33Å; W133-K141 PolarHBondContact O-NZ 2.92Å; W133-L144 HydrophobicContact CH2-CD2 4.49Å; W133-L144 HydrophobicContact CZ3-CD2 3.93Å; W133-Y145 HydrophobicContact CH2-CE1 4.2Å; W133-Y145 HydrophobicContact CH2-CE2 4.37Å; W133-Y145 AromaticContact CH2-CZ 3.8Å; W133-Y145 HydrophobicContact CZ2-CE2 4.37Å; W133-Y145 AromaticContact CZ2-CZ 3.88Å; W133-Y145 VanDerWaalsContact CZ2-OH 3.25Å; W133-Y145 WeakPolarHBondContact CZ2-OH 3.15Å
134	Q	85.5	Confident	86.6	Confident	138 Å²	138	79.2 Å²	79.2	65%	0.645	39%	0.386	S	S	*	.	H	α-helix	trans	-70.5	-40.2	176.8	-62.8	-57.7	10.8	0	0	112.5	N130 N131 L132 I136 K141	N130-Q134 WeakPolarHBondContact O-CG 3.19Å; N130-Q134 PolarHBondContact O-N 2.85Å; N131-Q134 PolarHBondContact O-N 3.48Å; N131-Q134 VanDerWaalsContact O-N 3.12Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.13Å; Q134-I136 VanDerWaalsContact C-N 3.26Å; Q134-I136 PolarHBondContact O-N 3.1Å; Q134-K141 PolarHBondContact O-NZ 2.87Å
135	Q	85.6	Confident	87.3	Confident	155 Å²	155	78.2 Å²	78.2	72%	0.724	38%	0.376	S	S	*	.	H	α-helix	trans	-59.7	-28.5	179.4	-72.4	170.1	-7.9	0	0	114.4	N131 L132	N131-Q135 WeakPolarHBondContact O-CG 3.33Å; N131-Q135 PolarHBondContact O-N 2.83Å; L132-Q135 PolarHBondContact O-N 2.97Å
136	I	85.7	Confident	88	Confident	51 Å²	51	73 Å²	73	26%	0.262	35%	0.349	S	S	.	.	S	Bend	trans	-74.6	136.4	-177.6	-64.9	163.6	0	0	0	111.5	L132 Q134 T140 K141	L132-I136 HydrophobicContact CG-CD1 4.4Å; L132-I136 WeakPolarHBondContact O-CD1 3.46Å; L132-I136 WeakPolarHBondContact O-CG1 3.39Å; L132-I136 PolarHBondContact O-N 3.5Å; Q134-I136 VanDerWaalsContact C-N 3.26Å; Q134-I136 PolarHBondContact O-N 3.1Å; I136-T140 HydrophobicContact CG2-CG2 3.54Å; I136-K141 HydrophobicContact CB-CG 4.49Å; I136-K141 HydrophobicContact CG2-CG 4.02Å; I136-K141 WeakPolarHBondContact O-CE 3.4Å; I136-K141 PolarHBondContact O-NZ 2.77Å
137	S	89.7	Confident	88.9	Confident	42 Å²	42	68.1 Å²	68.1	29%	0.294	33%	0.334	S	S	.	.			trans	-63.4	160.5	-179.3	84.9	0	0	0	0	114.2	T140 K141 D212	S137-T140 PolarHBondContact O-N 3.27Å; S137-T140 WeakPolarHBondContact OG-CB 3.46Å; S137-T140 PolarHBondContact OG-N 3.4Å; S137-T140 PolarHBondContact OG-OG1 3.28Å; S137-K141 WeakPolarHBondContact O-CB 3.31Å; S137-K141 WeakPolarHBondContact O-CD 3.46Å; S137-K141 WeakPolarHBondContact O-CG 3.48Å; S137-K141 PolarHBondContact O-N 2.74Å; S137-D212 WeakPolarHBondContact CB-OD2 3.36Å; S137-D212 PolarHBondContact OG-OD2 3.1Å
138	I	90.9	Very high	89.7	Confident	98 Å²	98	69.8 Å²	69.8	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-39.8	-179.2	-63.9	172.5	0	0	0	110.6	T142 V211 D212 L217	I138-T142 WeakPolarHBondContact O-CB 3.44Å; I138-T142 PolarHBondContact O-N 3.05Å; I138-T142 PolarHBondContact O-OG1 3.32Å; I138-V211 HydrophobicContact CG2-CG1 4.24Å; I138-D212 PolarHBondContact N-OD1 2.79Å; I138-L217 HydrophobicContact CG2-CB 4.26Å; I138-L217 HydrophobicContact CG2-CD1 4.01Å; I138-L217 HydrophobicContact CG2-CD2 4.4Å; I138-L217 HydrophobicContact CG2-CG 4.47Å
139	G	91.8	Very high	90.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-45.5	170.8	0	0	0	0	0	112.9	T142 V143 D212	G139-T142 WeakPolarHBondContact O-CB 3.26Å; G139-T142 PolarHBondContact O-N 3.16Å; G139-T142 VanDerWaalsContact O-N 3.13Å; G139-V143 WeakPolarHBondContact O-CG2 3.31Å; G139-V143 PolarHBondContact O-N 3.06Å; G139-D212 WeakPolarHBondContact CA-OD2 3.2Å; G139-D212 PolarHBondContact N-OD1 3.02Å; G139-D212 PolarHBondContact N-OD2 3.15Å
140	T	93.6	Very high	91	Very high	32 Å²	32	63 Å²	63	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-65.8	-41.8	179.1	-53.9	0	0	0	0	111.8	I136 S137 T142 V143 L144 W204	I136-T140 HydrophobicContact CG2-CG2 3.54Å; S137-T140 PolarHBondContact O-N 3.27Å; S137-T140 WeakPolarHBondContact OG-CB 3.46Å; S137-T140 PolarHBondContact OG-N 3.4Å; S137-T140 PolarHBondContact OG-OG1 3.28Å; T140-T142 VanDerWaalsContact C-N 3.3Å; T140-T142 PolarHBondContact O-N 2.59Å; T140-V143 PolarHBondContact O-N 3.33Å; T140-L144 WeakPolarHBondContact O-CB 3.36Å; T140-L144 PolarHBondContact O-N 2.97Å; T140-W204 HydrophobicContact CG2-CH2 3.59Å; T140-W204 HydrophobicContact CG2-CZ2 3.73Å; T140-W204 HydrophobicContact CG2-CZ3 4.37Å
141	K	94	Very high	91.6	Very high	30 Å²	30	62.8 Å²	62.8	13%	0.13	31%	0.314	C	S	.	.	H	α-helix	trans	-55.6	-43.9	169.7	-76.9	157.7	173.2	151.4	0	111.7	W133 Q134 I136 S137 L144 Y145	W133-K141 HydrophobicContact CH2-CG 4.15Å; W133-K141 HydrophobicContact CZ2-CB 4.44Å; W133-K141 HydrophobicContact CZ2-CD 4.33Å; W133-K141 HydrophobicContact CZ2-CG 3.87Å; W133-K141 WeakPolarHBondContact O-CE 3.33Å; W133-K141 PolarHBondContact O-NZ 2.92Å; Q134-K141 PolarHBondContact O-NZ 2.87Å; I136-K141 HydrophobicContact CB-CG 4.49Å; I136-K141 HydrophobicContact CG2-CG 4.02Å; I136-K141 WeakPolarHBondContact O-CE 3.4Å; I136-K141 PolarHBondContact O-NZ 2.77Å; S137-K141 WeakPolarHBondContact O-CB 3.31Å; S137-K141 WeakPolarHBondContact O-CD 3.46Å; S137-K141 WeakPolarHBondContact O-CG 3.48Å; S137-K141 PolarHBondContact O-N 2.74Å; K141-L144 PolarHBondContact O-N 2.9Å; K141-Y145 WeakPolarHBondContact O-CD2 3.48Å; K141-Y145 PolarHBondContact O-N 2.9Å; K141-Y145 VanDerWaalsContact O-N 3.13Å
142	T	94.1	Very high	92.2	Very high	6 Å²	6	61 Å²	61	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-46.9	179.4	-60.6	0	0	0	0	112	I138 G139 T140 L144 Y145 I146 L217 F220 H221	I138-T142 WeakPolarHBondContact O-CB 3.44Å; I138-T142 PolarHBondContact O-N 3.05Å; I138-T142 PolarHBondContact O-OG1 3.32Å; G139-T142 WeakPolarHBondContact O-CB 3.26Å; G139-T142 PolarHBondContact O-N 3.16Å; G139-T142 VanDerWaalsContact O-N 3.13Å; T140-T142 VanDerWaalsContact C-N 3.3Å; T140-T142 PolarHBondContact O-N 2.59Å; T142-L144 PolarHBondContact O-N 2.96Å; T142-Y145 PolarHBondContact O-N 2.82Å; T142-I146 HydrophobicContact CG2-CD1 4.36Å; T142-I146 WeakPolarHBondContact O-CG1 3.5Å; T142-I146 PolarHBondContact O-N 2.94Å; T142-L217 HydrophobicContact CG2-CD1 4.35Å; T142-L217 WeakPolarHBondContact OG1-CD1 3.45Å; T142-F220 HydrophobicContact CG2-CD1 3.78Å; T142-F220 HydrophobicContact CG2-CE1 3.51Å; T142-F220 HydrophobicContact CG2-CZ 4.39Å; T142-H221 VanDerWaalsContact CG2-CE1 3.44Å; T142-H221 WeakPolarHBondContact CG2-CE1 3.38Å
143	V	95.1	Very high	92.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-43.4	175.5	-179.3	0	0	0	0	111	G139 T140 Y145 I146 V147 L203 W204 A207 P208	G139-V143 WeakPolarHBondContact O-CG2 3.31Å; G139-V143 PolarHBondContact O-N 3.06Å; T140-V143 PolarHBondContact O-N 3.33Å; V143-Y145 VanDerWaalsContact C-N 3.29Å; V143-Y145 PolarHBondContact O-N 3.5Å; V143-I146 CarbonylContact O-C 3.51Å; V143-I146 WeakPolarHBondContact O-CA 3.36Å; V143-I146 PolarHBondContact O-N 3.4Å; V143-V147 HydrophobicContact CG1-CG2 3.84Å; V143-V147 WeakPolarHBondContact O-CG2 3.25Å; V143-V147 PolarHBondContact O-N 3.48Å; V143-L203 HydrophobicContact CG1-CD2 4.21Å; V143-L203 HydrophobicContact CG1-CG 4.19Å; V143-W204 HydrophobicContact CB-CE3 4.23Å; V143-W204 HydrophobicContact CG1-CB 4.25Å; V143-W204 HydrophobicContact CG1-CD2 4.34Å; V143-W204 HydrophobicContact CG1-CE3 3.61Å; V143-W204 HydrophobicContact CG1-CZ3 4.33Å; V143-A207 HydrophobicContact CG2-CB 3.5Å; V143-P208 HydrophobicContact CG2-CG 3.97Å
144	L	94	Very high	93.2	Very high	51 Å²	51	53.6 Å²	53.6	27%	0.267	28%	0.281	S	S	.	.	H	α-helix	trans	-56.8	-42	179.3	-177.1	61.7	0	0	0	112	W133 T140 K141 T142 I146 V147 L148 W204	W133-L144 HydrophobicContact CH2-CD2 4.49Å; W133-L144 HydrophobicContact CZ3-CD2 3.93Å; T140-L144 WeakPolarHBondContact O-CB 3.36Å; T140-L144 PolarHBondContact O-N 2.97Å; K141-L144 PolarHBondContact O-N 2.9Å; T142-L144 PolarHBondContact O-N 2.96Å; L144-I146 PolarHBondContact O-N 3.48Å; L144-V147 PolarHBondContact O-N 3.24Å; L144-L148 HydrophobicContact CD1-CD1 4.38Å; L144-L148 HydrophobicContact CD1-CG 4.4Å; L144-L148 HydrophobicContact CG-CD1 4.14Å; L144-L148 WeakPolarHBondContact O-CB 3.33Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.09Å; L144-L148 PolarHBondContact O-N 3.3Å; L144-W204 HydrophobicContact CB-CZ3 4.46Å
145	Y	94.9	Very high	93.6	Very high	139 Å²	139	49.5 Å²	49.5	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-41.3	173.2	-69.6	-52.9	0	0	0	113	W133 K141 T142 V143 L149	W133-Y145 HydrophobicContact CH2-CE1 4.2Å; W133-Y145 HydrophobicContact CH2-CE2 4.37Å; W133-Y145 AromaticContact CH2-CZ 3.8Å; W133-Y145 HydrophobicContact CZ2-CE2 4.37Å; W133-Y145 AromaticContact CZ2-CZ 3.88Å; W133-Y145 VanDerWaalsContact CZ2-OH 3.25Å; W133-Y145 WeakPolarHBondContact CZ2-OH 3.15Å; K141-Y145 WeakPolarHBondContact O-CD2 3.48Å; K141-Y145 PolarHBondContact O-N 2.9Å; K141-Y145 VanDerWaalsContact O-N 3.13Å; T142-Y145 PolarHBondContact O-N 2.82Å; V143-Y145 VanDerWaalsContact C-N 3.29Å; V143-Y145 PolarHBondContact O-N 3.5Å; Y145-L149 WeakPolarHBondContact O-CB 3.27Å; Y145-L149 PolarHBondContact O-N 3.05Å
146	I	96	Very high	94	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.062	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-41	177.3	-63.4	169.2	0	0	0	110.9	T142 V143 L144 L149 N150 F188 L203 F220 Y224	T142-I146 HydrophobicContact CG2-CD1 4.36Å; T142-I146 WeakPolarHBondContact O-CG1 3.5Å; T142-I146 PolarHBondContact O-N 2.94Å; V143-I146 CarbonylContact O-C 3.51Å; V143-I146 WeakPolarHBondContact O-CA 3.36Å; V143-I146 PolarHBondContact O-N 3.4Å; L144-I146 PolarHBondContact O-N 3.48Å; I146-L149 PolarHBondContact O-N 3.25Å; I146-N150 VanDerWaalsContact CG2-ND2 3.27Å; I146-N150 WeakPolarHBondContact CG2-ND2 3.35Å; I146-N150 WeakPolarHBondContact O-CB 3.34Å; I146-N150 PolarHBondContact O-N 2.75Å; I146-N150 PolarHBondContact O-ND2 2.95Å; I146-F188 HydrophobicContact CG2-CE1 4.35Å; I146-L203 HydrophobicContact CB-CD2 4.09Å; I146-L203 HydrophobicContact CD1-CD2 4.46Å; I146-L203 HydrophobicContact CG2-CD2 3.52Å; I146-F220 HydrophobicContact CD1-CE1 3.88Å; I146-F220 HydrophobicContact CD1-CZ 4.2Å; I146-Y224 HydrophobicContact CD1-CD1 4.45Å; I146-Y224 HydrophobicContact CD1-CE1 4.33Å; I146-Y224 HydrophobicContact CG2-CE1 4.44Å
147	V	96.2	Very high	94.3	Very high	31 Å²	31	41 Å²	41	19%	0.188	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-46.2	176.6	172.7	0	0	0	0	111	V143 L144 L149 N150 T151 M200	V143-V147 HydrophobicContact CG1-CG2 3.84Å; V143-V147 WeakPolarHBondContact O-CG2 3.25Å; V143-V147 PolarHBondContact O-N 3.48Å; L144-V147 PolarHBondContact O-N 3.24Å; V147-L149 PolarHBondContact O-N 3.08Å; V147-N150 PolarHBondContact O-N 2.71Å; V147-T151 VanDerWaalsContact O-CB 3.25Å; V147-T151 WeakPolarHBondContact O-CB 3.1Å; V147-T151 PolarHBondContact O-N 3.45Å; V147-T151 PolarHBondContact O-OG1 3.4Å; V147-M200 HydrophobicContact CB-SD 4.27Å; V147-M200 HydrophobicContact CG2-CB 4.13Å; V147-M200 HydrophobicContact CG2-CG 4.21Å; V147-M200 HydrophobicContact CG2-SD 3.77Å
148	L	95.8	Very high	94.4	Very high	101 Å²	101	45.5 Å²	45.5	53%	0.529	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-43.3	176.7	-71.9	169.2	0	0	0	111.8	L144 T151 A152	L144-L148 HydrophobicContact CD1-CD1 4.38Å; L144-L148 HydrophobicContact CD1-CG 4.4Å; L144-L148 HydrophobicContact CG-CD1 4.14Å; L144-L148 WeakPolarHBondContact O-CB 3.33Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.09Å; L144-L148 PolarHBondContact O-N 3.3Å; L148-T151 PolarHBondContact O-N 3.15Å; L148-A152 WeakPolarHBondContact O-CB 3.34Å; L148-A152 PolarHBondContact O-N 2.79Å
149	L	95.9	Very high	94.4	Very high	84 Å²	84	44.9 Å²	44.9	44%	0.44	24%	0.239	S	C	.	.	H	α-helix	trans	-63	-49.8	177.5	179.1	58.3	0	0	0	112.2	Y145 I146 V147 T151 A152 I153 F188	Y145-L149 WeakPolarHBondContact O-CB 3.27Å; Y145-L149 PolarHBondContact O-N 3.05Å; I146-L149 PolarHBondContact O-N 3.25Å; V147-L149 PolarHBondContact O-N 3.08Å; L149-T151 VanDerWaalsContact C-N 3.29Å; L149-T151 PolarHBondContact O-N 2.94Å; L149-A152 PolarHBondContact O-N 3.18Å; L149-I153 HydrophobicContact CD1-CD1 3.81Å; L149-I153 HydrophobicContact CD1-CG1 4.45Å; L149-I153 HydrophobicContact CG-CD1 3.96Å; L149-I153 WeakPolarHBondContact O-CD1 3.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.22Å; L149-I153 PolarHBondContact O-N 2.04Å; L149-F188 HydrophobicContact CD2-CD1 3.65Å; L149-F188 HydrophobicContact CD2-CE1 3.79Å; L149-F188 HydrophobicContact CD2-CG 4.31Å; L149-F188 HydrophobicContact CG-CD1 4.12Å
150	N	96.9	Very high	94.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-37.2	176.7	-79.3	-88.1	0	0	0	111.8	I146 V147 I153 C154 F188 H190 L196 M200	I146-N150 VanDerWaalsContact CG2-ND2 3.27Å; I146-N150 WeakPolarHBondContact CG2-ND2 3.35Å; I146-N150 WeakPolarHBondContact O-CB 3.34Å; I146-N150 PolarHBondContact O-N 2.75Å; I146-N150 PolarHBondContact O-ND2 2.95Å; V147-N150 PolarHBondContact O-N 2.71Å; N150-I153 PolarHBondContact O-N 3.03Å; N150-C154 VanDerWaalsContact O-CB 3.32Å; N150-C154 WeakPolarHBondContact O-CB 3.45Å; N150-C154 PolarHBondContact O-N 2.89Å; N150-F188 VanDerWaalsContact OD1-C 3.28Å; N150-F188 WeakPolarHBondContact OD1-CA 3.49Å; N150-F188 PolarHBondContact OD1-O 3.22Å; N150-H190 PolarHBondContact OD1-CE1 2.9Å; N150-H190 PolarHBondContact OD1-ND1 2.93Å; N150-L196 HydrophobicContact CB-CD1 3.59Å; N150-M200 HydrophobicContact CB-CE 4.26Å; N150-M200 HydrophobicContact CB-SD 3.88Å
151	T	95.9	Very high	94.3	Very high	66 Å²	66	52 Å²	52	41%	0.405	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-43.4	176.5	-58.7	0	0	0	0	111.5	V147 L148 L149 I153 C154 A155	V147-T151 VanDerWaalsContact O-CB 3.25Å; V147-T151 WeakPolarHBondContact O-CB 3.1Å; V147-T151 PolarHBondContact O-N 3.45Å; V147-T151 PolarHBondContact O-OG1 3.4Å; L148-T151 PolarHBondContact O-N 3.15Å; L149-T151 VanDerWaalsContact C-N 3.29Å; L149-T151 PolarHBondContact O-N 2.94Å; T151-I153 VanDerWaalsContact C-N 3.33Å; T151-I153 PolarHBondContact O-N 3.15Å; T151-C154 PolarHBondContact O-N 2.95Å; T151-A155 WeakPolarHBondContact O-CB 3.07Å; T151-A155 PolarHBondContact O-N 3.39Å
152	A	95.6	Very high	94.2	Very high	61 Å²	61	54 Å²	54	50%	0.504	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-37.9	175.4	0	0	0	0	0	112.5	L148 L149 A155 A156	L148-A152 WeakPolarHBondContact O-CB 3.34Å; L148-A152 PolarHBondContact O-N 2.79Å; L149-A152 PolarHBondContact O-N 3.18Å; A152-A155 PolarHBondContact O-N 2.9Å; A152-A156 PolarHBondContact O-N 2.82Å
153	I	95.6	Very high	93.9	Very high	19 Å²	19	57.1 Å²	57.1	10%	0.097	32%	0.319	C	S	.	.	H	α-helix	trans	-72.7	-38.5	177.2	-64.8	161.9	0	0	0	111.1	L149 N150 T151 A155 A156 W157 M166 F170 F188	L149-I153 HydrophobicContact CD1-CD1 3.81Å; L149-I153 HydrophobicContact CD1-CG1 4.45Å; L149-I153 HydrophobicContact CG-CD1 3.96Å; L149-I153 WeakPolarHBondContact O-CD1 3.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.22Å; L149-I153 PolarHBondContact O-N 2.04Å; N150-I153 PolarHBondContact O-N 3.03Å; T151-I153 VanDerWaalsContact C-N 3.33Å; T151-I153 PolarHBondContact O-N 3.15Å; I153-A155 VanDerWaalsContact C-N 3.31Å; I153-A155 PolarHBondContact O-N 2.87Å; I153-A156 WeakPolarHBondContact O-CB 3.21Å; I153-A156 PolarHBondContact O-N 3.13Å; I153-W157 PolarHBondContact O-N 2.84Å; I153-M166 HydrophobicContact CG2-CE 3.73Å; I153-M166 WeakPolarHBondContact O-CE 3.4Å; I153-F170 HydrophobicContact CD1-CE1 3.89Å; I153-F170 HydrophobicContact CG1-CE1 4.02Å; I153-F170 HydrophobicContact CG2-CD1 3.6Å; I153-F170 HydrophobicContact CG2-CE1 3.78Å; I153-F170 HydrophobicContact CG2-CG 4.46Å; I153-F188 WeakPolarHBondContact CB-O 3.4Å; I153-F188 HydrophobicContact CD1-CB 3.56Å; I153-F188 WeakPolarHBondContact CD1-O 3.49Å; I153-F188 VanDerWaalsContact CG2-O 3.26Å; I153-F188 WeakPolarHBondContact CG2-O 3.42Å
154	C	94.5	Very high	93.6	Very high	10 Å²	10	59.7 Å²	59.7	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-34	170.6	-175.9	0	0	0	0	112.6	N150 T151 H190 L196	N150-C154 VanDerWaalsContact O-CB 3.32Å; N150-C154 WeakPolarHBondContact O-CB 3.45Å; N150-C154 PolarHBondContact O-N 2.89Å; T151-C154 PolarHBondContact O-N 2.95Å; C154-H190 PolarHBondContact SG-O 2.95Å; C154-L196 HydrophobicContact CB-CD2 3.85Å
155	A	94	Very high	93.4	Very high	51 Å²	51	60 Å²	60	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-70.6	-39.7	171.6	0	0	0	0	0	112	T151 A152 I153 W157 R158	T151-A155 WeakPolarHBondContact O-CB 3.07Å; T151-A155 PolarHBondContact O-N 3.39Å; A152-A155 PolarHBondContact O-N 2.9Å; I153-A155 VanDerWaalsContact C-N 3.31Å; I153-A155 PolarHBondContact O-N 2.87Å; A155-W157 VanDerWaalsContact C-N 3.25Å; A155-W157 PolarHBondContact O-N 3.41Å; A155-R158 VanDerWaalsContact O-CB 3.27Å; A155-R158 WeakPolarHBondContact O-CB 3.3Å; A155-R158 PolarHBondContact O-N 2.95Å
156	A	93.8	Very high	93.3	Very high	17 Å²	17	53.8 Å²	53.8	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-32.8	176.3	0	0	0	0	0	112.9	A152 I153 R158 I159 L162 M166	A152-A156 PolarHBondContact O-N 2.82Å; I153-A156 WeakPolarHBondContact O-CB 3.21Å; I153-A156 PolarHBondContact O-N 3.13Å; A156-R158 PolarHBondContact O-N 2.93Å; A156-I159 PolarHBondContact O-N 2.83Å; A156-I159 VanDerWaalsContact O-N 3.11Å; A156-L162 HydrophobicContact CB-CD1 3.87Å; A156-M166 HydrophobicContact CB-CE 3.81Å; A156-M166 HydrophobicContact CB-SD 3.83Å
157	W	91.8	Very high	92.9	Very high	11 Å²	11	55 Å²	55	4%	0.042	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.2	170.5	-83.1	114.1	0	0	0	114.2	I153 A155 Q163 M166 K167 F170 M171 S189 I191	I153-W157 PolarHBondContact O-N 2.84Å; A155-W157 VanDerWaalsContact C-N 3.25Å; A155-W157 PolarHBondContact O-N 3.41Å; W157-Q163 PolarHBondContact O-NE2 3.27Å; W157-M166 HydrophobicContact CD2-CB 3.82Å; W157-M166 HydrophobicContact CD2-CE 3.97Å; W157-M166 HydrophobicContact CD2-CG 4.24Å; W157-M166 HydrophobicContact CE3-CB 3.62Å; W157-M166 HydrophobicContact CE3-CG 4.24Å; W157-M166 HydrophobicContact CG-CE 3.82Å; W157-M166 VanDerWaalsContact CH2-C 3.42Å; W157-M166 HydrophobicContact CH2-CB 3.42Å; W157-M166 VanDerWaalsContact CH2-CB 3.42Å; W157-M166 HydrophobicContact CZ2-CB 3.65Å; W157-M166 HydrophobicContact CZ2-CE 4.5Å; W157-M166 HydrophobicContact CZ3-CB 3.42Å; W157-M166 VanDerWaalsContact CZ3-CB 3.42Å; W157-M166 HydrophobicContact CZ3-CG 4.48Å; W157-K167 HydrophobicContact CH2-CG 4.3Å; W157-K167 HydrophobicContact CZ3-CG 4.22Å; W157-F170 HydrophobicContact CZ2-CB 4.19Å; W157-M171 HydrophobicContact CH2-CG 3.64Å; W157-M171 HydrophobicContact CH2-SD 3.47Å; W157-M171 WeakPolarHBondContact CH2-SD 3.47Å; W157-M171 HydrophobicContact CZ2-CG 3.74Å; W157-M171 HydrophobicContact CZ2-SD 4.16Å; W157-M171 HydrophobicContact CZ3-SD 4.34Å; W157-S189 PolarHBondContact NE1-OG 2.88Å; W157-I191 HydrophobicContact CD2-CG1 4.17Å; W157-I191 HydrophobicContact CZ2-CD1 4.43Å; W157-I191 HydrophobicContact CZ2-CG1 4.16Å
158	R	91.3	Very high	92.6	Very high	136 Å²	136	58.9 Å²	58.9	51%	0.513	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-16	177	-51.3	-64.5	161.5	-145.1	-19.6	113.4	A155 A156 P160 I191	A155-R158 VanDerWaalsContact O-CB 3.27Å; A155-R158 WeakPolarHBondContact O-CB 3.3Å; A155-R158 PolarHBondContact O-N 2.95Å; A156-R158 PolarHBondContact O-N 2.93Å; R158-P160 WeakPolarHBondContact O-CD 3.5Å; R158-I191 PolarHBondContact NH2-O 3.16Å
159	I	91.3	Very high	92.5	Very high	86 Å²	86	57.8 Å²	57.8	44%	0.441	33%	0.333	S	S	.	.			trans	-92.6	109.1	-175.4	-58.2	176.3	0	0	0	108.8	A156 A161 L162 Q163	A156-I159 PolarHBondContact O-N 2.83Å; A156-I159 VanDerWaalsContact O-N 3.11Å; I159-A161 HydrophobicContact CG2-CB 4.31Å; I159-A161 PolarHBondContact O-N 3.3Å; I159-A161 VanDerWaalsContact O-N 3.14Å; I159-L162 HydrophobicContact CB-CB 4.38Å; I159-L162 HydrophobicContact CB-CD1 4.07Å; I159-L162 HydrophobicContact CB-CG 4.1Å; I159-L162 HydrophobicContact CD1-CD1 3.96Å; I159-L162 HydrophobicContact CG2-CD1 4.24Å; I159-L162 HydrophobicContact CG2-CG 3.93Å; I159-L162 PolarHBondContact O-N 3.41Å; I159-Q163 PolarHBondContact O-N 2.91Å
160	P	90.4	Very high	92.4	Very high	99 Å²	99	55.7 Å²	55.7	64%	0.643	32%	0.321	S	S	*	.	H	α-helix	trans	-59.1	-34.5	-173.2	-25.8	36.1	0	0	0	113.3	R158 L162 Q163	R158-P160 WeakPolarHBondContact O-CD 3.5Å; P160-L162 PolarHBondContact O-N 3.45Å; P160-Q163 PolarHBondContact O-N 2.9Å
161	A	93	Very high	92.2	Very high	82 Å²	82	55.9 Å²	55.9	68%	0.678	32%	0.322	S	S	*	.	H	α-helix	trans	-64.2	-17.7	176.9	0	0	0	0	0	114.5	I159	I159-A161 HydrophobicContact CG2-CB 4.31Å; I159-A161 PolarHBondContact O-N 3.3Å; I159-A161 VanDerWaalsContact O-N 3.14Å
162	L	91.6	Very high	92	Very high	71 Å²	71	52.8 Å²	52.8	37%	0.372	30%	0.303	S	S	.	.	H	α-helix	trans	-98.1	-21.2	176.1	-61.1	-177.2	0	0	0	112.9	A156 I159 P160 G164 S165 M166	A156-L162 HydrophobicContact CB-CD1 3.87Å; I159-L162 HydrophobicContact CB-CB 4.38Å; I159-L162 HydrophobicContact CB-CD1 4.07Å; I159-L162 HydrophobicContact CB-CG 4.1Å; I159-L162 HydrophobicContact CD1-CD1 3.96Å; I159-L162 HydrophobicContact CG2-CD1 4.24Å; I159-L162 HydrophobicContact CG2-CG 3.93Å; I159-L162 PolarHBondContact O-N 3.41Å; P160-L162 PolarHBondContact O-N 3.45Å; L162-G164 VanDerWaalsContact C-N 3.26Å; L162-G164 PolarHBondContact O-N 2.94Å; L162-G164 VanDerWaalsContact O-N 3.08Å; L162-S165 WeakPolarHBondContact O-CA 3.39Å; L162-S165 WeakPolarHBondContact O-CB 3.23Å; L162-S165 PolarHBondContact O-N 2.88Å; L162-M166 HydrophobicContact CB-CG 4.25Å; L162-M166 WeakPolarHBondContact O-CG 3.45Å; L162-M166 PolarHBondContact O-N 2.92Å
163	Q	88.6	Confident	91.7	Very high	72 Å²	72	50 Å²	50	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-55.4	-34.6	-168.9	-75.2	176.6	-13.9	0	0	114.3	W157 I159 P160 S165 M166 K167	W157-Q163 PolarHBondContact O-NE2 3.27Å; I159-Q163 PolarHBondContact O-N 2.91Å; P160-Q163 PolarHBondContact O-N 2.9Å; Q163-S165 PolarHBondContact O-N 3.12Å; Q163-M166 PolarHBondContact O-N 2.96Å; Q163-K167 WeakPolarHBondContact O-CB 3.28Å; Q163-K167 WeakPolarHBondContact O-CG 3.45Å; Q163-K167 PolarHBondContact O-N 3.07Å
164	G	88.6	Confident	91.3	Very high	54 Å²	54	49.3 Å²	49.3	56%	0.557	28%	0.276	S	S	*	.	H	α-helix	trans	-63.3	-38	173.1	0	0	0	0	0	113.6	L162 R168	L162-G164 VanDerWaalsContact C-N 3.26Å; L162-G164 PolarHBondContact O-N 2.94Å; L162-G164 VanDerWaalsContact O-N 3.08Å; G164-R168 WeakPolarHBondContact O-CB 3.14Å; G164-R168 PolarHBondContact O-N 3.04Å; G164-R168 VanDerWaalsContact O-N 3.09Å
165	S	91	Very high	90.9	Very high	59 Å²	59	49.9 Å²	49.9	41%	0.413	28%	0.278	S	S	.	.	H	α-helix	trans	-71.8	-38.6	173.3	-167.3	0	0	0	0	111.5	L162 Q163 R168 Y169	L162-S165 WeakPolarHBondContact O-CA 3.39Å; L162-S165 WeakPolarHBondContact O-CB 3.23Å; L162-S165 PolarHBondContact O-N 2.88Å; Q163-S165 PolarHBondContact O-N 3.12Å; S165-R168 PolarHBondContact O-N 3.44Å; S165-Y169 PolarHBondContact O-N 3Å
166	M	90.8	Very high	90.4	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-45.5	176.1	-55.6	-60.1	-71.8	0	0	111.2	I153 A156 W157 L162 Q163 R168 F170	I153-M166 HydrophobicContact CG2-CE 3.73Å; I153-M166 WeakPolarHBondContact O-CE 3.4Å; A156-M166 HydrophobicContact CB-CE 3.81Å; A156-M166 HydrophobicContact CB-SD 3.83Å; W157-M166 HydrophobicContact CD2-CB 3.82Å; W157-M166 HydrophobicContact CD2-CE 3.97Å; W157-M166 HydrophobicContact CD2-CG 4.24Å; W157-M166 HydrophobicContact CE3-CB 3.62Å; W157-M166 HydrophobicContact CE3-CG 4.24Å; W157-M166 HydrophobicContact CG-CE 3.82Å; W157-M166 VanDerWaalsContact CH2-C 3.42Å; W157-M166 HydrophobicContact CH2-CB 3.42Å; W157-M166 VanDerWaalsContact CH2-CB 3.42Å; W157-M166 HydrophobicContact CZ2-CB 3.65Å; W157-M166 HydrophobicContact CZ2-CE 4.5Å; W157-M166 HydrophobicContact CZ3-CB 3.42Å; W157-M166 VanDerWaalsContact CZ3-CB 3.42Å; W157-M166 HydrophobicContact CZ3-CG 4.48Å; L162-M166 HydrophobicContact CB-CG 4.25Å; L162-M166 WeakPolarHBondContact O-CG 3.45Å; L162-M166 PolarHBondContact O-N 2.92Å; Q163-M166 PolarHBondContact O-N 2.96Å; M166-R168 PolarHBondContact O-N 2.74Å; M166-F170 HydrophobicContact CE-CB 4.33Å; M166-F170 HydrophobicContact CE-CD1 4.44Å; M166-F170 HydrophobicContact CE-CD2 4.29Å; M166-F170 HydrophobicContact CE-CG 4.12Å; M166-F170 CarbonylContact O-C 3.55Å; M166-F170 WeakPolarHBondContact O-CA 3.29Å; M166-F170 WeakPolarHBondContact O-CB 3.49Å; M166-F170 PolarHBondContact O-N 2.95Å; M166-F170 HydrophobicContact SD-CD2 3.92Å; M166-F170 HydrophobicContact SD-CE2 4.19Å; M166-F170 HydrophobicContact SD-CG 4.36Å
167	K	88.7	Confident	90	Very high	38 Å²	38	50.5 Å²	50.5	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-41.8	172.9	-74.1	-173.7	-179.5	-169.3	0	112.6	E61 F62 W157 Q163 M171	E61-K167 IonicContact OE2-NZ 3.6Å; E61-K167 PolarHBondContact OE2-NZ 2.76Å; F62-K167 HydrophobicContact CD2-CB 4.24Å; F62-K167 HydrophobicContact CD2-CD 4.2Å; F62-K167 HydrophobicContact CD2-CG 4.15Å; F62-K167 HydrophobicContact CE2-CB 3.85Å; F62-K167 HydrophobicContact CE2-CG 4.21Å; F62-K167 WeakPolarHBondContact CE2-O 3.45Å; W157-K167 HydrophobicContact CH2-CG 4.3Å; W157-K167 HydrophobicContact CZ3-CG 4.22Å; Q163-K167 WeakPolarHBondContact O-CB 3.28Å; Q163-K167 WeakPolarHBondContact O-CG 3.45Å; Q163-K167 PolarHBondContact O-N 3.07Å; K167-M171 HydrophobicContact CB-SD 4.41Å; K167-M171 HydrophobicContact CG-SD 4.03Å
168	R	89.7	Confident	89.9	Confident	112 Å²	112	53.4 Å²	53.4	42%	0.423	28%	0.284	S	S	.	.	H	α-helix	trans	-70.9	-36.6	-178.2	177.4	178.2	-78	168.1	-8.4	114.1	G164 S165 M166 E177 K178	G164-R168 WeakPolarHBondContact O-CB 3.14Å; G164-R168 PolarHBondContact O-N 3.04Å; G164-R168 VanDerWaalsContact O-N 3.09Å; S165-R168 PolarHBondContact O-N 3.44Å; M166-R168 PolarHBondContact O-N 2.74Å; R168-E177 IonicContact CZ-OE1 3.17Å; R168-E177 IonicContact CZ-OE2 3.07Å; R168-E177 IonicContact NE-OE1 3.5Å; R168-E177 PolarHBondContact NE-OE1 2.65Å; R168-E177 VanDerWaalsContact NE-OE1 3.09Å; R168-E177 IonicContact NE-OE2 3.63Å; R168-E177 PolarHBondContact NE-OE2 3.21Å; R168-E177 IonicContact NH2-OE1 3.65Å; R168-E177 PolarHBondContact NH2-OE1 2.87Å; R168-E177 IonicContact NH2-OE2 2.81Å; R168-E177 PolarHBondContact NH2-OE2 3.24Å; R168-K178 HydrophobicContact CG-CG 4.06Å
169	Y	93.3	Very high	89.8	Confident	78 Å²	78	47.5 Å²	47.5	31%	0.306	26%	0.262	S	S	.	.	H	α-helix	trans	-118.9	-24.6	-169	-66.2	-67.6	0	0	0	115.1	S165 K178 P182 F185	S165-Y169 PolarHBondContact O-N 3Å; Y169-K178 HydrophobicContact CD1-CG 4.16Å; Y169-K178 HydrophobicContact CE1-CG 3.83Å; Y169-P182 VanDerWaalsContact O-CA 3.29Å; Y169-P182 WeakPolarHBondContact O-CA 3.46Å; Y169-F185 VanDerWaalsContact O-CB 3.3Å; Y169-F185 WeakPolarHBondContact O-CB 3.38Å
170	F	94.3	Very high	89.9	Confident	39 Å²	39	45 Å²	45	17%	0.171	25%	0.252	C	S	.	.	S	Bend	trans	-111.4	16.3	-173.5	-68.1	-100.1	0	0	0	113.4	I153 W157 M166 F185 S189 V249	I153-F170 HydrophobicContact CD1-CE1 3.89Å; I153-F170 HydrophobicContact CG1-CE1 4.02Å; I153-F170 HydrophobicContact CG2-CD1 3.6Å; I153-F170 HydrophobicContact CG2-CE1 3.78Å; I153-F170 HydrophobicContact CG2-CG 4.46Å; W157-F170 HydrophobicContact CZ2-CB 4.19Å; M166-F170 HydrophobicContact CE-CB 4.33Å; M166-F170 HydrophobicContact CE-CD1 4.44Å; M166-F170 HydrophobicContact CE-CD2 4.29Å; M166-F170 HydrophobicContact CE-CG 4.12Å; M166-F170 CarbonylContact O-C 3.55Å; M166-F170 WeakPolarHBondContact O-CA 3.29Å; M166-F170 WeakPolarHBondContact O-CB 3.49Å; M166-F170 PolarHBondContact O-N 2.95Å; M166-F170 HydrophobicContact SD-CD2 3.92Å; M166-F170 HydrophobicContact SD-CE2 4.19Å; M166-F170 HydrophobicContact SD-CG 4.36Å; F170-F185 HydrophobicContact CD1-CB 3.81Å; F170-F185 WeakPolarHBondContact CD1-O 3.33Å; F170-F185 HydrophobicContact CE1-CB 3.98Å; F170-F185 HydrophobicContact CE1-CG 4.41Å; F170-F185 HydrophobicContact CG-CB 4.19Å; F170-F185 HydrophobicContact CZ-CB 4.5Å; F170-S189 VanDerWaalsContact O-CB 3.27Å; F170-S189 WeakPolarHBondContact O-CB 3.48Å; F170-S189 PolarHBondContact O-OG 2.87Å; F170-V249 VanDerWaalsContact O-CG1 3.3Å; F170-V249 WeakPolarHBondContact O-CG1 3.24Å
171	M	92.2	Very high	90	Very high	4 Å²	4	42 Å²	42	2%	0.02	23%	0.234	C	C	.	.	S	Bend	trans	-128.7	119.9	173.1	-69.1	-179.3	68.4	0	0	109.9	F59 F62 W157 K167 P182 A247 V249	F59-M171 HydrophobicContact CD1-CE 4.19Å; F59-M171 HydrophobicContact CE1-CE 4.09Å; F62-M171 HydrophobicContact CD2-CE 3.59Å; F62-M171 HydrophobicContact CD2-SD 3.73Å; F62-M171 HydrophobicContact CE2-CB 4.01Å; F62-M171 HydrophobicContact CE2-CE 3.73Å; F62-M171 HydrophobicContact CE2-CG 4.37Å; F62-M171 HydrophobicContact CE2-SD 3.52Å; F62-M171 VanDerWaalsContact CE2-SD 3.52Å; F62-M171 HydrophobicContact CG-CE 4.21Å; F62-M171 HydrophobicContact CZ-CB 4.16Å; F62-M171 HydrophobicContact CZ-CE 4.45Å; W157-M171 HydrophobicContact CH2-CG 3.64Å; W157-M171 HydrophobicContact CH2-SD 3.47Å; W157-M171 WeakPolarHBondContact CH2-SD 3.47Å; W157-M171 HydrophobicContact CZ2-CG 3.74Å; W157-M171 HydrophobicContact CZ2-SD 4.16Å; W157-M171 HydrophobicContact CZ3-SD 4.34Å; K167-M171 HydrophobicContact CB-SD 4.41Å; K167-M171 HydrophobicContact CG-SD 4.03Å; M171-P182 VanDerWaalsContact O-CB 3.32Å; M171-P182 WeakPolarHBondContact O-CB 3.28Å; M171-A247 HydrophobicContact CB-CB 4.18Å; M171-A247 HydrophobicContact CE-CB 3.54Å; M171-V249 HydrophobicContact CB-CG1 4.36Å; M171-V249 HydrophobicContact CG-CG1 3.8Å
172	S	91.7	Very high	90	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-87	110.9	178.5	-173.1	0	0	0	0	110.3	A247 S248	S172-A247 CarbonylContact O-C 3.54Å; S172-A247 WeakPolarHBondContact O-CA 3.36Å; S172-S248 PolarHBondContact N-O 3.16Å; S172-S248 PolarHBondContact O-N 2.87Å
173	S	89.2	Confident	90.2	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	18%	0.184	C	C	.	.			trans	-141.3	138	175.2	178	0	0	0	0	110.4	N175 G176 P245	S173-N175 PolarHBondContact O-N 2.95Å; S173-N175 PolarHBondContact OG-N 3.16Å; S173-G176 PolarHBondContact O-N 2.74Å; S173-P245 PolarHBondContact OG-O 3.08Å
174	F	88.5	Confident	90.6	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.026	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.8	179.3	-176.8	-109.6	0	0	0	112.5	R69 L74 L179 L236 A240	R69-F174 HydrophobicContact CB-CD1 4.39Å; R69-F174 HydrophobicContact CB-CE1 3.7Å; R69-F174 HydrophobicContact CB-CE2 4.45Å; R69-F174 HydrophobicContact CB-CZ 3.72Å; R69-F174 PolarHBondContact NH1-O 3.23Å; R69-F174 WeakPolarHBondContact O-CE1 3.47Å; L74-F174 HydrophobicContact CD2-CD2 4.13Å; L74-F174 HydrophobicContact CD2-CE2 3.9Å; L74-F174 HydrophobicContact CG-CE2 4.08Å; F174-L179 HydrophobicContact CD2-CD1 4.19Å; F174-L236 HydrophobicContact CB-CD2 4.21Å; F174-A240 HydrophobicContact CD1-CB 3.85Å; F174-A240 HydrophobicContact CD2-CB 3.68Å; F174-A240 HydrophobicContact CE1-CB 3.87Å; F174-A240 HydrophobicContact CE2-CB 3.72Å; F174-A240 HydrophobicContact CG-CB 3.75Å; F174-A240 HydrophobicContact CZ-CB 3.82Å
175	N	85.6	Confident	90.9	Very high	22 Å²	22	34 Å²	34	12%	0.118	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	2.1	178.1	-60.7	65.8	0	0	0	113.2	Q66 I67 S173	Q66-N175 HydrophobicContact CB-CB 3.99Å; Q66-N175 HydrophobicContact CG-CB 4.2Å; I67-N175 PolarHBondContact N-O 2.99Å; I67-N175 WeakPolarHBondContact O-CA 3.5Å; I67-N175 WeakPolarHBondContact O-CB 3.37Å; I67-N175 PolarHBondContact O-ND2 3.48Å; I67-N175 VanDerWaalsContact O-ND2 3.12Å; S173-N175 PolarHBondContact O-N 2.95Å; S173-N175 PolarHBondContact OG-N 3.16Å
176	G	84.1	Confident	91.1	Very high	6 Å²	6	31.4 Å²	31.4	6%	0.062	15%	0.147	C	C	.	.	S	Bend	trans	-71.1	153.8	179.7	0	0	0	0	0	113	R69 S173 K178	R69-G176 VanDerWaalsContact CZ-O 3.25Å; R69-G176 PolarHBondContact NH1-O 3.09Å; R69-G176 PolarHBondContact NH2-O 3.08Å; S173-G176 PolarHBondContact O-N 2.74Å; G176-K178 VanDerWaalsContact C-N 3.25Å; G176-K178 PolarHBondContact O-N 3.32Å; G176-K178 VanDerWaalsContact O-N 3.15Å
177	E	84.4	Confident	91.4	Very high	74 Å²	74	31.2 Å²	31.2	35%	0.346	15%	0.147	S	C	.	.	S	Bend	trans	-54.3	-40.4	-174.8	-167.3	-161.3	120.9	0	0	113.1	R69 R168	R69-E177 PolarHBondContact NH2-O 3.3Å; R168-E177 IonicContact CZ-OE1 3.17Å; R168-E177 IonicContact CZ-OE2 3.07Å; R168-E177 IonicContact NE-OE1 3.5Å; R168-E177 PolarHBondContact NE-OE1 2.65Å; R168-E177 VanDerWaalsContact NE-OE1 3.09Å; R168-E177 IonicContact NE-OE2 3.63Å; R168-E177 PolarHBondContact NE-OE2 3.21Å; R168-E177 IonicContact NH2-OE1 3.65Å; R168-E177 PolarHBondContact NH2-OE1 2.87Å; R168-E177 IonicContact NH2-OE2 2.81Å; R168-E177 PolarHBondContact NH2-OE2 3.24Å
178	K	89.4	Confident	91.7	Very high	73 Å²	73	30.5 Å²	30.5	32%	0.317	14%	0.143	S	C	.	.			trans	-107.4	142.5	172	-51	-49.9	-175.1	-150.6	0	109.4	R168 Y169 G176 P182	R168-K178 HydrophobicContact CG-CG 4.06Å; Y169-K178 HydrophobicContact CD1-CG 4.16Å; Y169-K178 HydrophobicContact CE1-CG 3.83Å; G176-K178 VanDerWaalsContact C-N 3.25Å; G176-K178 PolarHBondContact O-N 3.32Å; G176-K178 VanDerWaalsContact O-N 3.15Å; K178-P182 HydrophobicContact CB-CG 4.01Å
179	L	89.6	Confident	92	Very high	11 Å²	11	25.1 Å²	25.1	6%	0.058	12%	0.123	C	C	.	.	S	Bend	trans	-105.1	-49.5	-178.1	-173.2	56	0	0	0	112.4	K76 P77 F174 L236	K76-L179 HydrophobicContact CB-CD2 4.35Å; P77-L179 HydrophobicContact CG-CD2 4.25Å; P77-L179 HydrophobicContact CG-CG 4.29Å; F174-L179 HydrophobicContact CD2-CD1 4.19Å; L179-L236 HydrophobicContact CD1-CD1 4.12Å; L179-L236 HydrophobicContact CD1-CD2 4.23Å
180	C	93.3	Very high	92.1	Very high	34 Å²	34	21.4 Å²	21.4	23%	0.23	11%	0.109	C	C	.	.	S	Bend	trans	-82.6	-52.5	-173.3	-55.9	0	0	0	0	113.4	F80 P182 M183	F80-C180 HydrophobicContact CB-CB 3.93Å; F80-C180 HydrophobicContact CD1-CB 4.11Å; F80-C180 HydrophobicContact CD2-CB 3.82Å; F80-C180 WeakPolarHBondContact CE1-O 3.49Å; F80-C180 HydrophobicContact CE2-CB 4.37Å; F80-C180 HydrophobicContact CG-CB 3.67Å; C180-P182 VanDerWaalsContact C-CD 3.42Å; C180-P182 VanDerWaalsContact C-N 3.33Å; C180-M183 VanDerWaalsContact O-CB 3.26Å; C180-M183 WeakPolarHBondContact O-CB 3.42Å; C180-M183 WeakPolarHBondContact O-CG 3.5Å; C180-M183 PolarHBondContact O-N 2.84Å
181	S	92.2	Very high	91.9	Very high	36 Å²	36	20.8 Å²	20.8	25%	0.252	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.9	-175.8	61.3	0	0	0	0	114.8	M183 L184 F185	S181-M183 PolarHBondContact O-N 2.97Å; S181-L184 PolarHBondContact O-N 2.96Å; S181-F185 VanDerWaalsContact O-CD2 3.32Å; S181-F185 WeakPolarHBondContact O-CD2 3.3Å; S181-F185 PolarHBondContact O-N 3Å
182	P	94.3	Very high	91.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-68	-20.4	175.6	-19.5	35.1	0	0	0	114.2	Y169 M171 K178 C180 L184 F185 S186	Y169-P182 VanDerWaalsContact O-CA 3.29Å; Y169-P182 WeakPolarHBondContact O-CA 3.46Å; M171-P182 VanDerWaalsContact O-CB 3.32Å; M171-P182 WeakPolarHBondContact O-CB 3.28Å; K178-P182 HydrophobicContact CB-CG 4.01Å; C180-P182 VanDerWaalsContact C-CD 3.42Å; C180-P182 VanDerWaalsContact C-N 3.33Å; P182-L184 PolarHBondContact O-N 2.79Å; P182-F185 PolarHBondContact O-N 2.66Å; P182-S186 WeakPolarHBondContact O-CB 3.49Å; P182-S186 PolarHBondContact O-N 3.2Å; P182-S186 PolarHBondContact O-OG 2.88Å
183	M	95	Very high	91.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-26.4	178.6	-60	169.2	70.1	0	0	113.2	P77 F80 T81 C180 S181 V187 V229 S232 L233 L236	P77-M183 HydrophobicContact CB-CE 3.65Å; P77-M183 HydrophobicContact CB-SD 3.29Å; P77-M183 WeakPolarHBondContact CB-SD 3.37Å; F80-M183 HydrophobicContact CD1-CB 4.45Å; F80-M183 HydrophobicContact CD1-CE 4.38Å; F80-M183 HydrophobicContact CD1-SD 3.77Å; F80-M183 HydrophobicContact CE1-CB 4.15Å; F80-M183 HydrophobicContact CE1-SD 4.38Å; T81-M183 VanDerWaalsContact OG1-CE 3.3Å; T81-M183 WeakPolarHBondContact OG1-CE 3.44Å; C180-M183 VanDerWaalsContact O-CB 3.26Å; C180-M183 WeakPolarHBondContact O-CB 3.42Å; C180-M183 WeakPolarHBondContact O-CG 3.5Å; C180-M183 PolarHBondContact O-N 2.84Å; S181-M183 PolarHBondContact O-N 2.97Å; M183-V187 WeakPolarHBondContact O-CG2 3.31Å; M183-V229 HydrophobicContact CB-CG1 4.23Å; M183-V229 HydrophobicContact CE-CG1 3.97Å; M183-S232 WeakPolarHBondContact O-CB 3.23Å; M183-S232 PolarHBondContact O-OG 3.07Å; M183-L233 HydrophobicContact CE-CB 3.71Å; M183-L233 HydrophobicContact CE-CD1 4.24Å; M183-L236 HydrophobicContact CE-CD1 4.35Å; M183-L236 HydrophobicContact CG-CD1 3.59Å; M183-L236 HydrophobicContact SD-CD1 3.95Å
184	L	95.8	Very high	91.8	Very high	30 Å²	30	32.9 Å²	32.9	16%	0.157	18%	0.178	C	C	.	.	H	α-helix	trans	-90.6	-49.7	173.9	178	60.5	0	0	0	110.9	F84 S181 P182 S186 V187 F188 L225 V229	F84-L184 HydrophobicContact CE1-CD1 3.92Å; F84-L184 HydrophobicContact CE2-CD1 4.48Å; F84-L184 HydrophobicContact CE2-CD2 3.7Å; F84-L184 HydrophobicContact CZ-CD1 3.59Å; F84-L184 HydrophobicContact CZ-CD2 3.64Å; F84-L184 HydrophobicContact CZ-CG 4.2Å; S181-L184 PolarHBondContact O-N 2.96Å; P182-L184 PolarHBondContact O-N 2.79Å; L184-S186 VanDerWaalsContact C-N 3.33Å; L184-S186 PolarHBondContact O-N 2.87Å; L184-V187 VanDerWaalsContact O-CB 3.32Å; L184-V187 WeakPolarHBondContact O-CB 3.37Å; L184-V187 WeakPolarHBondContact O-CG2 3.09Å; L184-V187 PolarHBondContact O-N 2.74Å; L184-F188 HydrophobicContact CD1-CE2 4.2Å; L184-L225 HydrophobicContact CD1-CD2 4.05Å; L184-V229 HydrophobicContact CB-CG2 4.08Å; L184-V229 HydrophobicContact CD1-CG2 4.05Å
185	F	95.8	Very high	91.9	Very high	81 Å²	81	35.3 Å²	35.3	36%	0.355	19%	0.189	S	C	.	.	H	α-helix	trans	-73.3	-21.5	-174	-60.9	-42	0	0	0	113.7	Y169 F170 S181 P182 V187 F188 S189	Y169-F185 VanDerWaalsContact O-CB 3.3Å; Y169-F185 WeakPolarHBondContact O-CB 3.38Å; F170-F185 HydrophobicContact CD1-CB 3.81Å; F170-F185 WeakPolarHBondContact CD1-O 3.33Å; F170-F185 HydrophobicContact CE1-CB 3.98Å; F170-F185 HydrophobicContact CE1-CG 4.41Å; F170-F185 HydrophobicContact CG-CB 4.19Å; F170-F185 HydrophobicContact CZ-CB 4.5Å; S181-F185 VanDerWaalsContact O-CD2 3.32Å; S181-F185 WeakPolarHBondContact O-CD2 3.3Å; S181-F185 PolarHBondContact O-N 3Å; P182-F185 PolarHBondContact O-N 2.66Å; F185-V187 VanDerWaalsContact C-N 3.27Å; F185-V187 PolarHBondContact O-N 2.68Å; F185-F188 PolarHBondContact O-N 3.37Å; F185-S189 WeakPolarHBondContact O-CB 3.46Å
186	S	95.2	Very high	92.4	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-30.8	171.9	63.8	0	0	0	0	112.2	P182 L184 F188 S189 G250	P182-S186 WeakPolarHBondContact O-CB 3.49Å; P182-S186 PolarHBondContact O-N 3.2Å; P182-S186 PolarHBondContact O-OG 2.88Å; L184-S186 VanDerWaalsContact C-N 3.33Å; L184-S186 PolarHBondContact O-N 2.87Å; S186-F188 PolarHBondContact O-N 2.97Å; S186-S189 WeakPolarHBondContact O-CB 3.48Å; S186-S189 PolarHBondContact O-N 2.84Å; S186-S189 VanDerWaalsContact O-N 3.13Å; S186-G250 PolarHBondContact O-N 3.16Å
187	V	96.6	Very high	92.8	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.024	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.8	176.4	-172.1	0	0	0	0	110.4	M183 L184 F185 S189 Y224 G250 A251 A254	M183-V187 WeakPolarHBondContact O-CG2 3.31Å; L184-V187 VanDerWaalsContact O-CB 3.32Å; L184-V187 WeakPolarHBondContact O-CB 3.37Å; L184-V187 WeakPolarHBondContact O-CG2 3.09Å; L184-V187 PolarHBondContact O-N 2.74Å; F185-V187 VanDerWaalsContact C-N 3.27Å; F185-V187 PolarHBondContact O-N 2.68Å; V187-S189 VanDerWaalsContact C-N 3.34Å; V187-Y224 HydrophobicContact CG1-CE1 4.46Å; V187-G250 CarbonylContact O-C 3.54Å; V187-A251 HydrophobicContact CG1-CB 4.49Å; V187-A251 WeakPolarHBondContact O-CA 3.38Å; V187-A251 VanDerWaalsContact O-CB 3.28Å; V187-A251 WeakPolarHBondContact O-CB 3.29Å; V187-A251 PolarHBondContact O-N 3.24Å; V187-A254 HydrophobicContact CG1-CB 4.05Å
188	F	96.6	Very high	93.2	Very high	23 Å²	23	38.1 Å²	38.1	10%	0.101	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	11.6	179.9	-62.1	-85.8	0	0	0	114.1	I146 L149 N150 I153 L184 F185 S186 Y224 L225	I146-F188 HydrophobicContact CG2-CE1 4.35Å; L149-F188 HydrophobicContact CD2-CD1 3.65Å; L149-F188 HydrophobicContact CD2-CE1 3.79Å; L149-F188 HydrophobicContact CD2-CG 4.31Å; L149-F188 HydrophobicContact CG-CD1 4.12Å; N150-F188 VanDerWaalsContact OD1-C 3.28Å; N150-F188 WeakPolarHBondContact OD1-CA 3.49Å; N150-F188 PolarHBondContact OD1-O 3.22Å; I153-F188 WeakPolarHBondContact CB-O 3.4Å; I153-F188 HydrophobicContact CD1-CB 3.56Å; I153-F188 WeakPolarHBondContact CD1-O 3.49Å; I153-F188 VanDerWaalsContact CG2-O 3.26Å; I153-F188 WeakPolarHBondContact CG2-O 3.42Å; L184-F188 HydrophobicContact CD1-CE2 4.2Å; F185-F188 PolarHBondContact O-N 3.37Å; S186-F188 PolarHBondContact O-N 2.97Å; F188-Y224 HydrophobicContact CE1-CE1 4.06Å; F188-Y224 AromaticContact CZ-CE1 3.98Å; F188-Y224 HydrophobicContact CZ-CE1 3.98Å; F188-L225 HydrophobicContact CE2-CD2 3.95Å; F188-L225 HydrophobicContact CZ-CD2 3.8Å
189	S	95.7	Very high	93.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.			trans	-113.2	125.8	-168.7	-176	0	0	0	0	112.6	W157 F170 F185 S186 V187 V249 G250	W157-S189 PolarHBondContact NE1-OG 2.88Å; F170-S189 VanDerWaalsContact O-CB 3.27Å; F170-S189 WeakPolarHBondContact O-CB 3.48Å; F170-S189 PolarHBondContact O-OG 2.87Å; F185-S189 WeakPolarHBondContact O-CB 3.46Å; S186-S189 WeakPolarHBondContact O-CB 3.48Å; S186-S189 PolarHBondContact O-N 2.84Å; S186-S189 VanDerWaalsContact O-N 3.13Å; V187-S189 VanDerWaalsContact C-N 3.34Å; S189-V249 WeakPolarHBondContact O-CB 3.34Å; S189-G250 VanDerWaalsContact O-CA 3.28Å; S189-G250 WeakPolarHBondContact O-CA 3.36Å; S189-G250 PolarHBondContact O-N 2.85Å
190	H	94.5	Very high	93.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.			trans	-135.3	120.9	177.5	-61	85.7	0	0	0	111.1	N150 C154 H195 L196 N199 A251	N150-H190 PolarHBondContact OD1-CE1 2.9Å; N150-H190 PolarHBondContact OD1-ND1 2.93Å; C154-H190 PolarHBondContact SG-O 2.95Å; H190-H195 AromaticContact CD2-CE1 3.81Å; H190-H195 AromaticContact CD2-CG 3.89Å; H190-H195 AromaticContact CD2-ND1 3.69Å; H190-H195 PolarHBondContact CD2-O 2.7Å; H190-L196 HydrophobicContact CB-CB 3.84Å; H190-L196 HydrophobicContact CB-CD1 4.27Å; H190-N199 PolarHBondContact CD2-ND2 3.31Å; H190-N199 VanDerWaalsContact CD2-ND2 3.29Å; H190-N199 PolarHBondContact NE2-ND2 2.67Å; H190-A251 PolarHBondContact NE2-N 3.21Å
191	I	89.8	Confident	93.7	Very high	25 Å²	25	39.5 Å²	39.5	13%	0.128	22%	0.217	C	C	.	.	S	Bend	trans	-83.9	-27.2	-176.9	-67.3	167.7	0	0	0	112.5	F59 W157 R158 V249	F59-I191 HydrophobicContact CE2-CD1 3.87Å; F59-I191 HydrophobicContact CZ-CD1 3.76Å; W157-I191 HydrophobicContact CD2-CG1 4.17Å; W157-I191 HydrophobicContact CZ2-CD1 4.43Å; W157-I191 HydrophobicContact CZ2-CG1 4.16Å; R158-I191 PolarHBondContact NH2-O 3.16Å; I191-V249 HydrophobicContact CD1-CG1 4.06Å; I191-V249 HydrophobicContact CD1-CG2 3.9Å; I191-V249 HydrophobicContact CG1-CG2 4.11Å
192	S	89.6	Confident	93.7	Very high	47 Å²	47	39.2 Å²	39.2	33%	0.329	21%	0.214	S	C	.	.	S	Bend	trans	-118.4	145.1	176.7	75	0	0	0	0	111.8	I194 H195 L196	S192-I194 VanDerWaalsContact C-N 3.26Å; S192-I194 PolarHBondContact O-N 2.84Å; S192-H195 PolarHBondContact O-N 3.01Å; S192-H195 WeakPolarHBondContact OG-CB 3.46Å; S192-H195 PolarHBondContact OG-N 2.77Å; S192-L196 PolarHBondContact O-N 2.84Å; S192-L196 VanDerWaalsContact O-N 3.09Å
193	P	91.1	Very high	93.8	Very high	81 Å²	81	39.2 Å²	39.2	53%	0.526	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-31.4	179.1	-23	34.7	0	0	0	113.2	L196 A197	P193-L196 WeakPolarHBondContact O-CB 3.45Å; P193-L196 PolarHBondContact O-N 3.43Å; P193-A197 WeakPolarHBondContact O-CB 3.4Å; P193-A197 PolarHBondContact O-N 2.84Å
194	I	90.3	Very high	93.7	Very high	134 Å²	134	43.8 Å²	43.8	69%	0.687	23%	0.231	S	C	*	.	H	α-helix	trans	-67.9	-42.1	177.1	-59.7	172.6	0	0	0	110.6	S192 L196 A197 V198	S192-I194 VanDerWaalsContact C-N 3.26Å; S192-I194 PolarHBondContact O-N 2.84Å; I194-L196 VanDerWaalsContact C-N 3.31Å; I194-L196 PolarHBondContact O-N 3.31Å; I194-A197 PolarHBondContact O-N 2.94Å; I194-V198 HydrophobicContact CG2-CG2 4.42Å; I194-V198 WeakPolarHBondContact O-CG2 3.39Å; I194-V198 PolarHBondContact O-N 2.69Å
195	H	91.8	Very high	93.5	Very high	56 Å²	56	45 Å²	45	26%	0.259	24%	0.242	S	C	.	.	H	α-helix	trans	-67.1	-32.6	176.2	-177.7	-147.1	0	0	0	112.1	H190 S192 N199 V249	H190-H195 AromaticContact CD2-CE1 3.81Å; H190-H195 AromaticContact CD2-CG 3.89Å; H190-H195 AromaticContact CD2-ND1 3.69Å; H190-H195 PolarHBondContact CD2-O 2.7Å; S192-H195 PolarHBondContact O-N 3.01Å; S192-H195 WeakPolarHBondContact OG-CB 3.46Å; S192-H195 PolarHBondContact OG-N 2.77Å; H195-N199 PolarHBondContact CD2-ND2 2.83Å; H195-N199 PolarHBondContact NE2-ND2 3.35Å; H195-N199 WeakPolarHBondContact O-CB 3.46Å; H195-N199 PolarHBondContact O-ND2 2.87Å; H195-V249 PolarHBondContact CE1-O 2.82Å
196	L	94.5	Very high	93.3	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-55.3	168.1	177.2	66.7	0	0	0	110.7	N150 C154 H190 S192 P193 I194 V198 N199 M200	N150-L196 HydrophobicContact CB-CD1 3.59Å; C154-L196 HydrophobicContact CB-CD2 3.85Å; H190-L196 HydrophobicContact CB-CB 3.84Å; H190-L196 HydrophobicContact CB-CD1 4.27Å; S192-L196 PolarHBondContact O-N 2.84Å; S192-L196 VanDerWaalsContact O-N 3.09Å; P193-L196 WeakPolarHBondContact O-CB 3.45Å; P193-L196 PolarHBondContact O-N 3.43Å; I194-L196 VanDerWaalsContact C-N 3.31Å; I194-L196 PolarHBondContact O-N 3.31Å; L196-V198 PolarHBondContact O-N 2.84Å; L196-N199 PolarHBondContact O-N 3.42Å; L196-M200 HydrophobicContact CD1-CG 3.58Å; L196-M200 HydrophobicContact CD1-SD 4.26Å; L196-M200 HydrophobicContact CG-CG 4.08Å; L196-M200 WeakPolarHBondContact O-CB 3.31Å; L196-M200 VanDerWaalsContact O-CG 3.31Å; L196-M200 WeakPolarHBondContact O-CG 3.32Å; L196-M200 PolarHBondContact O-N 3.19Å
197	A	94	Very high	93.2	Very high	59 Å²	59	43 Å²	43	49%	0.488	23%	0.233	S	C	.	.	H	α-helix	trans	-58.5	-45.4	-173.3	0	0	0	0	0	113.2	P193 I194 M200 Y201	P193-A197 WeakPolarHBondContact O-CB 3.4Å; P193-A197 PolarHBondContact O-N 2.84Å; I194-A197 PolarHBondContact O-N 2.94Å; A197-M200 PolarHBondContact O-N 3.38Å; A197-Y201 VanDerWaalsContact O-CB 3.3Å; A197-Y201 WeakPolarHBondContact O-CB 3.4Å; A197-Y201 PolarHBondContact O-N 2.87Å
198	V	91.8	Very high	93.1	Very high	85 Å²	85	43.7 Å²	43.7	52%	0.515	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-44.9	178.2	173.6	0	0	0	0	111.4	I194 L196 Y201 V202	I194-V198 HydrophobicContact CG2-CG2 4.42Å; I194-V198 WeakPolarHBondContact O-CG2 3.39Å; I194-V198 PolarHBondContact O-N 2.69Å; L196-V198 PolarHBondContact O-N 2.84Å; V198-Y201 PolarHBondContact O-N 2.86Å; V198-V202 WeakPolarHBondContact O-CG2 3.41Å; V198-V202 PolarHBondContact O-N 3.49Å; V198-V202 VanDerWaalsContact O-N 3.15Å
199	N	94.5	Very high	92.8	Very high	13 Å²	13	46 Å²	46	7%	0.07	25%	0.25	C	C	.	.	H	α-helix	trans	-65.8	-43.7	178.1	-77.4	-40.7	0	0	0	112.1	H190 H195 L196 Y201 V202 L203 S252 I255	H190-N199 PolarHBondContact CD2-ND2 3.31Å; H190-N199 VanDerWaalsContact CD2-ND2 3.29Å; H190-N199 PolarHBondContact NE2-ND2 2.67Å; H195-N199 PolarHBondContact CD2-ND2 2.83Å; H195-N199 PolarHBondContact NE2-ND2 3.35Å; H195-N199 WeakPolarHBondContact O-CB 3.46Å; H195-N199 PolarHBondContact O-ND2 2.87Å; L196-N199 PolarHBondContact O-N 3.42Å; N199-Y201 VanDerWaalsContact C-N 3.35Å; N199-V202 PolarHBondContact O-N 3.19Å; N199-L203 WeakPolarHBondContact O-CB 3.4Å; N199-L203 PolarHBondContact O-N 3.14Å; N199-S252 WeakPolarHBondContact OD1-CB 3.47Å; N199-I255 HydrophobicContact CB-CD1 3.63Å; N199-I255 VanDerWaalsContact O-CD1 3.27Å; N199-I255 WeakPolarHBondContact O-CD1 3.33Å
200	M	96	Very high	92.7	Very high	14 Å²	14	46 Å²	46	7%	0.069	25%	0.25	C	C	.	.	H	α-helix	trans	-69.5	-32.8	-179.8	-65.1	-56.4	95.3	0	0	112.1	V147 N150 L196 A197 L203 W204 A251	V147-M200 HydrophobicContact CB-SD 4.27Å; V147-M200 HydrophobicContact CG2-CB 4.13Å; V147-M200 HydrophobicContact CG2-CG 4.21Å; V147-M200 HydrophobicContact CG2-SD 3.77Å; N150-M200 HydrophobicContact CB-CE 4.26Å; N150-M200 HydrophobicContact CB-SD 3.88Å; L196-M200 HydrophobicContact CD1-CG 3.58Å; L196-M200 HydrophobicContact CD1-SD 4.26Å; L196-M200 HydrophobicContact CG-CG 4.08Å; L196-M200 WeakPolarHBondContact O-CB 3.31Å; L196-M200 VanDerWaalsContact O-CG 3.31Å; L196-M200 WeakPolarHBondContact O-CG 3.32Å; L196-M200 PolarHBondContact O-N 3.19Å; A197-M200 PolarHBondContact O-N 3.38Å; M200-L203 HydrophobicContact CE-CD2 4.25Å; M200-L203 HydrophobicContact SD-CD2 4.4Å; M200-W204 VanDerWaalsContact O-CB 3.31Å; M200-W204 WeakPolarHBondContact O-CB 3.37Å; M200-W204 PolarHBondContact O-N 2.99Å; M200-A251 HydrophobicContact CE-CB 4.2Å
201	Y	93.4	Very high	92.7	Very high	119 Å²	119	46.2 Å²	46.2	47%	0.467	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-54	171.4	-179.3	-80.1	0	0	0	111.3	A197 V198 N199 L203 W204 S205 I274	A197-Y201 VanDerWaalsContact O-CB 3.3Å; A197-Y201 WeakPolarHBondContact O-CB 3.4Å; A197-Y201 PolarHBondContact O-N 2.87Å; V198-Y201 PolarHBondContact O-N 2.86Å; N199-Y201 VanDerWaalsContact C-N 3.35Å; Y201-L203 VanDerWaalsContact C-N 3.29Å; Y201-L203 PolarHBondContact O-N 3.21Å; Y201-W204 WeakPolarHBondContact O-CB 3.45Å; Y201-W204 PolarHBondContact O-N 2.68Å; Y201-W204 VanDerWaalsContact O-N 3.09Å; Y201-S205 WeakPolarHBondContact CE1-OG 3.5Å; Y201-S205 PolarHBondContact O-N 3.44Å; Y201-S205 PolarHBondContact O-OG 3.38Å; Y201-I274 HydrophobicContact CD1-CD1 3.55Å; Y201-I274 HydrophobicContact CD1-CG1 4.34Å; Y201-I274 HydrophobicContact CE1-CD1 3.3Å; Y201-I274 HydrophobicContact CE1-CG1 3.59Å; Y201-I274 HydrophobicContact CE1-CG2 4.29Å
202	V	92.6	Very high	92.8	Very high	31 Å²	31	48.2 Å²	48.2	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-36.9	-178.3	-179.6	0	0	0	0	111	V198 N199 S205 F206 I255	V198-V202 WeakPolarHBondContact O-CG2 3.41Å; V198-V202 PolarHBondContact O-N 3.49Å; V198-V202 VanDerWaalsContact O-N 3.15Å; N199-V202 PolarHBondContact O-N 3.19Å; V202-S205 PolarHBondContact O-N 3.04Å; V202-F206 HydrophobicContact CG1-CD2 3.98Å; V202-F206 HydrophobicContact CG1-CE2 4.18Å; V202-F206 WeakPolarHBondContact O-CD2 3.48Å; V202-F206 PolarHBondContact O-N 2.93Å; V202-I255 HydrophobicContact CB-CG2 3.96Å; V202-I255 HydrophobicContact CG1-CG2 3.47Å; V202-I255 VanDerWaalsContact CG1-CG2 3.47Å
203	L	94.9	Very high	92.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-45.7	172.3	-172.3	69.7	0	0	0	111.6	V143 I146 N199 M200 Y201 S205 F206 A207 Y224 I255	V143-L203 HydrophobicContact CG1-CD2 4.21Å; V143-L203 HydrophobicContact CG1-CG 4.19Å; I146-L203 HydrophobicContact CB-CD2 4.09Å; I146-L203 HydrophobicContact CD1-CD2 4.46Å; I146-L203 HydrophobicContact CG2-CD2 3.52Å; N199-L203 WeakPolarHBondContact O-CB 3.4Å; N199-L203 PolarHBondContact O-N 3.14Å; M200-L203 HydrophobicContact CE-CD2 4.25Å; M200-L203 HydrophobicContact SD-CD2 4.4Å; Y201-L203 VanDerWaalsContact C-N 3.29Å; Y201-L203 PolarHBondContact O-N 3.21Å; L203-S205 VanDerWaalsContact C-N 3.33Å; L203-S205 PolarHBondContact O-N 3.03Å; L203-F206 PolarHBondContact O-N 2.65Å; L203-A207 HydrophobicContact CD1-CB 3.82Å; L203-A207 HydrophobicContact CG-CB 4.17Å; L203-A207 WeakPolarHBondContact O-CB 3.26Å; L203-A207 PolarHBondContact O-N 3.36Å; L203-Y224 HydrophobicContact CD1-CD2 4.39Å; L203-Y224 HydrophobicContact CD1-CE2 3.81Å; L203-I255 HydrophobicContact CB-CD1 4.35Å; L203-I255 HydrophobicContact CB-CG1 4.34Å; L203-I255 HydrophobicContact CD1-CG1 4.2Å
204	W	94	Very high	92.6	Very high	97 Å²	97	52.6 Å²	52.6	37%	0.367	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-34.7	178	-170.5	-79.5	0	0	0	113.2	T140 V143 L144 M200 Y201 P208	T140-W204 HydrophobicContact CG2-CH2 3.59Å; T140-W204 HydrophobicContact CG2-CZ2 3.73Å; T140-W204 HydrophobicContact CG2-CZ3 4.37Å; V143-W204 HydrophobicContact CB-CE3 4.23Å; V143-W204 HydrophobicContact CG1-CB 4.25Å; V143-W204 HydrophobicContact CG1-CD2 4.34Å; V143-W204 HydrophobicContact CG1-CE3 3.61Å; V143-W204 HydrophobicContact CG1-CZ3 4.33Å; L144-W204 HydrophobicContact CB-CZ3 4.46Å; M200-W204 VanDerWaalsContact O-CB 3.31Å; M200-W204 WeakPolarHBondContact O-CB 3.37Å; M200-W204 PolarHBondContact O-N 2.99Å; Y201-W204 WeakPolarHBondContact O-CB 3.45Å; Y201-W204 PolarHBondContact O-N 2.68Å; Y201-W204 VanDerWaalsContact O-N 3.09Å; W204-P208 WeakPolarHBondContact O-CD 3.35Å; W204-P208 WeakPolarHBondContact O-CG 3.25Å
205	S	90.7	Very high	92.6	Very high	56 Å²	56	46.9 Å²	46.9	39%	0.392	24%	0.237	S	C	.	.	H	α-helix	trans	-67.9	-34.3	178.2	-60.6	0	0	0	0	114.2	Y201 V202 L203	Y201-S205 WeakPolarHBondContact CE1-OG 3.5Å; Y201-S205 PolarHBondContact O-N 3.44Å; Y201-S205 PolarHBondContact O-OG 3.38Å; V202-S205 PolarHBondContact O-N 3.04Å; L203-S205 VanDerWaalsContact C-N 3.33Å; L203-S205 PolarHBondContact O-N 3.03Å
206	F	92.2	Very high	92.7	Very high	42 Å²	42	45.7 Å²	45.7	18%	0.184	24%	0.239	C	C	.	.	H	α-helix	trans	-117.5	-29.3	-168.7	-66.4	-75.1	0	0	0	115.1	V202 L203 L210 L258 L259 T262 L271	V202-F206 HydrophobicContact CG1-CD2 3.98Å; V202-F206 HydrophobicContact CG1-CE2 4.18Å; V202-F206 WeakPolarHBondContact O-CD2 3.48Å; V202-F206 PolarHBondContact O-N 2.93Å; L203-F206 PolarHBondContact O-N 2.65Å; F206-L210 PolarHBondContact O-N 2.95Å; F206-L210 VanDerWaalsContact O-N 3.1Å; F206-L258 HydrophobicContact CB-CD2 3.46Å; F206-L258 VanDerWaalsContact CB-CD2 3.46Å; F206-L259 HydrophobicContact CD1-CD1 4.34Å; F206-L259 HydrophobicContact CD2-CD1 4.06Å; F206-L259 HydrophobicContact CE1-CD1 4.01Å; F206-L259 HydrophobicContact CE2-CD1 3.73Å; F206-L259 HydrophobicContact CG-CD1 4.36Å; F206-L259 HydrophobicContact CZ-CD1 3.71Å; F206-T262 HydrophobicContact CD1-CG2 4.34Å; F206-L271 HydrophobicContact CE1-CD2 3.82Å; F206-L271 HydrophobicContact CZ-CD2 4Å
207	A	93.8	Very high	92.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.2	-33.8	-176.5	0	0	0	0	0	115.2	V143 L203 L210 V211 F220 L258	V143-A207 HydrophobicContact CG2-CB 3.5Å; L203-A207 HydrophobicContact CD1-CB 3.82Å; L203-A207 HydrophobicContact CG-CB 4.17Å; L203-A207 WeakPolarHBondContact O-CB 3.26Å; L203-A207 PolarHBondContact O-N 3.36Å; A207-L210 PolarHBondContact O-N 2.88Å; A207-V211 WeakPolarHBondContact O-CG2 3.41Å; A207-V211 PolarHBondContact O-N 3.05Å; A207-F220 HydrophobicContact CB-CE2 3.62Å; A207-F220 HydrophobicContact CB-CZ 3.83Å; A207-L258 HydrophobicContact CB-CD1 3.93Å
208	P	93.3	Very high	92.6	Very high	17 Å²	17	44.9 Å²	44.9	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-46.7	174.8	-22.6	35.5	0	0	0	111.3	V143 W204 L210 V211 D212	V143-P208 HydrophobicContact CG2-CG 3.97Å; W204-P208 WeakPolarHBondContact O-CD 3.35Å; W204-P208 WeakPolarHBondContact O-CG 3.25Å; P208-L210 VanDerWaalsContact C-N 3.27Å; P208-L210 PolarHBondContact O-N 2.59Å; P208-V211 PolarHBondContact O-N 3.43Å; P208-D212 VanDerWaalsContact O-CB 3.32Å; P208-D212 WeakPolarHBondContact O-CB 3.36Å; P208-D212 PolarHBondContact O-N 2.93Å
209	L	91.1	Very high	92.8	Very high	71 Å²	71	41.3 Å²	41.3	37%	0.372	20%	0.204	S	C	.	.	H	α-helix	trans	-54	-43.3	172.4	178.5	65.6	0	0	0	111.7	R213 T262 I266	L209-R213 HydrophobicContact CD1-CB 4.27Å; L209-R213 HydrophobicContact CD1-CG 4.24Å; L209-R213 WeakPolarHBondContact O-CB 3.48Å; L209-R213 PolarHBondContact O-N 3.47Å; L209-T262 HydrophobicContact CD2-CG2 4.3Å; L209-I266 HydrophobicContact CD2-CD1 4.18Å
210	L	92.7	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-67.8	-42.3	-179.3	-151.3	80.8	0	0	0	113.3	F206 A207 P208 L214 T215 F220 L258 Y261 T262	F206-L210 PolarHBondContact O-N 2.95Å; F206-L210 VanDerWaalsContact O-N 3.1Å; A207-L210 PolarHBondContact O-N 2.88Å; P208-L210 VanDerWaalsContact C-N 3.27Å; P208-L210 PolarHBondContact O-N 2.59Å; L210-L214 HydrophobicContact CD1-CB 4.15Å; L210-L214 HydrophobicContact CD1-CD1 3.76Å; L210-L214 HydrophobicContact CG-CB 4.43Å; L210-L214 CarbonylContact O-C 3.58Å; L210-L214 PolarHBondContact O-N 3.11Å; L210-T215 HydrophobicContact CD2-CG2 4.16Å; L210-T215 HydrophobicContact CG-CG2 4.09Å; L210-T215 PolarHBondContact O-N 3.27Å; L210-T215 PolarHBondContact O-OG1 3.23Å; L210-F220 HydrophobicContact CD2-CD2 4.2Å; L210-L258 HydrophobicContact CD2-CD1 3.94Å; L210-L258 HydrophobicContact CD2-CG 4.12Å; L210-Y261 HydrophobicContact CD1-CD1 3.5Å; L210-Y261 VanDerWaalsContact CD1-CD1 3.5Å; L210-Y261 HydrophobicContact CD1-CE1 3.71Å; L210-Y261 HydrophobicContact CD2-CD1 3.82Å; L210-Y261 HydrophobicContact CD2-CE1 4.12Å; L210-Y261 HydrophobicContact CG-CD1 4.15Å; L210-Y261 HydrophobicContact CG-CE1 4.18Å; L210-T262 VanDerWaalsContact CD1-OG1 3.3Å; L210-T262 WeakPolarHBondContact CD1-OG1 3.47Å
211	V	94.5	Very high	92.8	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.036	21%	0.209	C	C	.	.	I	π-helix	trans	-68.7	-53.1	177.5	174	0	0	0	0	110.4	I138 A207 P208 G216 F220	I138-V211 HydrophobicContact CG2-CG1 4.24Å; A207-V211 WeakPolarHBondContact O-CG2 3.41Å; A207-V211 PolarHBondContact O-N 3.05Å; P208-V211 PolarHBondContact O-N 3.43Å; V211-G216 VanDerWaalsContact O-CA 3.25Å; V211-G216 WeakPolarHBondContact O-CA 3.26Å; V211-G216 PolarHBondContact O-N 3.33Å; V211-F220 HydrophobicContact CG2-CB 3.72Å; V211-F220 HydrophobicContact CG2-CD1 3.87Å; V211-F220 HydrophobicContact CG2-CD2 3.42Å; V211-F220 VanDerWaalsContact CG2-CD2 3.42Å; V211-F220 HydrophobicContact CG2-CE1 4.38Å; V211-F220 HydrophobicContact CG2-CE2 3.96Å; V211-F220 HydrophobicContact CG2-CG 3.37Å; V211-F220 HydrophobicContact CG2-CZ 4.42Å
212	D	91.4	Very high	93	Very high	67 Å²	67	37.2 Å²	37.2	36%	0.358	19%	0.189	S	C	.	.	I	π-helix	trans	-79.4	-21.5	-166.9	-62.7	-42.3	0	0	0	113.3	S137 I138 G139 P208	S137-D212 WeakPolarHBondContact CB-OD2 3.36Å; S137-D212 PolarHBondContact OG-OD2 3.1Å; I138-D212 PolarHBondContact N-OD1 2.79Å; G139-D212 WeakPolarHBondContact CA-OD2 3.2Å; G139-D212 PolarHBondContact N-OD1 3.02Å; G139-D212 PolarHBondContact N-OD2 3.15Å; P208-D212 VanDerWaalsContact O-CB 3.32Å; P208-D212 WeakPolarHBondContact O-CB 3.36Å; P208-D212 PolarHBondContact O-N 2.93Å
213	R	88.8	Confident	93.2	Very high	160 Å²	160	35.8 Å²	35.8	60%	0.604	18%	0.181	S	C	*	.	I	π-helix	trans	-122.7	-17.8	-179.9	-67.2	-67.1	-156.8	156.8	7.6	116.5	L209 E604	L209-R213 HydrophobicContact CD1-CB 4.27Å; L209-R213 HydrophobicContact CD1-CG 4.24Å; L209-R213 WeakPolarHBondContact O-CB 3.48Å; L209-R213 PolarHBondContact O-N 3.47Å; R213-E604 IonicContact CZ-OE1 3.48Å; R213-E604 IonicContact CZ-OE2 2.8Å; R213-E604 IonicContact NH1-OE1 3.11Å; R213-E604 PolarHBondContact NH1-OE1 2.94Å; R213-E604 IonicContact NH1-OE2 3.84Å; R213-E604 PolarHBondContact NH1-OE2 3.06Å; R213-E604 IonicContact NH2-OE1 2.69Å; R213-E604 PolarHBondContact NH2-OE1 3.49Å; R213-E604 IonicContact NH2-OE2 3.67Å; R213-E604 PolarHBondContact NH2-OE2 3.28Å
214	L	89.5	Confident	93.3	Very high	60 Å²	60	36 Å²	36	31%	0.314	18%	0.181	S	C	.	.	I	π-helix	trans	-128.2	-21.6	-169.5	-74.5	177.1	0	0	0	117.6	L210 K265 I266	L210-L214 HydrophobicContact CD1-CB 4.15Å; L210-L214 HydrophobicContact CD1-CD1 3.76Å; L210-L214 HydrophobicContact CG-CB 4.43Å; L210-L214 CarbonylContact O-C 3.58Å; L210-L214 PolarHBondContact O-N 3.11Å; L214-K265 HydrophobicContact CD1-CB 3.98Å; L214-K265 HydrophobicContact CD1-CG 4.46Å; L214-K265 HydrophobicContact CD2-CB 4.37Å; L214-I266 HydrophobicContact CD1-CD1 4.18Å; L214-I266 HydrophobicContact CD1-CG1 4.34Å
215	T	90.1	Very high	93.4	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.086	18%	0.175	C	C	.	.	I	π-helix	trans	-140.2	-25.9	-171.9	55.4	0	0	0	0	115	L210 Q219 Y261	L210-T215 HydrophobicContact CD2-CG2 4.16Å; L210-T215 HydrophobicContact CG-CG2 4.09Å; L210-T215 PolarHBondContact O-N 3.27Å; L210-T215 PolarHBondContact O-OG1 3.23Å; T215-Q219 VanDerWaalsContact O-CB 3.25Å; T215-Q219 WeakPolarHBondContact O-CB 3.25Å; T215-Q219 PolarHBondContact O-OE1 3.46Å; T215-Y261 HydrophobicContact CG2-CE1 3.65Å
216	G	92.2	Very high	93.7	Very high	30 Å²	30	31.8 Å²	31.8	31%	0.309	16%	0.162	S	C	.	.	H	α-helix	trans	70.6	172.6	-169.1	0	0	0	0	0	113.1	V211 F220	V211-G216 VanDerWaalsContact O-CA 3.25Å; V211-G216 WeakPolarHBondContact O-CA 3.26Å; V211-G216 PolarHBondContact O-N 3.33Å; G216-F220 VanDerWaalsContact O-CB 3.27Å; G216-F220 WeakPolarHBondContact O-CB 3.47Å; G216-F220 PolarHBondContact O-N 2.97Å
217	L	94.1	Very high	94	Very high	41 Å²	41	29.8 Å²	29.8	22%	0.215	15%	0.153	C	C	.	.	H	α-helix	trans	-64.2	-47.8	-168.6	-177.9	66.2	0	0	0	113	W95 I138 T142 H221	W95-L217 HydrophobicContact CH2-CD2 4.08Å; W95-L217 HydrophobicContact CH2-CG 4.19Å; W95-L217 HydrophobicContact CZ2-CD2 3.81Å; W95-L217 HydrophobicContact CZ2-CG 4.37Å; I138-L217 HydrophobicContact CG2-CB 4.26Å; I138-L217 HydrophobicContact CG2-CD1 4.01Å; I138-L217 HydrophobicContact CG2-CD2 4.4Å; I138-L217 HydrophobicContact CG2-CG 4.47Å; T142-L217 HydrophobicContact CG2-CD1 4.35Å; T142-L217 WeakPolarHBondContact OG1-CD1 3.45Å; L217-H221 PolarHBondContact O-N 3.46Å; L217-H221 PolarHBondContact O-ND1 2.88Å
218	E	93.9	Very high	94.1	Very high	19 Å²	19	29.9 Å²	29.9	9%	0.089	15%	0.154	C	C	.	.	H	α-helix	trans	-74	-43.6	-171.4	-64.9	88.9	166.4	0	0	112.3	A92 W95 Q96 S99 H221 A222	A92-E218 HydrophobicContact CB-CB 4.19Å; A92-E218 WeakPolarHBondContact CB-O 3.42Å; W95-E218 HydrophobicContact CB-CG 4.09Å; W95-E218 HydrophobicContact CD2-CG 3.68Å; W95-E218 HydrophobicContact CE3-CG 3.89Å; W95-E218 HydrophobicContact CG-CG 3.81Å; W95-E218 HydrophobicContact CZ3-CG 4.5Å; Q96-E218 HydrophobicContact CB-CB 4.16Å; Q96-E218 HydrophobicContact CB-CG 4.02Å; S99-E218 WeakPolarHBondContact CB-OE1 3.5Å; S99-E218 PolarHBondContact OG-OE1 2.77Å; E218-H221 PolarHBondContact O-N 3.21Å; E218-A222 PolarHBondContact O-N 3.17Å; E218-A222 VanDerWaalsContact O-N 3.12Å
219	Q	95	Very high	94.3	Very high	11 Å²	11	29.1 Å²	29.1	5%	0.051	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-41.9	177.3	-168.2	-176.8	12.3	0	0	111.2	T215 H221 A222 F223 Y320 W328	T215-Q219 VanDerWaalsContact O-CB 3.25Å; T215-Q219 WeakPolarHBondContact O-CB 3.25Å; T215-Q219 PolarHBondContact O-OE1 3.46Å; Q219-H221 VanDerWaalsContact C-N 3.32Å; Q219-H221 PolarHBondContact O-N 3.47Å; Q219-A222 PolarHBondContact O-N 3.28Å; Q219-F223 WeakPolarHBondContact O-CB 3.48Å; Q219-F223 PolarHBondContact O-N 3.26Å; Q219-Y320 VanDerWaalsContact CG-OH 3.26Å; Q219-Y320 WeakPolarHBondContact CG-OH 3.12Å; Q219-Y320 PolarHBondContact NE2-OH 2.87Å; Q219-Y320 VanDerWaalsContact NE2-OH 3.08Å; Q219-W328 HydrophobicContact CB-CD2 4.05Å; Q219-W328 HydrophobicContact CB-CH2 4.15Å; Q219-W328 HydrophobicContact CB-CZ2 3.59Å; Q219-W328 HydrophobicContact CG-CD2 3.59Å; Q219-W328 HydrophobicContact CG-CE3 4.05Å; Q219-W328 HydrophobicContact CG-CG 3.86Å; Q219-W328 HydrophobicContact CG-CZ2 4.11Å
220	F	96.2	Very high	94.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.1	-46.7	175	171.8	-88.5	0	0	0	111.9	T142 I146 A207 L210 V211 G216 F223 Y224 L258	T142-F220 HydrophobicContact CG2-CD1 3.78Å; T142-F220 HydrophobicContact CG2-CE1 3.51Å; T142-F220 HydrophobicContact CG2-CZ 4.39Å; I146-F220 HydrophobicContact CD1-CE1 3.88Å; I146-F220 HydrophobicContact CD1-CZ 4.2Å; A207-F220 HydrophobicContact CB-CE2 3.62Å; A207-F220 HydrophobicContact CB-CZ 3.83Å; L210-F220 HydrophobicContact CD2-CD2 4.2Å; V211-F220 HydrophobicContact CG2-CB 3.72Å; V211-F220 HydrophobicContact CG2-CD1 3.87Å; V211-F220 HydrophobicContact CG2-CD2 3.42Å; V211-F220 VanDerWaalsContact CG2-CD2 3.42Å; V211-F220 HydrophobicContact CG2-CE1 4.38Å; V211-F220 HydrophobicContact CG2-CE2 3.96Å; V211-F220 HydrophobicContact CG2-CG 3.37Å; V211-F220 HydrophobicContact CG2-CZ 4.42Å; G216-F220 VanDerWaalsContact O-CB 3.27Å; G216-F220 WeakPolarHBondContact O-CB 3.47Å; G216-F220 PolarHBondContact O-N 2.97Å; F220-F223 PolarHBondContact O-N 2.84Å; F220-Y224 WeakPolarHBondContact O-CB 3.39Å; F220-Y224 PolarHBondContact O-N 3.5Å; F220-L258 HydrophobicContact CD2-CD1 4.35Å; F220-L258 HydrophobicContact CE2-CD1 3.56Å; F220-L258 HydrophobicContact CZ-CD1 4.39Å
221	H	95.2	Very high	94.9	Very high	54 Å²	54	27.3 Å²	27.3	25%	0.25	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-43.3	179.3	-80.1	87.3	0	0	0	111.9	T142 L217 E218 Q219 F223 L225	T142-H221 VanDerWaalsContact CG2-CE1 3.44Å; T142-H221 WeakPolarHBondContact CG2-CE1 3.38Å; L217-H221 PolarHBondContact O-N 3.46Å; L217-H221 PolarHBondContact O-ND1 2.88Å; E218-H221 PolarHBondContact O-N 3.21Å; Q219-H221 VanDerWaalsContact C-N 3.32Å; Q219-H221 PolarHBondContact O-N 3.47Å; H221-F223 PolarHBondContact O-N 3.45Å; H221-L225 WeakPolarHBondContact O-CB 3.47Å; H221-L225 WeakPolarHBondContact O-CD1 3.48Å; H221-L225 WeakPolarHBondContact O-CG 3.32Å; H221-L225 PolarHBondContact O-N 2.88Å; H221-L225 VanDerWaalsContact O-N 3.15Å
222	A	96	Very high	95	Very high	6 Å²	6	27.5 Å²	27.5	5%	0.05	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-44.1	175.4	0	0	0	0	0	111.8	C88 A92 E218 Q219 T226 W328	C88-A222 HydrophobicContact CB-CB 4.38Å; A92-A222 HydrophobicContact CB-CB 3.83Å; E218-A222 PolarHBondContact O-N 3.17Å; E218-A222 VanDerWaalsContact O-N 3.12Å; Q219-A222 PolarHBondContact O-N 3.28Å; A222-T226 VanDerWaalsContact O-CB 3.22Å; A222-T226 WeakPolarHBondContact O-CB 3.32Å; A222-T226 PolarHBondContact O-N 2.93Å; A222-T226 PolarHBondContact O-OG1 2.89Å; A222-W328 HydrophobicContact CB-CZ3 4.44Å
223	F	96.9	Very high	95.2	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-49.8	179.4	174.4	-96.2	0	0	0	112.9	Q219 F220 H221 L225 T226 S227 A257 L258 Y261 F316 Y320	Q219-F223 WeakPolarHBondContact O-CB 3.48Å; Q219-F223 PolarHBondContact O-N 3.26Å; F220-F223 PolarHBondContact O-N 2.84Å; H221-F223 PolarHBondContact O-N 3.45Å; F223-L225 PolarHBondContact O-N 3.02Å; F223-T226 PolarHBondContact O-N 3.31Å; F223-S227 VanDerWaalsContact O-CB 3.25Å; F223-S227 WeakPolarHBondContact O-CB 3.34Å; F223-S227 PolarHBondContact O-N 3.4Å; F223-S227 PolarHBondContact O-OG 3.21Å; F223-A257 HydrophobicContact CE1-CB 4.37Å; F223-A257 HydrophobicContact CZ-CB 3.9Å; F223-L258 HydrophobicContact CE1-CB 4.07Å; F223-Y261 HydrophobicContact CZ-CG 4.41Å; F223-F316 HydrophobicContact CD2-CD1 4.49Å; F223-F316 AromaticContact CD2-CE1 3.77Å; F223-F316 HydrophobicContact CD2-CE1 3.77Å; F223-F316 AromaticContact CE2-CD1 3.93Å; F223-F316 HydrophobicContact CE2-CD1 3.93Å; F223-F316 AromaticContact CE2-CE1 3.65Å; F223-F316 HydrophobicContact CE2-CE1 3.65Å; F223-Y320 HydrophobicContact CB-CE1 4.35Å; F223-Y320 AromaticContact CD2-CD1 3.35Å; F223-Y320 HydrophobicContact CD2-CD1 3.35Å; F223-Y320 AromaticContact CD2-CD2 3.93Å; F223-Y320 HydrophobicContact CD2-CD2 3.93Å; F223-Y320 AromaticContact CD2-CE1 3.61Å; F223-Y320 HydrophobicContact CD2-CE1 3.61Å; F223-Y320 HydrophobicContact CD2-CE2 4.17Å; F223-Y320 AromaticContact CD2-CG 3.53Å; F223-Y320 HydrophobicContact CD2-CG 3.53Å; F223-Y320 AromaticContact CE2-CD1 3.62Å; F223-Y320 HydrophobicContact CE2-CD1 3.62Å; F223-Y320 HydrophobicContact CE2-CD2 4.36Å; F223-Y320 HydrophobicContact CE2-CE1 4.33Å; F223-Y320 AromaticContact CE2-CG 3.64Å; F223-Y320 HydrophobicContact CE2-CG 3.64Å; F223-Y320 HydrophobicContact CG-CD1 4.34Å; F223-Y320 HydrophobicContact CG-CE1 4.25Å
224	Y	97.4	Very high	95.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-64.1	-41.3	-178.1	-176.8	-97.8	0	0	0	112.2	I146 V187 F188 L203 F220 S227 G228 A254	I146-Y224 HydrophobicContact CD1-CD1 4.45Å; I146-Y224 HydrophobicContact CD1-CE1 4.33Å; I146-Y224 HydrophobicContact CG2-CE1 4.44Å; V187-Y224 HydrophobicContact CG1-CE1 4.46Å; F188-Y224 HydrophobicContact CE1-CE1 4.06Å; F188-Y224 AromaticContact CZ-CE1 3.98Å; F188-Y224 HydrophobicContact CZ-CE1 3.98Å; L203-Y224 HydrophobicContact CD1-CD2 4.39Å; L203-Y224 HydrophobicContact CD1-CE2 3.81Å; F220-Y224 WeakPolarHBondContact O-CB 3.39Å; F220-Y224 PolarHBondContact O-N 3.5Å; Y224-S227 WeakPolarHBondContact CA-OG 3.2Å; Y224-S227 PolarHBondContact O-OG 3.11Å; Y224-S227 VanDerWaalsContact O-OG 3.08Å; Y224-G228 PolarHBondContact O-N 3.02Å; Y224-A254 HydrophobicContact CD2-CB 3.88Å; Y224-A254 HydrophobicContact CE2-CB 3.68Å; Y224-A254 HydrophobicContact CG-CB 4.49Å
225	L	97	Very high	95.7	Very high	45 Å²	45	16.4 Å²	16.4	24%	0.236	10%	0.1	C	C	.	.	H	α-helix	trans	-70.1	-43.3	177.8	-65.7	172.9	0	0	0	111.7	F84 L184 F188 H221 F223 V229	F84-L225 HydrophobicContact CE1-CB 3.95Å; F84-L225 HydrophobicContact CZ-CB 4.16Å; L184-L225 HydrophobicContact CD1-CD2 4.05Å; F188-L225 HydrophobicContact CE2-CD2 3.95Å; F188-L225 HydrophobicContact CZ-CD2 3.8Å; H221-L225 WeakPolarHBondContact O-CB 3.47Å; H221-L225 WeakPolarHBondContact O-CD1 3.48Å; H221-L225 WeakPolarHBondContact O-CG 3.32Å; H221-L225 PolarHBondContact O-N 2.88Å; H221-L225 VanDerWaalsContact O-N 3.15Å; F223-L225 PolarHBondContact O-N 3.02Å; L225-V229 WeakPolarHBondContact O-CG2 3.3Å; L225-V229 PolarHBondContact O-N 3.26Å
226	T	97.2	Very high	95.9	Very high	20 Å²	20	15.8 Å²	15.8	12%	0.123	10%	0.096	C	C	.	.	H	α-helix	trans	-67.4	-47.6	179.6	-54.7	0	0	0	0	111.3	A222 F223 G228 V229 V230 F316	A222-T226 VanDerWaalsContact O-CB 3.22Å; A222-T226 WeakPolarHBondContact O-CB 3.32Å; A222-T226 PolarHBondContact O-N 2.93Å; A222-T226 PolarHBondContact O-OG1 2.89Å; F223-T226 PolarHBondContact O-N 3.31Å; T226-G228 VanDerWaalsContact C-N 3.33Å; T226-G228 PolarHBondContact O-N 3.48Å; T226-V229 PolarHBondContact O-N 3.14Å; T226-V229 VanDerWaalsContact O-N 3.14Å; T226-V230 HydrophobicContact CG2-CG2 4.21Å; T226-V230 WeakPolarHBondContact O-CG2 3.39Å; T226-V230 PolarHBondContact O-N 2.71Å; T226-F316 HydrophobicContact CG2-CE2 4.06Å; T226-F316 HydrophobicContact CG2-CZ 3.7Å
227	S	97.4	Very high	95.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.4	-39.4	178.5	56	0	0	0	0	113	F223 Y224 V229 V230 A231 A257 F316	F223-S227 VanDerWaalsContact O-CB 3.25Å; F223-S227 WeakPolarHBondContact O-CB 3.34Å; F223-S227 PolarHBondContact O-N 3.4Å; F223-S227 PolarHBondContact O-OG 3.21Å; Y224-S227 WeakPolarHBondContact CA-OG 3.2Å; Y224-S227 PolarHBondContact O-OG 3.11Å; Y224-S227 VanDerWaalsContact O-OG 3.08Å; S227-V229 VanDerWaalsContact C-N 3.34Å; S227-V229 PolarHBondContact O-N 3.07Å; S227-V230 PolarHBondContact O-N 3.03Å; S227-A231 VanDerWaalsContact O-CB 3.24Å; S227-A231 WeakPolarHBondContact O-CB 3.17Å; S227-A231 PolarHBondContact O-N 3.37Å; S227-A257 VanDerWaalsContact CB-CB 3.43Å; S227-F316 VanDerWaalsContact CB-CD1 3.47Å
228	G	97.4	Very high	95.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-35.7	175.6	0	0	0	0	0	114	Y224 T226 S232	Y224-G228 PolarHBondContact O-N 3.02Å; T226-G228 VanDerWaalsContact C-N 3.33Å; T226-G228 PolarHBondContact O-N 3.48Å; G228-S232 WeakPolarHBondContact O-CB 3.45Å; G228-S232 PolarHBondContact O-N 2.88Å; G228-S232 PolarHBondContact O-OG 2.88Å
229	V	97.4	Very high	95.6	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-78.7	-35.4	176.8	178	0	0	0	0	111.4	F80 T81 F84 M183 L184 L225 T226 S227 S232 L233	F80-V229 HydrophobicContact CD1-CG1 3.94Å; F80-V229 HydrophobicContact CE1-CG1 3.82Å; F80-V229 HydrophobicContact CE1-CG2 4.49Å; T81-V229 HydrophobicContact CG2-CG1 4.18Å; T81-V229 WeakPolarHBondContact OG1-CG1 3.11Å; F84-V229 HydrophobicContact CD1-CB 4.18Å; F84-V229 HydrophobicContact CD1-CG1 4.4Å; F84-V229 HydrophobicContact CD1-CG2 3.69Å; F84-V229 HydrophobicContact CE1-CG2 3.67Å; M183-V229 HydrophobicContact CB-CG1 4.23Å; M183-V229 HydrophobicContact CE-CG1 3.97Å; L184-V229 HydrophobicContact CB-CG2 4.08Å; L184-V229 HydrophobicContact CD1-CG2 4.05Å; L225-V229 WeakPolarHBondContact O-CG2 3.3Å; L225-V229 PolarHBondContact O-N 3.26Å; T226-V229 PolarHBondContact O-N 3.14Å; T226-V229 VanDerWaalsContact O-N 3.14Å; S227-V229 VanDerWaalsContact C-N 3.34Å; S227-V229 PolarHBondContact O-N 3.07Å; V229-S232 PolarHBondContact O-N 2.78Å; V229-L233 PolarHBondContact O-N 3.1Å
230	V	97.6	Very high	95.3	Very high	32 Å²	32	17.2 Å²	17.2	19%	0.194	10%	0.095	C	C	.	.	H	α-helix	trans	-64.8	-45.8	171.8	172	0	0	0	0	111.5	T81 T226 S227 S232 L233 A234 F316	T81-V230 HydrophobicContact CG2-CB 4.45Å; T81-V230 HydrophobicContact CG2-CG2 3.55Å; T226-V230 HydrophobicContact CG2-CG2 4.21Å; T226-V230 WeakPolarHBondContact O-CG2 3.39Å; T226-V230 PolarHBondContact O-N 2.71Å; S227-V230 PolarHBondContact O-N 3.03Å; V230-S232 VanDerWaalsContact C-N 3.32Å; V230-S232 PolarHBondContact O-N 2.9Å; V230-L233 WeakPolarHBondContact O-CB 3.43Å; V230-L233 PolarHBondContact O-N 3.5Å; V230-A234 PolarHBondContact O-N 2.98Å; V230-F316 HydrophobicContact CB-CD2 4.22Å; V230-F316 HydrophobicContact CB-CG 4.42Å; V230-F316 HydrophobicContact CG1-CB 3.98Å; V230-F316 HydrophobicContact CG1-CD2 3.97Å; V230-F316 HydrophobicContact CG1-CG 4.19Å; V230-F316 HydrophobicContact CG2-CD2 3.92Å; V230-F316 HydrophobicContact CG2-CE2 4.06Å
231	A	97.6	Very high	95	Very high	2 Å²	2	21.4 Å²	21.4	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-56.6	-46.4	171.6	0	0	0	0	0	111.3	S227 L233 A234 G235 A309	S227-A231 VanDerWaalsContact O-CB 3.24Å; S227-A231 WeakPolarHBondContact O-CB 3.17Å; S227-A231 PolarHBondContact O-N 3.37Å; A231-L233 VanDerWaalsContact C-N 3.31Å; A231-L233 PolarHBondContact O-N 2.81Å; A231-A234 PolarHBondContact O-N 2.89Å; A231-G235 PolarHBondContact O-N 3.44Å; A231-A309 HydrophobicContact CB-CB 4.38Å; A231-A309 VanDerWaalsContact CB-O 3.22Å; A231-A309 WeakPolarHBondContact CB-O 3.45Å; A231-A309 VanDerWaalsContact O-CA 3.23Å; A231-A309 WeakPolarHBondContact O-CA 3.16Å; A231-A309 VanDerWaalsContact O-CB 3.25Å; A231-A309 WeakPolarHBondContact O-CB 3.37Å
232	S	96.4	Very high	94.6	Very high	10 Å²	10	21.9 Å²	21.9	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-33.6	177.3	-63.6	0	0	0	0	113	M183 G228 V229 V230 L236	M183-S232 WeakPolarHBondContact O-CB 3.23Å; M183-S232 PolarHBondContact O-OG 3.07Å; G228-S232 WeakPolarHBondContact O-CB 3.45Å; G228-S232 PolarHBondContact O-N 2.88Å; G228-S232 PolarHBondContact O-OG 2.88Å; V229-S232 PolarHBondContact O-N 2.78Å; V230-S232 VanDerWaalsContact C-N 3.32Å; V230-S232 PolarHBondContact O-N 2.9Å; S232-L236 WeakPolarHBondContact O-CB 3.26Å; S232-L236 VanDerWaalsContact O-CG 3.27Å; S232-L236 WeakPolarHBondContact O-CG 3.44Å; S232-L236 PolarHBondContact O-N 3.32Å
233	L	96.1	Very high	93.9	Very high	24 Å²	24	24.3 Å²	24.3	13%	0.126	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-45.6	172.7	177.9	63.9	0	0	0	111.8	P77 L78 T81 M183 V229 V230 A231 L236 T237	P77-L233 HydrophobicContact CB-CD1 3.86Å; P77-L233 HydrophobicContact CG-CD1 4.11Å; L78-L233 HydrophobicContact CB-CD1 4.41Å; L78-L233 HydrophobicContact CD1-CD2 3.86Å; T81-L233 HydrophobicContact CG2-CD2 4.2Å; M183-L233 HydrophobicContact CE-CB 3.71Å; M183-L233 HydrophobicContact CE-CD1 4.24Å; V229-L233 PolarHBondContact O-N 3.1Å; V230-L233 WeakPolarHBondContact O-CB 3.43Å; V230-L233 PolarHBondContact O-N 3.5Å; A231-L233 VanDerWaalsContact C-N 3.31Å; A231-L233 PolarHBondContact O-N 2.81Å; L233-L236 PolarHBondContact O-N 2.9Å; L233-T237 VanDerWaalsContact O-CB 3.31Å; L233-T237 WeakPolarHBondContact O-CB 3.14Å; L233-T237 PolarHBondContact O-N 3.18Å; L233-T237 PolarHBondContact O-OG1 2.94Å
234	A	95.8	Very high	93.1	Very high	29 Å²	29	25.6 Å²	25.6	24%	0.24	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-45.5	177.4	0	0	0	0	0	111.8	V230 A231 T237 Y238 A308	V230-A234 PolarHBondContact O-N 2.98Å; A231-A234 PolarHBondContact O-N 2.89Å; A234-T237 PolarHBondContact O-N 2.87Å; A234-Y238 PolarHBondContact O-N 3.14Å; A234-A308 VanDerWaalsContact CB-O 3.23Å; A234-A308 WeakPolarHBondContact CB-O 3.4Å
235	G	93.8	Very high	92	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-48.6	173.6	0	0	0	0	0	113.2	A231 T237 K239	A231-G235 PolarHBondContact O-N 3.44Å; G235-T237 VanDerWaalsContact C-N 3.35Å; G235-T237 PolarHBondContact O-N 3.39Å; G235-K239 WeakPolarHBondContact O-CB 3.37Å; G235-K239 WeakPolarHBondContact O-CD 3.41Å; G235-K239 VanDerWaalsContact O-CG 3.3Å; G235-K239 WeakPolarHBondContact O-CG 3.38Å; G235-K239 PolarHBondContact O-N 3.37Å; G235-K239 VanDerWaalsContact O-N 3.08Å
236	L	93	Very high	91.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-40.4	176.1	-77.9	173.6	0	0	0	112.6	P77 F174 L179 M183 S232 L233 K239 A240	P77-L236 HydrophobicContact CB-CD1 4.23Å; F174-L236 HydrophobicContact CB-CD2 4.21Å; L179-L236 HydrophobicContact CD1-CD1 4.12Å; L179-L236 HydrophobicContact CD1-CD2 4.23Å; M183-L236 HydrophobicContact CE-CD1 4.35Å; M183-L236 HydrophobicContact CG-CD1 3.59Å; M183-L236 HydrophobicContact SD-CD1 3.95Å; S232-L236 WeakPolarHBondContact O-CB 3.26Å; S232-L236 VanDerWaalsContact O-CG 3.27Å; S232-L236 WeakPolarHBondContact O-CG 3.44Å; S232-L236 PolarHBondContact O-N 3.32Å; L233-L236 PolarHBondContact O-N 2.9Å; L236-K239 PolarHBondContact O-N 2.84Å; L236-A240 WeakPolarHBondContact O-CB 3.3Å; L236-A240 PolarHBondContact O-N 3.5Å
237	T	92.8	Very high	90.7	Very high	46 Å²	46	30.8 Å²	30.8	28%	0.282	18%	0.184	S	C	.	.	H	α-helix	trans	-64.7	-49.5	-179.4	-59.9	0	0	0	0	111	L74 L233 A234 G235 K239 A240 L241	L74-T237 HydrophobicContact CD1-CG2 4.17Å; L233-T237 VanDerWaalsContact O-CB 3.31Å; L233-T237 WeakPolarHBondContact O-CB 3.14Å; L233-T237 PolarHBondContact O-N 3.18Å; L233-T237 PolarHBondContact O-OG1 2.94Å; A234-T237 PolarHBondContact O-N 2.87Å; G235-T237 VanDerWaalsContact C-N 3.35Å; G235-T237 PolarHBondContact O-N 3.39Å; T237-K239 VanDerWaalsContact C-N 3.33Å; T237-K239 PolarHBondContact O-N 3.22Å; T237-A240 PolarHBondContact O-N 2.92Å; T237-L241 HydrophobicContact CG2-CD1 4.08Å; T237-L241 VanDerWaalsContact O-CG 3.31Å; T237-L241 WeakPolarHBondContact O-CG 3.16Å; T237-L241 PolarHBondContact O-N 3.01Å
238	Y	92	Very high	90.4	Very high	66 Å²	66	31.6 Å²	31.6	26%	0.259	19%	0.189	S	C	.	.	H	α-helix	trans	-60.4	-40.5	176	-179.9	-107.4	0	0	0	112.5	A234 L241 I242 L298 A308	A234-Y238 PolarHBondContact O-N 3.14Å; Y238-L241 PolarHBondContact O-N 2.85Å; Y238-I242 HydrophobicContact CD1-CD1 4.38Å; Y238-I242 HydrophobicContact CD2-CD1 4.15Å; Y238-I242 HydrophobicContact CE1-CD1 3.76Å; Y238-I242 HydrophobicContact CE2-CD1 3.49Å; Y238-I242 VanDerWaalsContact CE2-CD1 3.49Å; Y238-I242 HydrophobicContact CE2-CG1 4.44Å; Y238-I242 PolarHBondContact O-N 3.21Å; Y238-I242 WeakPolarHBondContact OH-CD1 3.34Å; Y238-L298 HydrophobicContact CD1-CD2 3.94Å; Y238-L298 HydrophobicContact CD2-CD2 3.94Å; Y238-L298 HydrophobicContact CE1-CD2 3.55Å; Y238-L298 HydrophobicContact CE2-CB 4.47Å; Y238-L298 HydrophobicContact CE2-CD2 3.54Å; Y238-L298 HydrophobicContact CG-CD2 4.12Å; Y238-L298 PolarHBondContact OH-O 2.91Å; Y238-L298 VanDerWaalsContact OH-O 3.08Å; Y238-A308 HydrophobicContact CD1-CB 3.73Å; Y238-A308 HydrophobicContact CD2-CB 4.44Å; Y238-A308 HydrophobicContact CG-CB 3.62Å
239	K	89.4	Confident	90.2	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.052	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-42	176.1	-75.5	161.8	176.6	154.7	0	112.7	G235 L236 T237 I242 G243 S244 K246 S248 D306	G235-K239 WeakPolarHBondContact O-CB 3.37Å; G235-K239 WeakPolarHBondContact O-CD 3.41Å; G235-K239 VanDerWaalsContact O-CG 3.3Å; G235-K239 WeakPolarHBondContact O-CG 3.38Å; G235-K239 PolarHBondContact O-N 3.37Å; G235-K239 VanDerWaalsContact O-N 3.08Å; L236-K239 PolarHBondContact O-N 2.84Å; T237-K239 VanDerWaalsContact C-N 3.33Å; T237-K239 PolarHBondContact O-N 3.22Å; K239-I242 PolarHBondContact O-N 3.43Å; K239-G243 PolarHBondContact O-N 2.65Å; K239-S244 PolarHBondContact O-N 2.93Å; K239-K246 VanDerWaalsContact CD-O 3.3Å; K239-K246 WeakPolarHBondContact CD-O 3.06Å; K239-K246 WeakPolarHBondContact CE-O 3.3Å; K239-S248 PolarHBondContact NZ-OG 3.24Å; K239-D306 WeakPolarHBondContact CE-OD1 3.09Å; K239-D306 IonicContact NZ-OD1 2.67Å; K239-D306 PolarHBondContact NZ-OD1 2.72Å; K239-D306 VanDerWaalsContact NZ-OD1 3.11Å; K239-D306 IonicContact NZ-OD2 3.11Å; K239-D306 PolarHBondContact NZ-OD2 3.24Å
240	A	89.8	Confident	90	Very high	7 Å²	7	33.1 Å²	33.1	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-42.9	175.3	0	0	0	0	0	112	L74 F174 L236 T237 I242 G243	L74-A240 HydrophobicContact CD1-CB 3.94Å; L74-A240 HydrophobicContact CD2-CB 4.08Å; L74-A240 HydrophobicContact CG-CB 4.22Å; F174-A240 HydrophobicContact CD1-CB 3.85Å; F174-A240 HydrophobicContact CD2-CB 3.68Å; F174-A240 HydrophobicContact CE1-CB 3.87Å; F174-A240 HydrophobicContact CE2-CB 3.72Å; F174-A240 HydrophobicContact CG-CB 3.75Å; F174-A240 HydrophobicContact CZ-CB 3.82Å; L236-A240 WeakPolarHBondContact O-CB 3.3Å; L236-A240 PolarHBondContact O-N 3.5Å; T237-A240 PolarHBondContact O-N 2.92Å; A240-I242 PolarHBondContact O-N 2.79Å; A240-G243 PolarHBondContact O-N 3.42Å
241	L	89.2	Confident	89.9	Confident	88 Å²	88	31.6 Å²	31.6	46%	0.461	19%	0.192	S	C	.	.	H	α-helix	trans	-65.5	-34.6	178.1	-70.9	170	0	0	0	113.2	T237 Y238 F968	T237-L241 HydrophobicContact CG2-CD1 4.08Å; T237-L241 VanDerWaalsContact O-CG 3.31Å; T237-L241 WeakPolarHBondContact O-CG 3.16Å; T237-L241 PolarHBondContact O-N 3.01Å; Y238-L241 PolarHBondContact O-N 2.85Å; L241-F968 HydrophobicContact CD2-CD2 3.97Å; L241-F968 HydrophobicContact CD2-CE2 4.04Å
242	I	86.1	Confident	89.8	Confident	64 Å²	64	32.3 Å²	32.3	33%	0.328	20%	0.196	S	C	.	.	H	α-helix	trans	-87.7	-11.2	177.2	-70.4	-174.4	0	0	0	112.7	Y238 K239 A240 S244	Y238-I242 HydrophobicContact CD1-CD1 4.38Å; Y238-I242 HydrophobicContact CD2-CD1 4.15Å; Y238-I242 HydrophobicContact CE1-CD1 3.76Å; Y238-I242 HydrophobicContact CE2-CD1 3.49Å; Y238-I242 VanDerWaalsContact CE2-CD1 3.49Å; Y238-I242 HydrophobicContact CE2-CG1 4.44Å; Y238-I242 PolarHBondContact O-N 3.21Å; Y238-I242 WeakPolarHBondContact OH-CD1 3.34Å; K239-I242 PolarHBondContact O-N 3.43Å; A240-I242 PolarHBondContact O-N 2.79Å; I242-S244 VanDerWaalsContact C-N 3.29Å
243	G	80.9	Confident	89.8	Confident	58 Å²	58	32 Å²	32	60%	0.598	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	31.5	-171	0	0	0	0	0	112.7	K239 A240 P245	K239-G243 PolarHBondContact O-N 2.65Å; A240-G243 PolarHBondContact O-N 3.42Å; G243-P245 WeakPolarHBondContact O-CD 3.23Å
244	S	80.4	Confident	89.8	Confident	28 Å²	28	30.9 Å²	30.9	20%	0.196	19%	0.19	C	C	.	.			trans	-84	118.9	-175.1	-173.6	0	0	0	0	111.4	K239 I242 K246	K239-S244 PolarHBondContact O-N 2.93Å; I242-S244 VanDerWaalsContact C-N 3.29Å; S244-K246 PolarHBondContact O-N 2.69Å
245	P	75.2	Confident	89.9	Confident	62 Å²	62	29.8 Å²	29.8	40%	0.403	18%	0.18	S	C	.	.			trans	-72.8	-6.7	179.6	30.1	-36.4	0	0	0	113.9	S173 G243 A247	S173-P245 PolarHBondContact OG-O 3.08Å; G243-P245 WeakPolarHBondContact O-CD 3.23Å; P245-A247 PolarHBondContact O-N 2.92Å
246	K	80.9	Confident	90	Very high	101 Å²	101	31.2 Å²	31.2	44%	0.439	19%	0.187	S	C	.	.			trans	-70.5	123.4	-169.8	-66.5	-169.1	176.6	-167.5	0	112.5	K239 S244	K239-K246 VanDerWaalsContact CD-O 3.3Å; K239-K246 WeakPolarHBondContact CD-O 3.06Å; K239-K246 WeakPolarHBondContact CE-O 3.3Å; S244-K246 PolarHBondContact O-N 2.69Å
247	A	86.6	Confident	90.2	Very high	14 Å²	14	31.2 Å²	31.2	12%	0.116	19%	0.187	C	C	.	.			trans	-72	158.6	170.1	0	0	0	0	0	112.8	M171 S172 P245	M171-A247 HydrophobicContact CB-CB 4.18Å; M171-A247 HydrophobicContact CE-CB 3.54Å; S172-A247 CarbonylContact O-C 3.54Å; S172-A247 WeakPolarHBondContact O-CA 3.36Å; P245-A247 PolarHBondContact O-N 2.92Å
248	S	90.8	Very high	90.3	Very high	17 Å²	17	29 Å²	29	12%	0.119	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-124.9	158.9	162.5	49.6	0	0	0	0	113.2	S172 K239 D306	S172-S248 PolarHBondContact N-O 3.16Å; S172-S248 PolarHBondContact O-N 2.87Å; K239-S248 PolarHBondContact NZ-OG 3.24Å; S248-D306 WeakPolarHBondContact CB-OD2 3.48Å; S248-D306 PolarHBondContact OG-OD2 2.94Å
249	V	92.3	Very high	90.4	Very high	22 Å²	22	27 Å²	27	13%	0.133	17%	0.167	C	C	.	.			trans	-146.2	156.1	175.7	-59.2	0	0	0	0	107.9	F170 M171 S189 I191 H195	F170-V249 VanDerWaalsContact O-CG1 3.3Å; F170-V249 WeakPolarHBondContact O-CG1 3.24Å; M171-V249 HydrophobicContact CB-CG1 4.36Å; M171-V249 HydrophobicContact CG-CG1 3.8Å; S189-V249 WeakPolarHBondContact O-CB 3.34Å; I191-V249 HydrophobicContact CD1-CG1 4.06Å; I191-V249 HydrophobicContact CD1-CG2 3.9Å; I191-V249 HydrophobicContact CG1-CG2 4.11Å; H195-V249 PolarHBondContact CE1-O 2.82Å
250	G	93.2	Very high	90.7	Very high	12 Å²	12	26.4 Å²	26.4	12%	0.124	16%	0.164	C	C	.	.			trans	121.6	147.4	168.5	0	0	0	0	0	114.7	S186 V187 S189 S252	S186-G250 PolarHBondContact O-N 3.16Å; V187-G250 CarbonylContact O-C 3.54Å; S189-G250 VanDerWaalsContact O-CA 3.28Å; S189-G250 WeakPolarHBondContact O-CA 3.36Å; S189-G250 PolarHBondContact O-N 2.85Å; G250-S252 PolarHBondContact O-N 3Å
251	A	95.4	Very high	91	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.8	176.9	0	0	0	0	0	114.7	V187 H190 M200 G253 A254 I255	V187-A251 HydrophobicContact CG1-CB 4.49Å; V187-A251 WeakPolarHBondContact O-CA 3.38Å; V187-A251 VanDerWaalsContact O-CB 3.28Å; V187-A251 WeakPolarHBondContact O-CB 3.29Å; V187-A251 PolarHBondContact O-N 3.24Å; H190-A251 PolarHBondContact NE2-N 3.21Å; M200-A251 HydrophobicContact CE-CB 4.2Å; A251-G253 VanDerWaalsContact C-N 3.31Å; A251-G253 PolarHBondContact O-N 3.23Å; A251-A254 PolarHBondContact O-N 2.79Å; A251-I255 HydrophobicContact CB-CD1 3.57Å; A251-I255 HydrophobicContact CB-CG1 4.21Å; A251-I255 WeakPolarHBondContact O-CG1 3.09Å; A251-I255 PolarHBondContact O-N 2.89Å
252	S	95.6	Very high	91.1	Very high	17 Å²	17	22.3 Å²	22.3	12%	0.119	14%	0.142	C	C	.	.	H	α-helix	trans	-58.8	-34.2	-166.3	35.1	0	0	0	0	114.2	N199 G250 I255 L256 H310	N199-S252 WeakPolarHBondContact OD1-CB 3.47Å; G250-S252 PolarHBondContact O-N 3Å; S252-I255 PolarHBondContact O-N 3.05Å; S252-L256 WeakPolarHBondContact O-CB 3.14Å; S252-L256 VanDerWaalsContact O-CG 3.27Å; S252-L256 WeakPolarHBondContact O-CG 3.13Å; S252-L256 PolarHBondContact O-N 3.41Å; S252-H310 VanDerWaalsContact CB-NE2 3.29Å; S252-H310 WeakPolarHBondContact CB-NE2 3.34Å; S252-H310 PolarHBondContact OG-NE2 3.03Å
253	G	96	Very high	91.4	Very high	4 Å²	4	19.4 Å²	19.4	4%	0.041	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-42.9	173.9	0	0	0	0	0	113.8	A251 L256 A257 G313	A251-G253 VanDerWaalsContact C-N 3.31Å; A251-G253 PolarHBondContact O-N 3.23Å; G253-L256 PolarHBondContact O-N 3.44Å; G253-A257 PolarHBondContact O-N 2.93Å; G253-A257 VanDerWaalsContact O-N 3.07Å; G253-G313 WeakPolarHBondContact O-CA 3.34Å
254	A	97.4	Very high	92	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-70.4	-35	175.5	0	0	0	0	0	112	V187 Y224 A251 A257 L258	V187-A254 HydrophobicContact CG1-CB 4.05Å; Y224-A254 HydrophobicContact CD2-CB 3.88Å; Y224-A254 HydrophobicContact CE2-CB 3.68Å; Y224-A254 HydrophobicContact CG-CB 4.49Å; A251-A254 PolarHBondContact O-N 2.79Å; A254-A257 PolarHBondContact O-N 3.33Å; A254-L258 WeakPolarHBondContact O-CB 3.43Å; A254-L258 PolarHBondContact O-N 3.36Å
255	I	97.1	Very high	92.6	Very high	6 Å²	6	20 Å²	20	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-68	-38.5	176.1	-66.7	162.2	0	0	0	111.2	N199 V202 L203 A251 S252 L258 L259	N199-I255 HydrophobicContact CB-CD1 3.63Å; N199-I255 VanDerWaalsContact O-CD1 3.27Å; N199-I255 WeakPolarHBondContact O-CD1 3.33Å; V202-I255 HydrophobicContact CB-CG2 3.96Å; V202-I255 HydrophobicContact CG1-CG2 3.47Å; V202-I255 VanDerWaalsContact CG1-CG2 3.47Å; L203-I255 HydrophobicContact CB-CD1 4.35Å; L203-I255 HydrophobicContact CB-CG1 4.34Å; L203-I255 HydrophobicContact CD1-CG1 4.2Å; A251-I255 HydrophobicContact CB-CD1 3.57Å; A251-I255 HydrophobicContact CB-CG1 4.21Å; A251-I255 WeakPolarHBondContact O-CG1 3.09Å; A251-I255 PolarHBondContact O-N 2.89Å; S252-I255 PolarHBondContact O-N 3.05Å; I255-L258 WeakPolarHBondContact O-CB 3.14Å; I255-L258 PolarHBondContact O-N 3.09Å; I255-L259 WeakPolarHBondContact O-CB 3.25Å; I255-L259 PolarHBondContact O-N 3.16Å
256	L	95.7	Very high	93.2	Very high	30 Å²	30	20 Å²	20	16%	0.157	11%	0.11	C	C	.	.	H	α-helix	trans	-70.6	-37.3	175.4	-73.7	170	0	0	0	112.1	S252 G253 L258 L259 M260 V290 H310	S252-L256 WeakPolarHBondContact O-CB 3.14Å; S252-L256 VanDerWaalsContact O-CG 3.27Å; S252-L256 WeakPolarHBondContact O-CG 3.13Å; S252-L256 PolarHBondContact O-N 3.41Å; G253-L256 PolarHBondContact O-N 3.44Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 2.75Å; L256-L259 HydrophobicContact CD2-CD2 4.29Å; L256-L259 PolarHBondContact O-N 3.15Å; L256-M260 VanDerWaalsContact O-CG 3.32Å; L256-M260 WeakPolarHBondContact O-CG 3.3Å; L256-M260 PolarHBondContact O-N 2.61Å; L256-V290 HydrophobicContact CD2-CG1 3.98Å; L256-H310 HydrophobicContact CD1-CB 3.44Å; L256-H310 VanDerWaalsContact CD1-CB 3.44Å
257	A	97.5	Very high	93.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57.5	-46.5	169.1	0	0	0	0	0	111.5	F223 S227 G253 A254 M260 Y261 G313 F316 G317	F223-A257 HydrophobicContact CE1-CB 4.37Å; F223-A257 HydrophobicContact CZ-CB 3.9Å; S227-A257 VanDerWaalsContact CB-CB 3.43Å; G253-A257 PolarHBondContact O-N 2.93Å; G253-A257 VanDerWaalsContact O-N 3.07Å; A254-A257 PolarHBondContact O-N 3.33Å; A257-M260 PolarHBondContact O-N 2.69Å; A257-Y261 WeakPolarHBondContact O-CB 3.34Å; A257-Y261 PolarHBondContact O-N 2.67Å; A257-G313 WeakPolarHBondContact CA-O 3.37Å; A257-G313 WeakPolarHBondContact CB-O 3.32Å; A257-F316 HydrophobicContact CB-CD1 4.45Å; A257-G317 VanDerWaalsContact O-CA 3.27Å; A257-G317 WeakPolarHBondContact O-CA 3.32Å
258	L	95.9	Very high	93.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-44.1	176.2	178.1	141	0	0	0	112.3	F206 A207 L210 F220 F223 A254 I255 L256 Y261 T262	F206-L258 HydrophobicContact CB-CD2 3.46Å; F206-L258 VanDerWaalsContact CB-CD2 3.46Å; A207-L258 HydrophobicContact CB-CD1 3.93Å; L210-L258 HydrophobicContact CD2-CD1 3.94Å; L210-L258 HydrophobicContact CD2-CG 4.12Å; F220-L258 HydrophobicContact CD2-CD1 4.35Å; F220-L258 HydrophobicContact CE2-CD1 3.56Å; F220-L258 HydrophobicContact CZ-CD1 4.39Å; F223-L258 HydrophobicContact CE1-CB 4.07Å; A254-L258 WeakPolarHBondContact O-CB 3.43Å; A254-L258 PolarHBondContact O-N 3.36Å; I255-L258 WeakPolarHBondContact O-CB 3.14Å; I255-L258 PolarHBondContact O-N 3.09Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 2.75Å; L258-Y261 PolarHBondContact O-N 2.96Å; L258-T262 PolarHBondContact O-N 3.03Å; L258-T262 PolarHBondContact O-OG1 2.7Å
259	L	94	Very high	93.1	Very high	23 Å²	23	24.7 Å²	24.7	12%	0.12	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-50	176.4	-177.9	63.4	0	0	0	111	F206 I255 L256 Y261 T262 C263	F206-L259 HydrophobicContact CD1-CD1 4.34Å; F206-L259 HydrophobicContact CD2-CD1 4.06Å; F206-L259 HydrophobicContact CE1-CD1 4.01Å; F206-L259 HydrophobicContact CE2-CD1 3.73Å; F206-L259 HydrophobicContact CG-CD1 4.36Å; F206-L259 HydrophobicContact CZ-CD1 3.71Å; I255-L259 WeakPolarHBondContact O-CB 3.25Å; I255-L259 PolarHBondContact O-N 3.16Å; L256-L259 HydrophobicContact CD2-CD2 4.29Å; L256-L259 PolarHBondContact O-N 3.15Å; L259-Y261 PolarHBondContact O-N 3.26Å; L259-T262 PolarHBondContact O-N 3.43Å; L259-C263 WeakPolarHBondContact O-CB 3.28Å; L259-C263 PolarHBondContact O-N 2.58Å; L259-C263 PolarHBondContact O-SG 3.42Å
260	M	94.6	Very high	92.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-41.9	179.1	-66.1	-59.1	92.5	0	0	112.4	L256 A257 T262 C263 C264 V287 V290 I291 V318	L256-M260 VanDerWaalsContact O-CG 3.32Å; L256-M260 WeakPolarHBondContact O-CG 3.3Å; L256-M260 PolarHBondContact O-N 2.61Å; A257-M260 PolarHBondContact O-N 2.69Å; M260-T262 PolarHBondContact O-N 3.02Å; M260-C263 PolarHBondContact O-N 3.02Å; M260-C264 WeakPolarHBondContact O-CB 3.08Å; M260-C264 PolarHBondContact O-N 3.1Å; M260-C264 PolarHBondContact O-SG 2.59Å; M260-C264 VanDerWaalsContact O-SG 3.34Å; M260-V287 HydrophobicContact CE-CG2 4.37Å; M260-V287 HydrophobicContact SD-CB 4.06Å; M260-V287 HydrophobicContact SD-CG1 3.97Å; M260-V287 HydrophobicContact SD-CG2 3.9Å; M260-V290 HydrophobicContact CE-CB 4Å; M260-V290 HydrophobicContact CE-CG1 4.08Å; M260-V290 HydrophobicContact CE-CG2 4.09Å; M260-V290 HydrophobicContact SD-CB 4.43Å; M260-V290 HydrophobicContact SD-CG1 4.39Å; M260-I291 HydrophobicContact SD-CD1 4.48Å; M260-I291 HydrophobicContact SD-CG1 4.44Å; M260-V318 HydrophobicContact CB-CG2 4Å; M260-V318 HydrophobicContact CG-CG2 4.41Å
261	Y	95.3	Very high	91.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-46.2	174.7	178.7	-101.2	0	0	0	111.4	L210 T215 F223 A257 L258 L259 C263 C264 K265 Y320 A321	L210-Y261 HydrophobicContact CD1-CD1 3.5Å; L210-Y261 VanDerWaalsContact CD1-CD1 3.5Å; L210-Y261 HydrophobicContact CD1-CE1 3.71Å; L210-Y261 HydrophobicContact CD2-CD1 3.82Å; L210-Y261 HydrophobicContact CD2-CE1 4.12Å; L210-Y261 HydrophobicContact CG-CD1 4.15Å; L210-Y261 HydrophobicContact CG-CE1 4.18Å; T215-Y261 HydrophobicContact CG2-CE1 3.65Å; F223-Y261 HydrophobicContact CZ-CG 4.41Å; A257-Y261 WeakPolarHBondContact O-CB 3.34Å; A257-Y261 PolarHBondContact O-N 2.67Å; L258-Y261 PolarHBondContact O-N 2.96Å; L259-Y261 PolarHBondContact O-N 3.26Å; Y261-C263 PolarHBondContact O-N 3.26Å; Y261-C264 PolarHBondContact O-N 3.44Å; Y261-K265 HydrophobicContact CE1-CG 4.17Å; Y261-K265 HydrophobicContact CE2-CG 4.23Å; Y261-K265 WeakPolarHBondContact O-CG 3.35Å; Y261-K265 PolarHBondContact O-N 3.25Å; Y261-K265 WeakPolarHBondContact OH-CE 3.35Å; Y261-Y320 AromaticContact CD2-CD1 3.7Å; Y261-Y320 HydrophobicContact CD2-CD1 3.7Å; Y261-Y320 AromaticContact CE2-CD1 3.51Å; Y261-Y320 HydrophobicContact CE2-CD1 3.51Å; Y261-Y320 HydrophobicContact CE2-CE1 4.12Å; Y261-A321 HydrophobicContact CD2-CB 3.74Å; Y261-A321 HydrophobicContact CE2-CB 4.18Å
262	T	92.8	Very high	91.1	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-45.3	174.7	-52.9	0	0	0	0	111.7	F206 L209 L210 L258 L259 M260 C264 K265 I266	F206-T262 HydrophobicContact CD1-CG2 4.34Å; L209-T262 HydrophobicContact CD2-CG2 4.3Å; L210-T262 VanDerWaalsContact CD1-OG1 3.3Å; L210-T262 WeakPolarHBondContact CD1-OG1 3.47Å; L258-T262 PolarHBondContact O-N 3.03Å; L258-T262 PolarHBondContact O-OG1 2.7Å; L259-T262 PolarHBondContact O-N 3.43Å; M260-T262 PolarHBondContact O-N 3.02Å; T262-C264 VanDerWaalsContact C-N 3.35Å; T262-C264 PolarHBondContact O-N 2.82Å; T262-K265 PolarHBondContact O-N 2.88Å; T262-I266 HydrophobicContact CG2-CD1 4.49Å; T262-I266 PolarHBondContact O-N 2.94Å
263	C	92.5	Very high	90	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-35.6	179.7	-67.1	0	0	0	0	113	L259 M260 Y261 I266 P267 A283 V287	L259-C263 WeakPolarHBondContact O-CB 3.28Å; L259-C263 PolarHBondContact O-N 2.58Å; L259-C263 PolarHBondContact O-SG 3.42Å; M260-C263 PolarHBondContact O-N 3.02Å; Y261-C263 PolarHBondContact O-N 3.26Å; C263-I266 CarbonylContact O-C 3.44Å; C263-P267 VanDerWaalsContact O-CA 3.28Å; C263-P267 WeakPolarHBondContact O-CA 3.45Å; C263-A283 HydrophobicContact CB-CB 3.94Å; C263-V287 HydrophobicContact CB-CG2 3.61Å
264	C	93.1	Very high	88.6	Confident	36 Å²	36	42.4 Å²	42.4	24%	0.243	23%	0.225	C	C	.	.	H	α-helix	trans	-73.5	-27.3	174.3	-70.1	0	0	0	0	113	M260 Y261 T262 A321	M260-C264 WeakPolarHBondContact O-CB 3.08Å; M260-C264 PolarHBondContact O-N 3.1Å; M260-C264 PolarHBondContact O-SG 2.59Å; M260-C264 VanDerWaalsContact O-SG 3.34Å; Y261-C264 PolarHBondContact O-N 3.44Å; T262-C264 VanDerWaalsContact C-N 3.35Å; T262-C264 PolarHBondContact O-N 2.82Å; C264-A321 HydrophobicContact CB-CB 3.43Å; C264-A321 VanDerWaalsContact CB-CB 3.43Å
265	K	91.8	Very high	86.9	Confident	63 Å²	63	50.7 Å²	50.7	27%	0.274	26%	0.261	S	S	.	.	H	α-helix	trans	-83.6	-29.4	175.2	-69.4	-51.3	-164.4	-172.8	0	113.8	L214 Y261 T262 A321 E325	L214-K265 HydrophobicContact CD1-CB 3.98Å; L214-K265 HydrophobicContact CD1-CG 4.46Å; L214-K265 HydrophobicContact CD2-CB 4.37Å; Y261-K265 HydrophobicContact CE1-CG 4.17Å; Y261-K265 HydrophobicContact CE2-CG 4.23Å; Y261-K265 WeakPolarHBondContact O-CG 3.35Å; Y261-K265 PolarHBondContact O-N 3.25Å; Y261-K265 WeakPolarHBondContact OH-CE 3.35Å; T262-K265 PolarHBondContact O-N 2.88Å; K265-A321 PolarHBondContact NZ-O 3.47Å; K265-E325 WeakPolarHBondContact CE-OE2 3.4Å; K265-E325 IonicContact NZ-OE2 3.98Å; K265-E325 PolarHBondContact NZ-OE2 3.36Å
266	I	89.4	Confident	85.7	Confident	61 Å²	61	54.5 Å²	54.5	31%	0.313	28%	0.281	S	S	.	.	S	Bend	trans	-128.6	65.5	-179.6	-38.9	178.7	0	0	0	109.9	L209 L214 T262 C263 N268 A269 A283	L209-I266 HydrophobicContact CD2-CD1 4.18Å; L214-I266 HydrophobicContact CD1-CD1 4.18Å; L214-I266 HydrophobicContact CD1-CG1 4.34Å; T262-I266 HydrophobicContact CG2-CD1 4.49Å; T262-I266 PolarHBondContact O-N 2.94Å; C263-I266 CarbonylContact O-C 3.44Å; I266-N268 PolarHBondContact O-N 2.91Å; I266-A269 HydrophobicContact CB-CB 4.27Å; I266-A269 HydrophobicContact CG2-CB 3.81Å; I266-A269 WeakPolarHBondContact O-CB 3.36Å; I266-A269 PolarHBondContact O-N 2.85Å; I266-A269 VanDerWaalsContact O-N 3.09Å; I266-A283 WeakPolarHBondContact O-CB 3.49Å
267	P	86.7	Confident	84.4	Confident	51 Å²	51	56.3 Å²	56.3	33%	0.331	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.9	-170.6	25.8	-35.7	0	0	0	114.1	C263 A283 H284	C263-P267 VanDerWaalsContact O-CA 3.28Å; C263-P267 WeakPolarHBondContact O-CA 3.45Å; P267-A283 PolarHBondContact O-N 3.35Å; P267-H284 HydrophobicContact CB-CB 4.28Å; P267-H284 PolarHBondContact O-N 3.15Å; P267-H284 VanDerWaalsContact O-N 3.11Å
268	N	84.8	Confident	83.3	Confident	146 Å²	146	66.5 Å²	66.5	78%	0.781	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.1	-179.6	-62.2	-6.9	0	0	0	113.3	I266 E270	I266-N268 PolarHBondContact O-N 2.91Å; N268-E270 PolarHBondContact O-N 3.09Å
269	A	83.4	Confident	82.3	Confident	33 Å²	33	68.8 Å²	68.8	27%	0.273	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-65.8	128	175.5	0	0	0	0	0	110.6	I266 L271 A283	I266-A269 HydrophobicContact CB-CB 4.27Å; I266-A269 HydrophobicContact CG2-CB 3.81Å; I266-A269 WeakPolarHBondContact O-CB 3.36Å; I266-A269 PolarHBondContact O-N 2.85Å; I266-A269 VanDerWaalsContact O-N 3.09Å; A269-L271 PolarHBondContact O-N 3.1Å; A269-A283 HydrophobicContact CB-CB 4.27Å; A269-A283 WeakPolarHBondContact O-CB 3.44Å; A269-A283 PolarHBondContact O-N 2.97Å
270	E	82.8	Confident	81.7	Confident	128 Å²	128	70.5 Å²	70.5	60%	0.598	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.7	168.8	-72.2	-163.3	-165	0	0	110.3	N268 T280	N268-E270 PolarHBondContact O-N 3.09Å; E270-T280 HydrophobicContact CB-CG2 4.28Å; E270-T280 WeakPolarHBondContact OE2-CB 3.38Å; E270-T280 VanDerWaalsContact OE2-CG2 3.27Å; E270-T280 WeakPolarHBondContact OE2-CG2 3.27Å; E270-T280 PolarHBondContact OE2-OG1 3.31Å
271	L	78.6	Confident	81.1	Confident	23 Å²	23	73.3 Å²	73.3	12%	0.12	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.2	174.7	-59.9	-179.1	0	0	0	109.6	F206 A269 T280 F281 A283 A286	F206-L271 HydrophobicContact CE1-CD2 3.82Å; F206-L271 HydrophobicContact CZ-CD2 4Å; A269-L271 PolarHBondContact O-N 3.1Å; L271-T280 VanDerWaalsContact O-CA 3.32Å; L271-T280 WeakPolarHBondContact O-CA 3.43Å; L271-F281 HydrophobicContact CB-CD1 4.22Å; L271-F281 HydrophobicContact CB-CE1 3.78Å; L271-F281 HydrophobicContact CB-CE2 4.41Å; L271-F281 HydrophobicContact CB-CZ 3.89Å; L271-F281 HydrophobicContact CD1-CZ 4.47Å; L271-F281 PolarHBondContact N-O 2.97Å; L271-F281 WeakPolarHBondContact O-CD1 3.44Å; L271-F281 WeakPolarHBondContact O-CE1 3.33Å; L271-F281 PolarHBondContact O-N 2.99Å; L271-A283 HydrophobicContact CD1-CB 4.13Å; L271-A283 HydrophobicContact CG-CB 4.28Å; L271-A286 HydrophobicContact CD1-CB 3.7Å
272	M	78.6	Confident	80.7	Confident	126 Å²	126	76 Å²	76	62%	0.621	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.3	173.9	-68.4	175.4	179.7	0	0	110	I274 T280	M272-I274 PolarHBondContact O-N 3.23Å; M272-T280 HydrophobicContact CE-CG2 3.71Å; M272-T280 HydrophobicContact CG-CG2 3.65Å
273	I	72	Confident	80.4	Confident	71 Å²	71	75.6 Å²	75.6	36%	0.364	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.4	170	-56.6	-179	0	0	0	108.3	F275 L276 F281	I273-F275 PolarHBondContact O-N 3Å; I273-L276 HydrophobicContact CB-CB 4.14Å; I273-L276 HydrophobicContact CG2-CB 4.32Å; I273-L276 CarbonylContact O-C 3.46Å; I273-L276 WeakPolarHBondContact O-CA 3.46Å; I273-L276 PolarHBondContact O-N 3.24Å; I273-F281 HydrophobicContact CD1-CE1 4.25Å; I273-F281 HydrophobicContact CG1-CD1 4.18Å; I273-F281 HydrophobicContact CG1-CE1 3.5Å; I273-F281 VanDerWaalsContact CG1-CE1 3.5Å; I273-F281 HydrophobicContact CG1-CZ 4.17Å
274	I	67	Low	80.1	Confident	79 Å²	79	80.2 Å²	80.2	41%	0.405	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-37.2	-172.5	-55.5	159.2	0	0	0	113.2	Y201 M272	Y201-I274 HydrophobicContact CD1-CD1 3.55Å; Y201-I274 HydrophobicContact CD1-CG1 4.34Å; Y201-I274 HydrophobicContact CE1-CD1 3.3Å; Y201-I274 HydrophobicContact CE1-CG1 3.59Å; Y201-I274 HydrophobicContact CE1-CG2 4.29Å; M272-I274 PolarHBondContact O-N 3.23Å
275	F	60.6	Low	79.8	Confident	176 Å²	176	81.2 Å²	81.2	77%	0.772	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.2	-179.5	-60.7	-74.1	0	0	0	114.2	I273	I273-F275 PolarHBondContact O-N 3Å
276	L	73.3	Confident	79.6	Confident	85 Å²	85	78.3 Å²	78.3	45%	0.445	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	64.3	-175.7	-66	164.3	0	0	0	109.4	I273 Y278 I279	I273-L276 HydrophobicContact CB-CB 4.14Å; I273-L276 HydrophobicContact CG2-CB 4.32Å; I273-L276 CarbonylContact O-C 3.46Å; I273-L276 WeakPolarHBondContact O-CA 3.46Å; I273-L276 PolarHBondContact O-N 3.24Å; L276-Y278 PolarHBondContact O-N 3.18Å; L276-I279 HydrophobicContact CB-CB 4.45Å; L276-I279 HydrophobicContact CB-CD1 4.03Å; L276-I279 HydrophobicContact CB-CG1 4.25Å; L276-I279 HydrophobicContact CD1-CD1 4.03Å; L276-I279 HydrophobicContact CD2-CD1 4.47Å; L276-I279 HydrophobicContact CG-CD1 4.4Å; L276-I279 PolarHBondContact O-N 3.44Å
277	P	67.3	Low	79.6	Confident	69 Å²	69	76.1 Å²	76.1	45%	0.448	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	-13.5	-174.6	27.4	-36.8	0	0	0	114.1	I279	P277-I279 VanDerWaalsContact C-N 3.28Å
278	Y	75	Confident	79.8	Confident	214 Å²	214	80.6 Å²	80.6	84%	0.839	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	1.5	173.8	-49.5	-72.4	0	0	0	113.8	L276	L276-Y278 PolarHBondContact O-N 3.18Å
279	I	75.4	Confident	80.1	Confident	47 Å²	47	78 Å²	78	24%	0.241	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	93.5	175.4	-54.8	179.4	0	0	0	107.2	L276 P277 V647	L276-I279 HydrophobicContact CB-CB 4.45Å; L276-I279 HydrophobicContact CB-CD1 4.03Å; L276-I279 HydrophobicContact CB-CG1 4.25Å; L276-I279 HydrophobicContact CD1-CD1 4.03Å; L276-I279 HydrophobicContact CD2-CD1 4.47Å; L276-I279 HydrophobicContact CG-CD1 4.4Å; L276-I279 PolarHBondContact O-N 3.44Å; P277-I279 VanDerWaalsContact C-N 3.28Å; I279-V647 HydrophobicContact CD1-CG1 3.65Å; I279-V647 HydrophobicContact CD1-CG2 4.39Å; I279-V647 HydrophobicContact CG1-CG1 4.28Å; I279-V647 HydrophobicContact CG1-CG2 4.24Å
280	T	79.8	Confident	80.4	Confident	59 Å²	59	78 Å²	78	36%	0.362	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	148.4	162.2	52.9	0	0	0	0	110.2	E270 L271 M272	E270-T280 HydrophobicContact CB-CG2 4.28Å; E270-T280 WeakPolarHBondContact OE2-CB 3.38Å; E270-T280 VanDerWaalsContact OE2-CG2 3.27Å; E270-T280 WeakPolarHBondContact OE2-CG2 3.27Å; E270-T280 PolarHBondContact OE2-OG1 3.31Å; L271-T280 VanDerWaalsContact O-CA 3.32Å; L271-T280 WeakPolarHBondContact O-CA 3.43Å; M272-T280 HydrophobicContact CE-CG2 3.71Å; M272-T280 HydrophobicContact CG-CG2 3.65Å
281	F	82	Confident	81	Confident	60 Å²	60	73.3 Å²	73.3	26%	0.263	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	141.4	175.8	62.5	-67.3	0	0	0	108.4	L271 I273 A286	L271-F281 HydrophobicContact CB-CD1 4.22Å; L271-F281 HydrophobicContact CB-CE1 3.78Å; L271-F281 HydrophobicContact CB-CE2 4.41Å; L271-F281 HydrophobicContact CB-CZ 3.89Å; L271-F281 HydrophobicContact CD1-CZ 4.47Å; L271-F281 PolarHBondContact N-O 2.97Å; L271-F281 WeakPolarHBondContact O-CD1 3.44Å; L271-F281 WeakPolarHBondContact O-CE1 3.33Å; L271-F281 PolarHBondContact O-N 2.99Å; I273-F281 HydrophobicContact CD1-CE1 4.25Å; I273-F281 HydrophobicContact CG1-CD1 4.18Å; I273-F281 HydrophobicContact CG1-CE1 3.5Å; I273-F281 VanDerWaalsContact CG1-CE1 3.5Å; I273-F281 HydrophobicContact CG1-CZ 4.17Å; F281-A286 HydrophobicContact CD2-CB 3.86Å; F281-A286 HydrophobicContact CE2-CB 3.4Å; F281-A286 VanDerWaalsContact CE2-CB 3.4Å; F281-A286 HydrophobicContact CZ-CB 4.4Å
282	T	87.1	Confident	81.6	Confident	57 Å²	57	73.4 Å²	73.4	35%	0.35	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	145.1	-175.8	61.2	0	0	0	0	110.4	H284 T285 A286	T282-H284 PolarHBondContact O-N 3.36Å; T282-H284 VanDerWaalsContact O-N 3.12Å; T282-T285 PolarHBondContact N-OG1 3.21Å; T282-T285 WeakPolarHBondContact O-CA 3.31Å; T282-T285 PolarHBondContact O-N 3.02Å; T282-T285 PolarHBondContact O-OG1 3.22Å; T282-T285 WeakPolarHBondContact OG1-CG2 3.5Å; T282-A286 PolarHBondContact O-N 3.46Å
283	A	86.9	Confident	82.2	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-56.1	-31.3	179.5	0	0	0	0	0	112.8	C263 I266 P267 A269 L271 A286 V287	C263-A283 HydrophobicContact CB-CB 3.94Å; I266-A283 WeakPolarHBondContact O-CB 3.49Å; P267-A283 PolarHBondContact O-N 3.35Å; A269-A283 HydrophobicContact CB-CB 4.27Å; A269-A283 WeakPolarHBondContact O-CB 3.44Å; A269-A283 PolarHBondContact O-N 2.97Å; L271-A283 HydrophobicContact CD1-CB 4.13Å; L271-A283 HydrophobicContact CG-CB 4.28Å; A283-A286 VanDerWaalsContact O-CB 3.32Å; A283-A286 WeakPolarHBondContact O-CB 3.31Å; A283-A286 PolarHBondContact O-N 3.06Å; A283-V287 PolarHBondContact O-N 3.12Å
284	H	85.8	Confident	83.2	Confident	99 Å²	99	68.5 Å²	68.5	46%	0.458	35%	0.346	S	S	.	.	H	α-helix	trans	-58.5	-47.6	169.5	-173.2	-128.8	0	0	0	112.8	P267 T282 A286 V287 Y288	P267-H284 HydrophobicContact CB-CB 4.28Å; P267-H284 PolarHBondContact O-N 3.15Å; P267-H284 VanDerWaalsContact O-N 3.11Å; T282-H284 PolarHBondContact O-N 3.36Å; T282-H284 VanDerWaalsContact O-N 3.12Å; H284-A286 VanDerWaalsContact C-N 3.29Å; H284-A286 PolarHBondContact O-N 3.14Å; H284-V287 PolarHBondContact O-N 3.07Å; H284-Y288 AromaticContact CD2-CE2 3.68Å; H284-Y288 AromaticContact CE1-CE2 3.63Å; H284-Y288 AromaticContact ND1-CE2 3.99Å; H284-Y288 AromaticContact NE2-CE2 3.39Å; H284-Y288 WeakPolarHBondContact NE2-CE2 3.33Å; H284-Y288 AromaticContact NE2-CZ 3.56Å; H284-Y288 PolarHBondContact NE2-OH 3.47Å; H284-Y288 WeakPolarHBondContact O-CD2 3.29Å; H284-Y288 VanDerWaalsContact O-CE2 3.3Å; H284-Y288 WeakPolarHBondContact O-CE2 3.36Å
285	T	87.1	Confident	84.4	Confident	58 Å²	58	68.3 Å²	68.3	36%	0.356	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-32.4	175.1	62.3	0	0	0	0	112.8	T282 V287 Y288 V289	T282-T285 PolarHBondContact N-OG1 3.21Å; T282-T285 WeakPolarHBondContact O-CA 3.31Å; T282-T285 PolarHBondContact O-N 3.02Å; T282-T285 PolarHBondContact O-OG1 3.22Å; T282-T285 WeakPolarHBondContact OG1-CG2 3.5Å; T285-V287 VanDerWaalsContact C-N 3.29Å; T285-V287 PolarHBondContact O-N 2.85Å; T285-Y288 PolarHBondContact O-N 2.7Å; T285-V289 WeakPolarHBondContact O-CG2 3.42Å; T285-V289 PolarHBondContact O-N 2.78Å; T285-V289 VanDerWaalsContact O-N 3.08Å
286	A	87.1	Confident	85.9	Confident	2 Å²	2	60.6 Å²	60.6	2%	0.017	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-38.7	178	0	0	0	0	0	112.7	L271 F281 T282 A283 H284 V289 V290	L271-A286 HydrophobicContact CD1-CB 3.7Å; F281-A286 HydrophobicContact CD2-CB 3.86Å; F281-A286 HydrophobicContact CE2-CB 3.4Å; F281-A286 VanDerWaalsContact CE2-CB 3.4Å; F281-A286 HydrophobicContact CZ-CB 4.4Å; T282-A286 PolarHBondContact O-N 3.46Å; A283-A286 VanDerWaalsContact O-CB 3.32Å; A283-A286 WeakPolarHBondContact O-CB 3.31Å; A283-A286 PolarHBondContact O-N 3.06Å; H284-A286 VanDerWaalsContact C-N 3.29Å; H284-A286 PolarHBondContact O-N 3.14Å; A286-V289 PolarHBondContact O-N 3.19Å; A286-V290 WeakPolarHBondContact O-CB 3.11Å; A286-V290 VanDerWaalsContact O-CG2 3.29Å; A286-V290 WeakPolarHBondContact O-CG2 3.28Å; A286-V290 PolarHBondContact O-N 2.81Å
287	V	90.2	Very high	86.7	Confident	15 Å²	15	56.6 Å²	56.6	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-51.3	178.9	175.6	0	0	0	0	111.1	M260 C263 A283 H284 T285 I291 V318	M260-V287 HydrophobicContact CE-CG2 4.37Å; M260-V287 HydrophobicContact SD-CB 4.06Å; M260-V287 HydrophobicContact SD-CG1 3.97Å; M260-V287 HydrophobicContact SD-CG2 3.9Å; C263-V287 HydrophobicContact CB-CG2 3.61Å; A283-V287 PolarHBondContact O-N 3.12Å; H284-V287 PolarHBondContact O-N 3.07Å; T285-V287 VanDerWaalsContact C-N 3.29Å; T285-V287 PolarHBondContact O-N 2.85Å; V287-I291 HydrophobicContact CG1-CD1 3.77Å; V287-I291 WeakPolarHBondContact O-CB 3.14Å; V287-I291 WeakPolarHBondContact O-CG1 3.39Å; V287-I291 PolarHBondContact O-N 3.12Å; V287-V318 HydrophobicContact CG1-CG2 4.23Å
288	Y	91.4	Very high	87.8	Confident	145 Å²	145	54.7 Å²	54.7	57%	0.569	28%	0.279	S	S	*	.	H	α-helix	trans	-66.7	-39	179.7	-54.6	-77.1	0	0	0	112.6	H284 T285 G292	H284-Y288 AromaticContact CD2-CE2 3.68Å; H284-Y288 AromaticContact CE1-CE2 3.63Å; H284-Y288 AromaticContact ND1-CE2 3.99Å; H284-Y288 AromaticContact NE2-CE2 3.39Å; H284-Y288 WeakPolarHBondContact NE2-CE2 3.33Å; H284-Y288 AromaticContact NE2-CZ 3.56Å; H284-Y288 PolarHBondContact NE2-OH 3.47Å; H284-Y288 WeakPolarHBondContact O-CD2 3.29Å; H284-Y288 VanDerWaalsContact O-CE2 3.3Å; H284-Y288 WeakPolarHBondContact O-CE2 3.36Å; T285-Y288 PolarHBondContact O-N 2.7Å; Y288-G292 WeakPolarHBondContact O-CA 3.49Å; Y288-G292 PolarHBondContact O-N 3.07Å
289	V	90.4	Very high	88.5	Confident	92 Å²	92	49.2 Å²	49.2	56%	0.558	26%	0.264	S	S	*	.	H	α-helix	trans	-66.7	-43.4	179.8	171.7	0	0	0	0	111.4	T285 A286 L293	T285-V289 WeakPolarHBondContact O-CG2 3.42Å; T285-V289 PolarHBondContact O-N 2.78Å; T285-V289 VanDerWaalsContact O-N 3.08Å; A286-V289 PolarHBondContact O-N 3.19Å; V289-L293 VanDerWaalsContact O-CB 3.25Å; V289-L293 WeakPolarHBondContact O-CB 3.34Å; V289-L293 PolarHBondContact O-N 2.85Å
290	V	91	Very high	89.1	Confident	32 Å²	32	50.3 Å²	50.3	19%	0.194	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-51.3	177.8	169.2	0	0	0	0	111	L256 M260 A286 G292 L293 D294	L256-V290 HydrophobicContact CD2-CG1 3.98Å; M260-V290 HydrophobicContact CE-CB 4Å; M260-V290 HydrophobicContact CE-CG1 4.08Å; M260-V290 HydrophobicContact CE-CG2 4.09Å; M260-V290 HydrophobicContact SD-CB 4.43Å; M260-V290 HydrophobicContact SD-CG1 4.39Å; A286-V290 WeakPolarHBondContact O-CB 3.11Å; A286-V290 VanDerWaalsContact O-CG2 3.29Å; A286-V290 WeakPolarHBondContact O-CG2 3.28Å; A286-V290 PolarHBondContact O-N 2.81Å; V290-G292 VanDerWaalsContact C-N 3.34Å; V290-G292 PolarHBondContact O-N 3.4Å; V290-L293 PolarHBondContact O-N 2.85Å; V290-D294 PolarHBondContact O-N 2.9Å; V290-D294 VanDerWaalsContact O-N 3.08Å
291	I	93.6	Very high	89.3	Confident	30 Å²	30	54.2 Å²	54.2	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-42	-179.9	-69.2	174.5	0	0	0	110.9	M260 V287 D294 I295 L311 V318	M260-I291 HydrophobicContact SD-CD1 4.48Å; M260-I291 HydrophobicContact SD-CG1 4.44Å; V287-I291 HydrophobicContact CG1-CD1 3.77Å; V287-I291 WeakPolarHBondContact O-CB 3.14Å; V287-I291 WeakPolarHBondContact O-CG1 3.39Å; V287-I291 PolarHBondContact O-N 3.12Å; I291-D294 PolarHBondContact O-N 2.78Å; I291-I295 HydrophobicContact CG2-CD1 3.74Å; I291-I295 HydrophobicContact CG2-CG1 4.5Å; I291-I295 VanDerWaalsContact O-CG1 3.28Å; I291-I295 WeakPolarHBondContact O-CG1 3.23Å; I291-I295 PolarHBondContact O-N 3.15Å; I291-L311 HydrophobicContact CG2-CD1 3.92Å; I291-V318 HydrophobicContact CD1-CG2 4.27Å
292	G	92.1	Very high	89.3	Confident	24 Å²	24	57.5 Å²	57.5	25%	0.247	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-38.5	176.2	0	0	0	0	0	113.4	Y288 V290 A296	Y288-G292 WeakPolarHBondContact O-CA 3.49Å; Y288-G292 PolarHBondContact O-N 3.07Å; V290-G292 VanDerWaalsContact C-N 3.34Å; V290-G292 PolarHBondContact O-N 3.4Å; G292-A296 VanDerWaalsContact O-CB 3.3Å; G292-A296 WeakPolarHBondContact O-CB 3.43Å; G292-A296 PolarHBondContact O-N 2.98Å
293	L	90.8	Very high	88.8	Confident	88 Å²	88	62 Å²	62	46%	0.461	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-43.2	175.9	-171.6	158.4	0	0	0	111.5	V289 V290 A296 G297 W302	V289-L293 VanDerWaalsContact O-CB 3.25Å; V289-L293 WeakPolarHBondContact O-CB 3.34Å; V289-L293 PolarHBondContact O-N 2.85Å; V290-L293 PolarHBondContact O-N 2.85Å; L293-A296 PolarHBondContact O-N 2.94Å; L293-G297 PolarHBondContact O-N 2.66Å; L293-W302 HydrophobicContact CD2-CZ3 4.3Å; L293-W302 HydrophobicContact CG-CZ3 4.37Å
294	D	93.1	Very high	88.3	Confident	6 Å²	6	69.1 Å²	69.1	3%	0.032	34%	0.34	C	S	.	.	H	α-helix	trans	-67.7	-41.4	176.6	-79.5	-36.5	0	0	0	112.6	V290 I291 A296 G297 L298 H307 H310 L311	V290-D294 PolarHBondContact O-N 2.9Å; V290-D294 VanDerWaalsContact O-N 3.08Å; I291-D294 PolarHBondContact O-N 2.78Å; D294-A296 VanDerWaalsContact C-N 3.34Å; D294-A296 PolarHBondContact O-N 2.8Å; D294-G297 PolarHBondContact O-N 3.37Å; D294-L298 VanDerWaalsContact O-CG 3.29Å; D294-L298 WeakPolarHBondContact O-CG 3.34Å; D294-L298 PolarHBondContact O-N 3.25Å; D294-H307 HydrophobicContact CB-CB 4.49Å; D294-H307 IonicContact OD1-CE1 3.91Å; D294-H307 IonicContact OD1-CG 3.95Å; D294-H307 IonicContact OD1-ND1 2.59Å; D294-H307 PolarHBondContact OD1-ND1 3.43Å; D294-H310 WeakPolarHBondContact OD1-CB 3.36Å; D294-H310 IonicContact OD1-ND1 2.67Å; D294-H310 WeakPolarHBondContact OD2-CB 3.33Å; D294-L311 HydrophobicContact CB-CB 4.02Å; D294-L311 PolarHBondContact OD2-N 3.45Å
295	I	93.5	Very high	88.1	Confident	75 Å²	75	70.4 Å²	70.4	39%	0.385	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-45.5	173.7	-69.3	168.4	0	0	0	110.4	I291 G297 L298 L299 L311	I291-I295 HydrophobicContact CG2-CD1 3.74Å; I291-I295 HydrophobicContact CG2-CG1 4.5Å; I291-I295 VanDerWaalsContact O-CG1 3.28Å; I291-I295 WeakPolarHBondContact O-CG1 3.23Å; I291-I295 PolarHBondContact O-N 3.15Å; I295-G297 PolarHBondContact O-N 3.36Å; I295-L298 PolarHBondContact O-N 3.15Å; I295-L299 HydrophobicContact CG2-CD1 3.9Å; I295-L299 HydrophobicContact CG2-CG 4.42Å; I295-L299 VanDerWaalsContact O-CG 3.3Å; I295-L299 WeakPolarHBondContact O-CG 3.4Å; I295-L299 PolarHBondContact O-N 2.99Å; I295-L311 HydrophobicContact CG1-CD1 4.17Å; I295-L311 HydrophobicContact CG1-CD2 3.95Å
296	A	91.4	Very high	88.1	Confident	14 Å²	14	68.9 Å²	68.9	12%	0.116	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-42.7	173.7	0	0	0	0	0	112	G292 L293 D294 L298 L299 F300	G292-A296 VanDerWaalsContact O-CB 3.3Å; G292-A296 WeakPolarHBondContact O-CB 3.43Å; G292-A296 PolarHBondContact O-N 2.98Å; L293-A296 PolarHBondContact O-N 2.94Å; D294-A296 VanDerWaalsContact C-N 3.34Å; D294-A296 PolarHBondContact O-N 2.8Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 2.94Å; A296-L299 PolarHBondContact O-N 2.89Å; A296-F300 HydrophobicContact CB-CD2 4.09Å; A296-F300 HydrophobicContact CB-CE2 3.98Å; A296-F300 WeakPolarHBondContact O-CB 3.49Å; A296-F300 WeakPolarHBondContact O-CD2 3.3Å; A296-F300 WeakPolarHBondContact O-CG 3.34Å; A296-F300 PolarHBondContact O-N 2.98Å
297	G	89.3	Confident	88.3	Confident	1 Å²	1	69 Å²	69	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-36.6	175.9	0	0	0	0	0	113.4	L293 D294 I295 R301 W302	L293-G297 PolarHBondContact O-N 2.66Å; D294-G297 PolarHBondContact O-N 3.37Å; I295-G297 PolarHBondContact O-N 3.36Å; G297-R301 CarbonylContact O-C 3.55Å; G297-R301 VanDerWaalsContact O-CA 3.31Å; G297-R301 WeakPolarHBondContact O-CA 3.22Å; G297-R301 PolarHBondContact O-N 3.26Å; G297-W302 PolarHBondContact O-N 2.96Å
298	L	90	Very high	88.5	Confident	30 Å²	30	68.7 Å²	68.7	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-70.9	-45.6	174	-68.3	168.8	0	0	0	112.6	Y238 D294 I295 A296 R301 H307 A308 L311	Y238-L298 HydrophobicContact CD1-CD2 3.94Å; Y238-L298 HydrophobicContact CD2-CD2 3.94Å; Y238-L298 HydrophobicContact CE1-CD2 3.55Å; Y238-L298 HydrophobicContact CE2-CB 4.47Å; Y238-L298 HydrophobicContact CE2-CD2 3.54Å; Y238-L298 HydrophobicContact CG-CD2 4.12Å; Y238-L298 PolarHBondContact OH-O 2.91Å; Y238-L298 VanDerWaalsContact OH-O 3.08Å; D294-L298 VanDerWaalsContact O-CG 3.29Å; D294-L298 WeakPolarHBondContact O-CG 3.34Å; D294-L298 PolarHBondContact O-N 3.25Å; I295-L298 PolarHBondContact O-N 3.15Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 2.94Å; L298-R301 PolarHBondContact O-N 2.85Å; L298-H307 HydrophobicContact CD2-CB 3.91Å; L298-H307 HydrophobicContact CG-CB 3.85Å; L298-A308 HydrophobicContact CD2-CB 3.83Å; L298-L311 HydrophobicContact CD1-CB 4.44Å; L298-L311 HydrophobicContact CD1-CD2 3.61Å
299	L	89.8	Confident	88.7	Confident	99 Å²	99	62.3 Å²	62.3	52%	0.518	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-45.2	179.6	-70.2	171.4	0	0	0	111.8	I295 A296 R301 V988	I295-L299 HydrophobicContact CG2-CD1 3.9Å; I295-L299 HydrophobicContact CG2-CG 4.42Å; I295-L299 VanDerWaalsContact O-CG 3.3Å; I295-L299 WeakPolarHBondContact O-CG 3.4Å; I295-L299 PolarHBondContact O-N 2.99Å; A296-L299 PolarHBondContact O-N 2.89Å; L299-R301 VanDerWaalsContact C-N 3.29Å; L299-R301 PolarHBondContact O-N 2.98Å; L299-V988 HydrophobicContact CD1-CG2 4.39Å
300	F	88.6	Confident	89	Confident	69 Å²	69	58.8 Å²	58.8	30%	0.303	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.5	177.9	-56.5	-46.4	0	0	0	113.7	A296 W302 A985	A296-F300 HydrophobicContact CB-CD2 4.09Å; A296-F300 HydrophobicContact CB-CE2 3.98Å; A296-F300 WeakPolarHBondContact O-CB 3.49Å; A296-F300 WeakPolarHBondContact O-CD2 3.3Å; A296-F300 WeakPolarHBondContact O-CG 3.34Å; A296-F300 PolarHBondContact O-N 2.98Å; F300-W302 VanDerWaalsContact C-N 3.28Å; F300-W302 HydrophobicContact CB-CG 4.47Å; F300-W302 HydrophobicContact CD2-CZ2 4.07Å; F300-W302 PolarHBondContact O-N 3.24Å; F300-A985 HydrophobicContact CD1-CB 4.38Å; F300-A985 HydrophobicContact CE1-CB 3.47Å; F300-A985 VanDerWaalsContact CE1-CB 3.47Å; F300-A985 HydrophobicContact CZ-CB 3.89Å
301	R	83.8	Confident	89.3	Confident	141 Å²	141	58.5 Å²	58.5	53%	0.532	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	44.9	-179.4	-59.6	-177	177	-170.6	-2.5	112.7	G297 L298 L299 Q303	G297-R301 CarbonylContact O-C 3.55Å; G297-R301 VanDerWaalsContact O-CA 3.31Å; G297-R301 WeakPolarHBondContact O-CA 3.22Å; G297-R301 PolarHBondContact O-N 3.26Å; L298-R301 PolarHBondContact O-N 2.85Å; L299-R301 VanDerWaalsContact C-N 3.29Å; L299-R301 PolarHBondContact O-N 2.98Å; R301-Q303 WeakPolarHBondContact O-CG 3.44Å
302	W	82.4	Confident	89.4	Confident	129 Å²	129	57.6 Å²	57.6	49%	0.489	28%	0.283	S	S	.	.			trans	-59.3	140.7	172.7	-69.1	-9.9	0	0	0	110.3	L293 G297 F300 H307	L293-W302 HydrophobicContact CD2-CZ3 4.3Å; L293-W302 HydrophobicContact CG-CZ3 4.37Å; G297-W302 PolarHBondContact O-N 2.96Å; F300-W302 VanDerWaalsContact C-N 3.28Å; F300-W302 HydrophobicContact CB-CG 4.47Å; F300-W302 HydrophobicContact CD2-CZ2 4.07Å; F300-W302 PolarHBondContact O-N 3.24Å; W302-H307 AromaticContact CE3-NE2 3.91Å
303	Q	76.6	Confident	89.7	Confident	151 Å²	151	56.5 Å²	56.5	71%	0.706	27%	0.272	S	S	*	.	S	Bend	trans	-112.6	6.7	-167.1	-54.7	-166.4	17.6	0	0	114.1	R301	R301-Q303 WeakPolarHBondContact O-CG 3.44Å
304	L	75.3	Confident	90	Very high	152 Å²	152	52.3 Å²	52.3	80%	0.796	25%	0.25	S	C	*	.	S	Bend	trans	-82.4	-30.8	-178.4	-62.5	177.8	0	0	0	112.5
305	F	83.3	Confident	90.1	Very high	125 Å²	125	56.4 Å²	56.4	55%	0.548	27%	0.271	S	S	.	.	S	Bend	trans	-133.3	158	-174.4	-56.1	-64.8	0	0	0	111.3	H307	F305-H307 AromaticContact CD2-CE1 3.84Å; F305-H307 PolarHBondContact O-N 2.91Å; F305-H307 VanDerWaalsContact O-N 3.11Å
306	D	85.5	Confident	90.3	Very high	26 Å²	26	54 Å²	54	14%	0.139	26%	0.258	C	S	.	.			trans	-85.9	67.6	172.5	-165.6	15.9	0	0	0	109.5	K239 S248 A308 A309 H310	K239-D306 WeakPolarHBondContact CE-OD1 3.09Å; K239-D306 IonicContact NZ-OD1 2.67Å; K239-D306 PolarHBondContact NZ-OD1 2.72Å; K239-D306 VanDerWaalsContact NZ-OD1 3.11Å; K239-D306 IonicContact NZ-OD2 3.11Å; K239-D306 PolarHBondContact NZ-OD2 3.24Å; S248-D306 WeakPolarHBondContact CB-OD2 3.48Å; S248-D306 PolarHBondContact OG-OD2 2.94Å; D306-A308 PolarHBondContact O-N 3.38Å; D306-A309 HydrophobicContact CB-CB 4.15Å; D306-A309 WeakPolarHBondContact O-CA 3.02Å; D306-A309 WeakPolarHBondContact O-CB 3.44Å; D306-A309 PolarHBondContact O-N 3.44Å; D306-H310 PolarHBondContact O-N 3.23Å
307	H	93.1	Very high	90.6	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-52.5	-24.6	-173.1	-69.4	-68.6	0	0	0	114	D294 L298 W302 F305 L311	D294-H307 HydrophobicContact CB-CB 4.49Å; D294-H307 IonicContact OD1-CE1 3.91Å; D294-H307 IonicContact OD1-CG 3.95Å; D294-H307 IonicContact OD1-ND1 2.59Å; D294-H307 PolarHBondContact OD1-ND1 3.43Å; L298-H307 HydrophobicContact CD2-CB 3.91Å; L298-H307 HydrophobicContact CG-CB 3.85Å; W302-H307 AromaticContact CE3-NE2 3.91Å; F305-H307 AromaticContact CD2-CE1 3.84Å; F305-H307 PolarHBondContact O-N 2.91Å; F305-H307 VanDerWaalsContact O-N 3.11Å; H307-L311 VanDerWaalsContact O-CB 3.22Å; H307-L311 WeakPolarHBondContact O-CB 3.24Å; H307-L311 PolarHBondContact O-N 2.85Å
308	A	94.5	Very high	90.9	Very high	8 Å²	8	54.7 Å²	54.7	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-74.7	-37.7	175.6	0	0	0	0	0	112.3	A234 Y238 L298 D306 G312	A234-A308 VanDerWaalsContact CB-O 3.23Å; A234-A308 WeakPolarHBondContact CB-O 3.4Å; Y238-A308 HydrophobicContact CD1-CB 3.73Å; Y238-A308 HydrophobicContact CD2-CB 4.44Å; Y238-A308 HydrophobicContact CG-CB 3.62Å; L298-A308 HydrophobicContact CD2-CB 3.83Å; D306-A308 PolarHBondContact O-N 3.38Å; A308-G312 PolarHBondContact O-N 3.26Å
309	A	95.6	Very high	91.2	Very high	10 Å²	10	58.3 Å²	58.3	8%	0.083	27%	0.272	C	S	.	.	H	α-helix	trans	-73.4	-33.1	172	0	0	0	0	0	111.8	A231 D306 G313	A231-A309 HydrophobicContact CB-CB 4.38Å; A231-A309 VanDerWaalsContact CB-O 3.22Å; A231-A309 WeakPolarHBondContact CB-O 3.45Å; A231-A309 VanDerWaalsContact O-CA 3.23Å; A231-A309 WeakPolarHBondContact O-CA 3.16Å; A231-A309 VanDerWaalsContact O-CB 3.25Å; A231-A309 WeakPolarHBondContact O-CB 3.37Å; D306-A309 HydrophobicContact CB-CB 4.15Å; D306-A309 WeakPolarHBondContact O-CA 3.02Å; D306-A309 WeakPolarHBondContact O-CB 3.44Å; D306-A309 PolarHBondContact O-N 3.44Å; A309-G313 PolarHBondContact O-N 3.46Å
310	H	96.2	Very high	91.5	Very high	18 Å²	18	54.4 Å²	54.4	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-52.1	174.3	-67.4	-176	0	0	0	111.1	S252 L256 D294 D306 G312 G313 S314	S252-H310 VanDerWaalsContact CB-NE2 3.29Å; S252-H310 WeakPolarHBondContact CB-NE2 3.34Å; S252-H310 PolarHBondContact OG-NE2 3.03Å; L256-H310 HydrophobicContact CD1-CB 3.44Å; L256-H310 VanDerWaalsContact CD1-CB 3.44Å; D294-H310 WeakPolarHBondContact OD1-CB 3.36Å; D294-H310 IonicContact OD1-ND1 2.67Å; D294-H310 WeakPolarHBondContact OD2-CB 3.33Å; D306-H310 PolarHBondContact O-N 3.23Å; H310-G312 PolarHBondContact O-N 3.35Å; H310-G313 PolarHBondContact O-N 2.85Å; H310-S314 WeakPolarHBondContact O-CB 3.11Å; H310-S314 PolarHBondContact O-N 2.81Å; H310-S314 PolarHBondContact O-OG 3.09Å; H310-S314 VanDerWaalsContact O-OG 3.08Å
311	L	96.1	Very high	91.7	Very high	27 Å²	27	51.6 Å²	51.6	14%	0.141	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-44.4	173.4	-175.7	60.2	0	0	0	112.6	I291 D294 I295 L298 H307 G313 S314 L315	I291-L311 HydrophobicContact CG2-CD1 3.92Å; D294-L311 HydrophobicContact CB-CB 4.02Å; D294-L311 PolarHBondContact OD2-N 3.45Å; I295-L311 HydrophobicContact CG1-CD1 4.17Å; I295-L311 HydrophobicContact CG1-CD2 3.95Å; L298-L311 HydrophobicContact CD1-CB 4.44Å; L298-L311 HydrophobicContact CD1-CD2 3.61Å; H307-L311 VanDerWaalsContact O-CB 3.22Å; H307-L311 WeakPolarHBondContact O-CB 3.24Å; H307-L311 PolarHBondContact O-N 2.85Å; L311-G313 VanDerWaalsContact C-N 3.33Å; L311-G313 PolarHBondContact O-N 3.48Å; L311-S314 PolarHBondContact O-N 2.81Å; L311-L315 HydrophobicContact CD1-CD1 4.05Å; L311-L315 HydrophobicContact CD1-CG 4.01Å; L311-L315 HydrophobicContact CG-CD1 3.89Å; L311-L315 HydrophobicContact CG-CG 4.28Å; L311-L315 WeakPolarHBondContact O-CB 3.48Å; L311-L315 VanDerWaalsContact O-CG 3.31Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 2.83Å
312	G	96.8	Very high	92.2	Very high	11 Å²	11	50.9 Å²	50.9	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-36.7	178.3	0	0	0	0	0	113.4	A308 H310 F316	A308-G312 PolarHBondContact O-N 3.26Å; H310-G312 PolarHBondContact O-N 3.35Å; G312-F316 WeakPolarHBondContact O-CB 3.45Å; G312-F316 PolarHBondContact O-N 3.21Å
313	G	97.3	Very high	92.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-52.7	169.9	0	0	0	0	0	111.8	G253 A257 A309 H310 L311 L315 F316 G317	G253-G313 WeakPolarHBondContact O-CA 3.34Å; A257-G313 WeakPolarHBondContact CA-O 3.37Å; A257-G313 WeakPolarHBondContact CB-O 3.32Å; A309-G313 PolarHBondContact O-N 3.46Å; H310-G313 PolarHBondContact O-N 2.85Å; L311-G313 VanDerWaalsContact C-N 3.33Å; L311-G313 PolarHBondContact O-N 3.48Å; G313-L315 PolarHBondContact O-N 3.34Å; G313-F316 PolarHBondContact O-N 3.28Å; G313-F316 VanDerWaalsContact O-N 3.13Å; G313-G317 PolarHBondContact O-N 2.57Å
314	S	97.2	Very high	93.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-53.9	-49.5	179.3	-65.2	0	0	0	0	112.5	H310 L311 F316 G317 V318	H310-S314 WeakPolarHBondContact O-CB 3.11Å; H310-S314 PolarHBondContact O-N 2.81Å; H310-S314 PolarHBondContact O-OG 3.09Å; H310-S314 VanDerWaalsContact O-OG 3.08Å; L311-S314 PolarHBondContact O-N 2.81Å; S314-F316 PolarHBondContact O-N 3.45Å; S314-G317 PolarHBondContact O-N 3.08Å; S314-V318 WeakPolarHBondContact O-CG2 3.46Å; S314-V318 PolarHBondContact O-N 3.03Å
315	L	96.8	Very high	93.8	Very high	92 Å²	92	39.4 Å²	39.4	48%	0.482	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-38	177.8	-69	173.8	0	0	0	112.6	L311 G313 V318 W319	L311-L315 HydrophobicContact CD1-CD1 4.05Å; L311-L315 HydrophobicContact CD1-CG 4.01Å; L311-L315 HydrophobicContact CG-CD1 3.89Å; L311-L315 HydrophobicContact CG-CG 4.28Å; L311-L315 WeakPolarHBondContact O-CB 3.48Å; L311-L315 VanDerWaalsContact O-CG 3.31Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 2.83Å; G313-L315 PolarHBondContact O-N 3.34Å; L315-V318 PolarHBondContact O-N 3.09Å; L315-W319 WeakPolarHBondContact O-CB 3.3Å; L315-W319 PolarHBondContact O-N 2.83Å
316	F	97.3	Very high	94.1	Very high	25 Å²	25	39.5 Å²	39.5	11%	0.11	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-38.8	173.7	-178.5	-92	0	0	0	112	F223 T226 S227 V230 A257 G312 G313 S314 W319 Y320	F223-F316 HydrophobicContact CD2-CD1 4.49Å; F223-F316 AromaticContact CD2-CE1 3.77Å; F223-F316 HydrophobicContact CD2-CE1 3.77Å; F223-F316 AromaticContact CE2-CD1 3.93Å; F223-F316 HydrophobicContact CE2-CD1 3.93Å; F223-F316 AromaticContact CE2-CE1 3.65Å; F223-F316 HydrophobicContact CE2-CE1 3.65Å; T226-F316 HydrophobicContact CG2-CE2 4.06Å; T226-F316 HydrophobicContact CG2-CZ 3.7Å; S227-F316 VanDerWaalsContact CB-CD1 3.47Å; V230-F316 HydrophobicContact CB-CD2 4.22Å; V230-F316 HydrophobicContact CB-CG 4.42Å; V230-F316 HydrophobicContact CG1-CB 3.98Å; V230-F316 HydrophobicContact CG1-CD2 3.97Å; V230-F316 HydrophobicContact CG1-CG 4.19Å; V230-F316 HydrophobicContact CG2-CD2 3.92Å; V230-F316 HydrophobicContact CG2-CE2 4.06Å; A257-F316 HydrophobicContact CB-CD1 4.45Å; G312-F316 WeakPolarHBondContact O-CB 3.45Å; G312-F316 PolarHBondContact O-N 3.21Å; G313-F316 PolarHBondContact O-N 3.28Å; G313-F316 VanDerWaalsContact O-N 3.13Å; S314-F316 PolarHBondContact O-N 3.45Å; F316-W319 HydrophobicContact CD2-CE3 4.01Å; F316-W319 HydrophobicContact CD2-CZ3 4.31Å; F316-W319 AromaticContact CE2-CE3 3.87Å; F316-W319 HydrophobicContact CE2-CE3 3.87Å; F316-W319 AromaticContact CE2-CZ3 3.71Å; F316-W319 HydrophobicContact CE2-CZ3 3.71Å; F316-W319 HydrophobicContact CZ-CE3 4.5Å; F316-W319 HydrophobicContact CZ-CZ3 4.23Å; F316-W319 PolarHBondContact O-N 3.26Å; F316-Y320 HydrophobicContact CE1-CD2 4.39Å; F316-Y320 HydrophobicContact CZ-CD2 4.23Å; F316-Y320 VanDerWaalsContact O-CB 3.28Å; F316-Y320 WeakPolarHBondContact O-CB 3.29Å; F316-Y320 PolarHBondContact O-N 3.23Å
317	G	96.6	Very high	94.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-47.8	174.5	0	0	0	0	0	112.9	A257 G313 S314 Y320 A321	A257-G317 VanDerWaalsContact O-CA 3.27Å; A257-G317 WeakPolarHBondContact O-CA 3.32Å; G313-G317 PolarHBondContact O-N 2.57Å; S314-G317 PolarHBondContact O-N 3.08Å; G317-Y320 PolarHBondContact O-N 3.15Å; G317-A321 PolarHBondContact O-N 2.6Å; G317-A321 VanDerWaalsContact O-N 3.11Å
318	V	95.7	Very high	94.1	Very high	30 Å²	30	45.1 Å²	45.1	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-47.9	174.9	178.7	0	0	0	0	111	M260 V287 I291 S314 L315 Y320 A321 F322	M260-V318 HydrophobicContact CB-CG2 4Å; M260-V318 HydrophobicContact CG-CG2 4.41Å; V287-V318 HydrophobicContact CG1-CG2 4.23Å; I291-V318 HydrophobicContact CD1-CG2 4.27Å; S314-V318 WeakPolarHBondContact O-CG2 3.46Å; S314-V318 PolarHBondContact O-N 3.03Å; L315-V318 PolarHBondContact O-N 3.09Å; V318-Y320 VanDerWaalsContact C-N 3.33Å; V318-Y320 PolarHBondContact O-N 3.5Å; V318-A321 WeakPolarHBondContact O-CB 3.4Å; V318-A321 PolarHBondContact O-N 2.88Å; V318-A321 VanDerWaalsContact O-N 3.15Å; V318-F322 HydrophobicContact CG1-CD2 4.03Å; V318-F322 HydrophobicContact CG1-CE2 3.78Å; V318-F322 VanDerWaalsContact O-CD2 3.3Å; V318-F322 WeakPolarHBondContact O-CD2 3.36Å; V318-F322 PolarHBondContact O-N 3.36Å
319	W	96.6	Very high	93.9	Very high	105 Å²	105	50.3 Å²	50.3	40%	0.398	23%	0.227	S	C	.	.	H	α-helix	trans	-58.8	-42.8	177.6	173.5	82.6	0	0	0	112.4	L315 F316 A321 F322 Y323	L315-W319 WeakPolarHBondContact O-CB 3.3Å; L315-W319 PolarHBondContact O-N 2.83Å; F316-W319 HydrophobicContact CD2-CE3 4.01Å; F316-W319 HydrophobicContact CD2-CZ3 4.31Å; F316-W319 AromaticContact CE2-CE3 3.87Å; F316-W319 HydrophobicContact CE2-CE3 3.87Å; F316-W319 AromaticContact CE2-CZ3 3.71Å; F316-W319 HydrophobicContact CE2-CZ3 3.71Å; F316-W319 HydrophobicContact CZ-CE3 4.5Å; F316-W319 HydrophobicContact CZ-CZ3 4.23Å; F316-W319 PolarHBondContact O-N 3.26Å; W319-A321 VanDerWaalsContact C-N 3.28Å; W319-A321 PolarHBondContact O-N 3.03Å; W319-F322 PolarHBondContact O-N 3.01Å; W319-Y323 AromaticContact CD1-CD2 3.6Å; W319-Y323 HydrophobicContact CG-CD2 4.31Å; W319-Y323 AromaticContact NE1-CD2 3.85Å; W319-Y323 WeakPolarHBondContact O-CD2 3.39Å; W319-Y323 PolarHBondContact O-N 3.4Å
320	Y	96.2	Very high	93.6	Very high	17 Å²	17	59.1 Å²	59.1	7%	0.067	26%	0.258	C	S	.	.	I	π-helix	trans	-66.8	-29.7	179.1	-162.2	-96.9	0	0	0	112.3	Q219 F223 Y261 F316 G317 V318 G324 E325	Q219-Y320 VanDerWaalsContact CG-OH 3.26Å; Q219-Y320 WeakPolarHBondContact CG-OH 3.12Å; Q219-Y320 PolarHBondContact NE2-OH 2.87Å; Q219-Y320 VanDerWaalsContact NE2-OH 3.08Å; F223-Y320 HydrophobicContact CB-CE1 4.35Å; F223-Y320 AromaticContact CD2-CD1 3.35Å; F223-Y320 HydrophobicContact CD2-CD1 3.35Å; F223-Y320 AromaticContact CD2-CD2 3.93Å; F223-Y320 HydrophobicContact CD2-CD2 3.93Å; F223-Y320 AromaticContact CD2-CE1 3.61Å; F223-Y320 HydrophobicContact CD2-CE1 3.61Å; F223-Y320 HydrophobicContact CD2-CE2 4.17Å; F223-Y320 AromaticContact CD2-CG 3.53Å; F223-Y320 HydrophobicContact CD2-CG 3.53Å; F223-Y320 AromaticContact CE2-CD1 3.62Å; F223-Y320 HydrophobicContact CE2-CD1 3.62Å; F223-Y320 HydrophobicContact CE2-CD2 4.36Å; F223-Y320 HydrophobicContact CE2-CE1 4.33Å; F223-Y320 AromaticContact CE2-CG 3.64Å; F223-Y320 HydrophobicContact CE2-CG 3.64Å; F223-Y320 HydrophobicContact CG-CD1 4.34Å; F223-Y320 HydrophobicContact CG-CE1 4.25Å; Y261-Y320 AromaticContact CD2-CD1 3.7Å; Y261-Y320 HydrophobicContact CD2-CD1 3.7Å; Y261-Y320 AromaticContact CE2-CD1 3.51Å; Y261-Y320 HydrophobicContact CE2-CD1 3.51Å; Y261-Y320 HydrophobicContact CE2-CE1 4.12Å; F316-Y320 HydrophobicContact CE1-CD2 4.39Å; F316-Y320 HydrophobicContact CZ-CD2 4.23Å; F316-Y320 VanDerWaalsContact O-CB 3.28Å; F316-Y320 WeakPolarHBondContact O-CB 3.29Å; F316-Y320 PolarHBondContact O-N 3.23Å; G317-Y320 PolarHBondContact O-N 3.15Å; V318-Y320 VanDerWaalsContact C-N 3.33Å; V318-Y320 PolarHBondContact O-N 3.5Å; Y320-G324 WeakPolarHBondContact O-CA 3.47Å; Y320-G324 PolarHBondContact O-N 3.08Å; Y320-E325 PolarHBondContact O-N 3.02Å
321	A	94	Very high	93.3	Very high	10 Å²	10	61.2 Å²	61.2	8%	0.083	27%	0.265	C	S	.	.	I	π-helix	trans	-67	-34.9	177.2	0	0	0	0	0	113.7	Y261 C264 K265 G317 V318 W319	Y261-A321 HydrophobicContact CD2-CB 3.74Å; Y261-A321 HydrophobicContact CE2-CB 4.18Å; C264-A321 HydrophobicContact CB-CB 3.43Å; C264-A321 VanDerWaalsContact CB-CB 3.43Å; K265-A321 PolarHBondContact NZ-O 3.47Å; G317-A321 PolarHBondContact O-N 2.6Å; G317-A321 VanDerWaalsContact O-N 3.11Å; V318-A321 WeakPolarHBondContact O-CB 3.4Å; V318-A321 PolarHBondContact O-N 2.88Å; V318-A321 VanDerWaalsContact O-N 3.15Å; W319-A321 VanDerWaalsContact C-N 3.28Å; W319-A321 PolarHBondContact O-N 3.03Å
322	F	93.3	Very high	92.9	Very high	127 Å²	127	61.6 Å²	61.6	56%	0.557	28%	0.276	S	S	*	.	I	π-helix	trans	-94	-34.5	-179.4	-68.5	-67.6	0	0	0	114.2	V318 W319	V318-F322 HydrophobicContact CG1-CD2 4.03Å; V318-F322 HydrophobicContact CG1-CE2 3.78Å; V318-F322 VanDerWaalsContact O-CD2 3.3Å; V318-F322 WeakPolarHBondContact O-CD2 3.36Å; V318-F322 PolarHBondContact O-N 3.36Å; W319-F322 PolarHBondContact O-N 3.01Å
323	Y	93.5	Very high	92.6	Very high	125 Å²	125	65.2 Å²	65.2	49%	0.49	30%	0.296	S	S	.	.	I	π-helix	trans	-120.7	-40	-171.9	-57.1	-77.8	0	0	0	113.5	W319 E325 K326 W327	W319-Y323 AromaticContact CD1-CD2 3.6Å; W319-Y323 HydrophobicContact CG-CD2 4.31Å; W319-Y323 AromaticContact NE1-CD2 3.85Å; W319-Y323 WeakPolarHBondContact O-CD2 3.39Å; W319-Y323 PolarHBondContact O-N 3.4Å; Y323-E325 VanDerWaalsContact C-N 3.32Å; Y323-E325 PolarHBondContact O-N 2.97Å; Y323-K326 WeakPolarHBondContact O-CB 3.5Å; Y323-K326 PolarHBondContact O-N 3.07Å; Y323-K326 VanDerWaalsContact O-N 3.11Å; Y323-W327 VanDerWaalsContact O-CD1 3.23Å; Y323-W327 PolarHBondContact O-N 3.32Å; Y323-W327 VanDerWaalsContact O-N 3.17Å
324	G	89.2	Confident	92.3	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.01	31%	0.306	C	S	.	.	I	π-helix	trans	-61.4	-35	-173.6	0	0	0	0	0	114.5	Y320 W327 W328	Y320-G324 WeakPolarHBondContact O-CA 3.47Å; Y320-G324 PolarHBondContact O-N 3.08Å; G324-W327 WeakPolarHBondContact O-CB 3.37Å; G324-W327 PolarHBondContact O-N 3.28Å; G324-W328 PolarHBondContact O-N 3.29Å
325	E	86.1	Confident	91.9	Very high	64 Å²	64	68.1 Å²	68.1	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-42.3	174	-163.3	-162.9	146	0	0	112.4	K265 Y320 Y323 W327 W328 Q329	K265-E325 WeakPolarHBondContact CE-OE2 3.4Å; K265-E325 IonicContact NZ-OE2 3.98Å; K265-E325 PolarHBondContact NZ-OE2 3.36Å; Y320-E325 PolarHBondContact O-N 3.02Å; Y323-E325 VanDerWaalsContact C-N 3.32Å; Y323-E325 PolarHBondContact O-N 2.97Å; E325-W327 PolarHBondContact O-N 2.85Å; E325-W328 CarbonylContact O-C 3.39Å; E325-W328 WeakPolarHBondContact O-CA 3.05Å; E325-W328 WeakPolarHBondContact O-CB 3.04Å; E325-W328 PolarHBondContact O-N 2.93Å; E325-Q329 WeakPolarHBondContact O-CG 3.08Å; E325-Q329 PolarHBondContact O-N 2.96Å; E325-Q329 PolarHBondContact OE1-NE2 3.23Å
326	K	89.2	Confident	91.6	Very high	127 Å²	127	66.6 Å²	66.6	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-62	-33.7	176.5	-61	176.8	-179	173.9	0	111.5	Y323 R330	Y323-K326 WeakPolarHBondContact O-CB 3.5Å; Y323-K326 PolarHBondContact O-N 3.07Å; Y323-K326 VanDerWaalsContact O-N 3.11Å; K326-R330 WeakPolarHBondContact O-CG 3.3Å; K326-R330 PolarHBondContact O-N 2.94Å
327	W	86.9	Confident	91.2	Very high	139 Å²	139	70.3 Å²	70.3	53%	0.527	32%	0.323	S	S	.	.	H	α-helix	trans	-69.4	-42.8	172.2	-75.1	45.8	0	0	0	111.5	F89 Y323 G324 E325 Q329 R330	F89-W327 WeakPolarHBondContact CZ-O 3.27Å; Y323-W327 VanDerWaalsContact O-CD1 3.23Å; Y323-W327 PolarHBondContact O-N 3.32Å; Y323-W327 VanDerWaalsContact O-N 3.17Å; G324-W327 WeakPolarHBondContact O-CB 3.37Å; G324-W327 PolarHBondContact O-N 3.28Å; E325-W327 PolarHBondContact O-N 2.85Å; W327-Q329 VanDerWaalsContact C-N 3.34Å; W327-Q329 PolarHBondContact O-N 2.73Å; W327-R330 PolarHBondContact O-N 2.9Å; W327-R330 VanDerWaalsContact O-N 3.15Å
328	W	91.6	Very high	90.9	Very high	11 Å²	11	72.4 Å²	72.4	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-35.1	175.2	-172.1	-105.2	0	0	0	113	F89 A92 Q219 A222 G324 E325 R330 R331	F89-W328 AromaticContact CD2-CE3 3.79Å; F89-W328 HydrophobicContact CD2-CE3 3.79Å; F89-W328 HydrophobicContact CD2-CZ3 4.1Å; F89-W328 AromaticContact CE2-CE3 3.63Å; F89-W328 HydrophobicContact CE2-CE3 3.63Å; F89-W328 HydrophobicContact CE2-CZ3 4.29Å; F89-W328 HydrophobicContact CZ-CE3 4.36Å; A92-W328 HydrophobicContact CB-CH2 3.73Å; A92-W328 HydrophobicContact CB-CZ3 4.15Å; Q219-W328 HydrophobicContact CB-CD2 4.05Å; Q219-W328 HydrophobicContact CB-CH2 4.15Å; Q219-W328 HydrophobicContact CB-CZ2 3.59Å; Q219-W328 HydrophobicContact CG-CD2 3.59Å; Q219-W328 HydrophobicContact CG-CE3 4.05Å; Q219-W328 HydrophobicContact CG-CG 3.86Å; Q219-W328 HydrophobicContact CG-CZ2 4.11Å; A222-W328 HydrophobicContact CB-CZ3 4.44Å; G324-W328 PolarHBondContact O-N 3.29Å; E325-W328 CarbonylContact O-C 3.39Å; E325-W328 WeakPolarHBondContact O-CA 3.05Å; E325-W328 WeakPolarHBondContact O-CB 3.04Å; E325-W328 PolarHBondContact O-N 2.93Å; W328-R330 VanDerWaalsContact C-N 3.29Å; W328-R330 PolarHBondContact O-N 3.38Å; W328-R331 VanDerWaalsContact CE2-CD 3.5Å; W328-R331 VanDerWaalsContact O-CB 3.28Å; W328-R331 WeakPolarHBondContact O-CB 3.45Å; W328-R331 WeakPolarHBondContact O-CD 3.49Å; W328-R331 WeakPolarHBondContact O-CG 3.15Å; W328-R331 PolarHBondContact O-N 2.89Å; W328-R331 PolarHBondContact O-NH1 2.04Å
329	Q	89.6	Confident	90.4	Very high	117 Å²	117	77 Å²	77	55%	0.547	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-37.4	172.4	-70.1	167.4	1.2	0	0	111.5	E325 W327 R331	E325-Q329 WeakPolarHBondContact O-CG 3.08Å; E325-Q329 PolarHBondContact O-N 2.96Å; E325-Q329 PolarHBondContact OE1-NE2 3.23Å; W327-Q329 VanDerWaalsContact C-N 3.34Å; W327-Q329 PolarHBondContact O-N 2.73Å; Q329-R331 PolarHBondContact O-N 3.01Å
330	R	89.5	Confident	90	Very high	196 Å²	196	78.9 Å²	78.9	74%	0.74	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	1.7	176.2	-69.9	179.1	177	-172.5	-1.9	115.3	K326 W327 W328 G332 V333	K326-R330 WeakPolarHBondContact O-CG 3.3Å; K326-R330 PolarHBondContact O-N 2.94Å; W327-R330 PolarHBondContact O-N 2.9Å; W327-R330 VanDerWaalsContact O-N 3.15Å; W328-R330 VanDerWaalsContact C-N 3.29Å; W328-R330 PolarHBondContact O-N 3.38Å; R330-G332 PolarHBondContact O-N 3.49Å; R330-V333 PolarHBondContact O-N 3.34Å
331	R	90.7	Very high	89.6	Confident	61 Å²	61	81.4 Å²	81.4	23%	0.23	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.1	-178.9	76.8	-165.3	176.3	-65.8	-2	115.4	F89 Q96 W328 Q329 V333 V334 V335	F89-R331 HydrophobicContact CE1-CB 4.17Å; F89-R331 HydrophobicContact CZ-CB 3.92Å; Q96-R331 VanDerWaalsContact OE1-CZ 3.27Å; W328-R331 VanDerWaalsContact CE2-CD 3.5Å; W328-R331 VanDerWaalsContact O-CB 3.28Å; W328-R331 WeakPolarHBondContact O-CB 3.45Å; W328-R331 WeakPolarHBondContact O-CD 3.49Å; W328-R331 WeakPolarHBondContact O-CG 3.15Å; W328-R331 PolarHBondContact O-N 2.89Å; W328-R331 PolarHBondContact O-NH1 2.04Å; Q329-R331 PolarHBondContact O-N 3.01Å; R331-V333 PolarHBondContact O-N 3.35Å; R331-V334 WeakPolarHBondContact O-CB 3.46Å; R331-V334 PolarHBondContact O-N 2.67Å; R331-V335 PolarHBondContact O-N 3.06Å
332	G	87.2	Confident	89	Confident	35 Å²	35	83.9 Å²	83.9	36%	0.361	39%	0.393	S	S	.	.	H	α-helix	trans	-49.7	-40.8	173.1	0	0	0	0	0	112.9	R330 V334 V335 D336	R330-G332 PolarHBondContact O-N 3.49Å; G332-V334 VanDerWaalsContact C-N 3.27Å; G332-V334 PolarHBondContact O-N 3.28Å; G332-V335 CarbonylContact O-C 3.53Å; G332-V335 WeakPolarHBondContact O-CA 3.48Å; G332-V335 WeakPolarHBondContact O-CB 3.41Å; G332-V335 PolarHBondContact O-N 3.48Å; G332-D336 PolarHBondContact O-N 3.47Å
333	V	90.1	Very high	87.7	Confident	88 Å²	88	81.6 Å²	81.6	53%	0.533	39%	0.39	S	S	.	.	H	α-helix	trans	-57.4	-38.6	177.1	-176	0	0	0	0	112.4	R330 R331 D336 E337	R330-V333 PolarHBondContact O-N 3.34Å; R331-V333 PolarHBondContact O-N 3.35Å; V333-D336 PolarHBondContact O-N 2.82Å; V333-E337 PolarHBondContact O-N 3.05Å; V333-E337 VanDerWaalsContact O-N 3.1Å
334	V	90.5	Very high	86	Confident	35 Å²	35	80.3 Å²	80.3	21%	0.212	40%	0.4	C	S	.	.	H	α-helix	trans	-70.4	-37.6	177.2	-179.5	0	0	0	0	111.1	F89 V90 R331 G332 Y338	F89-V334 HydrophobicContact CE1-CG2 4.12Å; V90-V334 HydrophobicContact CB-CG1 4.26Å; V90-V334 HydrophobicContact CG1-CG1 3.87Å; V90-V334 HydrophobicContact CG2-CG1 4.08Å; V90-V334 HydrophobicContact CG2-CG2 4.45Å; R331-V334 WeakPolarHBondContact O-CB 3.46Å; R331-V334 PolarHBondContact O-N 2.67Å; G332-V334 VanDerWaalsContact C-N 3.27Å; G332-V334 PolarHBondContact O-N 3.28Å; V334-Y338 VanDerWaalsContact O-CB 3.3Å; V334-Y338 WeakPolarHBondContact O-CB 3.44Å; V334-Y338 PolarHBondContact O-N 2.94Å
335	V	89.6	Confident	84.3	Confident	26 Å²	26	82.4 Å²	82.4	16%	0.158	42%	0.417	C	S	.	.	H	α-helix	trans	-69.1	-37.3	176.8	176.1	0	0	0	0	111.1	Y97 R331 G332 Y338 R339	Y97-V335 HydrophobicContact CD1-CG1 4.36Å; Y97-V335 HydrophobicContact CD2-CG1 3.34Å; Y97-V335 HydrophobicContact CE2-CG1 3.79Å; Y97-V335 HydrophobicContact CG-CG1 3.66Å; R331-V335 PolarHBondContact O-N 3.06Å; G332-V335 CarbonylContact O-C 3.53Å; G332-V335 WeakPolarHBondContact O-CA 3.48Å; G332-V335 WeakPolarHBondContact O-CB 3.41Å; G332-V335 PolarHBondContact O-N 3.48Å; V335-Y338 PolarHBondContact O-N 3.3Å; V335-R339 VanDerWaalsContact O-CB 3.25Å; V335-R339 WeakPolarHBondContact O-CB 3.38Å; V335-R339 PolarHBondContact O-N 3.17Å
336	D	89.4	Confident	82.7	Confident	59 Å²	59	82.1 Å²	82.1	32%	0.316	42%	0.422	S	S	.	.	H	α-helix	trans	-68.9	-43.7	177.5	-75.1	-40.4	0	0	0	112.6	G332 V333 Y338 R339 K340	G332-D336 PolarHBondContact O-N 3.47Å; V333-D336 PolarHBondContact O-N 2.82Å; D336-Y338 VanDerWaalsContact C-N 3.33Å; D336-R339 PolarHBondContact O-N 3.15Å; D336-R339 IonicContact OD1-CZ 2.75Å; D336-R339 IonicContact OD1-NE 3.54Å; D336-R339 PolarHBondContact OD1-NE 3.45Å; D336-R339 IonicContact OD1-NH2 2.71Å; D336-R339 PolarHBondContact OD1-NH2 3.11Å; D336-K340 VanDerWaalsContact O-CG 3.3Å; D336-K340 WeakPolarHBondContact O-CG 3.47Å; D336-K340 PolarHBondContact O-N 3.31Å
337	E	89.6	Confident	80.6	Confident	103 Å²	103	80.3 Å²	80.3	48%	0.481	42%	0.421	S	S	.	.	H	α-helix	trans	-65.3	-36.6	172.3	-69	-52.1	130.8	0	0	112.2	V333 K340 A341	V333-E337 PolarHBondContact O-N 3.05Å; V333-E337 VanDerWaalsContact O-N 3.1Å; E337-K340 PolarHBondContact O-N 2.65Å; E337-K340 WeakPolarHBondContact OE1-CD 3.39Å; E337-K340 WeakPolarHBondContact OE1-CE 3.46Å; E337-K340 IonicContact OE1-NZ 3.17Å; E337-K340 PolarHBondContact OE1-NZ 2.71Å; E337-A341 WeakPolarHBondContact O-CB 3.2Å; E337-A341 PolarHBondContact O-N 3.47Å
338	Y	89.4	Confident	78.5	Confident	45 Å²	45	81.3 Å²	81.3	18%	0.176	44%	0.437	C	S	.	.	H	α-helix	trans	-63.7	-41	172.7	-178.3	-102.4	0	0	0	112.3	I94 Y97 E98 V334 V335 D336 A341 N342	I94-Y338 HydrophobicContact CD1-CD2 3.63Å; I94-Y338 HydrophobicContact CD1-CE2 4.08Å; I94-Y338 HydrophobicContact CD1-CG 4.22Å; I94-Y338 HydrophobicContact CG1-CD2 3.82Å; I94-Y338 HydrophobicContact CG1-CE2 4.29Å; I94-Y338 HydrophobicContact CG1-CG 3.93Å; I94-Y338 HydrophobicContact CG2-CD1 4.26Å; I94-Y338 HydrophobicContact CG2-CD2 3.97Å; I94-Y338 HydrophobicContact CG2-CE1 3.9Å; I94-Y338 HydrophobicContact CG2-CE2 3.58Å; I94-Y338 HydrophobicContact CG2-CG 4.29Å; Y97-Y338 AromaticContact CD1-CD1 3.84Å; Y97-Y338 HydrophobicContact CD1-CD1 3.84Å; Y97-Y338 AromaticContact CD1-CE1 3.9Å; Y97-Y338 HydrophobicContact CD1-CE1 3.9Å; Y97-Y338 AromaticContact CE1-CD1 3.98Å; Y97-Y338 HydrophobicContact CE1-CD1 3.98Å; Y97-Y338 HydrophobicContact CE1-CE1 4.05Å; E98-Y338 HydrophobicContact CG-CE1 4.5Å; E98-Y338 VanDerWaalsContact OE1-CE1 3.25Å; E98-Y338 WeakPolarHBondContact OE1-CE1 3.49Å; E98-Y338 VanDerWaalsContact OE1-CZ 3.31Å; E98-Y338 PolarHBondContact OE1-OH 3.34Å; V334-Y338 VanDerWaalsContact O-CB 3.3Å; V334-Y338 WeakPolarHBondContact O-CB 3.44Å; V334-Y338 PolarHBondContact O-N 2.94Å; V335-Y338 PolarHBondContact O-N 3.3Å; D336-Y338 VanDerWaalsContact C-N 3.33Å; Y338-A341 PolarHBondContact O-N 3.39Å; Y338-N342 WeakPolarHBondContact CE2-ND2 3.42Å; Y338-N342 PolarHBondContact O-N 2.87Å
339	R	86.1	Confident	76	Confident	126 Å²	126	88.6 Å²	88.6	48%	0.475	48%	0.476	S	S	.	.	H	α-helix	trans	-65.2	-42.3	176	178	167.7	64.8	126.2	-7.7	112	V335 D336 A341 N342	V335-R339 VanDerWaalsContact O-CB 3.25Å; V335-R339 WeakPolarHBondContact O-CB 3.38Å; V335-R339 PolarHBondContact O-N 3.17Å; D336-R339 PolarHBondContact O-N 3.15Å; D336-R339 IonicContact OD1-CZ 2.75Å; D336-R339 IonicContact OD1-NE 3.54Å; D336-R339 PolarHBondContact OD1-NE 3.45Å; D336-R339 IonicContact OD1-NH2 2.71Å; D336-R339 PolarHBondContact OD1-NH2 3.11Å; R339-A341 VanDerWaalsContact C-N 3.3Å; R339-A341 PolarHBondContact O-N 2.88Å; R339-N342 CarbonylContact O-C 3.53Å; R339-N342 PolarHBondContact O-N 3.41Å
340	K	88.5	Confident	73.4	Confident	145 Å²	145	86.7 Å²	86.7	63%	0.63	48%	0.48	S	S	*	.	H	α-helix	trans	-61.5	-36.9	171.7	-71.7	169.6	-174.5	178.2	0	112.2	D336 E337	D336-K340 VanDerWaalsContact O-CG 3.3Å; D336-K340 WeakPolarHBondContact O-CG 3.47Å; D336-K340 PolarHBondContact O-N 3.31Å; E337-K340 PolarHBondContact O-N 2.65Å; E337-K340 WeakPolarHBondContact OE1-CD 3.39Å; E337-K340 WeakPolarHBondContact OE1-CE 3.46Å; E337-K340 IonicContact OE1-NZ 3.17Å; E337-K340 PolarHBondContact OE1-NZ 2.71Å
341	A	86.8	Confident	70.7	Confident	69 Å²	69	84.3 Å²	84.3	57%	0.57	49%	0.488	S	S	*	.	H	α-helix	trans	-75.8	-32.3	179.1	0	0	0	0	0	113.6	E337 Y338 R339 P343	E337-A341 WeakPolarHBondContact O-CB 3.2Å; E337-A341 PolarHBondContact O-N 3.47Å; Y338-A341 PolarHBondContact O-N 3.39Å; R339-A341 VanDerWaalsContact C-N 3.3Å; R339-A341 PolarHBondContact O-N 2.88Å; A341-P343 VanDerWaalsContact C-CD 3.45Å; A341-P343 WeakPolarHBondContact O-CD 3.49Å
342	N	81.2	Confident	68.2	Low	63 Å²	63	85.5 Å²	85.5	34%	0.337	51%	0.51	S	S	.	.			trans	-121	66.9	-178.6	-68	-53.6	0	0	0	112.1	Y338 R339 S344 A345	Y338-N342 WeakPolarHBondContact CE2-ND2 3.42Å; Y338-N342 PolarHBondContact O-N 2.87Å; R339-N342 CarbonylContact O-C 3.53Å; R339-N342 PolarHBondContact O-N 3.41Å; N342-S344 PolarHBondContact O-N 2.89Å; N342-S344 VanDerWaalsContact O-N 3.08Å; N342-A345 WeakPolarHBondContact O-CB 3.45Å; N342-A345 PolarHBondContact O-N 3.45Å
343	P	67.7	Low	65.7	Low	78 Å²	78	89.3 Å²	89.3	51%	0.506	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-59.5	-25.8	-177.5	24.2	-34.6	0	0	0	113.4	A341 A345 S346 T347	A341-P343 VanDerWaalsContact C-CD 3.45Å; A341-P343 WeakPolarHBondContact O-CD 3.49Å; P343-A345 PolarHBondContact O-N 3.01Å; P343-A345 VanDerWaalsContact O-N 3.16Å; P343-S346 PolarHBondContact O-N 2.87Å; P343-S346 PolarHBondContact O-OG 3.22Å; P343-T347 PolarHBondContact O-OG1 3.15Å
344	S	57.6	Low	63	Low	99 Å²	99	93.3 Å²	93.3	69%	0.692	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-61.3	-16.6	175.1	55	0	0	0	0	114.7	N342 S346 T347	N342-S344 PolarHBondContact O-N 2.89Å; N342-S344 VanDerWaalsContact O-N 3.08Å; S344-S346 PolarHBondContact O-N 3.18Å; S344-T347 WeakPolarHBondContact CA-OG1 3.5Å
345	A	53.7	Low	60.2	Low	44 Å²	44	97.3 Å²	97.3	36%	0.364	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-82.1	2.6	172.9	0	0	0	0	0	113.3	N342 P343	N342-A345 WeakPolarHBondContact O-CB 3.45Å; N342-A345 PolarHBondContact O-N 3.45Å; P343-A345 PolarHBondContact O-N 3.01Å; P343-A345 VanDerWaalsContact O-N 3.16Å
346	S	51.2	Low	57.9	Low	58 Å²	58	104.4 Å²	104.4	41%	0.406	60%	0.603	S	S	.	*	S	Bend	trans	-132.1	0.4	-173.6	67.2	0	0	0	0	115.2	P343 S344 D348	P343-S346 PolarHBondContact O-N 2.87Å; P343-S346 PolarHBondContact O-OG 3.22Å; S344-S346 PolarHBondContact O-N 3.18Å; S346-D348 VanDerWaalsContact C-N 3.32Å; S346-D348 PolarHBondContact O-N 3.5Å
347	T	44.9	Very low	55.4	Low	89 Å²	89	106.9 Å²	106.9	55%	0.546	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-82.5	3	-162.5	-29	0	0	0	0	115.5	P343 S344 L349	P343-T347 PolarHBondContact O-OG1 3.15Å; S344-T347 WeakPolarHBondContact CA-OG1 3.5Å; T347-L349 PolarHBondContact O-N 3.02Å
348	D	42.6	Very low	52.9	Low	161 Å²	161	109 Å²	109	86%	0.861	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-84.8	-0.2	-178.2	-65.2	-44	0	0	0	114.8	S346	S346-D348 VanDerWaalsContact C-N 3.32Å; S346-D348 PolarHBondContact O-N 3.5Å
349	L	40.1	Very low	50.2	Low	163 Å²	163	112.8 Å²	112.8	85%	0.853	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-138.7	28.4	-174	-149.1	75.1	0	0	0	114.7	T347	T347-L349 PolarHBondContact O-N 3.02Å
350	A	35.8	Very low	48	Very low	77 Å²	77	111.1 Å²	111.1	64%	0.636	68%	0.684	S	S	*	*			trans	-137.4	68.7	-177.4	0	0	0	0	0	112.7
351	T	32.7	Very low	45.8	Very low	147 Å²	147	110.8 Å²	110.8	90%	0.902	69%	0.688	S	S	*	*			trans	-123.6	45.7	175.4	43	0	0	0	0	113.2
352	A	37.3	Very low	43.5	Very low	85 Å²	85	111.1 Å²	111.1	70%	0.702	69%	0.691	S	S	*	*	S	Bend	trans	-145	147.9	160.6	0	0	0	0	0	109.1
353	S	35.8	Very low	41.5	Very low	116 Å²	116	115.9 Å²	115.9	81%	0.811	71%	0.711	S	S	*	*			trans	-2.2	133.3	167.2	52	0	0	0	0	117.9
354	E	32.7	Very low	40.6	Very low	172 Å²	172	121.9 Å²	121.9	80%	0.804	72%	0.724	S	S	*	*			cis	-163.2	157.3	33.4	-165.7	166.4	-152.5	0	0	111.6
355	P	32.5	Very low	39.8	Very low	118 Å²	118	124.6 Å²	124.6	77%	0.766	73%	0.729	S	S	*	*			trans	-114.9	110.6	-171.6	36.5	-23.8	0	0	0	115
356	Q	40.2	Very low	39.4	Very low	175 Å²	175	129.1 Å²	129.1	82%	0.818	74%	0.743	S	S	*	*			trans	-140.5	148.2	169.3	-69.9	-159.6	16.2	0	0	116.2
357	S	36.7	Very low	39.2	Very low	111 Å²	111	133.8 Å²	133.8	78%	0.776	76%	0.756	S	S	*	*			trans	48	104.6	160.1	58.2	0	0	0	0	120
358	V	36.8	Very low	39.1	Very low	149 Å²	149	136.5 Å²	136.5	90%	0.903	77%	0.766	S	S	*	*			trans	-62.3	138.5	152.7	-83.3	0	0	0	0	111.8
359	C	33.2	Very low	39.2	Very low	123 Å²	123	134.7 Å²	134.7	83%	0.831	75%	0.753	S	S	*	*			trans	-114.1	155.9	160.2	-104.1	0	0	0	0	110.9
360	S	39.1	Very low	39.4	Very low	92 Å²	92	132.4 Å²	132.4	64%	0.643	74%	0.741	S	S	*	*			trans	-80.4	164	-156.1	81	0	0	0	0	115.7	A362	S360-A362 PolarHBondContact O-N 3.22Å
361	L	42.8	Very low	39.5	Very low	137 Å²	137	134.3 Å²	134.3	72%	0.717	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-68.1	1.9	-172.4	-154.4	121.8	0	0	0	115.4
362	A	38.3	Very low	39.6	Very low	77 Å²	77	136 Å²	136	64%	0.636	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-77.1	-27.3	-167.1	0	0	0	0	0	115.4	S360 R364	S360-A362 PolarHBondContact O-N 3.22Å; A362-R364 PolarHBondContact O-N 3.45Å; A362-R364 VanDerWaalsContact O-N 3.17Å
363	E	40.8	Very low	39.6	Very low	162 Å²	162	137 Å²	137	76%	0.757	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-73.3	-7.5	-173.8	-62.9	-176.5	125	0	0	114.3	L365 H366	E363-L365 PolarHBondContact O-N 2.86Å; E363-H366 PolarHBondContact O-N 3.23Å
364	R	47.4	Very low	39.6	Very low	205 Å²	205	137.7 Å²	137.7	77%	0.774	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-69.2	10	-171.7	-66.7	-171.6	170.6	-151	-5.5	116	A362	A362-R364 PolarHBondContact O-N 3.45Å; A362-R364 VanDerWaalsContact O-N 3.17Å
365	L	42.2	Very low	39.4	Very low	155 Å²	155	137.3 Å²	137.3	81%	0.812	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-112	3.5	177.7	-75.6	170	0	0	0	114.7	E363 F367	E363-L365 PolarHBondContact O-N 2.86Å; L365-F367 PolarHBondContact O-N 2.94Å
366	H	44.3	Very low	39.7	Very low	139 Å²	139	136.3 Å²	136.3	64%	0.644	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-67	-1.1	179	-129.7	-118.7	0	0	0	115.2	E363 L368 H369	E363-H366 PolarHBondContact O-N 3.23Å; H366-L368 PolarHBondContact O-N 3.26Å; H366-H369 PolarHBondContact O-N 3.37Å; H366-H369 VanDerWaalsContact O-N 3.14Å
367	F	46	Very low	39.2	Very low	156 Å²	156	135 Å²	135	68%	0.684	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-62	-16.6	-172.8	-144.5	-90.1	0	0	0	115.1	L365	L365-F367 PolarHBondContact O-N 2.94Å
368	L	43.6	Very low	39.2	Very low	146 Å²	146	135 Å²	135	76%	0.764	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-90.7	-23.7	177.6	-75.4	168.8	0	0	0	113.9	H366 L370	H366-L368 PolarHBondContact O-N 3.26Å; L368-L370 VanDerWaalsContact C-N 3.25Å; L368-L370 PolarHBondContact O-N 2.69Å
369	H	45.5	Very low	38.7	Very low	123 Å²	123	136 Å²	136	57%	0.569	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-75.1	-17	-177.1	-128.1	-57.1	0	0	0	113.3	H366 F371 F372	H366-H369 PolarHBondContact O-N 3.37Å; H366-H369 VanDerWaalsContact O-N 3.14Å; H369-F371 PolarHBondContact O-N 3.38Å; H369-F372 CarbonylContact O-C 3.54Å; H369-F372 PolarHBondContact O-N 2.69Å
370	L	44	Very low	39	Very low	115 Å²	115	136.3 Å²	136.3	60%	0.602	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-66.7	-15.3	179	-71	169.5	0	0	0	114.3	L368	L368-L370 VanDerWaalsContact C-N 3.25Å; L368-L370 PolarHBondContact O-N 2.69Å
371	F	38.5	Very low	38.7	Very low	117 Å²	117	134.8 Å²	134.8	51%	0.513	72%	0.724	S	S	.	*	G	3₁₀ helix	trans	-82.6	-22.9	178.8	-68.8	-80.2	0	0	0	113.5	H369	H369-F371 PolarHBondContact O-N 3.38Å
372	F	33.9	Very low	38	Very low	182 Å²	182	138.6 Å²	138.6	80%	0.798	74%	0.735	S	S	*	*			trans	-150.7	100.2	177.4	-60.3	-82.3	0	0	0	112.4	H369	H369-F372 CarbonylContact O-C 3.54Å; H369-F372 PolarHBondContact O-N 2.69Å
373	P	37.8	Very low	37.5	Very low	107 Å²	107	140.1 Å²	140.1	70%	0.695	74%	0.74	S	S	*	*			trans	-114.4	134.8	157.5	10	11.3	0	0	0	111.3
374	V	36	Very low	37.3	Very low	130 Å²	130	138.3 Å²	138.3	79%	0.788	74%	0.742	S	S	*	*			trans	-77.4	151.8	173.4	176.3	0	0	0	0	109.8	S376	V374-S376 PolarHBondContact O-N 2.77Å
375	D	28.2	Very low	36.3	Very low	165 Å²	165	134.4 Å²	134.4	88%	0.882	75%	0.746	S	S	*	*			trans	-58.3	123.3	171.5	-79.6	-45.9	0	0	0	110.4
376	S	37.3	Very low	36	Very low	96 Å²	96	134.5 Å²	134.5	67%	0.671	75%	0.747	S	S	*	*			trans	-146.4	96.5	175.8	-71.1	0	0	0	0	108.4	V374 V378	V374-S376 PolarHBondContact O-N 2.77Å; S376-V378 PolarHBondContact O-N 3.29Å
377	T	30	Very low	35.6	Very low	149 Å²	149	136.6 Å²	136.6	91%	0.914	76%	0.755	S	S	*	*			trans	-65.9	109.2	174.3	47.2	0	0	0	0	109.5
378	V	36.7	Very low	35	Very low	110 Å²	110	137.1 Å²	137.1	67%	0.667	76%	0.759	S	S	*	*			trans	-127.9	109.2	172	-178	0	0	0	0	107.9	S376 V380	S376-V378 PolarHBondContact O-N 3.29Å; V378-V380 HydrophobicContact CG1-CG2 4.07Å
379	D	28	Very low	34.4	Very low	170 Å²	170	139.9 Å²	139.9	91%	0.909	77%	0.765	S	S	*	*			trans	-62.3	130.2	168	-79.5	-64.3	0	0	0	110.1
380	V	37.9	Very low	33.7	Very low	129 Å²	129	141.8 Å²	141.8	78%	0.782	77%	0.774	S	S	*	*			trans	-130.5	115.7	175.8	-178.9	0	0	0	0	111.2	V378	V378-V380 HydrophobicContact CG1-CG2 4.07Å
381	G	33.5	Very low	33.4	Very low	61 Å²	61	140.6 Å²	140.6	63%	0.629	78%	0.781	S	S	*	*			trans	74.9	64.8	135.5	0	0	0	0	0	117.3	C383	G381-C383 PolarHBondContact O-N 2.84Å
382	K	28.3	Very low	33	Very low	216 Å²	216	144.2 Å²	144.2	94%	0.939	80%	0.799	S	S	*	*			trans	-55.3	99.5	159.2	-175.5	176.6	-173.3	172.8	0	110
383	C	27.7	Very low	32.9	Very low	110 Å²	110	142.7 Å²	142.7	74%	0.743	80%	0.799	S	S	*	*			trans	-74.5	155.5	174.9	-75.1	0	0	0	0	111.6	G381	G381-C383 PolarHBondContact O-N 2.84Å
384	P	35.5	Very low	32.7	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	80%	0.797	S	S	*	*			trans	-73	148.5	-170.8	-16.2	31.8	0	0	0	113	D386	P384-D386 PolarHBondContact O-N 3.43Å
385	S	28.3	Very low	32.3	Very low	123 Å²	123	144.5 Å²	144.5	86%	0.86	80%	0.802	S	S	*	*			trans	-68.8	97.3	166.5	-54.7	0	0	0	0	109.8
386	D	35.5	Very low	32.7	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-78	152.5	168.7	-148.4	-16.4	0	0	0	110.8	P384	P384-D386 PolarHBondContact O-N 3.43Å
387	K	34.7	Very low	32.3	Very low	184 Å²	184	141.8 Å²	141.8	80%	0.8	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-85.3	138.5	-151.8	-67.4	171.1	-177.8	171.9	0	113	K389	K387-K389 PolarHBondContact O-N 3.12Å
388	Q	34.2	Very low	32.3	Very low	166 Å²	166	139.6 Å²	139.6	78%	0.776	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-51.6	123.1	168.9	-68.5	167.7	-79.2	0	0	110.7	E390	Q388-E390 HydrophobicContact CB-CG 4.4Å
389	K	30.9	Very low	32.1	Very low	204 Å²	204	142.6 Å²	142.6	89%	0.887	78%	0.779	S	S	*	*			trans	-95.3	89	151.3	-82.8	-178.6	175.6	172.1	0	107.3	K387 A391	K387-K389 PolarHBondContact O-N 3.12Å; K389-A391 PolarHBondContact O-N 3.47Å
390	E	31.4	Very low	32.2	Very low	164 Å²	164	142 Å²	142	77%	0.766	78%	0.776	S	S	*	*			trans	-62.7	107.8	165.7	-72.7	178.2	115	0	0	108.5	Q388 E392	Q388-E390 HydrophobicContact CB-CG 4.4Å; E390-E392 PolarHBondContact O-N 3.19Å; E390-E392 VanDerWaalsContact O-N 3.17Å
391	A	36	Very low	31.9	Very low	90 Å²	90	143.9 Å²	143.9	74%	0.744	78%	0.776	S	S	*	*			trans	-81	88.8	169.6	0	0	0	0	0	107.9	K389 L393	K389-A391 PolarHBondContact O-N 3.47Å; A391-L393 PolarHBondContact O-N 2.84Å
392	E	31.7	Very low	31.9	Very low	192 Å²	192	147.3 Å²	147.3	90%	0.897	79%	0.785	S	S	*	*			trans	-53	104.6	-179.9	-165.5	174.8	-154.6	0	0	110.6	E390	E390-E392 PolarHBondContact O-N 3.19Å; E390-E392 VanDerWaalsContact O-N 3.17Å
393	L	31.4	Very low	32.1	Very low	151 Å²	151	142.5 Å²	142.5	79%	0.791	77%	0.769	S	S	*	*			trans	-72.6	126.9	-177.2	-97.6	151.4	0	0	0	109.6	A391 I395	A391-L393 PolarHBondContact O-N 2.84Å; L393-I395 PolarHBondContact O-N 3.22Å
394	P	32.4	Very low	32.3	Very low	100 Å²	100	145.1 Å²	145.1	65%	0.649	77%	0.77	S	S	*	*			trans	-66.7	129.7	-179.9	26.8	-34.2	0	0	0	110.8	V396	P394-V396 PolarHBondContact O-N 3.28Å
395	I	29.1	Very low	32.3	Very low	174 Å²	174	145.9 Å²	145.9	89%	0.892	77%	0.767	S	S	*	*			trans	-67.8	99.2	170	-57.4	172.7	0	0	0	107.9	L393	L393-I395 PolarHBondContact O-N 3.22Å
396	V	35.8	Very low	32.9	Very low	125 Å²	125	145 Å²	145	76%	0.758	76%	0.757	S	S	*	*			trans	-92.1	115.7	171.3	179.8	0	0	0	0	108	P394	P394-V396 PolarHBondContact O-N 3.28Å
397	E	29.2	Very low	33.1	Very low	80 Å²	80	144.1 Å²	144.1	37%	0.374	75%	0.752	S	S	.	*			trans	-61	132.9	177.9	-163.6	169.3	-155.5	0	0	109.8	Q399 I802 T804	E397-Q399 PolarHBondContact O-N 3.49Å; E397-I802 WeakPolarHBondContact OE2-CG1 3.32Å; E397-I802 WeakPolarHBondContact OE2-CG2 3.32Å; E397-T804 PolarHBondContact OE1-N 2.88Å; E397-T804 VanDerWaalsContact OE1-N 3.16Å; E397-T804 PolarHBondContact OE1-OG1 2.98Å
398	S	30.9	Very low	33.7	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	74%	0.739	S	S	*	*			trans	-73.6	90.1	-170.4	57.1	0	0	0	0	111.8	N400	S398-N400 PolarHBondContact O-N 3.31Å; S398-N400 VanDerWaalsContact O-N 3.09Å
399	Q	31.5	Very low	34.6	Very low	173 Å²	173	137.7 Å²	137.7	81%	0.808	73%	0.728	S	S	*	*			trans	-69.7	102.8	170	-68.4	-172.2	-45.3	0	0	109.7	E397 E401	E397-Q399 PolarHBondContact O-N 3.49Å; Q399-E401 PolarHBondContact O-N 3.5Å
400	N	30.8	Very low	35.8	Very low	157 Å²	157	133.2 Å²	133.2	84%	0.84	72%	0.719	S	S	*	*			trans	-71.2	71.1	168.8	-80.2	-12.8	0	0	0	110.2	S398 T402	S398-N400 PolarHBondContact O-N 3.31Å; S398-N400 VanDerWaalsContact O-N 3.09Å; N400-T402 PolarHBondContact O-N 2.95Å
401	E	31.2	Very low	37.1	Very low	169 Å²	169	130.9 Å²	130.9	79%	0.79	71%	0.712	S	S	*	*			trans	-83.1	99.3	159.5	-71.4	-166.9	134.7	0	0	108.5	Q399 L403	Q399-E401 PolarHBondContact O-N 3.5Å; E401-L403 PolarHBondContact O-N 2.99Å
402	T	33.7	Very low	38.4	Very low	133 Å²	133	128.6 Å²	128.6	82%	0.816	69%	0.686	S	S	*	*			trans	-55	111.4	163.6	11.2	0	0	0	0	108.4	N400 E404	N400-T402 PolarHBondContact O-N 2.95Å; T402-E404 VanDerWaalsContact C-N 3.28Å; T402-E404 PolarHBondContact O-N 2.92Å
403	L	32	Very low	40.4	Very low	115 Å²	115	121.7 Å²	121.7	60%	0.602	66%	0.659	S	S	*	*			trans	-70.4	91	169.7	-91.3	163.6	0	0	0	108.8	E401 L405	E401-L403 PolarHBondContact O-N 2.99Å; L403-L405 PolarHBondContact O-N 3.31Å
404	E	31.2	Very low	42.5	Very low	166 Å²	166	117.7 Å²	117.7	78%	0.776	64%	0.635	S	S	*	*			trans	-55	105.6	159.1	-68.2	-174.4	142.3	0	0	107.7	T402 T406	T402-E404 VanDerWaalsContact C-N 3.28Å; T402-E404 PolarHBondContact O-N 2.92Å; E404-T406 VanDerWaalsContact C-N 3.3Å; E404-T406 PolarHBondContact O-N 3.12Å; E404-T406 VanDerWaalsContact O-N 3.15Å
405	L	37.3	Very low	44.5	Very low	139 Å²	139	118 Å²	118	73%	0.728	63%	0.631	S	S	*	*			trans	-75.5	95.8	159.8	-155	80.1	0	0	0	104.8	L403 D407	L403-L405 PolarHBondContact O-N 3.31Å; L405-D407 PolarHBondContact O-N 3.29Å
406	T	39.4	Very low	46.7	Very low	106 Å²	106	114.8 Å²	114.8	65%	0.65	61%	0.613	S	S	*	*			trans	-53.9	130.9	177.1	47.6	0	0	0	0	109.3	E404 D408	E404-T406 VanDerWaalsContact C-N 3.3Å; E404-T406 PolarHBondContact O-N 3.12Å; E404-T406 VanDerWaalsContact O-N 3.15Å; T406-D408 PolarHBondContact O-N 2.8Å
407	D	40.3	Very low	48.6	Very low	136 Å²	136	109.6 Å²	109.6	73%	0.727	58%	0.579	S	S	*	*			trans	-58.3	100	176.3	-75.4	-52.8	0	0	0	109.5	L405 E409 Q551	L405-D407 PolarHBondContact O-N 3.29Å; D407-E409 PolarHBondContact O-N 3.23Å; D407-Q551 PolarHBondContact OD2-NE2 3.42Å
408	D	47.5	Very low	50.8	Low	100 Å²	100	106.6 Å²	106.6	54%	0.535	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-60.2	119.2	173.1	-95.8	-24.5	0	0	0	108.3	T406 Q886	T406-D408 PolarHBondContact O-N 2.8Å; D408-Q886 WeakPolarHBondContact OD2-CG 3.36Å; D408-Q886 PolarHBondContact OD2-NE2 3.49Å
409	E	53.5	Low	53	Low	115 Å²	115	109.8 Å²	109.8	54%	0.537	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-52.5	126.4	178.8	-144.1	-172	-143.2	0	0	108.8	D407 L411 Q412 R420	D407-E409 PolarHBondContact O-N 3.23Å; E409-L411 PolarHBondContact O-N 2.88Å; E409-Q412 PolarHBondContact OE2-NE2 3.25Å; E409-R420 IonicContact OE1-CZ 3.42Å; E409-R420 IonicContact OE1-NH1 3.66Å; E409-R420 PolarHBondContact OE1-NH1 3.35Å; E409-R420 IonicContact OE1-NH2 2.78Å; E409-R420 IonicContact OE2-NH1 3.52Å; E409-R420 PolarHBondContact OE2-NH1 2.95Å
410	P	56.4	Low	55.2	Low	110 Å²	110	107 Å²	107	71%	0.714	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-57.3	136	-178.8	23.6	-33.8	0	0	0	109.3	Q412	P410-Q412 PolarHBondContact O-N 3.4Å
411	L	58.7	Low	57.3	Low	115 Å²	115	101.9 Å²	101.9	60%	0.602	52%	0.515	S	S	*	.			trans	-50.6	96.2	-173.8	-75	152.4	0	0	0	111.1	E409 S413 L879	E409-L411 PolarHBondContact O-N 2.88Å; L411-S413 PolarHBondContact O-N 2.95Å; L411-L879 HydrophobicContact CD2-CD1 3.71Å
412	Q	62.5	Low	59.2	Low	42 Å²	42	98 Å²	98	20%	0.196	50%	0.5	C	S	.	.			trans	-52.3	137.7	-174.4	-65.7	176.1	26.3	0	0	110.3	E409 P410 E416 W417 Y875	E409-Q412 PolarHBondContact OE2-NE2 3.25Å; P410-Q412 PolarHBondContact O-N 3.4Å; Q412-E416 HydrophobicContact CB-CB 4.47Å; Q412-W417 HydrophobicContact CB-CB 4.42Å; Q412-Y875 PolarHBondContact O-OH 3.44Å; Q412-Y875 VanDerWaalsContact O-OH 3.05Å
413	S	72.8	Confident	60.9	Low	48 Å²	48	98 Å²	98	34%	0.336	49%	0.49	S	S	.	.			trans	-62.6	154.7	172.4	68.2	0	0	0	0	110.7	L411 D415 E416 W417	L411-S413 PolarHBondContact O-N 2.95Å; S413-D415 PolarHBondContact O-N 3.08Å; S413-D415 VanDerWaalsContact O-N 3.16Å; S413-E416 VanDerWaalsContact CB-OE2 3.25Å; S413-E416 WeakPolarHBondContact CB-OE2 3.28Å; S413-E416 PolarHBondContact N-OE2 3.22Å; S413-E416 PolarHBondContact O-N 2.79Å; S413-E416 VanDerWaalsContact OG-CD 3.23Å; S413-E416 VanDerWaalsContact OG-CG 3.26Å; S413-E416 WeakPolarHBondContact OG-CG 3.4Å; S413-E416 PolarHBondContact OG-N 2.84Å; S413-E416 PolarHBondContact OG-OE2 2.59Å; S413-W417 PolarHBondContact O-N 2.73Å
414	F	76.4	Confident	62.5	Low	66 Å²	66	97.8 Å²	97.8	29%	0.289	49%	0.486	S	S	.	.	H	α-helix	trans	-55.9	-34.2	177.8	174.9	-110.3	0	0	0	112.4	T418 L871 Y875	F414-T418 WeakPolarHBondContact CE2-OG1 3.16Å; F414-T418 WeakPolarHBondContact CZ-OG1 3.41Å; F414-T418 WeakPolarHBondContact O-CB 3.48Å; F414-T418 PolarHBondContact O-N 3.2Å; F414-T418 PolarHBondContact O-OG1 2.69Å; F414-L871 HydrophobicContact CE2-CB 4.48Å; F414-L871 HydrophobicContact CZ-CB 4.37Å; F414-Y875 HydrophobicContact CB-CD1 4.41Å; F414-Y875 HydrophobicContact CB-CE1 4.19Å; F414-Y875 AromaticContact CD2-CD1 3.75Å; F414-Y875 HydrophobicContact CD2-CD1 3.75Å; F414-Y875 HydrophobicContact CD2-CD2 4.23Å; F414-Y875 HydrophobicContact CD2-CE1 4.37Å; F414-Y875 AromaticContact CD2-CG 3.67Å; F414-Y875 HydrophobicContact CD2-CG 3.67Å; F414-Y875 HydrophobicContact CE2-CG 4.36Å; F414-Y875 HydrophobicContact CG-CD1 4.5Å
415	D	73.6	Confident	63.7	Low	108 Å²	108	96.8 Å²	96.8	58%	0.578	48%	0.482	S	S	*	.	H	α-helix	trans	-71.5	-36.2	178.1	-66.3	-33.7	0	0	0	112.5	S413 R419	S413-D415 PolarHBondContact O-N 3.08Å; S413-D415 VanDerWaalsContact O-N 3.16Å; D415-R419 WeakPolarHBondContact O-CB 3.06Å; D415-R419 WeakPolarHBondContact O-CG 3.33Å; D415-R419 PolarHBondContact O-N 3.26Å
416	E	75.2	Confident	64.2	Low	106 Å²	106	99.6 Å²	99.6	50%	0.495	48%	0.483	S	S	.	.	H	α-helix	trans	-71.7	-47.5	175.4	-72.1	163.3	134	0	0	111.7	Q412 S413 T418 R419 R420	Q412-E416 HydrophobicContact CB-CB 4.47Å; S413-E416 VanDerWaalsContact CB-OE2 3.25Å; S413-E416 WeakPolarHBondContact CB-OE2 3.28Å; S413-E416 PolarHBondContact N-OE2 3.22Å; S413-E416 PolarHBondContact O-N 2.79Å; S413-E416 VanDerWaalsContact OG-CD 3.23Å; S413-E416 VanDerWaalsContact OG-CG 3.26Å; S413-E416 WeakPolarHBondContact OG-CG 3.4Å; S413-E416 PolarHBondContact OG-N 2.84Å; S413-E416 PolarHBondContact OG-OE2 2.59Å; E416-T418 VanDerWaalsContact C-N 3.27Å; E416-T418 PolarHBondContact O-N 3.05Å; E416-R419 PolarHBondContact O-N 3.05Å; E416-R420 WeakPolarHBondContact O-CB 3.25Å; E416-R420 PolarHBondContact O-N 3.38Å
417	W	76.6	Confident	64.1	Low	15 Å²	15	100.4 Å²	100.4	6%	0.057	49%	0.49	C	S	.	.	H	α-helix	trans	-59.6	-41	174.4	-179.3	96	0	0	0	110.8	Q412 S413 R420 K421 L871 Q874 Y875 E878	Q412-W417 HydrophobicContact CB-CB 4.42Å; S413-W417 PolarHBondContact O-N 2.73Å; W417-R420 PolarHBondContact O-N 2.88Å; W417-K421 HydrophobicContact CD2-CG 3.86Å; W417-K421 HydrophobicContact CE3-CG 4Å; W417-K421 HydrophobicContact CH2-CD 4.31Å; W417-K421 HydrophobicContact CH2-CG 3.75Å; W417-K421 HydrophobicContact CZ2-CD 3.94Å; W417-K421 HydrophobicContact CZ2-CG 3.65Å; W417-K421 HydrophobicContact CZ3-CB 4.49Å; W417-K421 HydrophobicContact CZ3-CG 3.94Å; W417-K421 WeakPolarHBondContact O-CB 3.27Å; W417-K421 VanDerWaalsContact O-CG 3.29Å; W417-K421 WeakPolarHBondContact O-CG 3.25Å; W417-K421 PolarHBondContact O-N 3.42Å; W417-L871 HydrophobicContact CH2-CD2 4.31Å; W417-L871 HydrophobicContact CZ3-CB 4.23Å; W417-L871 HydrophobicContact CZ3-CD2 3.84Å; W417-L871 VanDerWaalsContact CZ3-O 3.32Å; W417-L871 WeakPolarHBondContact CZ3-O 3.32Å; W417-Q874 HydrophobicContact CH2-CB 3.53Å; W417-Q874 HydrophobicContact CZ2-CB 4.07Å; W417-Y875 HydrophobicContact CB-CD2 3.84Å; W417-Y875 HydrophobicContact CB-CE2 4.05Å; W417-Y875 AromaticContact CD2-CD2 3.74Å; W417-Y875 HydrophobicContact CD2-CD2 3.74Å; W417-Y875 HydrophobicContact CD2-CG 4.39Å; W417-Y875 HydrophobicContact CE3-CD2 4.11Å; W417-Y875 HydrophobicContact CE3-CG 4.39Å; W417-Y875 AromaticContact CG-CD2 3.62Å; W417-Y875 HydrophobicContact CG-CD2 3.62Å; W417-Y875 HydrophobicContact CG-CE2 4.23Å; W417-E878 PolarHBondContact NE1-OE2 3.08Å
418	T	75.8	Confident	63.9	Low	18 Å²	18	100.7 Å²	100.7	11%	0.11	50%	0.496	C	S	.	.	H	α-helix	trans	-64.5	-42.3	176.1	-66.8	0	0	0	0	112.1	F414 E416 K421 L422 L871	F414-T418 WeakPolarHBondContact CE2-OG1 3.16Å; F414-T418 WeakPolarHBondContact CZ-OG1 3.41Å; F414-T418 WeakPolarHBondContact O-CB 3.48Å; F414-T418 PolarHBondContact O-N 3.2Å; F414-T418 PolarHBondContact O-OG1 2.69Å; E416-T418 VanDerWaalsContact C-N 3.27Å; E416-T418 PolarHBondContact O-N 3.05Å; T418-K421 PolarHBondContact O-N 3.34Å; T418-L422 HydrophobicContact CG2-CD1 3.87Å; T418-L422 HydrophobicContact CG2-CG 4.48Å; T418-L422 WeakPolarHBondContact O-CB 3.22Å; T418-L422 VanDerWaalsContact O-CG 3.27Å; T418-L422 WeakPolarHBondContact O-CG 3.47Å; T418-L422 PolarHBondContact O-N 3.37Å; T418-L871 HydrophobicContact CG2-CD1 4.08Å
419	R	76.6	Confident	63.1	Low	169 Å²	169	100.6 Å²	100.6	64%	0.638	51%	0.509	S	S	*	.	H	α-helix	trans	-60.2	-50.5	172.6	-78.9	173.6	179	161.6	3.5	111.4	D415 E416 K421 L422 E423	D415-R419 WeakPolarHBondContact O-CB 3.06Å; D415-R419 WeakPolarHBondContact O-CG 3.33Å; D415-R419 PolarHBondContact O-N 3.26Å; E416-R419 PolarHBondContact O-N 3.05Å; R419-K421 VanDerWaalsContact C-N 3.3Å; R419-K421 PolarHBondContact O-N 2.87Å; R419-L422 PolarHBondContact O-N 3.25Å; R419-L422 VanDerWaalsContact O-N 3.1Å; R419-E423 WeakPolarHBondContact O-CG 3.26Å; R419-E423 PolarHBondContact O-N 2.94Å
420	R	77.1	Confident	61.9	Low	115 Å²	115	101.6 Å²	101.6	43%	0.434	52%	0.523	S	S	.	.	H	α-helix	trans	-57.1	-42.4	179.4	-167	169.8	178.5	163.6	0.3	111.3	E409 E416 W417 E423 E424	E409-R420 IonicContact OE1-CZ 3.42Å; E409-R420 IonicContact OE1-NH1 3.66Å; E409-R420 PolarHBondContact OE1-NH1 3.35Å; E409-R420 IonicContact OE1-NH2 2.78Å; E409-R420 IonicContact OE2-NH1 3.52Å; E409-R420 PolarHBondContact OE2-NH1 2.95Å; E416-R420 WeakPolarHBondContact O-CB 3.25Å; E416-R420 PolarHBondContact O-N 3.38Å; W417-R420 PolarHBondContact O-N 2.88Å; R420-E423 PolarHBondContact O-N 3.4Å; R420-E424 WeakPolarHBondContact O-CB 3.35Å; R420-E424 VanDerWaalsContact O-CG 3.31Å; R420-E424 WeakPolarHBondContact O-CG 3.5Å; R420-E424 PolarHBondContact O-N 3.17Å
421	K	76.6	Confident	60.7	Low	48 Å²	48	103.1 Å²	103.1	21%	0.209	53%	0.53	C	S	.	.	H	α-helix	trans	-70.1	-33.4	175.7	-68.8	-72.1	162.7	-149.7	0	114.3	W417 T418 R419 E423 E424 Q425 L871	W417-K421 HydrophobicContact CD2-CG 3.86Å; W417-K421 HydrophobicContact CE3-CG 4Å; W417-K421 HydrophobicContact CH2-CD 4.31Å; W417-K421 HydrophobicContact CH2-CG 3.75Å; W417-K421 HydrophobicContact CZ2-CD 3.94Å; W417-K421 HydrophobicContact CZ2-CG 3.65Å; W417-K421 HydrophobicContact CZ3-CB 4.49Å; W417-K421 HydrophobicContact CZ3-CG 3.94Å; W417-K421 WeakPolarHBondContact O-CB 3.27Å; W417-K421 VanDerWaalsContact O-CG 3.29Å; W417-K421 WeakPolarHBondContact O-CG 3.25Å; W417-K421 PolarHBondContact O-N 3.42Å; T418-K421 PolarHBondContact O-N 3.34Å; R419-K421 VanDerWaalsContact C-N 3.3Å; R419-K421 PolarHBondContact O-N 2.87Å; K421-E423 VanDerWaalsContact C-N 3.33Å; K421-E424 WeakPolarHBondContact CD-OE2 3.32Å; K421-E424 IonicContact NZ-OE1 3.39Å; K421-E424 IonicContact NZ-OE2 3.47Å; K421-E424 PolarHBondContact NZ-OE2 3.14Å; K421-Q425 WeakPolarHBondContact O-CG 3.49Å; K421-Q425 PolarHBondContact O-N 3.49Å; K421-L871 HydrophobicContact CB-CD2 4.41Å
422	L	71.2	Confident	59.3	Low	89 Å²	89	100.6 Å²	100.6	47%	0.466	53%	0.532	S	S	.	.	H	α-helix	trans	-72.3	-28.7	173.1	-72.8	167.7	0	0	0	112.2	T418 R419	T418-L422 HydrophobicContact CG2-CD1 3.87Å; T418-L422 HydrophobicContact CG2-CG 4.48Å; T418-L422 WeakPolarHBondContact O-CB 3.22Å; T418-L422 VanDerWaalsContact O-CG 3.27Å; T418-L422 WeakPolarHBondContact O-CG 3.47Å; T418-L422 PolarHBondContact O-N 3.37Å; R419-L422 PolarHBondContact O-N 3.25Å; R419-L422 VanDerWaalsContact O-N 3.1Å
423	E	67.9	Low	57.6	Low	131 Å²	131	105.8 Å²	105.8	61%	0.612	56%	0.561	S	S	*	*	H	α-helix	trans	-80.4	-37.4	175.2	-70.5	175.4	154.3	0	0	111.9	R419 R420 K421 Q425 R426	R419-E423 WeakPolarHBondContact O-CG 3.26Å; R419-E423 PolarHBondContact O-N 2.94Å; R420-E423 PolarHBondContact O-N 3.4Å; K421-E423 VanDerWaalsContact C-N 3.33Å; E423-Q425 PolarHBondContact O-N 3.38Å; E423-R426 PolarHBondContact O-N 3.13Å
424	E	65.4	Low	55.5	Low	112 Å²	112	109.4 Å²	109.4	52%	0.523	58%	0.581	S	S	.	*	H	α-helix	trans	-59.8	-20.9	169	-77.6	172.8	-161.6	0	0	113.4	R420 K421 R426	R420-E424 WeakPolarHBondContact O-CB 3.35Å; R420-E424 VanDerWaalsContact O-CG 3.31Å; R420-E424 WeakPolarHBondContact O-CG 3.5Å; R420-E424 PolarHBondContact O-N 3.17Å; K421-E424 WeakPolarHBondContact CD-OE2 3.32Å; K421-E424 IonicContact NZ-OE1 3.39Å; K421-E424 IonicContact NZ-OE2 3.47Å; K421-E424 PolarHBondContact NZ-OE2 3.14Å; E424-R426 VanDerWaalsContact C-N 3.33Å
425	Q	57.2	Low	53.2	Low	145 Å²	145	112.6 Å²	112.6	68%	0.678	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	4.6	174.7	-73.1	-178.8	17.5	0	0	114.2	K421 E423	K421-Q425 WeakPolarHBondContact O-CG 3.49Å; K421-Q425 PolarHBondContact O-N 3.49Å; E423-Q425 PolarHBondContact O-N 3.38Å
426	R	48.1	Very low	51	Low	198 Å²	198	112.8 Å²	112.8	75%	0.747	61%	0.611	S	S	*	*	S	Bend	trans	-95.6	141.5	171.4	-79.7	179.4	156.9	164.6	-5.8	112.2	E423 E424 V428	E423-R426 PolarHBondContact O-N 3.13Å; E424-R426 VanDerWaalsContact C-N 3.33Å; R426-V428 PolarHBondContact O-N 3.33Å
427	P	37.5	Very low	48.8	Very low	123 Å²	123	115.5 Å²	115.5	80%	0.799	63%	0.629	S	S	*	*			trans	-78	121.2	-170.6	-16.6	32.5	0	0	0	115.9
428	V	34.4	Very low	46.6	Very low	142 Å²	142	117.7 Å²	117.7	86%	0.861	66%	0.655	S	S	*	*			trans	65.6	114.6	136.6	-174.2	0	0	0	0	120.7	R426	R426-V428 PolarHBondContact O-N 3.33Å
429	A	32.3	Very low	44.5	Very low	97 Å²	97	124.7 Å²	124.7	80%	0.802	69%	0.692	S	S	*	*			trans	-169.8	154.2	131.1	0	0	0	0	0	111.8
430	T	28.7	Very low	42.2	Very low	137 Å²	137	119.7 Å²	119.7	84%	0.84	69%	0.693	S	S	*	*			trans	-128.2	175	-178.6	51.6	0	0	0	0	110.9
431	V	29.7	Very low	40	Very low	141 Å²	141	118.9 Å²	118.9	86%	0.855	71%	0.711	S	S	*	*			cis	-150.9	161	23.4	-168.9	0	0	0	0	107.1
432	G	30.4	Very low	37.9	Very low	63 Å²	63	122.5 Å²	122.5	65%	0.649	74%	0.739	S	S	*	*			cis	148	152.1	-7.8	0	0	0	0	0	112.8
433	D	26.8	Very low	35.9	Very low	151 Å²	151	123.3 Å²	123.3	81%	0.807	76%	0.759	S	S	*	*			trans	45.9	114.2	160.8	-70.4	8.3	0	0	0	124.8
434	T	27.6	Very low	33.9	Very low	123 Å²	123	121 Å²	121	76%	0.755	77%	0.77	S	S	*	*				93.7	137.5	124.9	58.7	0	0	0	0	125.3
435	V	27.6	Very low	32.4	Very low	134 Å²	134	119.4 Å²	119.4	81%	0.812	78%	0.776	S	S	*	*			trans	73.7	144.2	139.3	155.4	0	0	0	0	119.8
436	V	29.3	Very low	31.3	Very low	111 Å²	111	116.2 Å²	116.2	67%	0.673	78%	0.775	S	S	*	*			cis	-178.6	145.9	-33.1	119.3	0	0	0	0	107.4
437	N	28.7	Very low	30.7	Very low	164 Å²	164	113.1 Å²	113.1	88%	0.877	78%	0.781	S	S	*	*			trans	165.6	156.1	141.1	-97.8	-59.7	0	0	0	113.3
438	G	29.9	Very low	31	Very low	60 Å²	60	110.6 Å²	110.6	62%	0.619	76%	0.759	S	S	*	*			trans	-154.3	-170.8	179.7	0	0	0	0	0	114.6
439	N	31.2	Very low	31.9	Very low	166 Å²	166	105 Å²	105	89%	0.888	73%	0.728	S	S	*	*			trans	-166.8	163.3	172.3	-117.9	-110.6	0	0	0	109
440	G	29.2	Very low	33.3	Very low	63 Å²	63	105.1 Å²	105.1	65%	0.649	73%	0.729	S	S	*	*			cis	147.6	113.9	-4.3	0	0	0	0	0	112.1
441	A	29.9	Very low	35.9	Very low	98 Å²	98	103.1 Å²	103.1	81%	0.81	71%	0.707	S	S	*	*			trans	-152.4	146.6	178.1	0	0	0	0	0	112.3
442	P	33.5	Very low	38.9	Very low	124 Å²	124	97.3 Å²	97.3	81%	0.805	67%	0.67	S	S	*	*			trans	-90.5	163.5	-172.5	36.1	-36.4	0	0	0	114.5
443	A	28.7	Very low	41.9	Very low	106 Å²	106	94.3 Å²	94.3	88%	0.876	64%	0.64	S	S	*	*			trans	-109.8	153.6	-175.4	0	0	0	0	0	113.9
444	G	26.7	Very low	45.1	Very low	83 Å²	83	87.1 Å²	87.1	86%	0.856	60%	0.601	S	S	*	*			trans	161.6	76.8	172.4	0	0	0	0	0	114.2
445	A	32.5	Very low	48.1	Very low	78 Å²	78	81.8 Å²	81.8	65%	0.645	57%	0.569	S	S	*	*			trans	-146.3	160.1	176.4	0	0	0	0	0	112.3
446	A	35.8	Very low	51.2	Low	79 Å²	79	80.7 Å²	80.7	65%	0.653	55%	0.553	S	S	*	*	S	Bend	trans	-67.6	172.8	178.6	0	0	0	0	0	112.5	I448	A446-I448 PolarHBondContact O-N 3.37Å
447	P	35.2	Very low	54.1	Low	133 Å²	133	81.1 Å²	81.1	86%	0.864	55%	0.551	S	S	*	*			trans	-55.1	110.4	-179.6	-26	35.9	0	0	0	112	A449	P447-A449 PolarHBondContact O-N 3.23Å
448	I	44.1	Very low	57	Low	69 Å²	69	75 Å²	75	35%	0.354	52%	0.522	S	S	.	.			trans	-67.6	118.2	-179.8	-57.7	173.2	0	0	0	108	A446 A450 L588	A446-I448 PolarHBondContact O-N 3.37Å; I448-A450 PolarHBondContact O-N 3.29Å; I448-L588 HydrophobicContact CG2-CB 4.26Å; I448-L588 HydrophobicContact CG2-CD1 4.12Å
449	A	52.9	Low	59.9	Low	24 Å²	24	74.9 Å²	74.9	20%	0.198	52%	0.52	C	S	.	.			trans	-60	121.8	175.9	0	0	0	0	0	110.1	P447 R451 G589 I590	P447-A449 PolarHBondContact O-N 3.23Å; A449-R451 PolarHBondContact O-N 3.29Å; A449-G589 WeakPolarHBondContact CB-O 3.43Å; A449-I590 HydrophobicContact CB-CG2 3.99Å
450	A	61.9	Low	62.9	Low	101 Å²	101	67.3 Å²	67.3	84%	0.835	48%	0.48	S	S	*	.			trans	-83.1	11.9	-165.1	0	0	0	0	0	114.8	I448	I448-A450 PolarHBondContact O-N 3.29Å
451	R	83.3	Confident	66.1	Low	95 Å²	95	69.2 Å²	69.2	36%	0.358	47%	0.47	S	S	.	.			trans	-98.8	128.7	-174.3	-177.8	171	176.1	-144.9	-5.4	110.5	A449 Y453 C458 E503 L588 E594	A449-R451 PolarHBondContact O-N 3.29Å; R451-Y453 HydrophobicContact CB-CE2 3.79Å; R451-Y453 HydrophobicContact CG-CD2 4.46Å; R451-Y453 HydrophobicContact CG-CE1 4.22Å; R451-Y453 HydrophobicContact CG-CE2 3.95Å; R451-Y453 WeakPolarHBondContact O-CD2 3.34Å; R451-Y453 WeakPolarHBondContact O-CE2 3.47Å; R451-C458 PolarHBondContact NH2-SG 3.39Å; R451-E503 IonicContact CZ-OE1 2.69Å; R451-E503 IonicContact NH1-OE1 2.77Å; R451-E503 PolarHBondContact NH1-OE1 3.04Å; R451-E503 IonicContact NH1-OE2 2.67Å; R451-E503 IonicContact NH2-OE1 2.68Å; R451-E503 PolarHBondContact NH2-OE1 3.49Å; R451-L588 WeakPolarHBondContact O-CD2 3.47Å; R451-E594 IonicContact NH1-OE1 3.87Å; R451-E594 PolarHBondContact NH1-OE1 3.1Å; R451-E594 VanDerWaalsContact NH1-OE1 3.07Å
452	N	91.3	Very high	69.2	Low	18 Å²	18	65.7 Å²	65.7	10%	0.096	44%	0.439	C	S	.	.	B	Isolated β-bridge	trans	-86.1	108.2	173.9	-180	19.1	0	0	0	110.9	A454 S455 D478 R586 V587 L588	N452-A454 VanDerWaalsContact C-N 3.31Å; N452-A454 WeakPolarHBondContact OD1-CB 3.37Å; N452-A454 PolarHBondContact OD1-N 2.86Å; N452-S455 PolarHBondContact ND2-N 3.5Å; N452-S455 VanDerWaalsContact O-CB 3.27Å; N452-S455 WeakPolarHBondContact O-CB 3.46Å; N452-S455 PolarHBondContact O-N 2.89Å; N452-D478 VanDerWaalsContact ND2-CG 3.33Å; N452-D478 PolarHBondContact ND2-OD1 3.13Å; N452-D478 PolarHBondContact ND2-OD2 3.35Å; N452-R586 HydrophobicContact CB-CB 4.46Å; N452-R586 VanDerWaalsContact OD1-CA 3.32Å; N452-R586 WeakPolarHBondContact OD1-CA 3.33Å; N452-V587 WeakPolarHBondContact CA-O 3.34Å; N452-V587 PolarHBondContact OD1-N 2.9Å; N452-L588 HydrophobicContact CB-CD2 4.42Å
453	Y	93.2	Very high	72.1	Confident	1 Å²	1	61.8 Å²	61.8	0%	0.004	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.3	178.4	-58.5	-98.1	0	0	0	113.5	R451 A460 L501 C502 E503 V505 V587 G589 E594	R451-Y453 HydrophobicContact CB-CE2 3.79Å; R451-Y453 HydrophobicContact CG-CD2 4.46Å; R451-Y453 HydrophobicContact CG-CE1 4.22Å; R451-Y453 HydrophobicContact CG-CE2 3.95Å; R451-Y453 WeakPolarHBondContact O-CD2 3.34Å; R451-Y453 WeakPolarHBondContact O-CE2 3.47Å; Y453-A460 WeakPolarHBondContact O-CB 3.13Å; Y453-L501 WeakPolarHBondContact O-CA 3.31Å; Y453-C502 PolarHBondContact O-N 3.02Å; Y453-C502 VanDerWaalsContact O-N 3.12Å; Y453-C502 PolarHBondContact O-SG 3.44Å; Y453-C502 VanDerWaalsContact O-SG 3.4Å; Y453-E503 HydrophobicContact CD1-CB 4.2Å; Y453-V505 HydrophobicContact CD1-CG2 3.43Å; Y453-V505 VanDerWaalsContact CD1-CG2 3.43Å; Y453-V505 HydrophobicContact CD2-CG1 4.1Å; Y453-V505 HydrophobicContact CD2-CG2 4Å; Y453-V505 HydrophobicContact CE1-CG2 3.94Å; Y453-V505 HydrophobicContact CE2-CG1 4.43Å; Y453-V505 HydrophobicContact CE2-CG2 4.48Å; Y453-V505 HydrophobicContact CG-CG1 4.38Å; Y453-V505 HydrophobicContact CG-CG2 3.47Å; Y453-V505 VanDerWaalsContact CG-CG2 3.47Å; Y453-V587 PolarHBondContact N-O 2.88Å; Y453-G589 WeakPolarHBondContact CE2-O 3.25Å; Y453-G589 PolarHBondContact OH-O 2.9Å; Y453-E594 PolarHBondContact OH-OE1 3.05Å; Y453-E594 PolarHBondContact OH-OE2 3.03Å
454	A	93.8	Very high	75.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4.4	166.3	0	0	0	0	0	112.6	N452 A460 L476 I499 L501 V587	N452-A454 VanDerWaalsContact C-N 3.31Å; N452-A454 WeakPolarHBondContact OD1-CB 3.37Å; N452-A454 PolarHBondContact OD1-N 2.86Å; A454-A460 VanDerWaalsContact C-CB 3.44Å; A454-A460 WeakPolarHBondContact O-CB 2.76Å; A454-L476 HydrophobicContact CB-CD2 4.38Å; A454-L476 WeakPolarHBondContact O-CB 3.44Å; A454-L476 VanDerWaalsContact O-CD2 3.29Å; A454-L476 WeakPolarHBondContact O-CD2 3.38Å; A454-I499 HydrophobicContact CB-CG2 4.36Å; A454-L501 HydrophobicContact CB-CD2 4.02Å; A454-V587 HydrophobicContact CB-CB 3.97Å; A454-V587 HydrophobicContact CB-CG2 3.72Å
455	S	92	Very high	78.4	Confident	10 Å²	10	58.3 Å²	58.3	7%	0.07	36%	0.361	C	S	.	.			trans	-70.5	134.6	178.9	-165.5	0	0	0	0	112.1	N452 D457 C458 G459 A460 D478	N452-S455 PolarHBondContact ND2-N 3.5Å; N452-S455 VanDerWaalsContact O-CB 3.27Å; N452-S455 WeakPolarHBondContact O-CB 3.46Å; N452-S455 PolarHBondContact O-N 2.89Å; S455-D457 PolarHBondContact O-N 2.86Å; S455-D457 PolarHBondContact OG-N 3.17Å; S455-C458 WeakPolarHBondContact O-CA 3.35Å; S455-C458 VanDerWaalsContact O-CB 3.31Å; S455-C458 WeakPolarHBondContact O-CB 3.14Å; S455-C458 PolarHBondContact O-N 3.4Å; S455-G459 PolarHBondContact O-N 3.29Å; S455-A460 VanDerWaalsContact O-CB 3.31Å; S455-A460 WeakPolarHBondContact O-CB 3.46Å; S455-A460 PolarHBondContact O-N 2.93Å; S455-D478 WeakPolarHBondContact CB-OD2 3.47Å; S455-D478 PolarHBondContact OG-OD2 2.89Å
456	K	92.3	Very high	81.2	Confident	112 Å²	112	55 Å²	55	49%	0.487	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.6	-34	171.3	-172	176.7	-179.8	180	0	111.8	C458 G459 L476	K456-C458 PolarHBondContact O-N 2.9Å; K456-G459 PolarHBondContact O-N 3.39Å; K456-L476 HydrophobicContact CB-CB 4.01Å; K456-L476 WeakPolarHBondContact CB-O 3.42Å; K456-L476 PolarHBondContact N-O 3.5Å
457	D	89.1	Confident	84	Confident	119 Å²	119	56 Å²	56	64%	0.636	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-68.4	-21.3	175.9	-72	-5.2	0	0	0	112.7	S455 G459 K479	S455-D457 PolarHBondContact O-N 2.86Å; S455-D457 PolarHBondContact OG-N 3.17Å; D457-G459 VanDerWaalsContact C-N 3.33Å; D457-K479 IonicContact OD2-NZ 3.15Å; D457-K479 PolarHBondContact OD2-NZ 3.04Å
458	C	90	Very high	86.6	Confident	37 Å²	37	53 Å²	53	25%	0.25	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-81.1	-14	171.3	-162.9	0	0	0	0	112.5	R451 S455 K456 C502	R451-C458 PolarHBondContact NH2-SG 3.39Å; S455-C458 WeakPolarHBondContact O-CA 3.35Å; S455-C458 VanDerWaalsContact O-CB 3.31Å; S455-C458 WeakPolarHBondContact O-CB 3.14Å; S455-C458 PolarHBondContact O-N 3.4Å; K456-C458 PolarHBondContact O-N 2.9Å; C458-C502 HydrophobicContact CB-CB 3.69Å; C458-C502 WeakPolarHBondContact CB-SG 3.43Å; C458-C502 WeakPolarHBondContact O-CB 3.39Å; C458-C502 WeakPolarHBondContact SG-CB 3.25Å; C458-C502 CovalentContact SG-SG 2.04Å; C458-C502 PolarHBondContact SG-SG 3.42Å
459	G	92.2	Very high	88.9	Confident	56 Å²	56	50.5 Å²	50.5	58%	0.577	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	11.3	-171.3	0	0	0	0	0	114.6	S455 K456 D457	S455-G459 PolarHBondContact O-N 3.29Å; K456-G459 PolarHBondContact O-N 3.39Å; D457-G459 VanDerWaalsContact C-N 3.33Å
460	A	94.4	Very high	90.8	Very high	7 Å²	7	55 Å²	55	6%	0.058	32%	0.322	C	S	.	.			trans	-66.9	152.1	171.4	0	0	0	0	0	111.5	Y453 A454 S455 L476 E500	Y453-A460 WeakPolarHBondContact O-CB 3.13Å; A454-A460 VanDerWaalsContact C-CB 3.44Å; A454-A460 WeakPolarHBondContact O-CB 2.76Å; S455-A460 VanDerWaalsContact O-CB 3.31Å; S455-A460 WeakPolarHBondContact O-CB 3.46Å; S455-A460 PolarHBondContact O-N 2.93Å; A460-L476 HydrophobicContact CB-CD1 4.42Å; A460-E500 VanDerWaalsContact CA-O 3.3Å; A460-E500 WeakPolarHBondContact CA-O 3.14Å; A460-E500 WeakPolarHBondContact CB-O 3.34Å
461	K	95.1	Very high	92.3	Very high	103 Å²	103	53.9 Å²	53.9	45%	0.448	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.1	178.8	65.1	173.9	-173.1	-85.9	0	112.4	V463 L476 I499 E500	K461-V463 PolarHBondContact O-N 3.03Å; K461-L476 VanDerWaalsContact CA-CD1 3.49Å; K461-I499 WeakPolarHBondContact O-CA 3.28Å; K461-E500 WeakPolarHBondContact CE-OE2 3.37Å; K461-E500 HydrophobicContact CG-CB 4.2Å; K461-E500 PolarHBondContact N-O 3.05Å; K461-E500 VanDerWaalsContact NZ-CD 3.33Å; K461-E500 IonicContact NZ-OE1 3.5Å; K461-E500 IonicContact NZ-OE2 2.59Å; K461-E500 PolarHBondContact NZ-OE2 3.45Å; K461-E500 PolarHBondContact O-N 2.92Å
462	V	95.5	Very high	92.8	Very high	24 Å²	24	50.8 Å²	50.8	15%	0.145	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.8	164	-171.4	0	0	0	0	108	P472 L476 F497 I498 I499	V462-P472 HydrophobicContact CG1-CB 4.2Å; V462-P472 HydrophobicContact CG2-CB 4.45Å; V462-P472 WeakPolarHBondContact CG2-O 3.3Å; V462-L476 HydrophobicContact CG2-CD1 4.01Å; V462-L476 HydrophobicContact CG2-CD2 4.49Å; V462-L476 HydrophobicContact CG2-CG 4.24Å; V462-F497 HydrophobicContact CG1-CB 4.39Å; V462-I498 CarbonylContact C-O 3.39Å; V462-I498 WeakPolarHBondContact CA-O 3.35Å; V462-I498 WeakPolarHBondContact CG1-O 3.37Å; V462-I499 HydrophobicContact CG2-CG1 4.24Å
463	V	93.7	Very high	92.8	Very high	43 Å²	43	53 Å²	53	26%	0.261	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-40.4	-180	-178.5	0	0	0	0	110.8	K461 I498 E500 Y533 Y565	K461-V463 PolarHBondContact O-N 3.03Å; V463-I498 HydrophobicContact CB-CG2 4.18Å; V463-I498 HydrophobicContact CG2-CG2 4.46Å; V463-I498 PolarHBondContact N-O 3.38Å; V463-E500 HydrophobicContact CG2-CB 3.56Å; V463-Y533 HydrophobicContact CG1-CD1 3.78Å; V463-Y533 HydrophobicContact CG1-CE1 3.43Å; V463-Y533 VanDerWaalsContact CG1-CE1 3.43Å; V463-Y533 HydrophobicContact CG1-CE2 4.36Å; V463-Y533 HydrophobicContact CG1-CG 4.38Å; V463-Y565 HydrophobicContact CG2-CD1 4.19Å; V463-Y565 HydrophobicContact CG2-CE1 4.19Å
464	M	93.4	Very high	92.8	Very high	93 Å²	93	53 Å²	53	46%	0.458	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	153.4	-175.6	-165.6	170.3	-79.2	0	0	110	W496 F497 I498 Y533	M464-W496 HydrophobicContact CB-CH2 4.36Å; M464-W496 HydrophobicContact CB-CZ3 4.06Å; M464-W496 HydrophobicContact CG-CH2 3.66Å; M464-W496 HydrophobicContact CG-CZ3 3.86Å; M464-W496 HydrophobicContact SD-CH2 3.77Å; M464-W496 HydrophobicContact SD-CZ3 4.33Å; M464-F497 CarbonylContact O-C 3.12Å; M464-F497 WeakPolarHBondContact O-CA 3.3Å; M464-I498 PolarHBondContact O-N 2.88Å; M464-Y533 WeakPolarHBondContact CE-OH 3.49Å; M464-Y533 PolarHBondContact SD-OH 3.03Å
465	A	94	Very high	92.8	Very high	23 Å²	23	53 Å²	53	19%	0.19	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	171.9	170	0	0	0	0	0	109.9	A469 P472 W496 F497	A465-A469 HydrophobicContact CB-CB 3.92Å; A465-P472 HydrophobicContact CB-CB 4.24Å; A465-P472 HydrophobicContact CB-CG 4.43Å; A465-W496 CarbonylContact C-O 3.58Å; A465-W496 VanDerWaalsContact CA-O 3.26Å; A465-W496 WeakPolarHBondContact CA-O 3.43Å; A465-F497 HydrophobicContact CB-CB 3.97Å
466	N	93.2	Very high	92.8	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.037	31%	0.309	C	S	.	.			trans	-59.7	150.1	168.3	67.8	-86.3	0	0	0	110.8	E468 A469 N487 P494 K495 W496	N466-E468 WeakPolarHBondContact CB-OE2 3.45Å; N466-E468 PolarHBondContact ND2-OE2 3.48Å; N466-E468 PolarHBondContact O-N 2.95Å; N466-E468 VanDerWaalsContact O-N 3.12Å; N466-A469 WeakPolarHBondContact O-CB 3.08Å; N466-A469 PolarHBondContact O-N 2.85Å; N466-N487 PolarHBondContact ND2-ND2 2.98Å; N466-N487 PolarHBondContact ND2-OD1 3.33Å; N466-N487 PolarHBondContact OD1-ND2 3.22Å; N466-P494 WeakPolarHBondContact CB-O 3.3Å; N466-K495 WeakPolarHBondContact OD1-CA 3.34Å; N466-W496 PolarHBondContact N-O 3.11Å; N466-W496 PolarHBondContact OD1-N 3.1Å; N466-W496 PolarHBondContact OD1-O 3.15Å
467	A	92.6	Very high	92.6	Very high	100 Å²	100	49.2 Å²	49.2	83%	0.826	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.3	-166.7	0	0	0	0	0	113.9
468	E	91.2	Very high	92.1	Very high	70 Å²	70	45.1 Å²	45.1	33%	0.327	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.1	-179.1	-48.3	76.7	-171.6	0	0	112.6	N466 P488 T491	N466-E468 WeakPolarHBondContact CB-OE2 3.45Å; N466-E468 PolarHBondContact ND2-OE2 3.48Å; N466-E468 PolarHBondContact O-N 2.95Å; N466-E468 VanDerWaalsContact O-N 3.12Å; E468-P488 HydrophobicContact CB-CG 4.1Å; E468-P488 WeakPolarHBondContact O-CD 3.49Å; E468-T491 HydrophobicContact CB-CG2 4.21Å; E468-T491 HydrophobicContact CG-CG2 3.95Å
469	A	92.1	Very high	91.5	Very high	18 Å²	18	50.5 Å²	50.5	15%	0.149	29%	0.291	C	S	.	.			trans	-79.4	122.3	-177.2	0	0	0	0	0	112.7	A465 N466 M485 L486	A465-A469 HydrophobicContact CB-CB 3.92Å; N466-A469 WeakPolarHBondContact O-CB 3.08Å; N466-A469 PolarHBondContact O-N 2.85Å; A469-M485 HydrophobicContact CB-CG 4.48Å; A469-M485 HydrophobicContact CB-SD 4.15Å; A469-L486 CarbonylContact C-O 3.6Å; A469-L486 WeakPolarHBondContact CA-O 3.43Å
470	Q	92.6	Very high	90.9	Very high	117 Å²	117	51.3 Å²	51.3	55%	0.547	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-104.6	143.4	178.9	-56.7	179.9	21.8	0	0	110.9	P472 M485 L486	Q470-P472 VanDerWaalsContact C-CD 3.43Å; Q470-M485 WeakPolarHBondContact O-CA 3.35Å; Q470-M485 WeakPolarHBondContact O-CG 3.44Å; Q470-L486 HydrophobicContact CB-CB 4.15Å; Q470-L486 PolarHBondContact N-O 2.85Å; Q470-L486 PolarHBondContact O-N 3.33Å
471	N	93.6	Very high	90.2	Very high	79 Å²	79	55.3 Å²	55.3	42%	0.422	30%	0.302	S	S	.	.			trans	45.8	46.5	-176.1	-161.8	22.7	0	0	0	116.2	S473 A474	N471-S473 PolarHBondContact O-N 3.5Å; N471-S473 VanDerWaalsContact O-N 3.1Å; N471-A474 WeakPolarHBondContact O-CB 3.19Å; N471-A474 PolarHBondContact O-N 3.49Å; N471-A474 VanDerWaalsContact O-N 3.09Å
472	P	93.4	Very high	89.6	Confident	30 Å²	30	57.7 Å²	57.7	20%	0.195	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-61.9	-23.3	-178.7	28	-36.5	0	0	0	113.5	V462 A465 Q470 A474 L475 M485	V462-P472 HydrophobicContact CG1-CB 4.2Å; V462-P472 HydrophobicContact CG2-CB 4.45Å; V462-P472 WeakPolarHBondContact CG2-O 3.3Å; A465-P472 HydrophobicContact CB-CB 4.24Å; A465-P472 HydrophobicContact CB-CG 4.43Å; Q470-P472 VanDerWaalsContact C-CD 3.43Å; P472-A474 PolarHBondContact O-N 2.89Å; P472-A474 VanDerWaalsContact O-N 3.15Å; P472-L475 VanDerWaalsContact O-CG 3.32Å; P472-L475 WeakPolarHBondContact O-CG 3.34Å; P472-L475 PolarHBondContact O-N 3.26Å; P472-M485 HydrophobicContact CB-CG 4.18Å; P472-M485 HydrophobicContact CB-SD 3.94Å
473	S	92	Very high	89.1	Confident	65 Å²	65	60.1 Å²	60.1	46%	0.455	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-62.9	-14.6	175.5	-61.6	0	0	0	0	114.8	N471 L475	N471-S473 PolarHBondContact O-N 3.5Å; N471-S473 VanDerWaalsContact O-N 3.1Å; S473-L475 VanDerWaalsContact C-N 3.34Å
474	A	92.1	Very high	88.9	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-64.6	-35.6	176.4	0	0	0	0	0	113	N471 P472 L476 K477 E483 Y484	N471-A474 WeakPolarHBondContact O-CB 3.19Å; N471-A474 PolarHBondContact O-N 3.49Å; N471-A474 VanDerWaalsContact O-N 3.09Å; P472-A474 PolarHBondContact O-N 2.89Å; P472-A474 VanDerWaalsContact O-N 3.15Å; A474-L476 PolarHBondContact O-N 3.15Å; A474-K477 WeakPolarHBondContact O-CB 3.33Å; A474-K477 PolarHBondContact O-N 2.76Å; A474-E483 HydrophobicContact CB-CB 3.99Å; A474-Y484 VanDerWaalsContact CB-C 3.49Å
475	L	93.5	Very high	89	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-52.2	-23.2	-174.6	-62.4	178.7	0	0	0	115	P472 S473 M485 F497 L582 V585	P472-L475 VanDerWaalsContact O-CG 3.32Å; P472-L475 WeakPolarHBondContact O-CG 3.34Å; P472-L475 PolarHBondContact O-N 3.26Å; S473-L475 VanDerWaalsContact C-N 3.34Å; L475-M485 HydrophobicContact CD1-CB 4.37Å; L475-M485 HydrophobicContact CD1-CE 4.24Å; L475-M485 HydrophobicContact CD1-SD 3.97Å; L475-M485 HydrophobicContact CD2-CB 3.76Å; L475-M485 HydrophobicContact CG-CB 3.96Å; L475-F497 HydrophobicContact CD1-CD1 4Å; L475-F497 HydrophobicContact CD1-CD2 3.68Å; L475-F497 HydrophobicContact CD1-CE1 3.93Å; L475-F497 HydrophobicContact CD1-CE2 3.61Å; L475-F497 HydrophobicContact CD1-CG 3.87Å; L475-F497 HydrophobicContact CD1-CZ 3.72Å; L475-L582 HydrophobicContact CD2-CB 3.77Å; L475-L582 HydrophobicContact CD2-CD2 3.74Å; L475-L582 HydrophobicContact CD2-CG 3.69Å; L475-L582 WeakPolarHBondContact CD2-O 3.38Å; L475-V585 HydrophobicContact CB-CB 4.47Å; L475-V585 HydrophobicContact CB-CG2 4.14Å; L475-V585 HydrophobicContact CD1-CG2 4.25Å; L475-V585 HydrophobicContact CD2-CG2 4.19Å; L475-V585 HydrophobicContact CG-CG2 4.43Å; L475-V585 PolarHBondContact O-N 3.32Å
476	L	93.1	Very high	88.9	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-99.6	3.5	-172.5	-45.5	-173.8	0	0	0	112.6	A454 K456 A460 K461 V462 A474 D478 I499	A454-L476 HydrophobicContact CB-CD2 4.38Å; A454-L476 WeakPolarHBondContact O-CB 3.44Å; A454-L476 VanDerWaalsContact O-CD2 3.29Å; A454-L476 WeakPolarHBondContact O-CD2 3.38Å; K456-L476 HydrophobicContact CB-CB 4.01Å; K456-L476 WeakPolarHBondContact CB-O 3.42Å; K456-L476 PolarHBondContact N-O 3.5Å; A460-L476 HydrophobicContact CB-CD1 4.42Å; K461-L476 VanDerWaalsContact CA-CD1 3.49Å; V462-L476 HydrophobicContact CG2-CD1 4.01Å; V462-L476 HydrophobicContact CG2-CD2 4.49Å; V462-L476 HydrophobicContact CG2-CG 4.24Å; A474-L476 PolarHBondContact O-N 3.15Å; L476-D478 PolarHBondContact O-N 2.98Å; L476-I499 HydrophobicContact CD1-CG2 4.39Å; L476-I499 HydrophobicContact CD2-CD1 3.63Å; L476-I499 HydrophobicContact CD2-CG1 3.95Å; L476-I499 HydrophobicContact CD2-CG2 4Å
477	K	88.2	Confident	88.9	Confident	38 Å²	38	57.4 Å²	57.4	17%	0.165	31%	0.308	C	S	.	.			trans	-91.7	88.4	-179.6	-70.3	179.7	144.9	-140.5	0	111.2	A474 K479 D480 E483	A474-K477 WeakPolarHBondContact O-CB 3.33Å; A474-K477 PolarHBondContact O-N 2.76Å; K477-K479 PolarHBondContact O-N 3.25Å; K477-D480 HydrophobicContact CB-CB 4.15Å; K477-D480 HydrophobicContact CD-CB 4.08Å; K477-D480 WeakPolarHBondContact CD-OD2 3.46Å; K477-D480 WeakPolarHBondContact CE-OD2 3.36Å; K477-D480 IonicContact NZ-OD2 2.69Å; K477-D480 PolarHBondContact NZ-OD2 3.42Å; K477-D480 PolarHBondContact O-N 2.69Å; K477-E483 HydrophobicContact CD-CB 4.22Å; K477-E483 VanDerWaalsContact CD-OE2 3.28Å; K477-E483 WeakPolarHBondContact CD-OE2 3.48Å; K477-E483 WeakPolarHBondContact CE-OE2 3.22Å; K477-E483 IonicContact NZ-OE1 3.09Å; K477-E483 PolarHBondContact NZ-OE1 2.87Å; K477-E483 IonicContact NZ-OE2 2.66Å; K477-E483 PolarHBondContact NZ-OE2 3.47Å
478	D	78.7	Confident	88.8	Confident	33 Å²	33	53.7 Å²	53.7	18%	0.176	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-8.4	-179	-79.4	-54.3	0	0	0	117	N452 S455 L476 R586	N452-D478 VanDerWaalsContact ND2-CG 3.33Å; N452-D478 PolarHBondContact ND2-OD1 3.13Å; N452-D478 PolarHBondContact ND2-OD2 3.35Å; S455-D478 WeakPolarHBondContact CB-OD2 3.47Å; S455-D478 PolarHBondContact OG-OD2 2.89Å; L476-D478 PolarHBondContact O-N 2.98Å; D478-R586 PolarHBondContact O-NH2 3.4Å; D478-R586 IonicContact OD1-CZ 2.74Å; D478-R586 IonicContact OD1-NE 3.44Å; D478-R586 PolarHBondContact OD1-NE 3.4Å; D478-R586 IonicContact OD1-NH2 2.66Å
479	K	77.4	Confident	88.8	Confident	151 Å²	151	50.7 Å²	50.7	66%	0.657	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-18.3	-167.9	-64.9	164.1	-177.7	161.1	0	114.4	D457 K477	D457-K479 IonicContact OD2-NZ 3.15Å; D457-K479 PolarHBondContact OD2-NZ 3.04Å; K477-K479 PolarHBondContact O-N 3.25Å
480	D	79.9	Confident	88.5	Confident	72 Å²	72	58.1 Å²	58.1	39%	0.385	29%	0.294	S	S	.	.			trans	-112.4	77.7	-168.7	-57.4	-17.6	0	0	0	109.5	K477 D482 E483	K477-D480 HydrophobicContact CB-CB 4.15Å; K477-D480 HydrophobicContact CD-CB 4.08Å; K477-D480 WeakPolarHBondContact CD-OD2 3.46Å; K477-D480 WeakPolarHBondContact CE-OD2 3.36Å; K477-D480 IonicContact NZ-OD2 2.69Å; K477-D480 PolarHBondContact NZ-OD2 3.42Å; K477-D480 PolarHBondContact O-N 2.69Å; D480-D482 PolarHBondContact O-N 3.02Å; D480-D482 VanDerWaalsContact O-N 3.11Å; D480-E483 PolarHBondContact O-N 2.73Å
481	N	78.9	Confident	87.8	Confident	91 Å²	91	54.3 Å²	54.3	49%	0.487	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.1	-175	-65.4	-17.6	0	0	0	114	E483 F515	N481-E483 VanDerWaalsContact C-N 3.34Å; N481-F515 HydrophobicContact CB-CD2 3.85Å; N481-F515 HydrophobicContact CB-CE2 4.09Å; N481-F515 WeakPolarHBondContact OD1-CE2 3.26Å
482	D	82.1	Confident	87	Confident	154 Å²	154	59.4 Å²	59.4	82%	0.824	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.1	-178	-55.6	-41.1	0	0	0	113.4	D480	D480-D482 PolarHBondContact O-N 3.02Å; D480-D482 VanDerWaalsContact O-N 3.11Å
483	E	86.6	Confident	86.3	Confident	75 Å²	75	59.1 Å²	59.1	35%	0.35	31%	0.309	S	S	.	.			trans	-99.2	133.1	172.3	-84.9	-175.6	-134.1	0	0	111	A474 K477 D480 N481	A474-E483 HydrophobicContact CB-CB 3.99Å; K477-E483 HydrophobicContact CD-CB 4.22Å; K477-E483 VanDerWaalsContact CD-OE2 3.28Å; K477-E483 WeakPolarHBondContact CD-OE2 3.48Å; K477-E483 WeakPolarHBondContact CE-OE2 3.22Å; K477-E483 IonicContact NZ-OE1 3.09Å; K477-E483 PolarHBondContact NZ-OE1 2.87Å; K477-E483 IonicContact NZ-OE2 2.66Å; K477-E483 PolarHBondContact NZ-OE2 3.47Å; D480-E483 PolarHBondContact O-N 2.73Å; N481-E483 VanDerWaalsContact C-N 3.34Å
484	Y	89.6	Confident	86	Confident	62 Å²	62	60.2 Å²	60.2	24%	0.243	31%	0.314	C	S	.	.			trans	-144.1	156.2	179.4	46.8	-94.6	0	0	0	111.8	A474 L486 E516 P581 L582	A474-Y484 VanDerWaalsContact CB-C 3.49Å; Y484-L486 HydrophobicContact CD2-CD2 4.31Å; Y484-L486 HydrophobicContact CD2-CG 3.92Å; Y484-L486 HydrophobicContact CE2-CD1 4.1Å; Y484-L486 HydrophobicContact CE2-CD2 3.87Å; Y484-L486 HydrophobicContact CE2-CG 3.73Å; Y484-E516 PolarHBondContact OH-OE2 2.9Å; Y484-P581 HydrophobicContact CD2-CB 3.68Å; Y484-P581 HydrophobicContact CE2-CB 4.18Å; Y484-P581 HydrophobicContact CG-CB 4.41Å; Y484-L582 WeakPolarHBondContact CB-O 3.25Å
485	M	93.9	Very high	86	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-72.7	133.1	165.6	-178.3	-177.2	66.9	0	0	108.2	A469 Q470 P472 L475 F497 P581 L582	A469-M485 HydrophobicContact CB-CG 4.48Å; A469-M485 HydrophobicContact CB-SD 4.15Å; Q470-M485 WeakPolarHBondContact O-CA 3.35Å; Q470-M485 WeakPolarHBondContact O-CG 3.44Å; P472-M485 HydrophobicContact CB-CG 4.18Å; P472-M485 HydrophobicContact CB-SD 3.94Å; L475-M485 HydrophobicContact CD1-CB 4.37Å; L475-M485 HydrophobicContact CD1-CE 4.24Å; L475-M485 HydrophobicContact CD1-SD 3.97Å; L475-M485 HydrophobicContact CD2-CB 3.76Å; L475-M485 HydrophobicContact CG-CB 3.96Å; M485-F497 HydrophobicContact CE-CD1 3.67Å; M485-F497 HydrophobicContact CE-CE1 3.8Å; M485-F497 HydrophobicContact SD-CD1 4.01Å; M485-P581 WeakPolarHBondContact O-CA 3.27Å; M485-P581 VanDerWaalsContact O-CB 3.29Å; M485-P581 WeakPolarHBondContact O-CB 3.31Å; M485-L582 HydrophobicContact CE-CB 4.2Å; M485-L582 PolarHBondContact N-O 3.45Å; M485-L582 PolarHBondContact O-N 2.72Å
486	L	92.1	Very high	86	Confident	47 Å²	47	63.3 Å²	63.3	25%	0.246	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-102.9	138.3	170.3	-87.5	163.1	0	0	0	109.5	A469 Q470 Y484 F579 P581	A469-L486 CarbonylContact C-O 3.6Å; A469-L486 WeakPolarHBondContact CA-O 3.43Å; Q470-L486 HydrophobicContact CB-CB 4.15Å; Q470-L486 PolarHBondContact N-O 2.85Å; Q470-L486 PolarHBondContact O-N 3.33Å; Y484-L486 HydrophobicContact CD2-CD2 4.31Å; Y484-L486 HydrophobicContact CD2-CG 3.92Å; Y484-L486 HydrophobicContact CE2-CD1 4.1Å; Y484-L486 HydrophobicContact CE2-CD2 3.87Å; Y484-L486 HydrophobicContact CE2-CG 3.73Å; L486-F579 HydrophobicContact CD2-CB 3.7Å; L486-F579 HydrophobicContact CD2-CD1 3.88Å; L486-F579 HydrophobicContact CD2-CD2 4.37Å; L486-F579 HydrophobicContact CD2-CG 3.73Å; L486-P581 HydrophobicContact CD2-CB 4.35Å
487	N	92.5	Very high	86.2	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.325	C	S	.	.			trans	-148.7	129.8	178.1	-149.6	-16.4	0	0	0	108	N466 F579 C580	N466-N487 PolarHBondContact ND2-ND2 2.98Å; N466-N487 PolarHBondContact ND2-OD1 3.33Å; N466-N487 PolarHBondContact OD1-ND2 3.22Å; N487-F579 WeakPolarHBondContact O-CA 3.3Å; N487-C580 PolarHBondContact O-N 3.28Å
488	P	92.3	Very high	86.5	Confident	22 Å²	22	61.7 Å²	61.7	14%	0.143	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-62.1	138.6	175.5	-19.6	32.1	0	0	0	110.6	E468 T491 K495 H578 F579	E468-P488 HydrophobicContact CB-CG 4.1Å; E468-P488 WeakPolarHBondContact O-CD 3.49Å; P488-T491 HydrophobicContact CB-CG2 3.86Å; P488-T491 HydrophobicContact CG-CG2 4.34Å; P488-K495 WeakPolarHBondContact O-CD 3.39Å; P488-H578 CarbonylContact C-O 3.56Å; P488-H578 WeakPolarHBondContact CA-O 3.32Å; P488-F579 HydrophobicContact CG-CE1 4.31Å
489	C	90.4	Very high	87.4	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.041	31%	0.311	C	S	.	.	S	Bend	trans	-71.2	-37	-177.5	-70.9	0	0	0	0	113	K495 S520 E577 H578 C580	C489-K495 PolarHBondContact O-NZ 2.57Å; C489-S520 WeakPolarHBondContact SG-CB 3.26Å; C489-E577 PolarHBondContact SG-O 3.45Å; C489-H578 PolarHBondContact N-O 3.15Å; C489-C580 WeakPolarHBondContact CA-SG 3.46Å; C489-C580 HydrophobicContact CB-CB 4.19Å; C489-C580 WeakPolarHBondContact CB-SG 3.33Å; C489-C580 WeakPolarHBondContact SG-CA 3.48Å; C489-C580 WeakPolarHBondContact SG-CB 3.2Å; C489-C580 PolarHBondContact SG-N 2.8Å; C489-C580 CovalentContact SG-SG 2.04Å; C489-C580 PolarHBondContact SG-SG 3.05Å
490	E	84.8	Confident	88.3	Confident	174 Å²	174	54 Å²	54	81%	0.813	28%	0.284	S	S	*	.	S	Bend	trans	-105.4	111	179.5	-64	-178.8	166.3	0	0	108.3
491	T	79.9	Confident	89.1	Confident	37 Å²	37	50.7 Å²	50.7	23%	0.227	27%	0.267	C	S	.	.			trans	-145.4	139.6	-175.8	49.7	0	0	0	0	108.5	E468 P488 G493	E468-T491 HydrophobicContact CB-CG2 4.21Å; E468-T491 HydrophobicContact CG-CG2 3.95Å; P488-T491 HydrophobicContact CB-CG2 3.86Å; P488-T491 HydrophobicContact CG-CG2 4.34Å; T491-G493 WeakPolarHBondContact CB-O 3.38Å; T491-G493 PolarHBondContact O-N 3.26Å; T491-G493 PolarHBondContact OG1-O 3.3Å
492	D	75.5	Confident	89.8	Confident	187 Å²	187	48 Å²	48	100%	1	26%	0.255	S	S	*	.	S	Bend	trans	-63.5	-28.4	174.9	-63.1	-41.1	0	0	0	111.9
493	G	78.2	Confident	90.3	Very high	24 Å²	24	43.2 Å²	43.2	25%	0.247	23%	0.228	C	C	.	.	S	Bend	trans	-90.9	155.5	173.8	0	0	0	0	0	113.7	T491	T491-G493 WeakPolarHBondContact CB-O 3.38Å; T491-G493 PolarHBondContact O-N 3.26Å; T491-G493 PolarHBondContact OG1-O 3.3Å
494	P	85.6	Confident	90.6	Very high	87 Å²	87	41.5 Å²	41.5	57%	0.565	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-66.7	143.9	171.7	27.9	-33.5	0	0	0	111.4	N466	N466-P494 WeakPolarHBondContact CB-O 3.3Å
495	K	93.3	Very high	90.6	Very high	19 Å²	19	38.6 Å²	38.6	8%	0.083	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.1	172.7	-72.9	166.6	-75.7	-66.2	0	110	N466 P488 C489 E569 L570	N466-K495 WeakPolarHBondContact OD1-CA 3.34Å; P488-K495 WeakPolarHBondContact O-CD 3.39Å; C489-K495 PolarHBondContact O-NZ 2.57Å; K495-E569 CarbonylContact O-C 3.55Å; K495-E569 WeakPolarHBondContact O-CA 3.28Å; K495-L570 HydrophobicContact CB-CB 4.02Å; K495-L570 PolarHBondContact O-N 3.18Å
496	W	94.3	Very high	90.5	Very high	47 Å²	47	40.4 Å²	40.4	18%	0.178	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	157.8	-179.8	59.5	-91.3	0	0	0	113.5	M464 A465 N466 I498 V568 E569	M464-W496 HydrophobicContact CB-CH2 4.36Å; M464-W496 HydrophobicContact CB-CZ3 4.06Å; M464-W496 HydrophobicContact CG-CH2 3.66Å; M464-W496 HydrophobicContact CG-CZ3 3.86Å; M464-W496 HydrophobicContact SD-CH2 3.77Å; M464-W496 HydrophobicContact SD-CZ3 4.33Å; A465-W496 CarbonylContact C-O 3.58Å; A465-W496 VanDerWaalsContact CA-O 3.26Å; A465-W496 WeakPolarHBondContact CA-O 3.43Å; N466-W496 PolarHBondContact N-O 3.11Å; N466-W496 PolarHBondContact OD1-N 3.1Å; N466-W496 PolarHBondContact OD1-O 3.15Å; W496-I498 HydrophobicContact CE3-CD1 4.18Å; W496-I498 HydrophobicContact CE3-CG1 3.97Å; W496-I498 HydrophobicContact CZ3-CD1 3.72Å; W496-I498 HydrophobicContact CZ3-CG1 3.88Å; W496-V568 CarbonylContact C-O 3.59Å; W496-V568 WeakPolarHBondContact CA-O 3.36Å; W496-V568 VanDerWaalsContact CB-O 3.3Å; W496-V568 WeakPolarHBondContact CB-O 3.3Å; W496-E569 HydrophobicContact CB-CB 4.25Å; W496-E569 HydrophobicContact CB-CG 3.85Å
497	F	95.6	Very high	90.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.4	172	55.4	-91.5	0	0	0	111.5	V462 M464 A465 L475 M485 I499 K567 V568 L582 V585	V462-F497 HydrophobicContact CG1-CB 4.39Å; M464-F497 CarbonylContact O-C 3.12Å; M464-F497 WeakPolarHBondContact O-CA 3.3Å; A465-F497 HydrophobicContact CB-CB 3.97Å; L475-F497 HydrophobicContact CD1-CD1 4Å; L475-F497 HydrophobicContact CD1-CD2 3.68Å; L475-F497 HydrophobicContact CD1-CE1 3.93Å; L475-F497 HydrophobicContact CD1-CE2 3.61Å; L475-F497 HydrophobicContact CD1-CG 3.87Å; L475-F497 HydrophobicContact CD1-CZ 3.72Å; M485-F497 HydrophobicContact CE-CD1 3.67Å; M485-F497 HydrophobicContact CE-CE1 3.8Å; M485-F497 HydrophobicContact SD-CD1 4.01Å; F497-I499 HydrophobicContact CD2-CD1 3.94Å; F497-I499 HydrophobicContact CD2-CG1 4.07Å; F497-I499 HydrophobicContact CE2-CD1 3.75Å; F497-I499 HydrophobicContact CE2-CG1 4.39Å; F497-K567 WeakPolarHBondContact O-CA 3.41Å; F497-V568 HydrophobicContact CD1-CB 4.43Å; F497-V568 HydrophobicContact CD2-CB 4.16Å; F497-V568 HydrophobicContact CD2-CG2 4.34Å; F497-V568 HydrophobicContact CE1-CB 3.87Å; F497-V568 HydrophobicContact CE1-CG1 3.97Å; F497-V568 HydrophobicContact CE2-CB 3.57Å; F497-V568 HydrophobicContact CE2-CG1 4.31Å; F497-V568 HydrophobicContact CE2-CG2 3.53Å; F497-V568 HydrophobicContact CZ-CB 3.41Å; F497-V568 VanDerWaalsContact CZ-CB 3.41Å; F497-V568 HydrophobicContact CZ-CG1 3.66Å; F497-V568 HydrophobicContact CZ-CG2 3.71Å; F497-V568 PolarHBondContact N-O 3.07Å; F497-V568 PolarHBondContact O-N 3.41Å; F497-L582 HydrophobicContact CE1-CD2 3.66Å; F497-L582 HydrophobicContact CZ-CD2 3.51Å; F497-V585 HydrophobicContact CE2-CG2 3.9Å; F497-V585 HydrophobicContact CZ-CG2 3.78Å
498	I	96.1	Very high	90.3	Very high	7 Å²	7	40 Å²	40	4%	0.036	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.2	-178.9	-62.4	175.7	0	0	0	109	V462 V463 M464 W496 Y533 W538 I566 K567	V462-I498 CarbonylContact C-O 3.39Å; V462-I498 WeakPolarHBondContact CA-O 3.35Å; V462-I498 WeakPolarHBondContact CG1-O 3.37Å; V463-I498 HydrophobicContact CB-CG2 4.18Å; V463-I498 HydrophobicContact CG2-CG2 4.46Å; V463-I498 PolarHBondContact N-O 3.38Å; M464-I498 PolarHBondContact O-N 2.88Å; W496-I498 HydrophobicContact CE3-CD1 4.18Å; W496-I498 HydrophobicContact CE3-CG1 3.97Å; W496-I498 HydrophobicContact CZ3-CD1 3.72Å; W496-I498 HydrophobicContact CZ3-CG1 3.88Å; I498-Y533 HydrophobicContact CD1-CE2 3.79Å; I498-Y533 HydrophobicContact CG2-CD2 4.34Å; I498-Y533 HydrophobicContact CG2-CE2 4.25Å; I498-W538 HydrophobicContact CD1-CH2 4Å; I498-W538 HydrophobicContact CD1-CZ2 3.94Å; I498-W538 HydrophobicContact CG1-CH2 4.32Å; I498-W538 HydrophobicContact CG2-CH2 4.07Å; I498-I566 CarbonylContact C-O 3.57Å; I498-I566 VanDerWaalsContact CA-O 3.23Å; I498-I566 WeakPolarHBondContact CA-O 3.44Å; I498-K567 HydrophobicContact CD1-CD 4.28Å; I498-K567 HydrophobicContact CD1-CG 4.38Å; I498-K567 HydrophobicContact CG1-CB 3.95Å; I498-K567 HydrophobicContact CG1-CD 4.19Å; I498-K567 HydrophobicContact CG1-CG 3.74Å
499	I	96.4	Very high	90.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.2	177.2	-60.1	161.2	0	0	0	108.7	A454 K461 V462 L476 F497 L501 Y565 I566 V585	A454-I499 HydrophobicContact CB-CG2 4.36Å; K461-I499 WeakPolarHBondContact O-CA 3.28Å; V462-I499 HydrophobicContact CG2-CG1 4.24Å; L476-I499 HydrophobicContact CD1-CG2 4.39Å; L476-I499 HydrophobicContact CD2-CD1 3.63Å; L476-I499 HydrophobicContact CD2-CG1 3.95Å; L476-I499 HydrophobicContact CD2-CG2 4Å; F497-I499 HydrophobicContact CD2-CD1 3.94Å; F497-I499 HydrophobicContact CD2-CG1 4.07Å; F497-I499 HydrophobicContact CE2-CD1 3.75Å; F497-I499 HydrophobicContact CE2-CG1 4.39Å; I499-L501 HydrophobicContact CG2-CD2 4.3Å; I499-Y565 WeakPolarHBondContact O-CA 3.44Å; I499-I566 HydrophobicContact CB-CD1 4.31Å; I499-I566 HydrophobicContact CB-CG1 3.8Å; I499-I566 HydrophobicContact CD1-CD1 3.98Å; I499-I566 HydrophobicContact CD1-CG1 4.39Å; I499-I566 PolarHBondContact N-O 3.42Å; I499-I566 PolarHBondContact O-N 3.46Å; I499-V585 HydrophobicContact CD1-CB 4.23Å; I499-V585 HydrophobicContact CD1-CG1 3.95Å
500	E	96.9	Very high	90.4	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118	161.2	-176	175	167.5	0	0	108.2	A460 K461 V463 R564 Y565	A460-E500 VanDerWaalsContact CA-O 3.3Å; A460-E500 WeakPolarHBondContact CA-O 3.14Å; A460-E500 WeakPolarHBondContact CB-O 3.34Å; K461-E500 WeakPolarHBondContact CE-OE2 3.37Å; K461-E500 HydrophobicContact CG-CB 4.2Å; K461-E500 PolarHBondContact N-O 3.05Å; K461-E500 VanDerWaalsContact NZ-CD 3.33Å; K461-E500 IonicContact NZ-OE1 3.5Å; K461-E500 IonicContact NZ-OE2 2.59Å; K461-E500 PolarHBondContact NZ-OE2 3.45Å; K461-E500 PolarHBondContact O-N 2.92Å; V463-E500 HydrophobicContact CG2-CB 3.56Å; E500-R564 HydrophobicContact CG-CG 4.28Å; E500-R564 IonicContact OE1-CZ 2.71Å; E500-R564 IonicContact OE1-NE 2.87Å; E500-R564 PolarHBondContact OE1-NE 2.91Å; E500-R564 VanDerWaalsContact OE1-NE 3.15Å; E500-R564 IonicContact OE1-NH2 2.65Å; E500-R564 PolarHBondContact OE1-NH2 3.41Å; E500-Y565 HydrophobicContact CB-CD1 3.79Å; E500-Y565 HydrophobicContact CB-CE1 3.61Å; E500-Y565 HydrophobicContact CG-CD1 4.01Å; E500-Y565 HydrophobicContact CG-CE1 3.47Å; E500-Y565 VanDerWaalsContact CG-CE1 3.47Å
501	L	95.4	Very high	90.8	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	152.5	173.6	-54.8	179	0	0	0	109.9	Y453 A454 I499 E503 V505 I507 R564 I566 V587	Y453-L501 WeakPolarHBondContact O-CA 3.31Å; A454-L501 HydrophobicContact CB-CD2 4.02Å; I499-L501 HydrophobicContact CG2-CD2 4.3Å; L501-E503 WeakPolarHBondContact CB-O 3.49Å; L501-E503 PolarHBondContact O-N 3.36Å; L501-V505 HydrophobicContact CD1-CB 4.28Å; L501-I507 HydrophobicContact CD1-CD1 4.23Å; L501-R564 PolarHBondContact N-O 3.48Å; L501-I566 HydrophobicContact CD1-CG2 4.39Å; L501-I566 HydrophobicContact CD2-CG1 4.45Å; L501-V587 HydrophobicContact CD1-CG1 4.05Å; L501-V587 HydrophobicContact CD2-CB 4Å; L501-V587 HydrophobicContact CD2-CG1 4.06Å; L501-V587 HydrophobicContact CD2-CG2 3.99Å
502	C	93.8	Very high	91.5	Very high	35 Å²	35	29.8 Å²	29.8	24%	0.236	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-24.6	179.8	50.7	0	0	0	0	114	Y453 C458	Y453-C502 PolarHBondContact O-N 3.02Å; Y453-C502 VanDerWaalsContact O-N 3.12Å; Y453-C502 PolarHBondContact O-SG 3.44Å; Y453-C502 VanDerWaalsContact O-SG 3.4Å; C458-C502 HydrophobicContact CB-CB 3.69Å; C458-C502 WeakPolarHBondContact CB-SG 3.43Å; C458-C502 WeakPolarHBondContact O-CB 3.39Å; C458-C502 WeakPolarHBondContact SG-CB 3.25Å; C458-C502 CovalentContact SG-SG 2.04Å; C458-C502 PolarHBondContact SG-SG 3.42Å
503	E	93	Very high	92.3	Very high	54 Å²	54	21 Å²	21	25%	0.252	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	170.1	178.9	-67.2	178.4	-144.3	0	0	110.1	R451 Y453 L501 V505 S591	R451-E503 IonicContact CZ-OE1 2.69Å; R451-E503 IonicContact NH1-OE1 2.77Å; R451-E503 PolarHBondContact NH1-OE1 3.04Å; R451-E503 IonicContact NH1-OE2 2.67Å; R451-E503 IonicContact NH2-OE1 2.68Å; R451-E503 PolarHBondContact NH2-OE1 3.49Å; Y453-E503 HydrophobicContact CD1-CB 4.2Å; L501-E503 WeakPolarHBondContact CB-O 3.49Å; L501-E503 PolarHBondContact O-N 3.36Å; E503-V505 HydrophobicContact CB-CG2 4.29Å; E503-S591 WeakPolarHBondContact OE2-CB 3.4Å; E503-S591 PolarHBondContact OE2-OG 2.86Å
504	T	92.7	Very high	92.9	Very high	39 Å²	39	20 Å²	20	24%	0.239	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.4	167.8	-55	0	0	0	0	109.1	Y562 A563 M592	T504-Y562 HydrophobicContact CG2-CD1 4.1Å; T504-Y562 HydrophobicContact CG2-CG 4.43Å; T504-A563 WeakPolarHBondContact CA-O 3.44Å; T504-M592 PolarHBondContact O-N 3.03Å
505	V	90.6	Very high	93.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.2	-163.7	176	0	0	0	0	111.1	Y453 L501 E503 I507 Y562 A563 I590	Y453-V505 HydrophobicContact CD1-CG2 3.43Å; Y453-V505 VanDerWaalsContact CD1-CG2 3.43Å; Y453-V505 HydrophobicContact CD2-CG1 4.1Å; Y453-V505 HydrophobicContact CD2-CG2 4Å; Y453-V505 HydrophobicContact CE1-CG2 3.94Å; Y453-V505 HydrophobicContact CE2-CG1 4.43Å; Y453-V505 HydrophobicContact CE2-CG2 4.48Å; Y453-V505 HydrophobicContact CG-CG1 4.38Å; Y453-V505 HydrophobicContact CG-CG2 3.47Å; Y453-V505 VanDerWaalsContact CG-CG2 3.47Å; L501-V505 HydrophobicContact CD1-CB 4.28Å; E503-V505 HydrophobicContact CB-CG2 4.29Å; V505-I507 HydrophobicContact CG1-CG1 4.32Å; V505-I507 PolarHBondContact O-N 3.5Å; V505-Y562 VanDerWaalsContact C-CD1 3.48Å; V505-A563 PolarHBondContact N-O 2.88Å; V505-A563 PolarHBondContact O-N 3.26Å; V505-I590 CarbonylContact C-O 3.56Å; V505-I590 WeakPolarHBondContact CA-O 3.11Å
506	Q	90.8	Very high	92.9	Very high	38 Å²	38	19.8 Å²	19.8	18%	0.178	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	105.8	163	-170.4	-158.9	-31.6	0	0	108	S508 S559 Y562 G589 I590	Q506-S508 PolarHBondContact O-N 3.34Å; Q506-S559 PolarHBondContact NE2-O 2.97Å; Q506-Y562 HydrophobicContact CB-CD1 4.11Å; Q506-Y562 HydrophobicContact CB-CE1 3.78Å; Q506-Y562 HydrophobicContact CB-CE2 4.45Å; Q506-G589 WeakPolarHBondContact O-CA 3.47Å; Q506-I590 HydrophobicContact CB-CG1 4.01Å; Q506-I590 PolarHBondContact N-O 2.85Å; Q506-I590 PolarHBondContact O-N 3.34Å
507	I	90.9	Very high	92.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124	-172.2	-58.2	177	0	0	0	110.2	L501 V505 V510 T529 L541 V557 A563 I566 V587	L501-I507 HydrophobicContact CD1-CD1 4.23Å; V505-I507 HydrophobicContact CG1-CG1 4.32Å; V505-I507 PolarHBondContact O-N 3.5Å; I507-V510 HydrophobicContact CG2-CG2 3.81Å; I507-T529 HydrophobicContact CD1-CG2 4.06Å; I507-L541 HydrophobicContact CB-CD1 4.34Å; I507-L541 HydrophobicContact CD1-CD1 4.03Å; I507-V557 HydrophobicContact CG2-CB 4.33Å; I507-V557 HydrophobicContact CG2-CG2 4.02Å; I507-V557 WeakPolarHBondContact O-CB 3.45Å; I507-V557 VanDerWaalsContact O-CG1 3.32Å; I507-V557 WeakPolarHBondContact O-CG1 3.19Å; I507-A563 HydrophobicContact CD1-CB 4.13Å; I507-I566 HydrophobicContact CD1-CG2 3.42Å; I507-I566 VanDerWaalsContact CD1-CG2 3.42Å; I507-V587 HydrophobicContact CB-CG1 4.46Å; I507-V587 HydrophobicContact CD1-CG1 3.8Å; I507-V587 HydrophobicContact CG1-CG1 3.76Å; I507-V587 HydrophobicContact CG2-CG1 3.98Å
508	S	89.6	Confident	91.8	Very high	36 Å²	36	31.4 Å²	31.4	25%	0.252	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-31.1	-179.8	69.7	0	0	0	0	113.3	Q506 V557 L588	Q506-S508 PolarHBondContact O-N 3.34Å; S508-V557 PolarHBondContact O-N 3.21Å; S508-L588 PolarHBondContact N-O 3.12Å; S508-L588 PolarHBondContact OG-O 2.89Å
509	C	91.8	Very high	91.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	142.2	178.4	-173.5	0	0	0	0	109.6	Y555 L588	C509-Y555 CarbonylContact C-O 3.56Å; C509-Y555 VanDerWaalsContact CA-O 3.28Å; C509-Y555 WeakPolarHBondContact CA-O 3.27Å; C509-Y555 PolarHBondContact SG-O 3.09Å; C509-Y555 VanDerWaalsContact SG-O 3.39Å; C509-L588 HydrophobicContact CB-CB 4.27Å; C509-L588 PolarHBondContact N-O 3.25Å; C509-L588 PolarHBondContact O-N 3.44Å
510	V	93.3	Very high	91.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.2	166.1	175.5	0	0	0	0	108.2	I507 M512 L527 Y555 V557 V585 R586 V587	I507-V510 HydrophobicContact CG2-CG2 3.81Å; V510-M512 HydrophobicContact CG1-CG 4.29Å; V510-M512 HydrophobicContact CG1-SD 4.49Å; V510-L527 HydrophobicContact CB-CD2 4.4Å; V510-L527 HydrophobicContact CG2-CD2 3.57Å; V510-Y555 PolarHBondContact N-O 3.36Å; V510-Y555 WeakPolarHBondContact O-CD2 3.46Å; V510-Y555 PolarHBondContact O-N 3.34Å; V510-V557 HydrophobicContact CG2-CG2 4.48Å; V510-V585 HydrophobicContact CG1-CG1 4.48Å; V510-R586 CarbonylContact C-O 3.58Å; V510-R586 VanDerWaalsContact CA-O 3.31Å; V510-R586 WeakPolarHBondContact CA-O 3.29Å; V510-R586 WeakPolarHBondContact CG1-O 3.35Å; V510-V587 HydrophobicContact CG2-CG2 4.25Å
511	E	93.9	Very high	90.9	Very high	17 Å²	17	30.6 Å²	30.6	8%	0.079	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.3	175.5	-42.6	-175.7	155	0	0	109.2	I552 Q553 R554 V585 R586 L588	E511-I552 HydrophobicContact CB-CG2 3.91Å; E511-Q553 CarbonylContact C-O 3.54Å; E511-Q553 VanDerWaalsContact CA-O 3.22Å; E511-Q553 WeakPolarHBondContact CA-O 3.22Å; E511-R554 HydrophobicContact CG-CG 4.32Å; E511-R554 IonicContact OE1-CZ 3.45Å; E511-R554 IonicContact OE1-NE 3.26Å; E511-R554 PolarHBondContact OE1-NE 3.14Å; E511-R554 IonicContact OE1-NH2 2.71Å; E511-R554 PolarHBondContact OE1-NH2 3.45Å; E511-V585 CarbonylContact O-C 3.57Å; E511-V585 WeakPolarHBondContact O-CA 3.23Å; E511-R586 HydrophobicContact CB-CB 4.03Å; E511-R586 HydrophobicContact CG-CB 4.29Å; E511-R586 PolarHBondContact N-O 3.38Å; E511-R586 PolarHBondContact O-N 3.17Å; E511-R586 WeakPolarHBondContact OE2-CD 3.26Å; E511-R586 IonicContact OE2-NH1 2.9Å; E511-L588 HydrophobicContact CG-CD1 4.31Å; E511-L588 WeakPolarHBondContact OE1-CD1 3.25Å
512	M	93.4	Very high	90.7	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.03	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.4	179.9	-73.9	171.7	54.8	0	0	110.5	V510 F525 Q553 Y555 V568 L570 L582 L584 V585	V510-M512 HydrophobicContact CG1-CG 4.29Å; V510-M512 HydrophobicContact CG1-SD 4.49Å; M512-F525 HydrophobicContact CE-CD1 4.45Å; M512-F525 HydrophobicContact CE-CD2 4.04Å; M512-F525 HydrophobicContact CE-CE2 4.27Å; M512-F525 HydrophobicContact CE-CG 4.14Å; M512-F525 HydrophobicContact SD-CD2 3.8Å; M512-F525 HydrophobicContact SD-CE2 3.51Å; M512-F525 VanDerWaalsContact SD-CE2 3.51Å; M512-F525 HydrophobicContact SD-CG 4.44Å; M512-F525 HydrophobicContact SD-CZ 3.92Å; M512-Q553 PolarHBondContact N-O 3Å; M512-Q553 PolarHBondContact O-N 3.12Å; M512-Y555 HydrophobicContact CB-CE2 4.17Å; M512-V568 HydrophobicContact CE-CG1 4.13Å; M512-V568 HydrophobicContact SD-CG1 4.28Å; M512-L570 HydrophobicContact CE-CD2 4.06Å; M512-L582 HydrophobicContact CB-CD1 4.37Å; M512-L582 HydrophobicContact CE-CD1 3.99Å; M512-L582 HydrophobicContact CE-CD2 3.96Å; M512-L584 WeakPolarHBondContact CA-O 3.21Å; M512-V585 HydrophobicContact CG-CG2 4.29Å
513	A	92	Very high	90.7	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.017	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	144.3	177.3	0	0	0	0	0	112.4	F515 I552 L582 S583 L584	A513-F515 HydrophobicContact CB-CD1 4.25Å; A513-F515 HydrophobicContact CB-CE1 3.59Å; A513-F515 HydrophobicContact CB-CE2 4.37Å; A513-F515 HydrophobicContact CB-CZ 3.65Å; A513-I552 HydrophobicContact CB-CB 4.39Å; A513-I552 HydrophobicContact CB-CG1 4Å; A513-L582 WeakPolarHBondContact O-CD1 3.19Å; A513-S583 PolarHBondContact O-N 2.77Å; A513-L584 HydrophobicContact CB-CB 4.14Å; A513-L584 PolarHBondContact N-O 2.81Å; A513-L584 VanDerWaalsContact N-O 3.16Å; A513-L584 PolarHBondContact O-N 3.36Å
514	N	92.3	Very high	90.8	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.159	C	C	.	.			trans	-115.9	118.2	162.2	174.8	22.8	0	0	0	107.6	E516 S519 S521 R550	N514-E516 PolarHBondContact OD1-N 2.77Å; N514-S519 PolarHBondContact ND2-OG 3.11Å; N514-S521 PolarHBondContact ND2-OG 3.37Å; N514-R550 WeakPolarHBondContact O-CA 3.43Å; N514-R550 WeakPolarHBondContact O-CD 3.43Å
515	F	89.9	Confident	90.9	Very high	52 Å²	52	30.2 Å²	30.2	23%	0.228	15%	0.148	C	C	.	.			trans	-94.6	-11.3	178.3	-57.2	-47.7	0	0	0	113.3	N481 A513 L517 R550 I552 S583 L584	N481-F515 HydrophobicContact CB-CD2 3.85Å; N481-F515 HydrophobicContact CB-CE2 4.09Å; N481-F515 WeakPolarHBondContact OD1-CE2 3.26Å; A513-F515 HydrophobicContact CB-CD1 4.25Å; A513-F515 HydrophobicContact CB-CE1 3.59Å; A513-F515 HydrophobicContact CB-CE2 4.37Å; A513-F515 HydrophobicContact CB-CZ 3.65Å; F515-L517 PolarHBondContact O-N 3.19Å; F515-R550 WeakPolarHBondContact CD1-O 3.13Å; F515-I552 HydrophobicContact CE1-CG1 4.07Å; F515-I552 HydrophobicContact CZ-CD1 4.37Å; F515-I552 HydrophobicContact CZ-CG1 3.97Å; F515-S583 PolarHBondContact N-OG 2.88Å; F515-L584 HydrophobicContact CE2-CB 4.39Å; F515-L584 HydrophobicContact CZ-CD2 4.39Å
516	E	88.4	Confident	91.1	Very high	51 Å²	51	34.4 Å²	34.4	24%	0.238	16%	0.163	C	C	.	.			trans	-75.3	116.3	-175.8	177.2	53.6	-100.2	0	0	111.5	Y484 N514 F518 S519 R550 P581	Y484-E516 PolarHBondContact OH-OE2 2.9Å; N514-E516 PolarHBondContact OD1-N 2.77Å; E516-F518 PolarHBondContact O-N 3.16Å; E516-F518 PolarHBondContact OE1-N 3.37Å; E516-S519 WeakPolarHBondContact CB-OG 3.35Å; E516-S519 PolarHBondContact O-OG 3.44Å; E516-R550 PolarHBondContact O-NE 3Å; E516-P581 HydrophobicContact CB-CG 4.02Å; E516-P581 HydrophobicContact CG-CG 4.38Å
517	L	83.3	Confident	91.3	Very high	124 Å²	124	32.6 Å²	32.6	65%	0.649	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-38.7	-177.1	-66.8	171.3	0	0	0	112.4	F515 S519 R550	F515-L517 PolarHBondContact O-N 3.19Å; L517-S519 PolarHBondContact O-N 3.03Å; L517-R550 HydrophobicContact CD2-CG 4.4Å
518	F	83	Confident	91.5	Very high	168 Å²	168	33.4 Å²	33.4	74%	0.737	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	49.5	-174.3	-58.7	-72.9	0	0	0	111.9	E516	E516-F518 PolarHBondContact O-N 3.16Å; E516-F518 PolarHBondContact OE1-N 3.37Å
519	S	88.7	Confident	91.8	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.063	15%	0.148	C	C	.	.	S	Bend	trans	-145.7	162.2	-177.2	71.1	0	0	0	0	114	N514 E516 L517 R550 P581	N514-S519 PolarHBondContact ND2-OG 3.11Å; E516-S519 WeakPolarHBondContact CB-OG 3.35Å; E516-S519 PolarHBondContact O-OG 3.44Å; L517-S519 PolarHBondContact O-N 3.03Å; S519-R550 PolarHBondContact O-NH2 2.96Å; S519-P581 VanDerWaalsContact CB-CD 3.41Å; S519-P581 VanDerWaalsContact OG-CG 3.27Å; S519-P581 WeakPolarHBondContact OG-CG 3.38Å
520	S	91.2	Very high	91.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-79.8	118.7	173.7	-65.1	0	0	0	0	110.3	C489 Y574 E577 F579 C580	C489-S520 WeakPolarHBondContact SG-CB 3.26Å; S520-Y574 CarbonylContact C-O 3.46Å; S520-Y574 WeakPolarHBondContact CA-O 3.44Å; S520-Y574 WeakPolarHBondContact CB-O 3.47Å; S520-Y574 PolarHBondContact OG-O 2.86Å; S520-E577 PolarHBondContact OG-N 3.46Å; S520-E577 PolarHBondContact OG-O 2.88Å; S520-F579 PolarHBondContact N-O 2.85Å; S520-F579 VanDerWaalsContact N-O 3.15Å; S520-C580 WeakPolarHBondContact O-CA 3.43Å
521	S	91.3	Very high	91.8	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.021	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-78.9	150.4	177.5	-65	0	0	0	0	111.8	N514 D548 R550 H573 Y574	N514-S521 PolarHBondContact ND2-OG 3.37Å; S521-D548 WeakPolarHBondContact CB-OD1 3.38Å; S521-D548 PolarHBondContact OG-OD1 2.89Å; S521-R550 PolarHBondContact OG-NH1 3.24Å; S521-R550 PolarHBondContact OG-NH2 2.81Å; S521-H573 CarbonylContact O-C 3.59Å; S521-H573 WeakPolarHBondContact O-CA 3.42Å; S521-H573 VanDerWaalsContact O-CB 3.3Å; S521-H573 WeakPolarHBondContact O-CB 3.48Å; S521-Y574 PolarHBondContact N-O 2.92Å; S521-Y574 PolarHBondContact O-N 3.38Å
522	P	91.8	Very high	91.6	Very high	12 Å²	12	44.9 Å²	44.9	8%	0.078	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-59.4	145.4	168.9	27.4	-35.4	0	0	0	111.3	L570 L582	P522-L570 HydrophobicContact CB-CD2 4.08Å; P522-L582 HydrophobicContact CG-CD1 4.4Å
523	K	93.5	Very high	91.4	Very high	59 Å²	59	48 Å²	48	26%	0.257	22%	0.215	S	C	.	.			trans	-113.8	-87.8	177.5	173.7	174.7	172.5	-72.9	0	110.1	T545 A546 S572 Y574	K523-T545 HydrophobicContact CG-CG2 4.04Å; K523-T545 CarbonylContact O-C 3.55Å; K523-T545 WeakPolarHBondContact O-CA 3.16Å; K523-A546 PolarHBondContact O-N 3.39Å; K523-S572 WeakPolarHBondContact CB-OG 3.48Å; K523-S572 WeakPolarHBondContact CG-OG 3.05Å; K523-S572 PolarHBondContact N-O 3.38Å; K523-Y574 HydrophobicContact CB-CD2 3.6Å; K523-Y574 HydrophobicContact CB-CE2 3.52Å; K523-Y574 HydrophobicContact CB-CG 4.2Å; K523-Y574 HydrophobicContact CD-CD1 4.16Å; K523-Y574 HydrophobicContact CD-CE1 3.84Å; K523-Y574 HydrophobicContact CD-CE2 4.21Å; K523-Y574 HydrophobicContact CD-CG 4.48Å; K523-Y574 HydrophobicContact CG-CD2 4.15Å; K523-Y574 HydrophobicContact CG-CE1 4.16Å; K523-Y574 HydrophobicContact CG-CE2 3.64Å
524	E	94.5	Very high	91.2	Very high	51 Å²	51	53.4 Å²	53.4	24%	0.238	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.1	167.5	-78.4	88.3	-138.3	0	0	110.1	L571 S572	E524-L571 HydrophobicContact CB-CB 3.95Å; E524-L571 HydrophobicContact CB-CD1 4.29Å; E524-L571 WeakPolarHBondContact O-CB 3.26Å; E524-L571 PolarHBondContact O-N 2.69Å; E524-S572 WeakPolarHBondContact CB-OG 3.47Å; E524-S572 PolarHBondContact N-OG 2.74Å; E524-S572 PolarHBondContact O-N 2.89Å; E524-S572 VanDerWaalsContact O-N 3.15Å; E524-S572 WeakPolarHBondContact OE2-CB 3.12Å; E524-S572 PolarHBondContact OE2-OG 2.93Å
525	F	95	Very high	90.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.1	167.2	74.4	-81.3	0	0	0	110.7	M512 E543 W544 A546 Y555 V568 E569 L570	M512-F525 HydrophobicContact CE-CD1 4.45Å; M512-F525 HydrophobicContact CE-CD2 4.04Å; M512-F525 HydrophobicContact CE-CE2 4.27Å; M512-F525 HydrophobicContact CE-CG 4.14Å; M512-F525 HydrophobicContact SD-CD2 3.8Å; M512-F525 HydrophobicContact SD-CE2 3.51Å; M512-F525 VanDerWaalsContact SD-CE2 3.51Å; M512-F525 HydrophobicContact SD-CG 4.44Å; M512-F525 HydrophobicContact SD-CZ 3.92Å; F525-E543 WeakPolarHBondContact O-CA 3.24Å; F525-W544 WeakPolarHBondContact CD1-O 3.49Å; F525-W544 HydrophobicContact CD2-CE3 4.49Å; F525-W544 HydrophobicContact CE1-CB 3.83Å; F525-W544 AromaticContact CE2-CE3 3.67Å; F525-W544 HydrophobicContact CE2-CE3 3.67Å; F525-W544 HydrophobicContact CE2-CZ3 4.22Å; F525-W544 HydrophobicContact CZ-CB 3.94Å; F525-W544 HydrophobicContact CZ-CD2 4.31Å; F525-W544 AromaticContact CZ-CE3 3.78Å; F525-W544 HydrophobicContact CZ-CE3 3.78Å; F525-W544 HydrophobicContact CZ-CG 4.43Å; F525-W544 PolarHBondContact N-O 3.4Å; F525-W544 PolarHBondContact O-N 3.05Å; F525-A546 HydrophobicContact CD1-CB 4.41Å; F525-A546 HydrophobicContact CE1-CB 4.29Å; F525-Y555 HydrophobicContact CE1-CD1 4.13Å; F525-Y555 HydrophobicContact CE1-CD2 4.41Å; F525-Y555 AromaticContact CE1-CE1 3.64Å; F525-Y555 HydrophobicContact CE1-CE1 3.64Å; F525-Y555 AromaticContact CE1-CE2 3.97Å; F525-Y555 HydrophobicContact CE1-CE2 3.97Å; F525-Y555 HydrophobicContact CE1-CG 4.48Å; F525-Y555 AromaticContact CE1-CZ 3.54Å; F525-Y555 AromaticContact CZ-CD1 3.79Å; F525-Y555 HydrophobicContact CZ-CD1 3.79Å; F525-Y555 AromaticContact CZ-CD2 3.7Å; F525-Y555 HydrophobicContact CZ-CD2 3.7Å; F525-Y555 AromaticContact CZ-CE1 3.75Å; F525-Y555 HydrophobicContact CZ-CE1 3.75Å; F525-Y555 AromaticContact CZ-CE2 3.68Å; F525-Y555 HydrophobicContact CZ-CE2 3.68Å; F525-Y555 AromaticContact CZ-CG 3.76Å; F525-Y555 HydrophobicContact CZ-CG 3.76Å; F525-Y555 AromaticContact CZ-CZ 3.69Å; F525-V568 HydrophobicContact CD2-CG1 4.26Å; F525-E569 CarbonylContact C-O 3.56Å; F525-E569 VanDerWaalsContact CA-O 3.23Å; F525-E569 WeakPolarHBondContact CA-O 3.37Å; F525-E569 WeakPolarHBondContact CB-O 3.48Å; F525-L570 HydrophobicContact CB-CD2 3.81Å
526	R	95.1	Very high	90.7	Very high	87 Å²	87	58.6 Å²	58.6	33%	0.328	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.4	175.4	64.1	179.7	-174.1	-178.3	3.6	112.5	L528 L540 G542 E543 E569 L571	R526-L528 HydrophobicContact CG-CD1 4.08Å; R526-L540 HydrophobicContact CB-CD1 3.97Å; R526-G542 WeakPolarHBondContact CA-O 3.48Å; R526-E543 HydrophobicContact CB-CB 4Å; R526-E543 HydrophobicContact CB-CG 3.97Å; R526-E569 HydrophobicContact CG-CB 3.95Å; R526-E569 HydrophobicContact CG-CG 4.44Å; R526-E569 IonicContact CZ-OE2 3.73Å; R526-E569 PolarHBondContact N-O 2.82Å; R526-E569 IonicContact NE-OE2 2.69Å; R526-E569 PolarHBondContact NE-OE2 3.45Å; R526-E569 IonicContact NH2-OE2 3.34Å; R526-E569 PolarHBondContact NH2-OE2 3.13Å; R526-E569 PolarHBondContact O-N 3.38Å; R526-L571 HydrophobicContact CB-CD1 4.27Å; R526-L571 HydrophobicContact CG-CD1 4.08Å; R526-L571 HydrophobicContact CG-CD2 4.15Å; R526-L571 HydrophobicContact CG-CG 4.28Å
527	L	94.9	Very high	90.7	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.5	-178.4	-178.4	71.2	0	0	0	109.6	V510 L541 G542 W544 V557 I566 K567 V568	V510-L527 HydrophobicContact CB-CD2 4.4Å; V510-L527 HydrophobicContact CG2-CD2 3.57Å; L527-L541 HydrophobicContact CB-CB 4.45Å; L527-L541 HydrophobicContact CD2-CB 4.04Å; L527-L541 HydrophobicContact CD2-CD1 3.57Å; L527-L541 HydrophobicContact CD2-CG 4.41Å; L527-L541 HydrophobicContact CG-CB 4.25Å; L527-L541 HydrophobicContact CG-CD1 4.05Å; L527-L541 PolarHBondContact O-N 2.93Å; L527-G542 PolarHBondContact N-O 3.49Å; L527-W544 HydrophobicContact CB-CH2 4.38Å; L527-W544 HydrophobicContact CB-CZ3 3.72Å; L527-W544 HydrophobicContact CD2-CH2 4.23Å; L527-W544 HydrophobicContact CD2-CZ3 4.21Å; L527-V557 HydrophobicContact CD2-CG2 4.38Å; L527-I566 HydrophobicContact CD1-CB 3.99Å; L527-I566 HydrophobicContact CD1-CD1 4.1Å; L527-I566 HydrophobicContact CD1-CG2 4.35Å; L527-K567 WeakPolarHBondContact CA-O 3.41Å; L527-V568 HydrophobicContact CD1-CG2 3.83Å
528	L	95	Very high	91.1	Very high	20 Å²	20	59.1 Å²	59.1	11%	0.105	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	156.9	174.3	-49.7	91.1	0	0	0	110.8	R526 W538 H539 L540 I566 K567 E569	R526-L528 HydrophobicContact CG-CD1 4.08Å; L528-W538 HydrophobicContact CB-CB 4.11Å; L528-W538 HydrophobicContact CB-CE3 4.08Å; L528-W538 HydrophobicContact CD2-CB 3.86Å; L528-H539 CarbonylContact C-O 3.58Å; L528-H539 VanDerWaalsContact CA-O 3.23Å; L528-H539 WeakPolarHBondContact CA-O 3.35Å; L528-L540 HydrophobicContact CG-CD1 4.22Å; L528-I566 CarbonylContact O-C 3.59Å; L528-I566 WeakPolarHBondContact O-CA 3.1Å; L528-K567 HydrophobicContact CB-CB 4.39Å; L528-K567 PolarHBondContact N-O 3.46Å; L528-K567 PolarHBondContact O-N 3.48Å; L528-E569 HydrophobicContact CD1-CG 3.96Å
529	T	94.8	Very high	91.6	Very high	2 Å²	2	55 Å²	55	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.9	-177.9	41.4	0	0	0	0	113.9	I507 H539 L541 A563 Y565 I566	I507-T529 HydrophobicContact CD1-CG2 4.06Å; T529-H539 PolarHBondContact N-O 3.38Å; T529-H539 PolarHBondContact O-N 3.4Å; T529-H539 PolarHBondContact OG1-O 3.27Å; T529-L541 HydrophobicContact CG2-CD1 3.4Å; T529-L541 HydrophobicContact CG2-CD2 4.36Å; T529-L541 HydrophobicContact CG2-CG 3.74Å; T529-A563 HydrophobicContact CG2-CB 3.42Å; T529-A563 VanDerWaalsContact CG2-CB 3.42Å; T529-Y565 WeakPolarHBondContact CA-O 3.49Å; T529-I566 HydrophobicContact CG2-CG2 3.88Å
530	S	94.2	Very high	91.8	Very high	12 Å²	12	59.3 Å²	59.3	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.1	160	-176.2	0	0	0	0	111.4	R532 S535 R564 Y565	S530-R532 VanDerWaalsContact C-N 3.34Å; S530-R532 WeakPolarHBondContact CB-O 3.5Å; S530-R532 PolarHBondContact OG-N 3.48Å; S530-R532 VanDerWaalsContact OG-N 3.09Å; S530-R532 PolarHBondContact OG-O 3.3Å; S530-S535 WeakPolarHBondContact CB-OG 3.49Å; S530-S535 WeakPolarHBondContact OG-CB 3.44Å; S530-S535 PolarHBondContact OG-OG 2.98Å; S530-R564 PolarHBondContact O-N 3.43Å; S530-R564 VanDerWaalsContact O-N 3.08Å; S530-Y565 PolarHBondContact N-O 3.35Å; S530-Y565 PolarHBondContact O-N 3.01Å
531	E	91.3	Very high	91.8	Very high	102 Å²	102	60.5 Å²	60.5	48%	0.477	30%	0.3	S	S	.	.	S	Bend	trans	-76.3	-22.4	166.4	-65.7	-172.9	166.2	0	0	112.8	Y565	E531-Y565 WeakPolarHBondContact O-CE2 3.34Å
532	R	90	Very high	91.7	Very high	180 Å²	180	61.1 Å²	61.1	68%	0.679	31%	0.306	S	S	*	.	S	Bend	trans	-129.6	152.4	-167.3	-61.7	179.9	-170.2	-89.6	-10	111.2	S530 S535	S530-R532 VanDerWaalsContact C-N 3.34Å; S530-R532 WeakPolarHBondContact CB-O 3.5Å; S530-R532 PolarHBondContact OG-N 3.48Å; S530-R532 VanDerWaalsContact OG-N 3.09Å; S530-R532 PolarHBondContact OG-O 3.3Å; R532-S535 WeakPolarHBondContact O-CB 3.37Å
533	Y	88.9	Confident	91.8	Very high	72 Å²	72	65.4 Å²	65.4	28%	0.282	33%	0.325	S	S	.	.	S	Bend	trans	-142.1	137.3	174.9	-172	-91.4	0	0	0	110.4	V463 M464 I498 W538 Y565	V463-Y533 HydrophobicContact CG1-CD1 3.78Å; V463-Y533 HydrophobicContact CG1-CE1 3.43Å; V463-Y533 VanDerWaalsContact CG1-CE1 3.43Å; V463-Y533 HydrophobicContact CG1-CE2 4.36Å; V463-Y533 HydrophobicContact CG1-CG 4.38Å; M464-Y533 WeakPolarHBondContact CE-OH 3.49Å; M464-Y533 PolarHBondContact SD-OH 3.03Å; I498-Y533 HydrophobicContact CD1-CE2 3.79Å; I498-Y533 HydrophobicContact CG2-CD2 4.34Å; I498-Y533 HydrophobicContact CG2-CE2 4.25Å; Y533-W538 HydrophobicContact CD2-CH2 4.47Å; Y533-W538 HydrophobicContact CD2-CZ2 4.28Å; Y533-W538 HydrophobicContact CE2-CZ2 4.44Å; Y533-Y565 VanDerWaalsContact CB-CE1 3.45Å; Y533-Y565 HydrophobicContact CD2-CD1 4.5Å; Y533-Y565 HydrophobicContact CG-CD1 4.21Å; Y533-Y565 HydrophobicContact CG-CE1 4.18Å
534	P	87.9	Confident	91.9	Very high	115 Å²	115	65.2 Å²	65.2	75%	0.747	32%	0.323	S	S	*	.	S	Bend	cis	-63.9	147.5	-8.1	29.4	-35.7	0	0	0	111.8
535	S	85.3	Confident	91.9	Very high	31 Å²	31	66.8 Å²	66.8	22%	0.217	34%	0.336	C	S	.	.			trans	-114.7	131.6	-179.9	-153.5	0	0	0	0	110.9	S530 R532 E537 W538	S530-S535 WeakPolarHBondContact CB-OG 3.49Å; S530-S535 WeakPolarHBondContact OG-CB 3.44Å; S530-S535 PolarHBondContact OG-OG 2.98Å; R532-S535 WeakPolarHBondContact O-CB 3.37Å; S535-E537 VanDerWaalsContact CB-O 3.32Å; S535-E537 WeakPolarHBondContact CB-O 3.3Å; S535-E537 PolarHBondContact OG-O 3.02Å; S535-W538 PolarHBondContact O-NE1 3.3Å
536	S	85.9	Confident	91.8	Very high	133 Å²	133	67 Å²	67	93%	0.93	34%	0.338	S	S	*	.	S	Bend	trans	-77.9	-24.3	167.8	50.9	0	0	0	0	112.6
537	E	88.4	Confident	91.7	Very high	123 Å²	123	65.2 Å²	65.2	58%	0.575	34%	0.342	S	S	*	.			trans	-119.2	140.4	-178	-171.9	171.8	-178.6	0	0	110.2	S535 H539	S535-E537 VanDerWaalsContact CB-O 3.32Å; S535-E537 WeakPolarHBondContact CB-O 3.3Å; S535-E537 PolarHBondContact OG-O 3.02Å; E537-H539 IonicContact OE1-CE1 2.68Å; E537-H539 PolarHBondContact OE1-CE1 3.13Å; E537-H539 IonicContact OE1-ND1 3.37Å
538	W	92.3	Very high	91.5	Very high	63 Å²	63	69.1 Å²	69.1	24%	0.239	36%	0.363	C	S	.	.			trans	-137.7	115.2	-179.3	-74.7	90.7	0	0	0	109	I498 L528 Y533 S535 K567	I498-W538 HydrophobicContact CD1-CH2 4Å; I498-W538 HydrophobicContact CD1-CZ2 3.94Å; I498-W538 HydrophobicContact CG1-CH2 4.32Å; I498-W538 HydrophobicContact CG2-CH2 4.07Å; L528-W538 HydrophobicContact CB-CB 4.11Å; L528-W538 HydrophobicContact CB-CE3 4.08Å; L528-W538 HydrophobicContact CD2-CB 3.86Å; Y533-W538 HydrophobicContact CD2-CH2 4.47Å; Y533-W538 HydrophobicContact CD2-CZ2 4.28Å; Y533-W538 HydrophobicContact CE2-CZ2 4.44Å; S535-W538 PolarHBondContact O-NE1 3.3Å; W538-K567 HydrophobicContact CE3-CB 3.92Å; W538-K567 HydrophobicContact CH2-CB 4.05Å; W538-K567 HydrophobicContact CZ3-CB 3.6Å
539	H	92.6	Very high	91.2	Very high	82 Å²	82	70 Å²	70	38%	0.38	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.3	179.5	-51.6	-59.3	0	0	0	109.9	L528 T529 E537 L541 L561	L528-H539 CarbonylContact C-O 3.58Å; L528-H539 VanDerWaalsContact CA-O 3.23Å; L528-H539 WeakPolarHBondContact CA-O 3.35Å; T529-H539 PolarHBondContact N-O 3.38Å; T529-H539 PolarHBondContact O-N 3.4Å; T529-H539 PolarHBondContact OG1-O 3.27Å; E537-H539 IonicContact OE1-CE1 2.68Å; E537-H539 PolarHBondContact OE1-CE1 3.13Å; E537-H539 IonicContact OE1-ND1 3.37Å; H539-L541 PolarHBondContact O-N 3.38Å; H539-L561 HydrophobicContact CB-CD1 3.82Å
540	L	93.3	Very high	90.9	Very high	99 Å²	99	73 Å²	73	52%	0.518	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	119	174.9	-179.6	67.2	0	0	0	109.8	R526 L528	R526-L540 HydrophobicContact CB-CD1 3.97Å; L528-L540 HydrophobicContact CG-CD1 4.22Å
541	L	91	Very high	90.6	Very high	24 Å²	24	77.6 Å²	77.6	13%	0.126	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-32	172.6	-73.8	-173.6	0	0	0	112.5	I507 L527 T529 H539 V557 S559	I507-L541 HydrophobicContact CB-CD1 4.34Å; I507-L541 HydrophobicContact CD1-CD1 4.03Å; L527-L541 HydrophobicContact CB-CB 4.45Å; L527-L541 HydrophobicContact CD2-CB 4.04Å; L527-L541 HydrophobicContact CD2-CD1 3.57Å; L527-L541 HydrophobicContact CD2-CG 4.41Å; L527-L541 HydrophobicContact CG-CB 4.25Å; L527-L541 HydrophobicContact CG-CD1 4.05Å; L527-L541 PolarHBondContact O-N 2.93Å; T529-L541 HydrophobicContact CG2-CD1 3.4Å; T529-L541 HydrophobicContact CG2-CD2 4.36Å; T529-L541 HydrophobicContact CG2-CG 3.74Å; H539-L541 PolarHBondContact O-N 3.38Å; L541-V557 HydrophobicContact CB-CG1 4.31Å; L541-V557 HydrophobicContact CD1-CG1 4.05Å; L541-V557 HydrophobicContact CD2-CG1 4.11Å; L541-V557 HydrophobicContact CG-CG1 4.41Å; L541-S559 VanDerWaalsContact CD2-CB 3.5Å
542	G	90.4	Very high	90.6	Very high	16 Å²	16	76 Å²	76	17%	0.165	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	166.1	-178.4	0	0	0	0	0	112.7	R526 L527	R526-G542 WeakPolarHBondContact CA-O 3.48Å; L527-G542 PolarHBondContact N-O 3.49Å
543	E	94.5	Very high	90.7	Very high	102 Å²	102	69 Å²	69	48%	0.477	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.4	173.3	-175.1	168.8	135.8	0	0	107	F525 R526 L571	F525-E543 WeakPolarHBondContact O-CA 3.24Å; R526-E543 HydrophobicContact CB-CB 4Å; R526-E543 HydrophobicContact CB-CG 3.97Å; E543-L571 VanDerWaalsContact CD-CD1 3.46Å; E543-L571 HydrophobicContact CG-CD1 4.05Å
544	W	94.6	Very high	90.9	Very high	55 Å²	55	71.9 Å²	71.9	21%	0.208	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147	-174.9	-60.3	-90.6	0	0	0	110.7	F525 L527 Y555 V557	F525-W544 WeakPolarHBondContact CD1-O 3.49Å; F525-W544 HydrophobicContact CD2-CE3 4.49Å; F525-W544 HydrophobicContact CE1-CB 3.83Å; F525-W544 AromaticContact CE2-CE3 3.67Å; F525-W544 HydrophobicContact CE2-CE3 3.67Å; F525-W544 HydrophobicContact CE2-CZ3 4.22Å; F525-W544 HydrophobicContact CZ-CB 3.94Å; F525-W544 HydrophobicContact CZ-CD2 4.31Å; F525-W544 AromaticContact CZ-CE3 3.78Å; F525-W544 HydrophobicContact CZ-CE3 3.78Å; F525-W544 HydrophobicContact CZ-CG 4.43Å; F525-W544 PolarHBondContact N-O 3.4Å; F525-W544 PolarHBondContact O-N 3.05Å; L527-W544 HydrophobicContact CB-CH2 4.38Å; L527-W544 HydrophobicContact CB-CZ3 3.72Å; L527-W544 HydrophobicContact CD2-CH2 4.23Å; L527-W544 HydrophobicContact CD2-CZ3 4.21Å; W544-Y555 HydrophobicContact CB-CD1 3.68Å; W544-Y555 HydrophobicContact CB-CE1 3.91Å; W544-Y555 AromaticContact CD1-CD1 3.88Å; W544-Y555 HydrophobicContact CD2-CD1 4.11Å; W544-Y555 HydrophobicContact CD2-CG 4.37Å; W544-Y555 AromaticContact CG-CD1 3.61Å; W544-Y555 HydrophobicContact CG-CD1 3.61Å; W544-Y555 HydrophobicContact CG-CE1 4.35Å; W544-Y555 HydrophobicContact CG-CG 4.33Å; W544-V557 HydrophobicContact CH2-CG2 4.02Å; W544-V557 HydrophobicContact CZ2-CG2 4.26Å
545	T	95.4	Very high	91.2	Very high	84 Å²	84	67.3 Å²	67.3	52%	0.515	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	112.6	163.2	-44.5	0	0	0	0	107.9	K523	K523-T545 HydrophobicContact CG-CG2 4.04Å; K523-T545 CarbonylContact O-C 3.55Å; K523-T545 WeakPolarHBondContact O-CA 3.16Å
546	A	92.8	Very high	91.4	Very high	4 Å²	4	71 Å²	71	3%	0.033	37%	0.365	C	S	.	.			trans	-65.5	156.8	166.4	0	0	0	0	0	110.4	K523 F525 Y555 Y574	K523-A546 PolarHBondContact O-N 3.39Å; F525-A546 HydrophobicContact CD1-CB 4.41Å; F525-A546 HydrophobicContact CE1-CB 4.29Å; A546-Y555 WeakPolarHBondContact CA-OH 3.32Å; A546-Y555 WeakPolarHBondContact CB-OH 3.15Å; A546-Y574 WeakPolarHBondContact O-CE2 3.5Å; A546-Y574 PolarHBondContact O-OH 3.47Å
547	A	91.8	Very high	91.5	Very high	51 Å²	51	65.1 Å²	65.1	42%	0.421	32%	0.324	S	S	.	.			trans	-83.3	154.3	165.3	0	0	0	0	0	110.5	S549 Q553	A547-S549 PolarHBondContact O-N 2.9Å; A547-Q553 PolarHBondContact O-NE2 2.89Å
548	D	91.6	Very high	91.2	Very high	82 Å²	82	64.2 Å²	64.2	44%	0.439	34%	0.338	S	S	.	.	S	Bend	trans	-76.8	71	166.5	-166.1	9.3	0	0	0	110.3	S521 R550 Y574	S521-D548 WeakPolarHBondContact CB-OD1 3.38Å; S521-D548 PolarHBondContact OG-OD1 2.89Å; D548-R550 IonicContact OD1-CZ 2.66Å; D548-R550 IonicContact OD1-NH1 3.52Å; D548-R550 PolarHBondContact OD1-NH1 3.49Å; D548-R550 IonicContact OD1-NH2 3.17Å; D548-R550 PolarHBondContact OD1-NH2 3.36Å; D548-Y574 HydrophobicContact CB-CD1 4.17Å; D548-Y574 HydrophobicContact CB-CD2 3.76Å; D548-Y574 HydrophobicContact CB-CE2 4.17Å; D548-Y574 HydrophobicContact CB-CG 3.75Å
549	S	88.9	Confident	90.5	Very high	37 Å²	37	62.7 Å²	62.7	26%	0.259	34%	0.337	S	S	.	.			trans	-126.3	141.8	-179.5	177.1	0	0	0	0	110.3	A547 Q551 Q553	A547-S549 PolarHBondContact O-N 2.9Å; S549-Q551 VanDerWaalsContact C-N 3.29Å; S549-Q551 PolarHBondContact OG-N 3.47Å; S549-Q553 PolarHBondContact O-NE2 3.17Å
550	R	88.5	Confident	89.9	Confident	65 Å²	65	67.1 Å²	67.1	25%	0.245	36%	0.355	C	S	.	.	S	Bend	trans	-89.4	10.6	173.9	-55.6	-61.2	177.3	-75.2	8.6	113.2	N514 F515 E516 L517 S519 S521 D548	N514-R550 WeakPolarHBondContact O-CA 3.43Å; N514-R550 WeakPolarHBondContact O-CD 3.43Å; F515-R550 WeakPolarHBondContact CD1-O 3.13Å; E516-R550 PolarHBondContact O-NE 3Å; L517-R550 HydrophobicContact CD2-CG 4.4Å; S519-R550 PolarHBondContact O-NH2 2.96Å; S521-R550 PolarHBondContact OG-NH1 3.24Å; S521-R550 PolarHBondContact OG-NH2 2.81Å; D548-R550 IonicContact OD1-CZ 2.66Å; D548-R550 IonicContact OD1-NH1 3.52Å; D548-R550 PolarHBondContact OD1-NH1 3.49Å; D548-R550 IonicContact OD1-NH2 3.17Å; D548-R550 PolarHBondContact OD1-NH2 3.36Å
551	Q	88.3	Confident	89.6	Confident	109 Å²	109	66.2 Å²	66.2	51%	0.509	35%	0.35	S	S	.	.	S	Bend	trans	-92.1	166.8	171.2	-65.6	177.5	-14.4	0	0	111.3	D407 S549 Q553	D407-Q551 PolarHBondContact OD2-NE2 3.42Å; S549-Q551 VanDerWaalsContact C-N 3.29Å; S549-Q551 PolarHBondContact OG-N 3.47Å; Q551-Q553 PolarHBondContact O-N 2.94Å
552	I	91	Very high	89.6	Confident	68 Å²	68	67.2 Å²	67.2	35%	0.349	35%	0.353	S	S	.	.			trans	-73.7	122.8	176.9	-55.7	176.7	0	0	0	109.9	E511 A513 F515 L584	E511-I552 HydrophobicContact CB-CG2 3.91Å; A513-I552 HydrophobicContact CB-CB 4.39Å; A513-I552 HydrophobicContact CB-CG1 4Å; F515-I552 HydrophobicContact CE1-CG1 4.07Å; F515-I552 HydrophobicContact CZ-CD1 4.37Å; F515-I552 HydrophobicContact CZ-CG1 3.97Å; I552-L584 HydrophobicContact CD1-CD2 3.86Å; I552-L584 HydrophobicContact CG1-CD2 4.24Å
553	Q	91.6	Very high	89.6	Confident	34 Å²	34	66.5 Å²	66.5	16%	0.159	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.8	-176.6	-54.2	-174.8	44.3	0	0	110.4	E511 M512 A547 S549 Q551 Y555	E511-Q553 CarbonylContact C-O 3.54Å; E511-Q553 VanDerWaalsContact CA-O 3.22Å; E511-Q553 WeakPolarHBondContact CA-O 3.22Å; M512-Q553 PolarHBondContact N-O 3Å; M512-Q553 PolarHBondContact O-N 3.12Å; A547-Q553 PolarHBondContact O-NE2 2.89Å; S549-Q553 PolarHBondContact O-NE2 3.17Å; Q551-Q553 PolarHBondContact O-N 2.94Å; Q553-Y555 HydrophobicContact CB-CE2 3.8Å; Q553-Y555 WeakPolarHBondContact CB-OH 3.49Å; Q553-Y555 WeakPolarHBondContact O-CE2 3.43Å; Q553-Y555 PolarHBondContact OE1-OH 3.4Å; Q553-Y555 VanDerWaalsContact OE1-OH 3.1Å
554	R	92.7	Very high	89.6	Confident	132 Å²	132	66.2 Å²	66.2	50%	0.498	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.7	-170.2	-46.5	-174.8	80.3	-137.1	-0.5	111.1	E511	E511-R554 HydrophobicContact CG-CG 4.32Å; E511-R554 IonicContact OE1-CZ 3.45Å; E511-R554 IonicContact OE1-NE 3.26Å; E511-R554 PolarHBondContact OE1-NE 3.14Å; E511-R554 IonicContact OE1-NH2 2.71Å; E511-R554 PolarHBondContact OE1-NH2 3.45Å
555	Y	93.6	Very high	89.7	Confident	19 Å²	19	64.9 Å²	64.9	8%	0.075	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.4	-175.2	-53.3	-84.4	0	0	0	109.6	C509 V510 M512 F525 W544 A546 Q553	C509-Y555 CarbonylContact C-O 3.56Å; C509-Y555 VanDerWaalsContact CA-O 3.28Å; C509-Y555 WeakPolarHBondContact CA-O 3.27Å; C509-Y555 PolarHBondContact SG-O 3.09Å; C509-Y555 VanDerWaalsContact SG-O 3.39Å; V510-Y555 PolarHBondContact N-O 3.36Å; V510-Y555 WeakPolarHBondContact O-CD2 3.46Å; V510-Y555 PolarHBondContact O-N 3.34Å; M512-Y555 HydrophobicContact CB-CE2 4.17Å; F525-Y555 HydrophobicContact CE1-CD1 4.13Å; F525-Y555 HydrophobicContact CE1-CD2 4.41Å; F525-Y555 AromaticContact CE1-CE1 3.64Å; F525-Y555 HydrophobicContact CE1-CE1 3.64Å; F525-Y555 AromaticContact CE1-CE2 3.97Å; F525-Y555 HydrophobicContact CE1-CE2 3.97Å; F525-Y555 HydrophobicContact CE1-CG 4.48Å; F525-Y555 AromaticContact CE1-CZ 3.54Å; F525-Y555 AromaticContact CZ-CD1 3.79Å; F525-Y555 HydrophobicContact CZ-CD1 3.79Å; F525-Y555 AromaticContact CZ-CD2 3.7Å; F525-Y555 HydrophobicContact CZ-CD2 3.7Å; F525-Y555 AromaticContact CZ-CE1 3.75Å; F525-Y555 HydrophobicContact CZ-CE1 3.75Å; F525-Y555 AromaticContact CZ-CE2 3.68Å; F525-Y555 HydrophobicContact CZ-CE2 3.68Å; F525-Y555 AromaticContact CZ-CG 3.76Å; F525-Y555 HydrophobicContact CZ-CG 3.76Å; F525-Y555 AromaticContact CZ-CZ 3.69Å; W544-Y555 HydrophobicContact CB-CD1 3.68Å; W544-Y555 HydrophobicContact CB-CE1 3.91Å; W544-Y555 AromaticContact CD1-CD1 3.88Å; W544-Y555 HydrophobicContact CD2-CD1 4.11Å; W544-Y555 HydrophobicContact CD2-CG 4.37Å; W544-Y555 AromaticContact CG-CD1 3.61Å; W544-Y555 HydrophobicContact CG-CD1 3.61Å; W544-Y555 HydrophobicContact CG-CE1 4.35Å; W544-Y555 HydrophobicContact CG-CG 4.33Å; A546-Y555 WeakPolarHBondContact CA-OH 3.32Å; A546-Y555 WeakPolarHBondContact CB-OH 3.15Å; Q553-Y555 HydrophobicContact CB-CE2 3.8Å; Q553-Y555 WeakPolarHBondContact CB-OH 3.49Å; Q553-Y555 WeakPolarHBondContact O-CE2 3.43Å; Q553-Y555 PolarHBondContact OE1-OH 3.4Å; Q553-Y555 VanDerWaalsContact OE1-OH 3.1Å
556	I	90.7	Very high	89.7	Confident	108 Å²	108	60.9 Å²	60.9	55%	0.554	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.3	-177.1	-59.3	175.4	0	0	0	109.5
557	V	88.1	Confident	89.9	Confident	10 Å²	10	62.4 Å²	62.4	6%	0.061	32%	0.316	C	S	.	.			trans	-105.6	121.5	179.3	176.5	0	0	0	0	108.8	I507 S508 V510 L527 L541 W544	I507-V557 HydrophobicContact CG2-CB 4.33Å; I507-V557 HydrophobicContact CG2-CG2 4.02Å; I507-V557 WeakPolarHBondContact O-CB 3.45Å; I507-V557 VanDerWaalsContact O-CG1 3.32Å; I507-V557 WeakPolarHBondContact O-CG1 3.19Å; S508-V557 PolarHBondContact O-N 3.21Å; V510-V557 HydrophobicContact CG2-CG2 4.48Å; L527-V557 HydrophobicContact CD2-CG2 4.38Å; L541-V557 HydrophobicContact CB-CG1 4.31Å; L541-V557 HydrophobicContact CD1-CG1 4.05Å; L541-V557 HydrophobicContact CD2-CG1 4.11Å; L541-V557 HydrophobicContact CG-CG1 4.41Å; W544-V557 HydrophobicContact CH2-CG2 4.02Å; W544-V557 HydrophobicContact CZ2-CG2 4.26Å
558	A	81	Confident	90.1	Very high	105 Å²	105	60 Å²	60	87%	0.868	30%	0.296	S	S	*	.			trans	-89.2	0.8	-178.8	0	0	0	0	0	114
559	S	78.5	Confident	90.2	Very high	31 Å²	31	56.8 Å²	56.8	22%	0.217	28%	0.278	C	S	.	.			trans	-76.9	152	-175.8	-169.2	0	0	0	0	112.9	Q506 L541 L561	Q506-S559 PolarHBondContact NE2-O 2.97Å; L541-S559 VanDerWaalsContact CD2-CB 3.5Å; S559-L561 WeakPolarHBondContact OG-CG 3.33Å; S559-L561 PolarHBondContact OG-N 3.08Å; S559-L561 VanDerWaalsContact OG-N 3.14Å
560	K	80.1	Confident	90.5	Very high	175 Å²	175	55.4 Å²	55.4	76%	0.761	27%	0.268	S	S	*	.			trans	-105.5	9.9	168	-64	-166.4	175.3	-168.7	0	113.4
561	L	86.7	Confident	90.7	Very high	79 Å²	79	56 Å²	56	41%	0.414	28%	0.275	S	S	.	.			trans	-71.1	132.5	177.2	-64.8	176.1	0	0	0	110.7	H539 S559	H539-L561 HydrophobicContact CB-CD1 3.82Å; S559-L561 WeakPolarHBondContact OG-CG 3.33Å; S559-L561 PolarHBondContact OG-N 3.08Å; S559-L561 VanDerWaalsContact OG-N 3.14Å
562	Y	90.4	Very high	90.9	Very high	46 Å²	46	52 Å²	52	18%	0.18	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	138.8	166.4	-86.7	-74.8	0	0	0	110.2	T504 V505 Q506 M592 E595	T504-Y562 HydrophobicContact CG2-CD1 4.1Å; T504-Y562 HydrophobicContact CG2-CG 4.43Å; V505-Y562 VanDerWaalsContact C-CD1 3.48Å; Q506-Y562 HydrophobicContact CB-CD1 4.11Å; Q506-Y562 HydrophobicContact CB-CE1 3.78Å; Q506-Y562 HydrophobicContact CB-CE2 4.45Å; Y562-M592 HydrophobicContact CD1-CB 4.08Å; Y562-M592 HydrophobicContact CE1-CB 3.67Å; Y562-M592 HydrophobicContact CE1-CG 4.23Å; Y562-E595 WeakPolarHBondContact OH-CB 3.27Å; Y562-E595 PolarHBondContact OH-OE2 2.84Å
563	A	91.7	Very high	90.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.2	-179	0	0	0	0	0	111.4	T504 V505 I507 T529	T504-A563 WeakPolarHBondContact CA-O 3.44Å; V505-A563 PolarHBondContact N-O 2.88Å; V505-A563 PolarHBondContact O-N 3.26Å; I507-A563 HydrophobicContact CD1-CB 4.13Å; T529-A563 HydrophobicContact CG2-CB 3.42Å; T529-A563 VanDerWaalsContact CG2-CB 3.42Å
564	R	94.3	Very high	91	Very high	96 Å²	96	53 Å²	53	36%	0.362	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-26.8	169.8	178.6	175.1	173.8	146.4	0.7	111.8	E500 L501 S530	E500-R564 HydrophobicContact CG-CG 4.28Å; E500-R564 IonicContact OE1-CZ 2.71Å; E500-R564 IonicContact OE1-NE 2.87Å; E500-R564 PolarHBondContact OE1-NE 2.91Å; E500-R564 VanDerWaalsContact OE1-NE 3.15Å; E500-R564 IonicContact OE1-NH2 2.65Å; E500-R564 PolarHBondContact OE1-NH2 3.41Å; L501-R564 PolarHBondContact N-O 3.48Å; S530-R564 PolarHBondContact O-N 3.43Å; S530-R564 VanDerWaalsContact O-N 3.08Å
565	Y	96.6	Very high	90.8	Very high	27 Å²	27	49.3 Å²	49.3	11%	0.106	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.1	177.5	-56.7	-89.2	0	0	0	109.1	V463 I499 E500 T529 S530 E531 Y533	V463-Y565 HydrophobicContact CG2-CD1 4.19Å; V463-Y565 HydrophobicContact CG2-CE1 4.19Å; I499-Y565 WeakPolarHBondContact O-CA 3.44Å; E500-Y565 HydrophobicContact CB-CD1 3.79Å; E500-Y565 HydrophobicContact CB-CE1 3.61Å; E500-Y565 HydrophobicContact CG-CD1 4.01Å; E500-Y565 HydrophobicContact CG-CE1 3.47Å; E500-Y565 VanDerWaalsContact CG-CE1 3.47Å; T529-Y565 WeakPolarHBondContact CA-O 3.49Å; S530-Y565 PolarHBondContact N-O 3.35Å; S530-Y565 PolarHBondContact O-N 3.01Å; E531-Y565 WeakPolarHBondContact O-CE2 3.34Å; Y533-Y565 VanDerWaalsContact CB-CE1 3.45Å; Y533-Y565 HydrophobicContact CD2-CD1 4.5Å; Y533-Y565 HydrophobicContact CG-CD1 4.21Å; Y533-Y565 HydrophobicContact CG-CE1 4.18Å
566	I	95.7	Very high	90.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.1	167.8	60.5	157	0	0	0	109.4	I498 I499 L501 I507 L527 L528 T529 V568 V585 V587	I498-I566 CarbonylContact C-O 3.57Å; I498-I566 VanDerWaalsContact CA-O 3.23Å; I498-I566 WeakPolarHBondContact CA-O 3.44Å; I499-I566 HydrophobicContact CB-CD1 4.31Å; I499-I566 HydrophobicContact CB-CG1 3.8Å; I499-I566 HydrophobicContact CD1-CD1 3.98Å; I499-I566 HydrophobicContact CD1-CG1 4.39Å; I499-I566 PolarHBondContact N-O 3.42Å; I499-I566 PolarHBondContact O-N 3.46Å; L501-I566 HydrophobicContact CD1-CG2 4.39Å; L501-I566 HydrophobicContact CD2-CG1 4.45Å; I507-I566 HydrophobicContact CD1-CG2 3.42Å; I507-I566 VanDerWaalsContact CD1-CG2 3.42Å; L527-I566 HydrophobicContact CD1-CB 3.99Å; L527-I566 HydrophobicContact CD1-CD1 4.1Å; L527-I566 HydrophobicContact CD1-CG2 4.35Å; L528-I566 CarbonylContact O-C 3.59Å; L528-I566 WeakPolarHBondContact O-CA 3.1Å; T529-I566 HydrophobicContact CG2-CG2 3.88Å; I566-V568 HydrophobicContact CD1-CG2 4.27Å; I566-V585 HydrophobicContact CD1-CG1 4.48Å; I566-V587 HydrophobicContact CD1-CG2 3.61Å
567	K	95.5	Very high	90.6	Very high	35 Å²	35	53.8 Å²	53.8	15%	0.152	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.2	167.2	-174.1	179.2	-169.2	-158.2	0	108.4	F497 I498 L527 L528 W538 E569	F497-K567 WeakPolarHBondContact O-CA 3.41Å; I498-K567 HydrophobicContact CD1-CD 4.28Å; I498-K567 HydrophobicContact CD1-CG 4.38Å; I498-K567 HydrophobicContact CG1-CB 3.95Å; I498-K567 HydrophobicContact CG1-CD 4.19Å; I498-K567 HydrophobicContact CG1-CG 3.74Å; L527-K567 WeakPolarHBondContact CA-O 3.41Å; L528-K567 HydrophobicContact CB-CB 4.39Å; L528-K567 PolarHBondContact N-O 3.46Å; L528-K567 PolarHBondContact O-N 3.48Å; W538-K567 HydrophobicContact CE3-CB 3.92Å; W538-K567 HydrophobicContact CH2-CB 4.05Å; W538-K567 HydrophobicContact CZ3-CB 3.6Å; K567-E569 HydrophobicContact CD-CG 4.25Å; K567-E569 WeakPolarHBondContact CD-OE1 3.49Å; K567-E569 WeakPolarHBondContact CE-OE1 3.39Å; K567-E569 HydrophobicContact CG-CG 4.13Å; K567-E569 IonicContact NZ-OE1 3.92Å; K567-E569 PolarHBondContact NZ-OE1 3.21Å
568	V	95.6	Very high	90.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.1	170.9	-177.7	0	0	0	0	107.7	W496 F497 M512 F525 L527 I566 L570	W496-V568 CarbonylContact C-O 3.59Å; W496-V568 WeakPolarHBondContact CA-O 3.36Å; W496-V568 VanDerWaalsContact CB-O 3.3Å; W496-V568 WeakPolarHBondContact CB-O 3.3Å; F497-V568 HydrophobicContact CD1-CB 4.43Å; F497-V568 HydrophobicContact CD2-CB 4.16Å; F497-V568 HydrophobicContact CD2-CG2 4.34Å; F497-V568 HydrophobicContact CE1-CB 3.87Å; F497-V568 HydrophobicContact CE1-CG1 3.97Å; F497-V568 HydrophobicContact CE2-CB 3.57Å; F497-V568 HydrophobicContact CE2-CG1 4.31Å; F497-V568 HydrophobicContact CE2-CG2 3.53Å; F497-V568 HydrophobicContact CZ-CB 3.41Å; F497-V568 VanDerWaalsContact CZ-CB 3.41Å; F497-V568 HydrophobicContact CZ-CG1 3.66Å; F497-V568 HydrophobicContact CZ-CG2 3.71Å; F497-V568 PolarHBondContact N-O 3.07Å; F497-V568 PolarHBondContact O-N 3.41Å; M512-V568 HydrophobicContact CE-CG1 4.13Å; M512-V568 HydrophobicContact SD-CG1 4.28Å; F525-V568 HydrophobicContact CD2-CG1 4.26Å; L527-V568 HydrophobicContact CD1-CG2 3.83Å; I566-V568 HydrophobicContact CD1-CG2 4.27Å; V568-L570 HydrophobicContact CG1-CD2 4.06Å
569	E	95	Very high	91.2	Very high	15 Å²	15	57.8 Å²	57.8	7%	0.07	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125	174.1	-49.7	-169.9	166.4	0	0	109.5	K495 W496 F525 R526 L528 K567 L571	K495-E569 CarbonylContact O-C 3.55Å; K495-E569 WeakPolarHBondContact O-CA 3.28Å; W496-E569 HydrophobicContact CB-CB 4.25Å; W496-E569 HydrophobicContact CB-CG 3.85Å; F525-E569 CarbonylContact C-O 3.56Å; F525-E569 VanDerWaalsContact CA-O 3.23Å; F525-E569 WeakPolarHBondContact CA-O 3.37Å; F525-E569 WeakPolarHBondContact CB-O 3.48Å; R526-E569 HydrophobicContact CG-CB 3.95Å; R526-E569 HydrophobicContact CG-CG 4.44Å; R526-E569 IonicContact CZ-OE2 3.73Å; R526-E569 PolarHBondContact N-O 2.82Å; R526-E569 IonicContact NE-OE2 2.69Å; R526-E569 PolarHBondContact NE-OE2 3.45Å; R526-E569 IonicContact NH2-OE2 3.34Å; R526-E569 PolarHBondContact NH2-OE2 3.13Å; R526-E569 PolarHBondContact O-N 3.38Å; L528-E569 HydrophobicContact CD1-CG 3.96Å; K567-E569 HydrophobicContact CD-CG 4.25Å; K567-E569 WeakPolarHBondContact CD-OE1 3.49Å; K567-E569 WeakPolarHBondContact CE-OE1 3.39Å; K567-E569 HydrophobicContact CG-CG 4.13Å; K567-E569 IonicContact NZ-OE1 3.92Å; K567-E569 PolarHBondContact NZ-OE1 3.21Å; E569-L571 HydrophobicContact CB-CD2 4.43Å
570	L	93.9	Very high	91.9	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	103.4	179.4	-53.8	-177.8	0	0	0	108.5	K495 M512 P522 F525 V568	K495-L570 HydrophobicContact CB-CB 4.02Å; K495-L570 PolarHBondContact O-N 3.18Å; M512-L570 HydrophobicContact CE-CD2 4.06Å; P522-L570 HydrophobicContact CB-CD2 4.08Å; F525-L570 HydrophobicContact CB-CD2 3.81Å; V568-L570 HydrophobicContact CG1-CD2 4.06Å
571	L	92.9	Very high	92.5	Very high	76 Å²	76	48.2 Å²	48.2	40%	0.398	25%	0.25	S	C	.	.			trans	-81.2	-40.3	-171	-55.8	175.8	0	0	0	111.5	E524 R526 E543 E569	E524-L571 HydrophobicContact CB-CB 3.95Å; E524-L571 HydrophobicContact CB-CD1 4.29Å; E524-L571 WeakPolarHBondContact O-CB 3.26Å; E524-L571 PolarHBondContact O-N 2.69Å; R526-L571 HydrophobicContact CB-CD1 4.27Å; R526-L571 HydrophobicContact CG-CD1 4.08Å; R526-L571 HydrophobicContact CG-CD2 4.15Å; R526-L571 HydrophobicContact CG-CG 4.28Å; E543-L571 VanDerWaalsContact CD-CD1 3.46Å; E543-L571 HydrophobicContact CG-CD1 4.05Å; E569-L571 HydrophobicContact CB-CD2 4.43Å
572	S	92.6	Very high	92.8	Very high	25 Å²	25	44.5 Å²	44.5	18%	0.175	23%	0.23	C	C	.	.			trans	-146.4	173.9	178.9	74.7	0	0	0	0	112	K523 E524	K523-S572 WeakPolarHBondContact CB-OG 3.48Å; K523-S572 WeakPolarHBondContact CG-OG 3.05Å; K523-S572 PolarHBondContact N-O 3.38Å; E524-S572 WeakPolarHBondContact CB-OG 3.47Å; E524-S572 PolarHBondContact N-OG 2.74Å; E524-S572 PolarHBondContact O-N 2.89Å; E524-S572 VanDerWaalsContact O-N 3.15Å; E524-S572 WeakPolarHBondContact OE2-CB 3.12Å; E524-S572 PolarHBondContact OE2-OG 2.93Å
573	H	92.8	Very high	92.9	Very high	55 Å²	55	42.5 Å²	42.5	26%	0.255	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-141.4	162.4	-178	59.3	-84.3	0	0	0	112.6	S521 C580	S521-H573 CarbonylContact O-C 3.59Å; S521-H573 WeakPolarHBondContact O-CA 3.42Å; S521-H573 VanDerWaalsContact O-CB 3.3Å; S521-H573 WeakPolarHBondContact O-CB 3.48Å; H573-C580 WeakPolarHBondContact CB-SG 3.25Å
574	Y	92.1	Very high	93	Very high	68 Å²	68	42.7 Å²	42.7	27%	0.267	22%	0.224	S	C	.	.	S	Bend	trans	-97.1	158.9	164.6	-67.1	-78.3	0	0	0	110	S520 S521 K523 A546 D548	S520-Y574 CarbonylContact C-O 3.46Å; S520-Y574 WeakPolarHBondContact CA-O 3.44Å; S520-Y574 WeakPolarHBondContact CB-O 3.47Å; S520-Y574 PolarHBondContact OG-O 2.86Å; S521-Y574 PolarHBondContact N-O 2.92Å; S521-Y574 PolarHBondContact O-N 3.38Å; K523-Y574 HydrophobicContact CB-CD2 3.6Å; K523-Y574 HydrophobicContact CB-CE2 3.52Å; K523-Y574 HydrophobicContact CB-CG 4.2Å; K523-Y574 HydrophobicContact CD-CD1 4.16Å; K523-Y574 HydrophobicContact CD-CE1 3.84Å; K523-Y574 HydrophobicContact CD-CE2 4.21Å; K523-Y574 HydrophobicContact CD-CG 4.48Å; K523-Y574 HydrophobicContact CG-CD2 4.15Å; K523-Y574 HydrophobicContact CG-CE1 4.16Å; K523-Y574 HydrophobicContact CG-CE2 3.64Å; A546-Y574 WeakPolarHBondContact O-CE2 3.5Å; A546-Y574 PolarHBondContact O-OH 3.47Å; D548-Y574 HydrophobicContact CB-CD1 4.17Å; D548-Y574 HydrophobicContact CB-CD2 3.76Å; D548-Y574 HydrophobicContact CB-CE2 4.17Å; D548-Y574 HydrophobicContact CB-CG 3.75Å
575	G	88.5	Confident	93	Very high	56 Å²	56	38.1 Å²	38.1	58%	0.577	21%	0.207	S	C	*	.	S	Bend	trans	82	-173.8	-178.2	0	0	0	0	0	113.2
576	S	89.1	Confident	92.9	Very high	115 Å²	115	39.5 Å²	39.5	80%	0.804	21%	0.212	S	C	*	.			trans	-145	29.2	176.8	72.4	0	0	0	0	111
577	E	90.8	Very high	92.8	Very high	105 Å²	105	39.5 Å²	39.5	49%	0.491	21%	0.212	S	C	.	.			trans	-84.5	145.4	172.4	-62.4	-64.1	166.6	0	0	108.8	C489 S520 F579	C489-E577 PolarHBondContact SG-O 3.45Å; S520-E577 PolarHBondContact OG-N 3.46Å; S520-E577 PolarHBondContact OG-O 2.88Å; E577-F579 PolarHBondContact O-N 3.3Å; E577-F579 VanDerWaalsContact O-N 3.08Å
578	H	90.4	Very high	92.7	Very high	124 Å²	124	38.4 Å²	38.4	57%	0.574	21%	0.207	S	C	*	.	S	Bend	trans	-58.2	-27.8	-172	178.7	-87.8	0	0	0	114.2	P488 C489	P488-H578 CarbonylContact C-O 3.56Å; P488-H578 WeakPolarHBondContact CA-O 3.32Å; C489-H578 PolarHBondContact N-O 3.15Å
579	F	91.7	Very high	92.4	Very high	76 Å²	76	38.4 Å²	38.4	33%	0.333	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-111.5	138.1	-177	-65.9	-74.7	0	0	0	112.4	L486 N487 P488 S520 E577 P581	L486-F579 HydrophobicContact CD2-CB 3.7Å; L486-F579 HydrophobicContact CD2-CD1 3.88Å; L486-F579 HydrophobicContact CD2-CD2 4.37Å; L486-F579 HydrophobicContact CD2-CG 3.73Å; N487-F579 WeakPolarHBondContact O-CA 3.3Å; P488-F579 HydrophobicContact CG-CE1 4.31Å; S520-F579 PolarHBondContact N-O 2.85Å; S520-F579 VanDerWaalsContact N-O 3.15Å; E577-F579 PolarHBondContact O-N 3.3Å; E577-F579 VanDerWaalsContact O-N 3.08Å; F579-P581 WeakPolarHBondContact O-CD 3.35Å
580	C	92.9	Very high	91.9	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.027	22%	0.219	C	C	.	.			trans	-111.8	73.4	176.6	-80.3	0	0	0	0	108.8	N487 C489 S520 H573	N487-C580 PolarHBondContact O-N 3.28Å; C489-C580 WeakPolarHBondContact CA-SG 3.46Å; C489-C580 HydrophobicContact CB-CB 4.19Å; C489-C580 WeakPolarHBondContact CB-SG 3.33Å; C489-C580 WeakPolarHBondContact SG-CA 3.48Å; C489-C580 WeakPolarHBondContact SG-CB 3.2Å; C489-C580 PolarHBondContact SG-N 2.8Å; C489-C580 CovalentContact SG-SG 2.04Å; C489-C580 PolarHBondContact SG-SG 3.05Å; S520-C580 WeakPolarHBondContact O-CA 3.43Å; H573-C580 WeakPolarHBondContact CB-SG 3.25Å
581	P	93.2	Very high	91.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.217	C	C	.	.			trans	-75	162.9	-178	33.3	-35.8	0	0	0	112.2	Y484 M485 L486 E516 S519 F579	Y484-P581 HydrophobicContact CD2-CB 3.68Å; Y484-P581 HydrophobicContact CE2-CB 4.18Å; Y484-P581 HydrophobicContact CG-CB 4.41Å; M485-P581 WeakPolarHBondContact O-CA 3.27Å; M485-P581 VanDerWaalsContact O-CB 3.29Å; M485-P581 WeakPolarHBondContact O-CB 3.31Å; L486-P581 HydrophobicContact CD2-CB 4.35Å; E516-P581 HydrophobicContact CB-CG 4.02Å; E516-P581 HydrophobicContact CG-CG 4.38Å; S519-P581 VanDerWaalsContact CB-CD 3.41Å; S519-P581 VanDerWaalsContact OG-CG 3.27Å; S519-P581 WeakPolarHBondContact OG-CG 3.38Å; F579-P581 WeakPolarHBondContact O-CD 3.35Å
582	L	94	Very high	90.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-141.6	127.4	171.2	-174.9	71.4	0	0	0	107.3	L475 Y484 M485 F497 M512 A513 P522 V585	L475-L582 HydrophobicContact CD2-CB 3.77Å; L475-L582 HydrophobicContact CD2-CD2 3.74Å; L475-L582 HydrophobicContact CD2-CG 3.69Å; L475-L582 WeakPolarHBondContact CD2-O 3.38Å; Y484-L582 WeakPolarHBondContact CB-O 3.25Å; M485-L582 HydrophobicContact CE-CB 4.2Å; M485-L582 PolarHBondContact N-O 3.45Å; M485-L582 PolarHBondContact O-N 2.72Å; F497-L582 HydrophobicContact CE1-CD2 3.66Å; F497-L582 HydrophobicContact CZ-CD2 3.51Å; M512-L582 HydrophobicContact CB-CD1 4.37Å; M512-L582 HydrophobicContact CE-CD1 3.99Å; M512-L582 HydrophobicContact CE-CD2 3.96Å; A513-L582 WeakPolarHBondContact O-CD1 3.19Å; P522-L582 HydrophobicContact CG-CD1 4.4Å; L582-V585 HydrophobicContact CD2-CG2 3.67Å; L582-V585 HydrophobicContact CG-CG2 4.44Å
583	S	92.7	Very high	90.1	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.028	23%	0.229	C	C	.	.			trans	-91.3	-38.2	-173.9	-51.8	0	0	0	0	112	A513 F515	A513-S583 PolarHBondContact O-N 2.77Å; F515-S583 PolarHBondContact N-OG 2.88Å
584	L	92.5	Very high	89.4	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.9	-168.4	-177.6	67.8	0	0	0	112	M512 A513 F515 I552 R586	M512-L584 WeakPolarHBondContact CA-O 3.21Å; A513-L584 HydrophobicContact CB-CB 4.14Å; A513-L584 PolarHBondContact N-O 2.81Å; A513-L584 VanDerWaalsContact N-O 3.16Å; A513-L584 PolarHBondContact O-N 3.36Å; F515-L584 HydrophobicContact CE2-CB 4.39Å; F515-L584 HydrophobicContact CZ-CD2 4.39Å; I552-L584 HydrophobicContact CD1-CD2 3.86Å; I552-L584 HydrophobicContact CG1-CD2 4.24Å; L584-R586 HydrophobicContact CD1-CG 4.1Å; L584-R586 HydrophobicContact CD2-CG 4.25Å; L584-R586 HydrophobicContact CG-CG 4.1Å
585	V	94.6	Very high	88.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.8	164.8	-177.8	0	0	0	0	109.2	L475 F497 I499 V510 E511 M512 I566 L582	L475-V585 HydrophobicContact CB-CB 4.47Å; L475-V585 HydrophobicContact CB-CG2 4.14Å; L475-V585 HydrophobicContact CD1-CG2 4.25Å; L475-V585 HydrophobicContact CD2-CG2 4.19Å; L475-V585 HydrophobicContact CG-CG2 4.43Å; L475-V585 PolarHBondContact O-N 3.32Å; F497-V585 HydrophobicContact CE2-CG2 3.9Å; F497-V585 HydrophobicContact CZ-CG2 3.78Å; I499-V585 HydrophobicContact CD1-CB 4.23Å; I499-V585 HydrophobicContact CD1-CG1 3.95Å; V510-V585 HydrophobicContact CG1-CG1 4.48Å; E511-V585 CarbonylContact O-C 3.57Å; E511-V585 WeakPolarHBondContact O-CA 3.23Å; M512-V585 HydrophobicContact CG-CG2 4.29Å; I566-V585 HydrophobicContact CD1-CG1 4.48Å; L582-V585 HydrophobicContact CD2-CG2 3.67Å; L582-V585 HydrophobicContact CG-CG2 4.44Å
586	R	94.2	Very high	88	Confident	56 Å²	56	46.8 Å²	46.8	21%	0.211	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.5	171.1	-54.7	-174.4	165.6	141.1	3.6	111	N452 D478 V510 E511 L584	N452-R586 HydrophobicContact CB-CB 4.46Å; N452-R586 VanDerWaalsContact OD1-CA 3.32Å; N452-R586 WeakPolarHBondContact OD1-CA 3.33Å; D478-R586 PolarHBondContact O-NH2 3.4Å; D478-R586 IonicContact OD1-CZ 2.74Å; D478-R586 IonicContact OD1-NE 3.44Å; D478-R586 PolarHBondContact OD1-NE 3.4Å; D478-R586 IonicContact OD1-NH2 2.66Å; V510-R586 CarbonylContact C-O 3.58Å; V510-R586 VanDerWaalsContact CA-O 3.31Å; V510-R586 WeakPolarHBondContact CA-O 3.29Å; V510-R586 WeakPolarHBondContact CG1-O 3.35Å; E511-R586 HydrophobicContact CB-CB 4.03Å; E511-R586 HydrophobicContact CG-CB 4.29Å; E511-R586 PolarHBondContact N-O 3.38Å; E511-R586 PolarHBondContact O-N 3.17Å; E511-R586 WeakPolarHBondContact OE2-CD 3.26Å; E511-R586 IonicContact OE2-NH1 2.9Å; L584-R586 HydrophobicContact CD1-CG 4.1Å; L584-R586 HydrophobicContact CD2-CG 4.25Å; L584-R586 HydrophobicContact CG-CG 4.1Å
587	V	94.2	Very high	87.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.1	177.5	178	0	0	0	0	108.2	N452 Y453 A454 L501 I507 V510 I566	N452-V587 WeakPolarHBondContact CA-O 3.34Å; N452-V587 PolarHBondContact OD1-N 2.9Å; Y453-V587 PolarHBondContact N-O 2.88Å; A454-V587 HydrophobicContact CB-CB 3.97Å; A454-V587 HydrophobicContact CB-CG2 3.72Å; L501-V587 HydrophobicContact CD1-CG1 4.05Å; L501-V587 HydrophobicContact CD2-CB 4Å; L501-V587 HydrophobicContact CD2-CG1 4.06Å; L501-V587 HydrophobicContact CD2-CG2 3.99Å; I507-V587 HydrophobicContact CB-CG1 4.46Å; I507-V587 HydrophobicContact CD1-CG1 3.8Å; I507-V587 HydrophobicContact CG1-CG1 3.76Å; I507-V587 HydrophobicContact CG2-CG1 3.98Å; V510-V587 HydrophobicContact CG2-CG2 4.25Å; I566-V587 HydrophobicContact CD1-CG2 3.61Å
588	L	92.9	Very high	86.2	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.3	-177.7	-54.8	-179.7	0	0	0	109.8	I448 R451 N452 S508 C509 E511	I448-L588 HydrophobicContact CG2-CB 4.26Å; I448-L588 HydrophobicContact CG2-CD1 4.12Å; R451-L588 WeakPolarHBondContact O-CD2 3.47Å; N452-L588 HydrophobicContact CB-CD2 4.42Å; S508-L588 PolarHBondContact N-O 3.12Å; S508-L588 PolarHBondContact OG-O 2.89Å; C509-L588 HydrophobicContact CB-CB 4.27Å; C509-L588 PolarHBondContact N-O 3.25Å; C509-L588 PolarHBondContact O-N 3.44Å; E511-L588 HydrophobicContact CG-CD1 4.31Å; E511-L588 WeakPolarHBondContact OE1-CD1 3.25Å
589	G	88.8	Confident	85.1	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	-177.6	-175.2	0	0	0	0	0	111.2	A449 Y453 Q506	A449-G589 WeakPolarHBondContact CB-O 3.43Å; Y453-G589 WeakPolarHBondContact CE2-O 3.25Å; Y453-G589 PolarHBondContact OH-O 2.9Å; Q506-G589 WeakPolarHBondContact O-CA 3.47Å
590	I	84.6	Confident	84	Confident	58 Å²	58	40.7 Å²	40.7	30%	0.297	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.5	171.4	56.8	178.7	0	0	0	109.3	A449 V505 Q506 E595	A449-I590 HydrophobicContact CB-CG2 3.99Å; V505-I590 CarbonylContact C-O 3.56Å; V505-I590 WeakPolarHBondContact CA-O 3.11Å; Q506-I590 HydrophobicContact CB-CG1 4.01Å; Q506-I590 PolarHBondContact N-O 2.85Å; Q506-I590 PolarHBondContact O-N 3.34Å; I590-E595 HydrophobicContact CD1-CB 4.32Å
591	S	88.5	Confident	82.4	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	151.3	173.4	125	0	0	0	0	110.9	E503 V593 E594 E595	E503-S591 WeakPolarHBondContact OE2-CB 3.4Å; E503-S591 PolarHBondContact OE2-OG 2.86Å; S591-V593 PolarHBondContact O-N 3.06Å; S591-V593 VanDerWaalsContact O-N 3.15Å; S591-V593 PolarHBondContact OG-N 2.89Å; S591-E594 PolarHBondContact N-OE2 3.1Å; S591-E594 WeakPolarHBondContact O-CA 3.21Å; S591-E594 WeakPolarHBondContact O-CB 3.28Å; S591-E594 PolarHBondContact O-N 3.01Å; S591-E595 PolarHBondContact O-N 2.7Å
592	M	77.9	Confident	80.6	Confident	77 Å²	77	52.4 Å²	52.4	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-58.5	-28.7	178.8	-169.7	-170.5	70.9	0	0	112.1	T504 Y562 Y596	T504-M592 PolarHBondContact O-N 3.03Å; Y562-M592 HydrophobicContact CD1-CB 4.08Å; Y562-M592 HydrophobicContact CE1-CB 3.67Å; Y562-M592 HydrophobicContact CE1-CG 4.23Å; M592-Y596 HydrophobicContact CE-CE2 4.17Å; M592-Y596 HydrophobicContact CG-CD2 4.21Å; M592-Y596 HydrophobicContact CG-CE2 3.84Å; M592-Y596 WeakPolarHBondContact O-CD2 3.32Å; M592-Y596 PolarHBondContact O-N 3.01Å; M592-Y596 HydrophobicContact SD-CE2 4.21Å
593	V	75.9	Confident	78.5	Confident	75 Å²	75	59.3 Å²	59.3	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-73.7	-41.5	174.3	-178.3	0	0	0	0	110.6	S591 E595 Y596 E597	S591-V593 PolarHBondContact O-N 3.06Å; S591-V593 VanDerWaalsContact O-N 3.15Å; S591-V593 PolarHBondContact OG-N 2.89Å; V593-E595 VanDerWaalsContact C-N 3.33Å; V593-E595 PolarHBondContact O-N 3.26Å; V593-Y596 PolarHBondContact O-N 3.33Å; V593-E597 HydrophobicContact CG1-CG 4.35Å; V593-E597 WeakPolarHBondContact O-CB 3.19Å; V593-E597 WeakPolarHBondContact O-CG 3.3Å; V593-E597 PolarHBondContact O-N 3.43Å
594	E	78.6	Confident	76.2	Confident	60 Å²	60	64.7 Å²	64.7	28%	0.28	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-33.9	177.6	-63.5	164.4	-172	0	0	112	R451 Y453 S591 A598	R451-E594 IonicContact NH1-OE1 3.87Å; R451-E594 PolarHBondContact NH1-OE1 3.1Å; R451-E594 VanDerWaalsContact NH1-OE1 3.07Å; Y453-E594 PolarHBondContact OH-OE1 3.05Å; Y453-E594 PolarHBondContact OH-OE2 3.03Å; S591-E594 PolarHBondContact N-OE2 3.1Å; S591-E594 WeakPolarHBondContact O-CA 3.21Å; S591-E594 WeakPolarHBondContact O-CB 3.28Å; S591-E594 PolarHBondContact O-N 3.01Å; E594-A598 VanDerWaalsContact O-CB 3.22Å; E594-A598 WeakPolarHBondContact O-CB 3.11Å; E594-A598 PolarHBondContact O-N 3.43Å
595	E	77.4	Confident	73.8	Confident	62 Å²	62	68.8 Å²	68.8	29%	0.29	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-50.3	170.1	-175.6	163	-121	0	0	111.4	Y562 I590 S591 V593 E597 A598 E599	Y562-E595 WeakPolarHBondContact OH-CB 3.27Å; Y562-E595 PolarHBondContact OH-OE2 2.84Å; I590-E595 HydrophobicContact CD1-CB 4.32Å; S591-E595 PolarHBondContact O-N 2.7Å; V593-E595 VanDerWaalsContact C-N 3.33Å; V593-E595 PolarHBondContact O-N 3.26Å; E595-E597 VanDerWaalsContact C-N 3.31Å; E595-E597 PolarHBondContact O-N 3.06Å; E595-A598 CarbonylContact O-C 3.59Å; E595-A598 PolarHBondContact O-N 3.03Å; E595-A598 VanDerWaalsContact O-N 3.09Å; E595-E599 HydrophobicContact CG-CG 4.39Å; E595-E599 WeakPolarHBondContact O-CG 3.46Å; E595-E599 PolarHBondContact O-N 3.2Å
596	Y	74.1	Confident	71.1	Confident	146 Å²	146	77 Å²	77	57%	0.573	38%	0.382	S	S	*	.	H	α-helix	trans	-60.1	-37.6	177	-77.1	-48.8	0	0	0	113.1	M592 V593 E599 A600	M592-Y596 HydrophobicContact CE-CE2 4.17Å; M592-Y596 HydrophobicContact CG-CD2 4.21Å; M592-Y596 HydrophobicContact CG-CE2 3.84Å; M592-Y596 WeakPolarHBondContact O-CD2 3.32Å; M592-Y596 PolarHBondContact O-N 3.01Å; M592-Y596 HydrophobicContact SD-CE2 4.21Å; V593-Y596 PolarHBondContact O-N 3.33Å; Y596-E599 PolarHBondContact O-N 2.94Å; Y596-A600 VanDerWaalsContact O-CB 3.24Å; Y596-A600 WeakPolarHBondContact O-CB 3.28Å; Y596-A600 PolarHBondContact O-N 2.71Å
597	E	73	Confident	68.3	Low	114 Å²	114	77.9 Å²	77.9	53%	0.533	40%	0.401	S	S	.	.	H	α-helix	trans	-68.4	-39.2	173.9	-74	-174.5	178.1	0	0	111.5	V593 E595 A600 M601	V593-E597 HydrophobicContact CG1-CG 4.35Å; V593-E597 WeakPolarHBondContact O-CB 3.19Å; V593-E597 WeakPolarHBondContact O-CG 3.3Å; V593-E597 PolarHBondContact O-N 3.43Å; E595-E597 VanDerWaalsContact C-N 3.31Å; E595-E597 PolarHBondContact O-N 3.06Å; E597-A600 PolarHBondContact O-N 2.96Å; E597-M601 HydrophobicContact CB-CE 4.29Å; E597-M601 WeakPolarHBondContact O-CB 3.4Å; E597-M601 WeakPolarHBondContact O-CE 3.35Å; E597-M601 VanDerWaalsContact O-CG 3.3Å; E597-M601 WeakPolarHBondContact O-CG 3.27Å; E597-M601 PolarHBondContact O-N 3.16Å
598	A	68.1	Low	65.3	Low	34 Å²	34	82.3 Å²	82.3	28%	0.281	43%	0.432	S	S	.	.	H	α-helix	trans	-66.7	-35.7	174.1	0	0	0	0	0	112.8	E594 E595 K602	E594-A598 VanDerWaalsContact O-CB 3.22Å; E594-A598 WeakPolarHBondContact O-CB 3.11Å; E594-A598 PolarHBondContact O-N 3.43Å; E595-A598 CarbonylContact O-C 3.59Å; E595-A598 PolarHBondContact O-N 3.03Å; E595-A598 VanDerWaalsContact O-N 3.09Å; A598-K602 WeakPolarHBondContact O-CD 3.41Å; A598-K602 WeakPolarHBondContact O-CG 3.38Å; A598-K602 PolarHBondContact O-N 3.25Å
599	E	67.9	Low	62.3	Low	89 Å²	89	88.1 Å²	88.1	42%	0.416	47%	0.471	S	S	.	.	H	α-helix	trans	-70.7	-43.3	172.8	-69.9	-165.2	144.4	0	0	112.1	E595 Y596 M601 K602 H603	E595-E599 HydrophobicContact CG-CG 4.39Å; E595-E599 WeakPolarHBondContact O-CG 3.46Å; E595-E599 PolarHBondContact O-N 3.2Å; Y596-E599 PolarHBondContact O-N 2.94Å; E599-M601 VanDerWaalsContact C-N 3.34Å; E599-M601 PolarHBondContact O-N 3.42Å; E599-K602 PolarHBondContact O-N 2.69Å; E599-H603 PolarHBondContact O-CD2 3.33Å; E599-H603 PolarHBondContact O-N 3.45Å
600	A	67.9	Low	59.6	Low	55 Å²	55	95.3 Å²	95.3	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-61.3	-41.2	174	0	0	0	0	0	111.7	Y596 E597 H603 E604	Y596-A600 VanDerWaalsContact O-CB 3.24Å; Y596-A600 WeakPolarHBondContact O-CB 3.28Å; Y596-A600 PolarHBondContact O-N 2.71Å; E597-A600 PolarHBondContact O-N 2.96Å; A600-H603 PolarHBondContact O-N 3.41Å; A600-E604 PolarHBondContact O-N 3.24Å
601	M	60	Low	57	Low	122 Å²	122	95.4 Å²	95.4	60%	0.601	52%	0.522	S	S	*	.	H	α-helix	trans	-66.2	-39.2	174.3	-76.7	-173.8	-78.5	0	0	112.5	E597 E599 S605	E597-M601 HydrophobicContact CB-CE 4.29Å; E597-M601 WeakPolarHBondContact O-CB 3.4Å; E597-M601 WeakPolarHBondContact O-CE 3.35Å; E597-M601 VanDerWaalsContact O-CG 3.3Å; E597-M601 WeakPolarHBondContact O-CG 3.27Å; E597-M601 PolarHBondContact O-N 3.16Å; E599-M601 VanDerWaalsContact C-N 3.34Å; E599-M601 PolarHBondContact O-N 3.42Å; M601-S605 VanDerWaalsContact O-CB 3.3Å; M601-S605 WeakPolarHBondContact O-CB 3.27Å; M601-S605 PolarHBondContact O-N 3.4Å; M601-S605 PolarHBondContact O-OG 2.93Å
602	K	54.3	Low	54.2	Low	128 Å²	128	104.4 Å²	104.4	56%	0.557	57%	0.565	S	S	*	*	H	α-helix	trans	-61	-46.4	171.8	-71.7	160.6	-163.7	162.2	0	110.8	A598 E599 S605 F606	A598-K602 WeakPolarHBondContact O-CD 3.41Å; A598-K602 WeakPolarHBondContact O-CG 3.38Å; A598-K602 PolarHBondContact O-N 3.25Å; E599-K602 PolarHBondContact O-N 2.69Å; K602-S605 PolarHBondContact O-N 3.38Å; K602-S605 PolarHBondContact O-OG 3.37Å; K602-F606 PolarHBondContact O-N 2.7Å; K602-F606 VanDerWaalsContact O-N 3.15Å
603	H	50.2	Low	51.9	Low	147 Å²	147	109.9 Å²	109.9	68%	0.681	59%	0.589	S	S	*	*	H	α-helix	trans	-66.2	-43.6	178.2	-90	-82.9	0	0	0	113.3	E599 A600 S605 F606 A607	E599-H603 PolarHBondContact O-CD2 3.33Å; E599-H603 PolarHBondContact O-N 3.45Å; A600-H603 PolarHBondContact O-N 3.41Å; H603-S605 VanDerWaalsContact C-N 3.27Å; H603-S605 PolarHBondContact O-N 3.5Å; H603-F606 PolarHBondContact O-N 2.89Å; H603-A607 VanDerWaalsContact O-CB 3.3Å; H603-A607 WeakPolarHBondContact O-CB 3.37Å; H603-A607 PolarHBondContact O-N 3.13Å
604	E	45.4	Very low	49.7	Very low	116 Å²	116	111.4 Å²	111.4	54%	0.542	60%	0.603	S	S	.	*	H	α-helix	trans	-63	-33	172.7	-77.5	-159.2	177.9	0	0	111.5	R213 A600 F606 A607	R213-E604 IonicContact CZ-OE1 3.48Å; R213-E604 IonicContact CZ-OE2 2.8Å; R213-E604 IonicContact NH1-OE1 3.11Å; R213-E604 PolarHBondContact NH1-OE1 2.94Å; R213-E604 IonicContact NH1-OE2 3.84Å; R213-E604 PolarHBondContact NH1-OE2 3.06Å; R213-E604 IonicContact NH2-OE1 2.69Å; R213-E604 PolarHBondContact NH2-OE1 3.49Å; R213-E604 IonicContact NH2-OE2 3.67Å; R213-E604 PolarHBondContact NH2-OE2 3.28Å; A600-E604 PolarHBondContact O-N 3.24Å; E604-F606 VanDerWaalsContact C-N 3.32Å; E604-F606 PolarHBondContact O-N 3.43Å; E604-A607 PolarHBondContact O-N 3.38Å
605	S	40.8	Very low	47.3	Very low	90 Å²	90	114.2 Å²	114.2	63%	0.629	63%	0.629	S	S	*	*	H	α-helix	trans	-69.8	-24.8	176.4	78.8	0	0	0	0	114.4	M601 K602 H603	M601-S605 VanDerWaalsContact O-CB 3.3Å; M601-S605 WeakPolarHBondContact O-CB 3.27Å; M601-S605 PolarHBondContact O-N 3.4Å; M601-S605 PolarHBondContact O-OG 2.93Å; K602-S605 PolarHBondContact O-N 3.38Å; K602-S605 PolarHBondContact O-OG 3.37Å; H603-S605 VanDerWaalsContact C-N 3.27Å; H603-S605 PolarHBondContact O-N 3.5Å
606	F	39.5	Very low	45.1	Very low	172 Å²	172	115.8 Å²	115.8	75%	0.754	65%	0.653	S	S	*	*	H	α-helix	trans	-93.5	-10.9	173.3	-130.1	-95.6	0	0	0	112.9	K602 H603 E604 S608	K602-F606 PolarHBondContact O-N 2.7Å; K602-F606 VanDerWaalsContact O-N 3.15Å; H603-F606 PolarHBondContact O-N 2.89Å; E604-F606 VanDerWaalsContact C-N 3.32Å; E604-F606 PolarHBondContact O-N 3.43Å; F606-S608 PolarHBondContact O-N 3.01Å
607	A	34.2	Very low	43.1	Very low	75 Å²	75	112.9 Å²	112.9	62%	0.62	66%	0.659	S	S	*	*			trans	-83.1	44.6	-177.5	0	0	0	0	0	114.2	H603 E604	H603-A607 VanDerWaalsContact O-CB 3.3Å; H603-A607 WeakPolarHBondContact O-CB 3.37Å; H603-A607 PolarHBondContact O-N 3.13Å; E604-A607 PolarHBondContact O-N 3.38Å
608	S	31.9	Very low	41.2	Very low	93 Å²	93	116.1 Å²	116.1	65%	0.65	68%	0.679	S	S	*	*	S	Bend	trans	-85.2	145.8	154.8	-73.4	0	0	0	0	109.1	F606 I610	F606-S608 PolarHBondContact O-N 3.01Å; S608-I610 PolarHBondContact O-N 3.27Å
609	P	28.8	Very low	39.4	Very low	134 Å²	134	120.7 Å²	120.7	87%	0.87	70%	0.699	S	S	*	*			trans	-74.1	93.9	-154.6	27.7	-36.6	0	0	0	114.2
610	I	32.8	Very low	37.5	Very low	153 Å²	153	123.7 Å²	123.7	79%	0.785	72%	0.718	S	S	*	*			trans	-80.9	115	151.5	-61.3	179.5	0	0	0	106.9	S608	S608-I610 PolarHBondContact O-N 3.27Å
611	G	30.9	Very low	35.6	Very low	59 Å²	59	126 Å²	126	61%	0.608	73%	0.731	S	S	*	*			trans	-71.7	147.9	175.1	0	0	0	0	0	112.1	Q613	G611-Q613 PolarHBondContact O-N 2.98Å
612	E	27.9	Very low	34.2	Very low	192 Å²	192	126.4 Å²	126.4	90%	0.897	74%	0.735	S	S	*	*			trans	4.1	100.8	162.6	-61.9	173.8	121.8	0	0	117.1
613	Q	30.1	Very low	33.1	Very low	191 Å²	191	129.9 Å²	129.9	89%	0.893	75%	0.753	S	S	*	*			trans	-149.4	113.4	144.8	-131.4	145.3	109.7	0	0	113.8	G611	G611-Q613 PolarHBondContact O-N 2.98Å
614	S	30.4	Very low	32.4	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	76%	0.759	S	S	*	*			trans	45.1	110.1	154.7	-147.7	0	0	0	0	119.5
615	S	27.9	Very low	31.8	Very low	119 Å²	119	130.7 Å²	130.7	83%	0.832	76%	0.761	S	S	*	*			trans	-46.2	138	143.7	52.1	0	0	0	0	111.4
616	A	32.2	Very low	31.6	Very low	95 Å²	95	131 Å²	131	79%	0.785	76%	0.763	S	S	*	*			trans	-123	140.7	171.7	0	0	0	0	0	110.8
617	A	32.1	Very low	31.5	Very low	85 Å²	85	126.8 Å²	126.8	70%	0.702	76%	0.755	S	S	*	*			trans	46.3	89	166	0	0	0	0	0	118.1
618	L	32.1	Very low	31.8	Very low	182 Å²	182	125.7 Å²	125.7	95%	0.953	75%	0.746	S	S	*	*				-107.1	134.2	123.6	-82.6	175.1	0	0	0	107.2
619	N	30.1	Very low	32.4	Very low	131 Å²	131	128.2 Å²	128.2	70%	0.701	75%	0.745	S	S	*	*			trans	-94.4	161.1	-175.4	-72.3	-3.7	0	0	0	112.1
620	D	29.2	Very low	33.3	Very low	152 Å²	152	123.3 Å²	123.3	81%	0.813	72%	0.719	S	S	*	*			trans	69.1	159.6	160.9	-68.4	-52.3	0	0	0	119.6
621	S	27.3	Very low	34.2	Very low	103 Å²	103	124.5 Å²	124.5	72%	0.72	72%	0.715	S	S	*	*			trans	76.7	116.4	170	-61.6	0	0	0	0	119.7
622	D	30.8	Very low	35.3	Very low	131 Å²	131	127.9 Å²	127.9	70%	0.701	72%	0.718	S	S	*	*			trans	84.5	92.8	139	-53.3	-22	0	0	0	120.8	Q624	D622-Q624 PolarHBondContact O-N 3.22Å
623	E	30.7	Very low	36.8	Very low	200 Å²	200	124.3 Å²	124.3	94%	0.935	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	16.3	174.6	-154.5	174.4	-177.4	0	0	115.6
624	Q	36.2	Very low	38.3	Very low	173 Å²	173	119.1 Å²	119.1	81%	0.808	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	-7.9	-170	-63.7	-172.5	-2.6	0	0	115	D622 S626	D622-Q624 PolarHBondContact O-N 3.22Å; Q624-S626 PolarHBondContact O-N 3.02Å
625	N	31.8	Very low	39.9	Very low	107 Å²	107	118.4 Å²	118.4	57%	0.572	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	10.1	-164.5	-118.7	-41.9	0	0	0	116.6
626	S	36.6	Very low	41.4	Very low	97 Å²	97	115 Å²	115	68%	0.678	65%	0.654	S	S	*	*	H	α-helix	trans	-71.9	-41.7	-178.6	62.4	0	0	0	0	113.1	Q624 A628 K629 G630	Q624-S626 PolarHBondContact O-N 3.02Å; S626-A628 PolarHBondContact O-N 2.86Å; S626-K629 PolarHBondContact O-N 3.35Å; S626-G630 PolarHBondContact O-N 2.78Å
627	S	37.1	Very low	43	Very low	83 Å²	83	117 Å²	117	58%	0.58	64%	0.641	S	S	*	*	H	α-helix	trans	-63.1	-42	-179.1	-174.6	0	0	0	0	112.4	K629 G630 Y631	S627-K629 PolarHBondContact O-N 2.97Å; S627-G630 PolarHBondContact O-N 3.06Å; S627-Y631 PolarHBondContact O-N 3.43Å
628	A	41.9	Very low	44.3	Very low	52 Å²	52	121.2 Å²	121.2	43%	0.43	64%	0.64	S	S	.	*	H	α-helix	trans	-61.9	-43	178.8	0	0	0	0	0	112.4	S626 G630 Y631 L632	S626-A628 PolarHBondContact O-N 2.86Å; A628-G630 VanDerWaalsContact C-N 3.32Å; A628-G630 PolarHBondContact O-N 3.23Å; A628-Y631 PolarHBondContact O-N 3.4Å; A628-L632 WeakPolarHBondContact O-CB 3.5Å; A628-L632 PolarHBondContact O-N 3.04Å
629	K	43.9	Very low	45.6	Very low	146 Å²	146	114.8 Å²	114.8	64%	0.635	61%	0.613	S	S	*	*	H	α-helix	trans	-61.1	-39.9	175.2	-73.6	178.7	177.2	174.9	0	111.9	S626 S627 L633	S626-K629 PolarHBondContact O-N 3.35Å; S627-K629 PolarHBondContact O-N 2.97Å; K629-L633 WeakPolarHBondContact O-CB 3.31Å; K629-L633 PolarHBondContact O-N 2.96Å
630	G	47.6	Very low	47.3	Very low	31 Å²	31	113.3 Å²	113.3	32%	0.32	61%	0.608	S	S	.	*	H	α-helix	trans	-63.6	-45.2	175.6	0	0	0	0	0	113.3	S626 S627 A628 N634	S626-G630 PolarHBondContact O-N 2.78Å; S627-G630 PolarHBondContact O-N 3.06Å; A628-G630 VanDerWaalsContact C-N 3.32Å; A628-G630 PolarHBondContact O-N 3.23Å; G630-N634 WeakPolarHBondContact O-CB 3.31Å; G630-N634 PolarHBondContact O-N 3.26Å; G630-N634 VanDerWaalsContact O-N 3.1Å; G630-N634 PolarHBondContact O-ND2 2.78Å
631	Y	51.1	Low	49	Very low	178 Å²	178	111.9 Å²	111.9	70%	0.698	60%	0.595	S	S	*	*	H	α-helix	trans	-62.2	-45.9	176.6	-113.8	-85.8	0	0	0	112	S627 A628 N634 T635	S627-Y631 PolarHBondContact O-N 3.43Å; A628-Y631 PolarHBondContact O-N 3.4Å; Y631-N634 PolarHBondContact O-N 2.89Å; Y631-T635 PolarHBondContact O-N 3.38Å; Y631-T635 PolarHBondContact O-OG1 3.04Å; Y631-T635 VanDerWaalsContact O-OG1 3.05Å
632	L	54.6	Low	50.8	Low	130 Å²	130	110.2 Å²	110.2	68%	0.681	58%	0.583	S	S	*	*	H	α-helix	trans	-66.9	-40.9	-177.4	-156.3	155.9	0	0	0	112	A628 T635 A636	A628-L632 WeakPolarHBondContact O-CB 3.5Å; A628-L632 PolarHBondContact O-N 3.04Å; L632-T635 PolarHBondContact O-N 3.13Å; L632-A636 PolarHBondContact O-N 2.88Å
633	L	58.6	Low	52.1	Low	118 Å²	118	108.7 Å²	108.7	62%	0.618	57%	0.574	S	S	*	*	H	α-helix	trans	-62	-41.3	172.6	-95.9	163.7	0	0	0	112.9	K629 A636 R637	K629-L633 WeakPolarHBondContact O-CB 3.31Å; K629-L633 PolarHBondContact O-N 2.96Å; L633-A636 PolarHBondContact O-N 3.34Å; L633-R637 PolarHBondContact O-N 3.04Å
634	N	62	Low	53.4	Low	81 Å²	81	101.6 Å²	101.6	43%	0.433	55%	0.55	S	S	.	.	H	α-helix	trans	-68.4	-42.2	178	-76.5	-30.7	0	0	0	111.6	G630 Y631 A636 R637 Y638	G630-N634 WeakPolarHBondContact O-CB 3.31Å; G630-N634 PolarHBondContact O-N 3.26Å; G630-N634 VanDerWaalsContact O-N 3.1Å; G630-N634 PolarHBondContact O-ND2 2.78Å; Y631-N634 PolarHBondContact O-N 2.89Å; N634-A636 VanDerWaalsContact C-N 3.32Å; N634-A636 PolarHBondContact O-N 3.43Å; N634-R637 WeakPolarHBondContact O-CB 3.25Å; N634-R637 PolarHBondContact O-N 3.18Å; N634-R637 VanDerWaalsContact O-N 3.16Å; N634-Y638 VanDerWaalsContact O-CD2 3.3Å; N634-Y638 WeakPolarHBondContact O-CD2 3.23Å; N634-Y638 PolarHBondContact O-N 3.45Å
635	T	65.1	Low	54.7	Low	93 Å²	93	98.3 Å²	98.3	57%	0.571	53%	0.534	S	S	*	.	H	α-helix	trans	-56.7	-44.6	172.5	-58	0	0	0	0	111.6	Y631 L632 R637 Y638 A639	Y631-T635 PolarHBondContact O-N 3.38Å; Y631-T635 PolarHBondContact O-OG1 3.04Å; Y631-T635 VanDerWaalsContact O-OG1 3.05Å; L632-T635 PolarHBondContact O-N 3.13Å; T635-R637 PolarHBondContact O-N 2.98Å; T635-Y638 PolarHBondContact O-N 3.17Å; T635-A639 PolarHBondContact O-N 2.83Å
636	A	58.6	Low	55.9	Low	48 Å²	48	95.4 Å²	95.4	40%	0.397	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-42.6	175.4	0	0	0	0	0	112.6	L632 L633 N634 Y638 A639 V640	L632-A636 PolarHBondContact O-N 2.88Å; L633-A636 PolarHBondContact O-N 3.34Å; N634-A636 VanDerWaalsContact C-N 3.32Å; N634-A636 PolarHBondContact O-N 3.43Å; A636-Y638 PolarHBondContact O-N 3.07Å; A636-A639 PolarHBondContact O-N 2.99Å; A636-V640 WeakPolarHBondContact O-CG2 3.23Å; A636-V640 PolarHBondContact O-N 3.02Å
637	R	65.2	Low	56.7	Low	135 Å²	135	92.8 Å²	92.8	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-58.5	-46	175.1	-109	179.7	-179.5	146.7	-1.3	112.8	L633 N634 T635 K641	L633-R637 PolarHBondContact O-N 3.04Å; N634-R637 WeakPolarHBondContact O-CB 3.25Å; N634-R637 PolarHBondContact O-N 3.18Å; N634-R637 VanDerWaalsContact O-N 3.16Å; T635-R637 PolarHBondContact O-N 2.98Å; R637-K641 WeakPolarHBondContact O-CB 3.39Å; R637-K641 PolarHBondContact O-N 3.25Å
638	Y	59.1	Low	57.7	Low	175 Å²	175	95 Å²	95	69%	0.686	51%	0.507	S	S	*	.	H	α-helix	trans	-66.8	-39.2	178.2	-82	-75.4	0	0	0	112.3	N634 T635 A636 K641 S642	N634-Y638 VanDerWaalsContact O-CD2 3.3Å; N634-Y638 WeakPolarHBondContact O-CD2 3.23Å; N634-Y638 PolarHBondContact O-N 3.45Å; T635-Y638 PolarHBondContact O-N 3.17Å; A636-Y638 PolarHBondContact O-N 3.07Å; Y638-K641 PolarHBondContact O-N 3.43Å; Y638-S642 PolarHBondContact O-N 2.93Å; Y638-S642 VanDerWaalsContact O-N 3.11Å
639	A	59.4	Low	58.6	Low	47 Å²	47	98.2 Å²	98.2	39%	0.388	52%	0.517	S	S	.	.	H	α-helix	trans	-58.7	-53.9	174	0	0	0	0	0	111.5	T635 A636 K641 S642 I643	T635-A639 PolarHBondContact O-N 2.83Å; A636-A639 PolarHBondContact O-N 2.99Å; A639-K641 VanDerWaalsContact C-N 3.32Å; A639-K641 PolarHBondContact O-N 3.09Å; A639-S642 PolarHBondContact O-N 3.2Å; A639-S642 PolarHBondContact O-OG 2.72Å; A639-I643 WeakPolarHBondContact O-CG1 3.22Å; A639-I643 PolarHBondContact O-N 3.23Å; A639-I643 VanDerWaalsContact O-N 3.12Å
640	V	66	Low	58.8	Low	99 Å²	99	98 Å²	98	60%	0.6	52%	0.516	S	S	*	.	H	α-helix	trans	-56.6	-43	178.2	171.5	0	0	0	0	111.9	A636 S642 I643 A644	A636-V640 WeakPolarHBondContact O-CG2 3.23Å; A636-V640 PolarHBondContact O-N 3.02Å; V640-S642 PolarHBondContact O-N 2.89Å; V640-I643 PolarHBondContact O-N 2.97Å; V640-A644 PolarHBondContact O-N 2.96Å
641	K	65.5	Low	58.7	Low	123 Å²	123	98.5 Å²	98.5	54%	0.535	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-45.6	178.8	-172.6	177.1	174.3	-177.4	0	112.3	R637 Y638 A639 I643 A644 E645	R637-K641 WeakPolarHBondContact O-CB 3.39Å; R637-K641 PolarHBondContact O-N 3.25Å; Y638-K641 PolarHBondContact O-N 3.43Å; A639-K641 VanDerWaalsContact C-N 3.32Å; A639-K641 PolarHBondContact O-N 3.09Å; K641-I643 VanDerWaalsContact C-N 3.32Å; K641-I643 PolarHBondContact O-N 3.5Å; K641-A644 PolarHBondContact O-N 2.86Å; K641-E645 WeakPolarHBondContact CE-OE1 3.44Å; K641-E645 IonicContact NZ-OE1 2.79Å; K641-E645 PolarHBondContact O-N 3.38Å
642	S	65.4	Low	58.7	Low	68 Å²	68	93.2 Å²	93.2	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-64.1	-36	178.4	70.8	0	0	0	0	113.1	Y638 A639 V640 S646	Y638-S642 PolarHBondContact O-N 2.93Å; Y638-S642 VanDerWaalsContact O-N 3.11Å; A639-S642 PolarHBondContact O-N 3.2Å; A639-S642 PolarHBondContact O-OG 2.72Å; V640-S642 PolarHBondContact O-N 2.89Å; S642-S646 PolarHBondContact O-N 3.22Å
643	I	57.5	Low	58.5	Low	98 Å²	98	94 Å²	94	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-48.4	175.6	-68	165.7	0	0	0	109.8	A639 V640 K641 E645 S646 V647	A639-I643 WeakPolarHBondContact O-CG1 3.22Å; A639-I643 PolarHBondContact O-N 3.23Å; A639-I643 VanDerWaalsContact O-N 3.12Å; V640-I643 PolarHBondContact O-N 2.97Å; K641-I643 VanDerWaalsContact C-N 3.32Å; K641-I643 PolarHBondContact O-N 3.5Å; I643-E645 PolarHBondContact O-N 3.36Å; I643-S646 WeakPolarHBondContact O-CB 3.27Å; I643-S646 PolarHBondContact O-N 3.38Å; I643-S646 VanDerWaalsContact O-N 3.12Å; I643-S646 PolarHBondContact O-OG 2.96Å; I643-V647 WeakPolarHBondContact O-CG2 3.38Å; I643-V647 PolarHBondContact O-N 3.15Å
644	A	58.4	Low	57.8	Low	52 Å²	52	92.5 Å²	92.5	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-59.4	-44.9	178.9	0	0	0	0	0	112.8	V640 K641 S646 V647 L648	V640-A644 PolarHBondContact O-N 2.96Å; K641-A644 PolarHBondContact O-N 2.86Å; A644-S646 VanDerWaalsContact C-N 3.31Å; A644-S646 PolarHBondContact O-N 2.83Å; A644-V647 PolarHBondContact O-N 3.43Å; A644-V647 VanDerWaalsContact O-N 3.16Å; A644-L648 PolarHBondContact O-N 2.89Å
645	E	62.3	Low	57.1	Low	103 Å²	103	96.2 Å²	96.2	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-34.5	175.4	-71.4	177.1	-170.7	0	0	112	K641 I643 V647 N649	K641-E645 WeakPolarHBondContact CE-OE1 3.44Å; K641-E645 IonicContact NZ-OE1 2.79Å; K641-E645 PolarHBondContact O-N 3.38Å; I643-E645 PolarHBondContact O-N 3.36Å; E645-V647 VanDerWaalsContact C-N 3.33Å; E645-V647 PolarHBondContact O-N 3.27Å; E645-N649 PolarHBondContact O-N 2.87Å; E645-N649 PolarHBondContact O-ND2 3.3Å
646	S	58.8	Low	56.1	Low	46 Å²	46	98.6 Å²	98.6	32%	0.322	52%	0.515	S	S	.	.	H	α-helix	trans	-67.1	-32.5	173.8	91.4	0	0	0	0	113.2	S642 I643 A644 K650	S642-S646 PolarHBondContact O-N 3.22Å; I643-S646 WeakPolarHBondContact O-CB 3.27Å; I643-S646 PolarHBondContact O-N 3.38Å; I643-S646 VanDerWaalsContact O-N 3.12Å; I643-S646 PolarHBondContact O-OG 2.96Å; A644-S646 VanDerWaalsContact C-N 3.31Å; A644-S646 PolarHBondContact O-N 2.83Å; S646-K650 WeakPolarHBondContact O-CD 3.31Å; S646-K650 VanDerWaalsContact O-CG 3.32Å; S646-K650 WeakPolarHBondContact O-CG 3.4Å; S646-K650 PolarHBondContact O-N 3.19Å
647	V	51.6	Low	55.5	Low	43 Å²	43	99.5 Å²	99.5	26%	0.261	52%	0.515	S	S	.	.	H	α-helix	trans	-75	-46	179.5	169.1	0	0	0	0	111	I279 I643 A644 E645 N649 K650 A651	I279-V647 HydrophobicContact CD1-CG1 3.65Å; I279-V647 HydrophobicContact CD1-CG2 4.39Å; I279-V647 HydrophobicContact CG1-CG1 4.28Å; I279-V647 HydrophobicContact CG1-CG2 4.24Å; I643-V647 WeakPolarHBondContact O-CG2 3.38Å; I643-V647 PolarHBondContact O-N 3.15Å; A644-V647 PolarHBondContact O-N 3.43Å; A644-V647 VanDerWaalsContact O-N 3.16Å; E645-V647 VanDerWaalsContact C-N 3.33Å; E645-V647 PolarHBondContact O-N 3.27Å; V647-N649 VanDerWaalsContact C-N 3.32Å; V647-N649 PolarHBondContact O-N 2.8Å; V647-K650 PolarHBondContact O-N 3.08Å; V647-A651 PolarHBondContact O-N 3.36Å
648	L	59.8	Low	54.5	Low	130 Å²	130	96.9 Å²	96.9	68%	0.681	52%	0.515	S	S	*	.	H	α-helix	trans	-56.9	-45.1	176	-107.2	73.6	0	0	0	112	A644 K650 A651 S652	A644-L648 PolarHBondContact O-N 2.89Å; L648-K650 VanDerWaalsContact C-N 3.34Å; L648-K650 PolarHBondContact O-N 3.38Å; L648-A651 PolarHBondContact O-N 3.29Å; L648-S652 PolarHBondContact O-N 3.05Å
649	N	60.5	Low	53.9	Low	118 Å²	118	94.8 Å²	94.8	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-65.1	-35.4	179.7	-78.6	-58.5	0	0	0	112.7	E645 V647	E645-N649 PolarHBondContact O-N 2.87Å; E645-N649 PolarHBondContact O-ND2 3.3Å; V647-N649 VanDerWaalsContact C-N 3.32Å; V647-N649 PolarHBondContact O-N 2.8Å
650	K	47.9	Very low	53.3	Low	141 Å²	141	96.1 Å²	96.1	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-72.1	-39.6	174.1	-72.3	167.2	-174.7	164.5	0	112.3	S646 V647 L648 S652 F653 V654	S646-K650 WeakPolarHBondContact O-CD 3.31Å; S646-K650 VanDerWaalsContact O-CG 3.32Å; S646-K650 WeakPolarHBondContact O-CG 3.4Å; S646-K650 PolarHBondContact O-N 3.19Å; V647-K650 PolarHBondContact O-N 3.08Å; L648-K650 VanDerWaalsContact C-N 3.34Å; L648-K650 PolarHBondContact O-N 3.38Å; K650-S652 VanDerWaalsContact C-N 3.33Å; K650-S652 PolarHBondContact O-N 2.67Å; K650-F653 WeakPolarHBondContact O-CB 3.48Å; K650-F653 PolarHBondContact O-N 2.94Å; K650-V654 PolarHBondContact O-N 2.85Å
651	A	45	Very low	52.3	Low	43 Å²	43	95.1 Å²	95.1	36%	0.355	51%	0.507	S	S	.	.	H	α-helix	trans	-60.9	-41.4	175.7	0	0	0	0	0	112	V647 L648 F653 V654 F655	V647-A651 PolarHBondContact O-N 3.36Å; L648-A651 PolarHBondContact O-N 3.29Å; A651-F653 VanDerWaalsContact C-N 3.26Å; A651-F653 PolarHBondContact O-N 3.05Å; A651-V654 PolarHBondContact O-N 2.94Å; A651-V654 VanDerWaalsContact O-N 3.14Å; A651-F655 WeakPolarHBondContact O-CD2 3.25Å; A651-F655 PolarHBondContact O-N 3.42Å
652	S	50.6	Low	51.4	Low	66 Å²	66	92.7 Å²	92.7	46%	0.462	50%	0.502	S	S	.	.	H	α-helix	trans	-54.8	-38.9	174.4	-176.8	0	0	0	0	113	L648 K650 K656	L648-S652 PolarHBondContact O-N 3.05Å; K650-S652 VanDerWaalsContact C-N 3.33Å; K650-S652 PolarHBondContact O-N 2.67Å; S652-K656 PolarHBondContact O-N 2.84Å; S652-K656 VanDerWaalsContact O-N 3.08Å
653	F	50.4	Low	50.5	Low	146 Å²	146	92.6 Å²	92.6	64%	0.64	49%	0.494	S	S	*	.	H	α-helix	trans	-66.9	-44.7	175.7	-173.8	-94.9	0	0	0	112.4	K650 A651 F655 K656 V657	K650-F653 WeakPolarHBondContact O-CB 3.48Å; K650-F653 PolarHBondContact O-N 2.94Å; A651-F653 VanDerWaalsContact C-N 3.26Å; A651-F653 PolarHBondContact O-N 3.05Å; F653-F655 PolarHBondContact O-N 2.64Å; F653-K656 WeakPolarHBondContact O-CB 3.22Å; F653-K656 PolarHBondContact O-N 3.08Å; F653-V657 HydrophobicContact CD1-CG2 4.19Å; F653-V657 HydrophobicContact CE1-CG2 3.81Å; F653-V657 HydrophobicContact CZ-CG2 4.13Å; F653-V657 WeakPolarHBondContact O-CG2 3.47Å; F653-V657 PolarHBondContact O-N 2.86Å
654	V	44.8	Very low	49.8	Very low	87 Å²	87	93.4 Å²	93.4	53%	0.527	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-44.6	177.7	179.8	0	0	0	0	111.1	K650 A651 K656 V657 V658	K650-V654 PolarHBondContact O-N 2.85Å; A651-V654 PolarHBondContact O-N 2.94Å; A651-V654 VanDerWaalsContact O-N 3.14Å; V654-K656 VanDerWaalsContact C-N 3.31Å; V654-K656 PolarHBondContact O-N 3.45Å; V654-V657 PolarHBondContact O-N 2.81Å; V654-V658 WeakPolarHBondContact O-CG2 3.42Å; V654-V658 PolarHBondContact O-N 3.35Å
655	F	46.7	Very low	49.1	Very low	160 Å²	160	97.9 Å²	97.9	70%	0.702	51%	0.508	S	S	*	.	H	α-helix	trans	-62.5	-35	175.5	-84.9	-72.2	0	0	0	113	A651 F653 K659	A651-F655 WeakPolarHBondContact O-CD2 3.25Å; A651-F655 PolarHBondContact O-N 3.42Å; F653-F655 PolarHBondContact O-N 2.64Å; F655-K659 WeakPolarHBondContact O-CB 3.49Å; F655-K659 PolarHBondContact O-N 3.35Å
656	K	45.3	Very low	48.2	Very low	143 Å²	143	100.2 Å²	100.2	62%	0.622	52%	0.519	S	S	*	.	H	α-helix	trans	-62.8	-46.2	171.4	-85.6	-178.4	174.2	178.2	0	112.3	S652 F653 V654 K659 T660	S652-K656 PolarHBondContact O-N 2.84Å; S652-K656 VanDerWaalsContact O-N 3.08Å; F653-K656 WeakPolarHBondContact O-CB 3.22Å; F653-K656 PolarHBondContact O-N 3.08Å; V654-K656 VanDerWaalsContact C-N 3.31Å; V654-K656 PolarHBondContact O-N 3.45Å; K656-K659 PolarHBondContact O-N 3.35Å; K656-T660 PolarHBondContact O-N 3.48Å; K656-T660 PolarHBondContact O-OG1 3.37Å
657	V	46.2	Very low	47.3	Very low	66 Å²	66	105.3 Å²	105.3	40%	0.4	53%	0.531	S	S	.	.	H	α-helix	trans	-66.1	-40	-179	174	0	0	0	0	112.2	F653 V654 K659 T660 T661	F653-V657 HydrophobicContact CD1-CG2 4.19Å; F653-V657 HydrophobicContact CE1-CG2 3.81Å; F653-V657 HydrophobicContact CZ-CG2 4.13Å; F653-V657 WeakPolarHBondContact O-CG2 3.47Å; F653-V657 PolarHBondContact O-N 2.86Å; V654-V657 PolarHBondContact O-N 2.81Å; V657-K659 VanDerWaalsContact C-N 3.35Å; V657-T660 PolarHBondContact O-OG1 3.16Å; V657-T661 PolarHBondContact O-N 3.29Å; V657-T661 VanDerWaalsContact O-N 3.11Å; V657-T661 PolarHBondContact O-OG1 3.43Å
658	V	44.1	Very low	46.8	Very low	81 Å²	81	109.2 Å²	109.2	49%	0.491	55%	0.55	S	S	.	*	H	α-helix	trans	-64.3	-41.6	173.7	174.5	0	0	0	0	110.7	V654 T661 T662	V654-V658 WeakPolarHBondContact O-CG2 3.42Å; V654-V658 PolarHBondContact O-N 3.35Å; V658-T661 PolarHBondContact O-OG1 2.85Å; V658-T662 PolarHBondContact O-N 2.7Å; V658-T662 VanDerWaalsContact O-N 3.13Å; V658-T662 PolarHBondContact O-OG1 3.49Å
659	K	46.3	Very low	45.9	Very low	130 Å²	130	108.1 Å²	108.1	57%	0.565	55%	0.554	S	S	*	*	H	α-helix	trans	-65.2	-48.1	178.3	-173.8	174.3	174.2	-177	0	112.4	F655 K656 V657 T661 T662 E663	F655-K659 WeakPolarHBondContact O-CB 3.49Å; F655-K659 PolarHBondContact O-N 3.35Å; K656-K659 PolarHBondContact O-N 3.35Å; V657-K659 VanDerWaalsContact C-N 3.35Å; K659-T661 PolarHBondContact O-N 2.87Å; K659-T662 PolarHBondContact O-N 3.16Å; K659-T662 PolarHBondContact O-OG1 3.33Å; K659-E663 WeakPolarHBondContact CE-OE1 3.21Å; K659-E663 IonicContact NZ-OE1 3.15Å; K659-E663 PolarHBondContact O-N 2.66Å
660	T	47.2	Very low	45	Very low	76 Å²	76	106 Å²	106	47%	0.466	55%	0.552	S	S	.	*	H	α-helix	trans	-63.2	-40.8	179.9	51.4	0	0	0	0	112.1	K656 V657 T662 E663 Q664	K656-T660 PolarHBondContact O-N 3.48Å; K656-T660 PolarHBondContact O-OG1 3.37Å; V657-T660 PolarHBondContact O-OG1 3.16Å; T660-T662 PolarHBondContact O-N 2.99Å; T660-E663 PolarHBondContact O-N 3.48Å; T660-Q664 WeakPolarHBondContact O-CB 3.33Å; T660-Q664 PolarHBondContact O-N 3.41Å
661	T	44.9	Very low	44.5	Very low	78 Å²	78	106.7 Å²	106.7	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-63.5	-37.1	175.6	46.5	0	0	0	0	112.8	V657 V658 K659 Q664 Q665	V657-T661 PolarHBondContact O-N 3.29Å; V657-T661 VanDerWaalsContact O-N 3.11Å; V657-T661 PolarHBondContact O-OG1 3.43Å; V658-T661 PolarHBondContact O-OG1 2.85Å; K659-T661 PolarHBondContact O-N 2.87Å; T661-Q664 PolarHBondContact O-N 3.37Å; T661-Q665 PolarHBondContact O-N 2.97Å; T661-Q665 VanDerWaalsContact O-N 3.09Å
662	T	44.9	Very low	43.9	Very low	71 Å²	71	108.8 Å²	108.8	44%	0.436	59%	0.588	S	S	.	*	H	α-helix	trans	-67.5	-38	171.3	50	0	0	0	0	113.8	V658 K659 T660 Q664 Q666	V658-T662 PolarHBondContact O-N 2.7Å; V658-T662 VanDerWaalsContact O-N 3.13Å; V658-T662 PolarHBondContact O-OG1 3.49Å; K659-T662 PolarHBondContact O-N 3.16Å; K659-T662 PolarHBondContact O-OG1 3.33Å; T660-T662 PolarHBondContact O-N 2.99Å; T662-Q664 VanDerWaalsContact C-N 3.32Å; T662-Q664 PolarHBondContact O-N 3.02Å; T662-Q666 WeakPolarHBondContact O-CG 3.37Å; T662-Q666 PolarHBondContact O-N 2.97Å
663	E	47.7	Very low	42.9	Very low	66 Å²	66	109.3 Å²	109.3	31%	0.308	60%	0.604	S	S	.	*	H	α-helix	trans	-68.1	-32	176.6	-74.9	-172.4	-152.4	0	0	112.6	K659 T660 R667	K659-E663 WeakPolarHBondContact CE-OE1 3.21Å; K659-E663 IonicContact NZ-OE1 3.15Å; K659-E663 PolarHBondContact O-N 2.66Å; T660-E663 PolarHBondContact O-N 3.48Å; E663-R667 WeakPolarHBondContact O-CG 3.26Å; E663-R667 PolarHBondContact O-N 3.4Å; E663-R667 IonicContact OE2-CZ 2.65Å; E663-R667 IonicContact OE2-NH1 3.58Å; E663-R667 IonicContact OE2-NH2 2.71Å; E663-R667 PolarHBondContact OE2-NH2 2.94Å
664	Q	43.4	Very low	42.2	Very low	115 Å²	115	107.2 Å²	107.2	54%	0.537	61%	0.614	S	S	.	*	H	α-helix	trans	-72.6	-48.3	176.8	-140.4	155.5	-23.5	0	0	110.9	T660 T661 T662 Q666 R667 D668	T660-Q664 WeakPolarHBondContact O-CB 3.33Å; T660-Q664 PolarHBondContact O-N 3.41Å; T661-Q664 PolarHBondContact O-N 3.37Å; T662-Q664 VanDerWaalsContact C-N 3.32Å; T662-Q664 PolarHBondContact O-N 3.02Å; Q664-Q666 PolarHBondContact O-N 3.38Å; Q664-Q666 VanDerWaalsContact O-N 3.11Å; Q664-R667 PolarHBondContact O-N 3.37Å; Q664-D668 VanDerWaalsContact O-CG 3.28Å; Q664-D668 PolarHBondContact O-N 3.17Å
665	Q	41.7	Very low	41.6	Very low	146 Å²	146	109 Å²	109	68%	0.682	63%	0.625	S	S	*	*	H	α-helix	trans	-59.8	-24.6	175.5	-103.1	-175	-2.2	0	0	114.4	T661 S669	T661-Q665 PolarHBondContact O-N 2.97Å; T661-Q665 VanDerWaalsContact O-N 3.09Å; Q665-S669 PolarHBondContact O-OG 3.05Å
666	Q	43.6	Very low	40.9	Very low	153 Å²	153	111 Å²	111	72%	0.715	63%	0.634	S	S	*	*	H	α-helix	trans	-83.3	-27.6	173.2	-72.3	-167.6	-55.2	0	0	114	T662 Q664	T662-Q666 WeakPolarHBondContact O-CG 3.37Å; T662-Q666 PolarHBondContact O-N 2.97Å; Q664-Q666 PolarHBondContact O-N 3.38Å; Q664-Q666 VanDerWaalsContact O-N 3.11Å
667	R	39.9	Very low	40.3	Very low	152 Å²	152	108.5 Å²	108.5	57%	0.574	64%	0.64	S	S	*	*	H	α-helix	trans	-76.4	-40	174.3	-71.3	174.6	-169.7	123.7	13.5	111.5	E663 Q664 S669 A670	E663-R667 WeakPolarHBondContact O-CG 3.26Å; E663-R667 PolarHBondContact O-N 3.4Å; E663-R667 IonicContact OE2-CZ 2.65Å; E663-R667 IonicContact OE2-NH1 3.58Å; E663-R667 IonicContact OE2-NH2 2.71Å; E663-R667 PolarHBondContact OE2-NH2 2.94Å; Q664-R667 PolarHBondContact O-N 3.37Å; R667-S669 PolarHBondContact O-N 3.27Å; R667-S669 VanDerWaalsContact O-N 3.13Å; R667-A670 WeakPolarHBondContact O-CB 3.29Å; R667-A670 PolarHBondContact O-N 3.1Å
668	D	41.5	Very low	39.6	Very low	125 Å²	125	114.1 Å²	114.1	67%	0.668	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-12.4	-177.6	-59	-21.5	0	0	0	113.5	Q664	Q664-D668 VanDerWaalsContact O-CG 3.28Å; Q664-D668 PolarHBondContact O-N 3.17Å
669	S	41.2	Very low	39.1	Very low	108 Å²	108	115.5 Å²	115.5	76%	0.755	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	1.6	173.5	-57.4	0	0	0	0	114.1	Q665 R667	Q665-S669 PolarHBondContact O-OG 3.05Å; R667-S669 PolarHBondContact O-N 3.27Å; R667-S669 VanDerWaalsContact O-N 3.13Å
670	A	41.4	Very low	38.3	Very low	73 Å²	73	113.8 Å²	113.8	60%	0.603	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-18.9	-172.1	0	0	0	0	0	115.2	R667	R667-A670 WeakPolarHBondContact O-CB 3.29Å; R667-A670 PolarHBondContact O-N 3.1Å
671	N	38.5	Very low	37.6	Very low	156 Å²	156	115.7 Å²	115.7	83%	0.834	69%	0.688	S	S	*	*			trans	-114.2	27.8	-172.1	-79.8	-0.8	0	0	0	114.4	G673	N671-G673 PolarHBondContact O-N 2.76Å; N671-G673 VanDerWaalsContact O-N 3.09Å
672	G	31.1	Very low	36.8	Very low	86 Å²	86	119.8 Å²	119.8	89%	0.887	71%	0.707	S	S	*	*			trans	-79.7	82.2	178.6	0	0	0	0	0	113.3
673	G	29.9	Very low	36.1	Very low	77 Å²	77	119.9 Å²	119.9	79%	0.794	72%	0.723	S	S	*	*			trans	-171.8	58.6	-176	0	0	0	0	0	118.2	N671	N671-G673 PolarHBondContact O-N 2.76Å; N671-G673 VanDerWaalsContact O-N 3.09Å
674	A	35.6	Very low	35.1	Very low	103 Å²	103	124.2 Å²	124.2	85%	0.851	75%	0.748	S	S	*	*			trans	-154.1	146.6	160.8	0	0	0	0	0	111.4
675	T	32.8	Very low	34.5	Very low	123 Å²	123	125.3 Å²	125.3	76%	0.755	76%	0.762	S	S	*	*			trans	-129.1	134.6	-176.6	49.6	0	0	0	0	111.3
676	F	31.4	Very low	34	Very low	203 Å²	203	125 Å²	125	89%	0.89	77%	0.77	S	S	*	*				160.1	160.2	129.4	-106.9	-93.1	0	0	0	113.9
677	A	33.2	Very low	33.2	Very low	91 Å²	91	122.7 Å²	122.7	75%	0.752	77%	0.771	S	S	*	*			trans	66.5	111.7	153.7	0	0	0	0	0	121.6
678	H	31.5	Very low	32.8	Very low	183 Å²	183	120.4 Å²	120.4	85%	0.847	78%	0.778	S	S	*	*			trans	-74.8	164.3	139.9	-90.6	-63.7	0	0	0	109.4
679	P	33.1	Very low	32.4	Very low	110 Å²	110	118.9 Å²	118.9	71%	0.714	78%	0.777	S	S	*	*			cis	-151.7	180	43.3	40.8	-18.2	0	0	0	119.9
680	S	30.5	Very low	31.9	Very low	94 Å²	94	119.1 Å²	119.1	66%	0.657	78%	0.779	S	S	*	*			trans	65.1	129.4	143.8	57.9	0	0	0	0	124.1
681	T	31.2	Very low	31.4	Very low	117 Å²	117	125.9 Å²	125.9	72%	0.718	80%	0.795	S	S	*	*			trans	73.4	119.1	141.6	47.1	0	0	0	0	122.4
682	N	29.3	Very low	31	Very low	163 Å²	163	122.1 Å²	122.1	87%	0.872	78%	0.781	S	S	*	*			trans	67.6	112	140	-56.8	3.7	0	0	0	119.4
683	G	30	Very low	31.1	Very low	74 Å²	74	128.4 Å²	128.4	76%	0.763	78%	0.78	S	S	*	*			trans	172.6	128.7	169.1	0	0	0	0	0	109
684	D	26.9	Very low	31.4	Very low	157 Å²	157	135.1 Å²	135.1	84%	0.84	78%	0.781	S	S	*	*			trans	-78.7	-175.8	-169.9	-62.9	-82.7	0	0	0	114.8
685	V	29.6	Very low	31.5	Very low	137 Å²	137	135.1 Å²	135.1	83%	0.83	78%	0.775	S	S	*	*			trans	94.5	145.7	161	-164.5	0	0	0	0	116.9
686	V	31.3	Very low	31.4	Very low	139 Å²	139	134.9 Å²	134.9	84%	0.842	78%	0.777	S	S	*	*			trans	77	102.9	179.6	-162.2	0	0	0	0	116.7
687	S	27.1	Very low	31.8	Very low	105 Å²	105	132 Å²	132	73%	0.734	77%	0.77	S	S	*	*			trans	-90.3	-178.3	166.5	58.6	0	0	0	0	112.2
688	S	32.3	Very low	31.9	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	77%	0.773	S	S	*	*			trans	107.1	83.4	171.1	-49.3	0	0	0	0	114.6
689	S	32	Very low	32	Very low	92 Å²	92	132 Å²	132	64%	0.643	77%	0.772	S	S	*	*				88.4	55.1	77.6	68.7	0	0	0	0	116.2
690	S	30.4	Very low	32	Very low	114 Å²	114	132 Å²	132	80%	0.797	77%	0.772	S	S	*	*	S	Bend	trans	-62.5	153.2	135.5	-72.2	0	0	0	0	109.4
691	F	31.2	Very low	32.1	Very low	214 Å²	214	136.4 Å²	136.4	94%	0.939	78%	0.779	S	S	*	*			trans	67.6	81.1	-171.1	-72.6	-96.9	0	0	0	116.2
692	S	30.7	Very low	32.3	Very low	77 Å²	77	138.7 Å²	138.7	54%	0.538	79%	0.787	S	S	.	*			trans	-146.7	3.1	161	57	0	0	0	0	114.5	W694	S692-W694 PolarHBondContact O-N 2.88Å; S692-W694 VanDerWaalsContact O-N 3.11Å
693	Y	32.7	Very low	32.3	Very low	219 Å²	219	139.1 Å²	139.1	86%	0.859	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	11.3	-169.9	-126.3	-87.1	0	0	0	115.8
694	W	35.7	Very low	32.3	Very low	218 Å²	218	140.2 Å²	140.2	83%	0.826	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	-2.8	-175.6	-95.9	74.1	0	0	0	114.2	S692 C696	S692-W694 PolarHBondContact O-N 2.88Å; S692-W694 VanDerWaalsContact O-N 3.11Å; W694-C696 PolarHBondContact O-N 3.31Å
695	S	38	Very low	32.4	Very low	103 Å²	103	142.2 Å²	142.2	72%	0.72	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	13.7	-165.9	-48.7	0	0	0	0	115.7
696	C	31.7	Very low	32.3	Very low	117 Å²	117	146.6 Å²	146.6	79%	0.791	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	11.2	-174.3	-65.8	0	0	0	0	115	W694	W694-C696 PolarHBondContact O-N 3.31Å
697	L	39.8	Very low	32.4	Very low	144 Å²	144	148 Å²	148	75%	0.754	78%	0.778	S	S	*	*	S	Bend	trans	-116.6	0.4	-170.4	-89.4	166.2	0	0	0	116.2
698	L	34.8	Very low	32.7	Very low	156 Å²	156	149.2 Å²	149.2	82%	0.817	78%	0.781	S	S	*	*			trans	-139.9	96.1	-179.5	-66.6	95.1	0	0	0	113
699	S	33.3	Very low	33	Very low	117 Å²	117	147.9 Å²	147.9	82%	0.818	77%	0.772	S	S	*	*			trans	-176.6	122.4	143.6	-171	0	0	0	0	111.2
700	P	34.2	Very low	33.4	Very low	110 Å²	110	154.9 Å²	154.9	71%	0.714	78%	0.784	S	S	*	*			trans	-100	157.1	174.3	37.6	-32.6	0	0	0	113.4
701	K	32.9	Very low	33.8	Very low	187 Å²	187	157.3 Å²	157.3	81%	0.813	78%	0.782	S	S	*	*			trans	61.4	90.7	168.2	-55.2	179.8	-177.2	-177.5	0	116.8
702	N	34.4	Very low	34	Very low	164 Å²	164	150.5 Å²	150.5	88%	0.877	76%	0.761	S	S	*	*				-169.5	175.8	104.4	-135.7	-28.1	0	0	0	113.7
703	Q	29.9	Very low	34.3	Very low	172 Å²	172	155 Å²	155	80%	0.804	77%	0.767	S	S	*	*			trans	-92.7	146.1	-163.8	-64.7	-173.9	-7.5	0	0	117.9
704	S	29	Very low	34.4	Very low	98 Å²	98	151.3 Å²	151.3	69%	0.685	76%	0.756	S	S	*	*			trans	83.2	141.1	144.3	87.9	0	0	0	0	120.8
705	K	29.6	Very low	34.9	Very low	199 Å²	199	144.4 Å²	144.4	87%	0.865	74%	0.738	S	S	*	*			trans	73.1	133.3	161.6	-61.2	170.5	-177.3	171.7	0	118.6
706	R	28.3	Very low	35	Very low	228 Å²	228	145 Å²	145	86%	0.86	73%	0.729	S	S	*	*			trans	86	149.3	156.8	-82.2	178.9	172.9	177.7	-0.7	121.7
707	F	33.4	Very low	35.3	Very low	170 Å²	170	145.1 Å²	145.1	75%	0.746	72%	0.721	S	S	*	*			trans	65.8	73.7	164.1	-69.8	-66.4	0	0	0	121.7
708	T	33	Very low	35.2	Very low	130 Å²	130	144.5 Å²	144.5	80%	0.798	72%	0.716	S	S	*	*				16	107.1	120.5	58.7	0	0	0	0	118.5
709	S	38.1	Very low	35.7	Very low	77 Å²	77	143.3 Å²	143.3	54%	0.538	71%	0.706	S	S	.	*			trans	-144.4	125.2	152.4	177.6	0	0	0	0	110.3	H711	S709-H711 PolarHBondContact O-N 3Å
710	R	39.4	Very low	35.9	Very low	238 Å²	238	143.4 Å²	143.4	90%	0.898	70%	0.697	S	S	*	*	H	α-helix	trans	-68.7	-13.3	-179.1	-76.7	-176.9	172.5	171.2	-1.9	113.6
711	H	39.3	Very low	36	Very low	165 Å²	165	149.7 Å²	149.7	76%	0.764	71%	0.707	S	S	*	*	H	α-helix	trans	-84.3	-31.4	-175.6	-84.4	-88.1	0	0	0	114.9	S709 Y713	S709-H711 PolarHBondContact O-N 3Å; H711-Y713 VanDerWaalsContact C-N 3.34Å; H711-Y713 PolarHBondContact O-N 3.38Å
712	C	35.6	Very low	36.1	Very low	72 Å²	72	148.8 Å²	148.8	49%	0.486	70%	0.703	S	S	.	*	H	α-helix	trans	-70.5	-31.5	177.3	-68.7	0	0	0	0	112.9	F714 T715 Q716	C712-F714 VanDerWaalsContact C-N 3.27Å; C712-F714 PolarHBondContact O-N 2.9Å; C712-T715 PolarHBondContact O-N 3.38Å; C712-T715 PolarHBondContact O-OG1 3.49Å; C712-Q716 PolarHBondContact O-N 2.9Å
713	Y	37.1	Very low	36.1	Very low	170 Å²	170	146.6 Å²	146.6	67%	0.667	70%	0.695	S	S	*	*	H	α-helix	trans	-63.3	-32.4	-174.2	-144.3	-92.5	0	0	0	112.6	H711 Q716 L717	H711-Y713 VanDerWaalsContact C-N 3.34Å; H711-Y713 PolarHBondContact O-N 3.38Å; Y713-Q716 PolarHBondContact O-N 3.09Å; Y713-L717 HydrophobicContact CD1-CD1 4.43Å; Y713-L717 HydrophobicContact CE1-CD1 4.25Å; Y713-L717 PolarHBondContact O-N 3.38Å
714	F	35.8	Very low	36.1	Very low	143 Å²	143	145.1 Å²	145.1	63%	0.627	70%	0.698	S	S	*	*	H	α-helix	trans	-71.1	-43.2	-179.5	-171.2	-100.4	0	0	0	112.6	C712 Q716 L717 M718	C712-F714 VanDerWaalsContact C-N 3.27Å; C712-F714 PolarHBondContact O-N 2.9Å; F714-Q716 VanDerWaalsContact C-N 3.31Å; F714-Q716 PolarHBondContact O-N 3.31Å; F714-L717 PolarHBondContact O-N 3.07Å; F714-M718 HydrophobicContact CE1-CG 4.3Å; F714-M718 VanDerWaalsContact O-CG 3.31Å; F714-M718 WeakPolarHBondContact O-CG 3.38Å; F714-M718 PolarHBondContact O-N 2.91Å
715	T	44.9	Very low	36.5	Very low	73 Å²	73	144.6 Å²	144.6	45%	0.448	70%	0.7	S	S	.	*	H	α-helix	trans	-60.8	-40.7	173	25	0	0	0	0	112	C712 M718 Q719	C712-T715 PolarHBondContact O-N 3.38Å; C712-T715 PolarHBondContact O-OG1 3.49Å; T715-M718 PolarHBondContact O-N 3.15Å; T715-Q719 PolarHBondContact O-N 2.82Å
716	Q	39.5	Very low	36.7	Very low	115 Å²	115	140.4 Å²	140.4	54%	0.537	70%	0.696	S	S	.	*	H	α-helix	trans	-70.4	-34.5	-179.3	-155.8	162.3	8.4	0	0	112.2	C712 Y713 F714 M718 Q719 N720	C712-Q716 PolarHBondContact O-N 2.9Å; Y713-Q716 PolarHBondContact O-N 3.09Å; F714-Q716 VanDerWaalsContact C-N 3.31Å; F714-Q716 PolarHBondContact O-N 3.31Å; Q716-M718 VanDerWaalsContact C-N 3.28Å; Q716-M718 PolarHBondContact O-N 2.94Å; Q716-Q719 PolarHBondContact O-N 2.84Å; Q716-N720 PolarHBondContact O-N 3.46Å; Q716-N720 PolarHBondContact O-OD1 2.9Å
717	L	38.3	Very low	36.9	Very low	119 Å²	119	135.6 Å²	135.6	62%	0.623	69%	0.694	S	S	*	*	H	α-helix	trans	-62.5	-34.1	171.7	-138.5	79.8	0	0	0	112.7	Y713 F714 Q719	Y713-L717 HydrophobicContact CD1-CD1 4.43Å; Y713-L717 HydrophobicContact CE1-CD1 4.25Å; Y713-L717 PolarHBondContact O-N 3.38Å; F714-L717 PolarHBondContact O-N 3.07Å; L717-Q719 VanDerWaalsContact C-N 3.32Å
718	M	39	Very low	37	Very low	132 Å²	132	135.4 Å²	135.4	65%	0.65	70%	0.699	S	S	*	*	H	α-helix	trans	-79.1	-11.2	-178.8	-66.3	-71.5	-77.9	0	0	113.8	F714 T715 Q716	F714-M718 HydrophobicContact CE1-CG 4.3Å; F714-M718 VanDerWaalsContact O-CG 3.31Å; F714-M718 WeakPolarHBondContact O-CG 3.38Å; F714-M718 PolarHBondContact O-N 2.91Å; T715-M718 PolarHBondContact O-N 3.15Å; Q716-M718 VanDerWaalsContact C-N 3.28Å; Q716-M718 PolarHBondContact O-N 2.94Å
719	Q	44.9	Very low	37.1	Very low	131 Å²	131	133.3 Å²	133.3	61%	0.612	70%	0.695	S	S	*	*	H	α-helix	trans	-101.1	-23.7	177.2	-66.9	177.7	-81.2	0	0	112.9	T715 Q716 L717 R721 F722	T715-Q719 PolarHBondContact O-N 2.82Å; Q716-Q719 PolarHBondContact O-N 2.84Å; L717-Q719 VanDerWaalsContact C-N 3.32Å; Q719-R721 PolarHBondContact O-N 3Å; Q719-F722 PolarHBondContact O-N 3.32Å
720	N	36.4	Very low	36.7	Very low	118 Å²	118	137.9 Å²	137.9	63%	0.631	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	30.8	-174.8	-74.5	2.9	0	0	0	115.7	Q716	Q716-N720 PolarHBondContact O-N 3.46Å; Q716-N720 PolarHBondContact O-OD1 2.9Å
721	R	38	Very low	36.2	Very low	243 Å²	243	133.5 Å²	133.5	92%	0.917	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	21.7	161.4	-79.9	-163.2	176.1	-147	1.4	112.5	Q719	Q719-R721 PolarHBondContact O-N 3Å
722	F	34.6	Very low	35.7	Very low	167 Å²	167	130.9 Å²	130.9	73%	0.732	71%	0.707	S	S	*	*	S	Bend	trans	-135.5	35.3	-172.2	-116.4	-77.6	0	0	0	114.1	Q719	Q719-F722 PolarHBondContact O-N 3.32Å
723	V	33.8	Very low	35.5	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.715	73%	0.727	S	S	*	*			trans	-135.9	111.5	172.9	-174.4	0	0	0	0	111.4
724	T	30.4	Very low	35.4	Very low	141 Å²	141	137.4 Å²	137.4	87%	0.865	74%	0.739	S	S	*	*			trans	-136.9	155.5	149.9	43.6	0	0	0	0	107
725	X	36.1	Very low	35.1	Very low	87 Å²	87	136 Å²	136	72%	0.719	75%	0.747	S	S	*	*	S	Bend	trans	68.2	144.6	-160.6	0	0	0	0	0	114.8
726	S	35.4	Very low	34.5	Very low	111 Å²	111	136.1 Å²	136.1	78%	0.776	76%	0.763	S	S	*	*			trans	-117.5	151.5	-158.5	-53	0	0	0	0	113.2
727	P	32	Very low	33.8	Very low	128 Å²	128	142 Å²	142	83%	0.831	78%	0.78	S	S	*	*			trans	-88.8	129.6	163.9	33.8	-29.3	0	0	0	111.2
728	I	35.8	Very low	33.4	Very low	165 Å²	165	141.2 Å²	141.2	85%	0.846	79%	0.785	S	S	*	*			trans	-112.8	133.9	159.9	-65.8	177.5	0	0	0	107
729	A	34.7	Very low	33	Very low	86 Å²	86	139.2 Å²	139.2	71%	0.711	78%	0.784	S	S	*	*			trans	-88.3	148.2	-172.3	0	0	0	0	0	112.5
730	L	28.8	Very low	32.3	Very low	173 Å²	173	139.1 Å²	139.1	91%	0.906	79%	0.792	S	S	*	*			trans	-70.8	128.1	157.6	-77.8	80.9	0	0	0	109.1
731	D	30.2	Very low	32	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	80%	0.796	S	S	*	*			trans	-138.5	90.2	155.5	-109.4	-35.5	0	0	0	107.5
732	S	29.5	Very low	31.7	Very low	110 Å²	110	132.9 Å²	132.9	77%	0.769	79%	0.789	S	S	*	*			trans	-160.4	92.5	170.8	-175.4	0	0	0	0	110.6
733	F	30.4	Very low	31.4	Very low	207 Å²	207	130.4 Å²	130.4	91%	0.908	79%	0.788	S	S	*	*			trans	-166.6	98.4	152.2	-115.5	-69.5	0	0	0	110.5
734	N	34.2	Very low	31.2	Very low	171 Å²	171	129.1 Å²	129.1	91%	0.914	78%	0.784	S	S	*	*			trans	-154.7	144.7	148.8	-130	-23	0	0	0	109.7
735	S	29.6	Very low	31.1	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	78%	0.778	S	S	*	*			trans	-116.8	142.1	-159.6	70.8	0	0	0	0	115.2
736	G	32.1	Very low	30.6	Very low	75 Å²	75	131.9 Å²	131.9	77%	0.773	78%	0.782	S	S	*	*			trans	133.3	157.4	152.7	0	0	0	0	0	114.1
737	R	26.7	Very low	30.3	Very low	239 Å²	239	131.6 Å²	131.6	90%	0.902	78%	0.775	S	S	*	*			cis	-172.2	150.3	-17.5	-177.6	-180	-179	-169.1	0.5	106.3
738	S	29.3	Very low	30.2	Very low	102 Å²	102	128.9 Å²	128.9	71%	0.713	77%	0.77	S	S	*	*			trans	74.5	121.8	168.7	-118.5	0	0	0	0	114.1
739	S	29.6	Very low	29.9	Very low	91 Å²	91	128.8 Å²	128.8	64%	0.636	76%	0.763	S	S	*	*				88.1	136.7	79.2	72.6	0	0	0	0	112.1
740	T	31.3	Very low	29.5	Very low	129 Å²	129	133.7 Å²	133.7	79%	0.791	76%	0.763	S	S	*	*			cis	-171.8	160	6.5	8.3	0	0	0	0	109
741	A	30	Very low	29.5	Very low	85 Å²	85	133.5 Å²	133.5	70%	0.702	75%	0.751	S	S	*	*			trans	65.6	157	157.1	0	0	0	0	0	117.8
742	D	31.3	Very low	29.3	Very low	144 Å²	144	134.2 Å²	134.2	77%	0.77	75%	0.747	S	S	*	*			cis	-151.4	174.7	-3.8	-123.3	-27.4	0	0	0	115.3
743	T	29.2	Very low	29.3	Very low	115 Å²	115	134 Å²	134	71%	0.706	74%	0.741	S	S	*	*			trans	-35.9	166.6	162.5	48.3	0	0	0	0	119
744	S	29.1	Very low	29.2	Very low	91 Å²	91	131.9 Å²	131.9	64%	0.636	73%	0.732	S	S	*	*			cis	176.4	151.5	-18.7	59.2	0	0	0	0	112.5
745	S	27.9	Very low	28.9	Very low	107 Å²	107	133.3 Å²	133.3	75%	0.748	73%	0.726	S	S	*	*			trans	66.3	171.8	149.5	83.9	0	0	0	0	118.2
746	F	26.3	Very low	28.9	Very low	180 Å²	180	131 Å²	131	79%	0.789	72%	0.719	S	S	*	*			cis	-152.6	128.5	-1.3	-164	-120	0	0	0	113.7
747	V	29.2	Very low	28.7	Very low	105 Å²	105	134.5 Å²	134.5	64%	0.636	72%	0.72	S	S	*	*			trans	27.5	124	143.7	-176.8	0	0	0	0	122.5
748	G	29.8	Very low	28.9	Very low	70 Å²	70	128.9 Å²	128.9	72%	0.722	71%	0.713	S	S	*	*			trans	105.8	162.2	130	0	0	0	0	0	118.5
749	K	28.5	Very low	29	Very low	163 Å²	163	128.6 Å²	128.6	71%	0.709	71%	0.711	S	S	*	*			cis	-169.8	132.4	-1.1	-115.1	177.7	-177.1	167.1	0	110.5
750	R	27.1	Very low	29	Very low	190 Å²	190	132.1 Å²	132.1	72%	0.717	72%	0.722	S	S	*	*			trans	63.7	156.5	140.6	-64.6	-177.5	179.7	-177.4	-0.9	117.9
751	R	27.4	Very low	29	Very low	169 Å²	169	132.9 Å²	132.9	64%	0.638	72%	0.721	S	S	*	*			cis	-171.6	154.9	-4.8	-116.5	-177.4	-174.6	173.6	-3.5	109.1
752	F	27.3	Very low	29.1	Very low	162 Å²	162	131.9 Å²	131.9	71%	0.711	72%	0.719	S	S	*	*			trans	69.3	150.9	140	-80.4	-147.9	0	0	0	119.6
753	T	29	Very low	29.2	Very low	106 Å²	106	130 Å²	130	65%	0.65	71%	0.705	S	S	*	*			cis	-168.6	159.4	-12	19.8	0	0	0	0	113.8
754	K	27.8	Very low	29.1	Very low	161 Å²	161	129.1 Å²	129.1	70%	0.7	70%	0.702	S	S	*	*			trans	80.5	123.2	139.4	-83.9	-161.4	175.4	-172.5	0	123.4
755	Y	28	Very low	29.2	Very low	202 Å²	202	128.7 Å²	128.7	79%	0.792	70%	0.7	S	S	*	*			trans	67.7	144.1	133.9	-75.3	-137.5	0	0	0	119.4
756	G	30	Very low	29.6	Very low	64 Å²	64	128.6 Å²	128.6	66%	0.66	70%	0.699	S	S	*	*			cis	153.8	163	-8.7	0	0	0	0	0	114.6
757	N	28.8	Very low	30	Very low	149 Å²	149	126.9 Å²	126.9	80%	0.797	70%	0.698	S	S	*	*			trans	68.1	154.2	164.7	-70	2.4	0	0	0	118.1
758	T	29.8	Very low	30.3	Very low	121 Å²	121	131.7 Å²	131.7	74%	0.742	71%	0.71	S	S	*	*			cis	-161.2	150.4	-2.2	7.5	0	0	0	0	113.6
759	S	30.7	Very low	30.4	Very low	97 Å²	97	136 Å²	136	68%	0.678	72%	0.717	S	S	*	*			trans	40	135.7	132.8	-164.7	0	0	0	0	124
760	L	30.8	Very low	30.7	Very low	164 Å²	164	136.9 Å²	136.9	86%	0.859	72%	0.723	S	S	*	*				-161.3	166.3	115.7	-132.9	79.4	0	0	0	113.7
761	N	30.7	Very low	30.9	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	73%	0.73	S	S	*	*			trans	-123.7	164.3	-178.2	-85.4	-21	0	0	0	113.1
762	G	33.2	Very low	31	Very low	63 Å²	63	135 Å²	135	65%	0.649	74%	0.739	S	S	*	*			trans	-169.3	153.4	170.2	0	0	0	0	0	113.4
763	H	32.1	Very low	31.5	Very low	106 Å²	106	136 Å²	136	49%	0.491	74%	0.742	S	S	.	*			trans	-150.5	177.4	-166	-65.6	-28.4	0	0	0	115.8	N815	H763-N815 PolarHBondContact O-OD1 2.87Å
764	C	27.5	Very low	31.9	Very low	95 Å²	95	138.7 Å²	138.7	64%	0.642	75%	0.747	S	S	*	*			trans	-162.1	166.9	164.2	-166	0	0	0	0	112.1	S813 S814	C764-S813 WeakPolarHBondContact O-CB 3.05Å; C764-S813 PolarHBondContact O-OG 3.44Å; C764-S813 VanDerWaalsContact O-OG 3.05Å; C764-S814 VanDerWaalsContact C-CB 3.41Å; C764-S814 VanDerWaalsContact C-OG 3.28Å; C764-S814 VanDerWaalsContact CA-CB 3.44Å; C764-S814 VanDerWaalsContact N-CB 3.34Å
765	S	31.9	Very low	32.3	Very low	83 Å²	83	139.1 Å²	139.1	58%	0.58	76%	0.757	S	S	*	*			trans	-157.2	153.3	-177.8	-175.3	0	0	0	0	114.8	S813 S814	S765-S813 WeakPolarHBondContact CB-O 3.32Å; S765-S814 VanDerWaalsContact CB-OG 3.24Å; S765-S814 WeakPolarHBondContact CB-OG 3.25Å; S765-S814 PolarHBondContact N-OG 3.38Å
766	S	35.9	Very low	32.5	Very low	104 Å²	104	135.2 Å²	135.2	73%	0.727	75%	0.749	S	S	*	*			trans	165.1	148.9	134.6	-164.9	0	0	0	0	116.3
767	D	34.8	Very low	32.7	Very low	144 Å²	144	140.8 Å²	140.8	77%	0.77	76%	0.76	S	S	*	*			trans	4.9	139.1	162.5	-73	-27.1	0	0	0	124.7
768	K	35.3	Very low	33	Very low	207 Å²	207	139.2 Å²	139.2	90%	0.9	75%	0.752	S	S	*	*				-174.9	158	102.9	-102.5	177.3	-176.8	178.9	0	115.8
769	N	31.4	Very low	33.4	Very low	161 Å²	161	139.2 Å²	139.2	86%	0.861	75%	0.747	S	S	*	*			trans	-98.3	126.4	175	-74.5	-51.1	0	0	0	112.8
770	E	34.6	Very low	33.6	Very low	181 Å²	181	141.3 Å²	141.3	85%	0.846	75%	0.747	S	S	*	*			trans	-168.6	137.4	159.1	-146.2	95.2	-129	0	0	104.7
771	L	31.9	Very low	33.8	Very low	163 Å²	163	141.6 Å²	141.6	85%	0.853	74%	0.743	S	S	*	*			cis	-142	161.4	28.1	-98.4	95.6	0	0	0	111.7
772	L	29.9	Very low	33.7	Very low	157 Å²	157	142.4 Å²	142.4	82%	0.822	74%	0.742	S	S	*	*			trans	-128.9	111.6	171.3	-164.6	171	0	0	0	111
773	K	36.6	Very low	33.6	Very low	181 Å²	181	147 Å²	147	79%	0.787	75%	0.745	S	S	*	*			trans	168.4	138.3	162.9	-87.2	141.8	-168.3	173.1	0	105.2
774	H	38.3	Very low	33.6	Very low	163 Å²	163	153 Å²	153	76%	0.755	76%	0.763	S	S	*	*				-154.5	151	57.7	-107.8	-90.7	0	0	0	113.7
775	L	36.2	Very low	33.6	Very low	171 Å²	171	154.2 Å²	154.2	90%	0.895	77%	0.771	S	S	*	*			trans	72.6	137.2	160.2	-61	170.1	0	0	0	118.7
776	N	31.7	Very low	33.8	Very low	119 Å²	119	155.4 Å²	155.4	64%	0.636	78%	0.777	S	S	*	*			trans	-150.5	147.1	-174.5	171.1	38.5	0	0	0	107.7	N778	N776-N778 PolarHBondContact ND2-OD1 3.3Å; N776-N778 PolarHBondContact OD1-OD1 3.33Å
777	M	35	Very low	33.4	Very low	181 Å²	181	157.6 Å²	157.6	89%	0.892	78%	0.78	S	S	*	*			trans	-139.7	125.4	155.2	-76.3	-152.7	73.2	0	0	111
778	N	35.8	Very low	33.3	Very low	117 Å²	117	160.5 Å²	160.5	63%	0.626	79%	0.786	S	S	*	*			trans	-78.5	-174.3	170.1	-51.2	-22.8	0	0	0	109.1	N776	N776-N778 PolarHBondContact ND2-OD1 3.3Å; N776-N778 PolarHBondContact OD1-OD1 3.33Å
779	N	36.2	Very low	33.2	Very low	120 Å²	120	154.2 Å²	154.2	64%	0.642	78%	0.779	S	S	*	*			cis	-162.3	165.2	16.6	-147.2	14.3	0	0	0	112.3
780	E	35.8	Very low	33.1	Very low	142 Å²	142	153.6 Å²	153.6	66%	0.664	78%	0.776	S	S	*	*			trans	65.8	153.4	154.6	-73.3	170.7	-113.1	0	0	119.1
781	Q	34.3	Very low	33.1	Very low	169 Å²	169	151.6 Å²	151.6	79%	0.79	77%	0.77	S	S	*	*			cis	-138.1	170.8	2.2	-136.8	173.7	68.7	0	0	112.4
782	Q	29.6	Very low	33.2	Very low	163 Å²	163	149.3 Å²	149.3	76%	0.762	76%	0.763	S	S	*	*			trans	-125.6	145.2	-158.9	171.4	-161.4	45.4	0	0	111.9
783	K	30.2	Very low	33.2	Very low	161 Å²	161	153.2 Å²	153.2	70%	0.7	77%	0.767	S	S	*	*			trans	151.1	151.6	154.4	-87.1	152.5	-166.8	164.8	0	111.8
784	W	32.4	Very low	33.1	Very low	231 Å²	231	149.1 Å²	149.1	88%	0.875	76%	0.761	S	S	*	*			cis	-143	171.1	-2.3	-94.4	116.4	0	0	0	109.5
785	C	26.8	Very low	32.9	Very low	120 Å²	120	150 Å²	150	81%	0.811	76%	0.763	S	S	*	*			trans	-120.5	-139.9	-173.1	-57	0	0	0	0	114.6
786	P	36.6	Very low	32.7	Very low	108 Å²	108	150.6 Å²	150.6	70%	0.701	76%	0.759	S	S	*	*				-137	-161.4	-113.6	43.2	-22.4	0	0	0	117.1
787	L	28.8	Very low	32.8	Very low	151 Å²	151	152.9 Å²	152.9	79%	0.791	76%	0.763	S	S	*	*			trans	74.6	123.9	152.2	-75.8	167.9	0	0	0	122.2
788	K	31.8	Very low	32.8	Very low	205 Å²	205	154.8 Å²	154.8	89%	0.891	76%	0.76	S	S	*	*				166	150	112.4	-93.8	164.1	-176	172.2	0	116.1
789	G	33.5	Very low	32.7	Very low	74 Å²	74	159 Å²	159	76%	0.763	77%	0.767	S	S	*	*			trans	98.4	95.1	154.5	0	0	0	0	0	116.7
790	N	30	Very low	32.5	Very low	148 Å²	148	162.4 Å²	162.4	79%	0.791	77%	0.771	S	S	*	*			cis	81.8	99.8	36.4	-165.2	25.9	0	0	0	115.5
791	L	34.5	Very low	32.3	Very low	139 Å²	139	162.8 Å²	162.8	73%	0.728	78%	0.777	S	S	*	*				-176.2	127.9	129.9	-123.4	70.6	0	0	0	115.6
792	T	33.9	Very low	32.2	Very low	116 Å²	116	160 Å²	160	71%	0.712	77%	0.766	S	S	*	*			trans	42.7	150	143.4	52	0	0	0	0	124.3
793	R	30	Very low	32.4	Very low	238 Å²	238	157.5 Å²	157.5	90%	0.898	76%	0.764	S	S	*	*			cis	153	117.3	-22.1	166.2	-169.5	-177.8	-165.4	3.1	109.3
794	S	33.5	Very low	32.4	Very low	95 Å²	95	154.7 Å²	154.7	66%	0.664	76%	0.761	S	S	*	*			trans	-167	105.2	153.3	-179.1	0	0	0	0	116.2
795	K	34.8	Very low	32.3	Very low	182 Å²	182	150.5 Å²	150.5	79%	0.791	76%	0.76	S	S	*	*			trans	58.2	137	142.4	-54.8	167.1	-171.4	169.9	0	118
796	F	31.6	Very low	32.4	Very low	183 Å²	183	147.9 Å²	147.9	80%	0.803	75%	0.753	S	S	*	*			cis	-155.5	-159.6	14.7	-129.3	161.2	0	0	0	108.6
797	K	34	Very low	31.9	Very low	167 Å²	167	153.5 Å²	153.5	73%	0.726	76%	0.762	S	S	*	*			cis	-142.9	-10	3.2	-149.2	175	-179.9	-179.7	0	116.2
798	R	34.1	Very low	32	Very low	221 Å²	221	151.7 Å²	151.7	83%	0.834	76%	0.76	S	S	*	*			trans	85.2	162.9	-172.9	-49.7	158.2	166.4	-178.3	-6	114
799	R	33.6	Very low	31.9	Very low	206 Å²	206	151.5 Å²	151.5	78%	0.777	76%	0.762	S	S	*	*			cis	-141.6	138.3	23.7	-60.6	177.9	179.5	-148.5	1.5	111.2
800	R	32.3	Very low	31.5	Very low	192 Å²	192	159 Å²	159	73%	0.725	77%	0.767	S	S	*	*				60.9	138	97.9	-61.9	-159.5	-85.2	-174.3	-5	115.7
801	L	32.3	Very low	31.5	Very low	150 Å²	150	159.9 Å²	159.9	79%	0.785	77%	0.771	S	S	*	*			cis	-157.7	172.2	-0.1	-118.9	171.2	0	0	0	111.8
802	I	32.2	Very low	31.2	Very low	110 Å²	110	159.8 Å²	159.8	56%	0.564	77%	0.771	S	S	*	*			trans	-139.8	136.5	-166.2	-76.5	174.3	0	0	0	106.9	E397	E397-I802 WeakPolarHBondContact OE2-CG1 3.32Å; E397-I802 WeakPolarHBondContact OE2-CG2 3.32Å
803	P	34.4	Very low	31.1	Very low	111 Å²	111	156.8 Å²	156.8	72%	0.721	76%	0.755	S	S	*	*				-157.3	146.3	83	40.6	-19.3	0	0	0	120.5
804	T	28.6	Very low	31.3	Very low	101 Å²	101	148.5 Å²	148.5	62%	0.62	73%	0.733	S	S	*	*				39.2	131.4	114.7	-34.6	0	0	0	0	123.2	E397	E397-T804 PolarHBondContact OE1-N 2.88Å; E397-T804 VanDerWaalsContact OE1-N 3.16Å; E397-T804 PolarHBondContact OE1-OG1 2.98Å
805	V	30.6	Very low	31.5	Very low	144 Å²	144	147.9 Å²	147.9	87%	0.873	72%	0.723	S	S	*	*			trans	164.5	146.7	142.7	149.8	0	0	0	0	107.3
806	G	29.9	Very low	31.4	Very low	64 Å²	64	145.8 Å²	145.8	66%	0.66	72%	0.72	S	S	*	*			cis	143	103.2	1.9	0	0	0	0	0	110
807	Y	26	Very low	31.6	Very low	227 Å²	227	141.1 Å²	141.1	89%	0.89	72%	0.715	S	S	*	*			trans	-73.7	138.1	-171.7	-108.4	-83.5	0	0	0	114.2
808	P	31.4	Very low	31.7	Very low	113 Å²	113	138.1 Å²	138.1	73%	0.734	72%	0.715	S	S	*	*			trans	-117	168.3	157.6	37.3	-26.7	0	0	0	113.1
809	Q	29.5	Very low	31.6	Very low	201 Å²	201	136.7 Å²	136.7	94%	0.939	72%	0.715	S	S	*	*			trans	-88.8	164.1	-177.4	-73	176.7	-77.9	0	0	114.4
810	R	25.5	Very low	31.7	Very low	232 Å²	232	132.5 Å²	132.5	88%	0.875	71%	0.708	S	S	*	*			trans	-70	133.6	178	179.8	-162.6	-59.2	-173	0.3	112.8
811	L	28.3	Very low	31.9	Very low	166 Å²	166	128.6 Å²	128.6	87%	0.869	71%	0.71	S	S	*	*			trans	-155.6	167.3	149.1	-110.9	169.2	0	0	0	110.7
812	N	29.4	Very low	32.1	Very low	136 Å²	136	129.6 Å²	129.6	73%	0.727	71%	0.709	S	S	*	*			trans	-92.7	160.2	-165.7	-74	-18	0	0	0	114.9
813	S	31.6	Very low	32.3	Very low	54 Å²	54	133.6 Å²	133.6	38%	0.378	72%	0.722	S	S	.	*			trans	60.6	123.5	156.6	53.1	0	0	0	0	118	C764 S765	C764-S813 WeakPolarHBondContact O-CB 3.05Å; C764-S813 PolarHBondContact O-OG 3.44Å; C764-S813 VanDerWaalsContact O-OG 3.05Å; S765-S813 WeakPolarHBondContact CB-O 3.32Å
814	S	34.6	Very low	32.3	Very low	63 Å²	63	132.8 Å²	132.8	44%	0.441	72%	0.719	S	S	.	*			cis	-177.2	-174	44.7	67.5	0	0	0	0	111.8	C764 S765	C764-S814 VanDerWaalsContact C-CB 3.41Å; C764-S814 VanDerWaalsContact C-OG 3.28Å; C764-S814 VanDerWaalsContact CA-CB 3.44Å; C764-S814 VanDerWaalsContact N-CB 3.34Å; S765-S814 VanDerWaalsContact CB-OG 3.24Å; S765-S814 WeakPolarHBondContact CB-OG 3.25Å; S765-S814 PolarHBondContact N-OG 3.38Å
815	N	36.8	Very low	32.6	Very low	83 Å²	83	133.1 Å²	133.1	44%	0.444	72%	0.721	S	S	.	*			cis	-159.7	174.2	0.2	-148.1	13.3	0	0	0	115.5	H763	H763-N815 PolarHBondContact O-OD1 2.87Å
816	D	33.7	Very low	32.7	Very low	137 Å²	137	135.2 Å²	135.2	73%	0.733	72%	0.721	S	S	*	*			trans	56.6	132.5	145.8	-94.2	-33.7	0	0	0	126.5
817	A	35.5	Very low	32.9	Very low	85 Å²	85	136 Å²	136	70%	0.702	73%	0.729	S	S	*	*			trans	82.5	102.1	135.6	0	0	0	0	0	125.3
818	S	35.2	Very low	33.3	Very low	104 Å²	104	130.2 Å²	130.2	73%	0.727	72%	0.722	S	S	*	*				71.9	145.1	129.7	-120.3	0	0	0	0	120.9
819	F	32.5	Very low	33.4	Very low	191 Å²	191	132.6 Å²	132.6	84%	0.838	73%	0.729	S	S	*	*			cis	-148.7	-179.2	39.2	-145.6	-96.8	0	0	0	115.6
820	N	35.1	Very low	33.6	Very low	118 Å²	118	127.1 Å²	127.1	63%	0.631	73%	0.726	S	S	*	*			trans	-84	168	-160.9	-82.2	-85.2	0	0	0	120.1
821	S	37.5	Very low	34	Very low	110 Å²	110	120 Å²	120	77%	0.769	73%	0.725	S	S	*	*				131.3	140	123.8	-160.4	0	0	0	0	116.3
822	K	36.5	Very low	34.3	Very low	172 Å²	172	116.4 Å²	116.4	75%	0.748	72%	0.719	S	S	*	*			cis	-172.9	154.8	-27.5	-114.8	170.5	179.2	170.9	0	111.9
823	K	35.2	Very low	34.5	Very low	194 Å²	194	116.1 Å²	116.1	84%	0.843	72%	0.723	S	S	*	*			trans	65.1	163.7	160	-73.1	-175.2	172.1	-172.9	0	119.3
824	S	34.5	Very low	34.7	Very low	94 Å²	94	120.6 Å²	120.6	66%	0.657	75%	0.747	S	S	*	*			cis	-177.8	179.8	-40.6	62.2	0	0	0	0	108.6
825	T	35.3	Very low	34.8	Very low	107 Å²	107	122.5 Å²	122.5	66%	0.656	77%	0.767	S	S	*	*			cis	-166.8	155.2	10.6	-14.2	0	0	0	0	112.8
826	Q	32.5	Very low	34.6	Very low	188 Å²	188	124.3 Å²	124.3	88%	0.879	79%	0.786	S	S	*	*			trans	64.2	124.5	144	-88.8	169.1	-35.9	0	0	127.4
827	G	35.3	Very low	34.8	Very low	81 Å²	81	121.7 Å²	121.7	84%	0.835	78%	0.784	S	S	*	*				96.2	154.3	129.1	0	0	0	0	0	121.3
828	S	33.9	Very low	34.8	Very low	106 Å²	106	123.4 Å²	123.4	74%	0.741	79%	0.79	S	S	*	*			cis	-172.4	137.1	-18.9	-162.4	0	0	0	0	114.9
829	N	32.8	Very low	35	Very low	163 Å²	163	123.4 Å²	123.4	87%	0.872	80%	0.797	S	S	*	*			trans	59.8	141.3	148.9	-62.4	-2.1	0	0	0	127.3
830	G	34.6	Very low	35.3	Very low	86 Å²	86	122.3 Å²	122.3	89%	0.887	80%	0.798	S	S	*	*			trans	89.1	154.3	156.7	0	0	0	0	0	117.9
831	G	33.4	Very low	35.4	Very low	82 Å²	82	121.7 Å²	121.7	85%	0.845	80%	0.801	S	S	*	*			cis	140.3	145.8	-5.3	0	0	0	0	0	112.6
832	A	34.3	Very low	35.3	Very low	91 Å²	91	124.3 Å²	124.3	75%	0.752	81%	0.805	S	S	*	*			cis	-167.7	-180	-12.8	0	0	0	0	0	112.8
833	T	34.7	Very low	35.3	Very low	130 Å²	130	123.6 Å²	123.6	80%	0.798	81%	0.809	S	S	*	*			trans	60	108.2	158.9	53.7	0	0	0	0	125.2
834	V	34.6	Very low	35.4	Very low	147 Å²	147	120.4 Å²	120.4	89%	0.891	81%	0.808	S	S	*	*				38.8	125.6	119.6	-177.4	0	0	0	0	122.7
835	A	36.4	Very low	35.4	Very low	104 Å²	104	119.6 Å²	119.6	86%	0.86	82%	0.815	S	S	*	*				-179.3	163.9	129.1	0	0	0	0	0	113.6
836	S	33.9	Very low	35.4	Very low	121 Å²	121	120.6 Å²	120.6	85%	0.846	83%	0.826	S	S	*	*			trans	-121.8	154.1	-172.6	179.1	0	0	0	0	113.2
837	A	37.2	Very low	35.6	Very low	82 Å²	82	116.4 Å²	116.4	68%	0.678	82%	0.818	S	S	*	*				157.3	128.3	124.8	0	0	0	0	0	117
838	S	35.9	Very low	35.8	Very low	121 Å²	121	118.8 Å²	118.8	85%	0.846	82%	0.816	S	S	*	*			trans	60.1	143.8	132.5	-57.4	0	0	0	0	126
839	A	38.7	Very low	35.8	Very low	104 Å²	104	119.6 Å²	119.6	86%	0.86	82%	0.822	S	S	*	*			trans	99.1	140.3	147.1	0	0	0	0	0	121.8
840	L	38.7	Very low	36.3	Very low	167 Å²	167	116.5 Å²	116.5	87%	0.874	82%	0.819	S	S	*	*			trans	-102.1	177.8	172.9	-77	169.3	0	0	0	108.5
841	P	38.5	Very low	36.5	Very low	106 Å²	106	122.3 Å²	122.3	69%	0.688	82%	0.82	S	S	*	*			cis	-157.2	179.1	31.4	45.6	-23.1	0	0	0	121.4
842	L	34.8	Very low	37.2	Very low	164 Å²	164	122.8 Å²	122.8	86%	0.859	80%	0.8	S	S	*	*			trans	74.8	158.6	144	-81.8	161.6	0	0	0	123.6
843	L	35.4	Very low	38.5	Very low	158 Å²	158	120.8 Å²	120.8	83%	0.827	78%	0.78	S	S	*	*			trans	-107.5	-170.4	-174.2	-87.6	85.4	0	0	0	110.3
844	P	38.5	Very low	39.8	Very low	126 Å²	126	120.2 Å²	120.2	82%	0.818	78%	0.776	S	S	*	*			cis	-134	-178.2	-1.2	38.5	-19.6	0	0	0	116
845	G	34.7	Very low	41.5	Very low	78 Å²	78	121.5 Å²	121.5	80%	0.804	77%	0.77	S	S	*	*			trans	166.3	105.2	156.4	0	0	0	0	0	117.6
846	S	35.6	Very low	43.1	Very low	128 Å²	128	120.5 Å²	120.5	90%	0.895	75%	0.749	S	S	*	*			trans	-165.4	150.2	157.4	-171.9	0	0	0	0	110
847	S	36	Very low	44.6	Very low	99 Å²	99	121.3 Å²	121.3	69%	0.692	73%	0.734	S	S	*	*			trans	-140.5	171.2	-170.7	66.2	0	0	0	0	113.8
848	T	40.3	Very low	46.2	Very low	132 Å²	132	121.9 Å²	121.9	81%	0.81	73%	0.725	S	S	*	*			trans	79.9	92	174.2	69.6	0	0	0	0	118.9
849	S	33	Very low	48	Very low	122 Å²	122	120 Å²	120	85%	0.853	71%	0.705	S	S	*	*				39.2	101.5	128.7	-179.9	0	0	0	0	120.7
850	A	42.6	Very low	49.7	Very low	98 Å²	98	118.9 Å²	118.9	81%	0.81	69%	0.685	S	S	*	*			trans	-143.6	127.4	136.8	0	0	0	0	0	110.5	E852	A850-E852 PolarHBondContact O-N 2.74Å; A850-E852 VanDerWaalsContact O-N 3.1Å
851	K	40	Very low	51.3	Low	208 Å²	208	119 Å²	119	90%	0.904	67%	0.674	S	S	*	*			trans	-77.9	91.2	171.9	-74.4	179.5	180	173.4	0	109.2	S853	K851-S853 PolarHBondContact O-N 3.46Å
852	E	47.1	Very low	53.1	Low	93 Å²	93	117.4 Å²	117.4	44%	0.435	66%	0.659	S	S	.	*			trans	-55.8	114.6	165.8	-172	-160.2	-133	0	0	108.4	A850 I856 R857	A850-E852 PolarHBondContact O-N 2.74Å; A850-E852 VanDerWaalsContact O-N 3.1Å; E852-I856 HydrophobicContact CG-CB 4.08Å; E852-I856 HydrophobicContact CG-CG2 3.84Å; E852-R857 IonicContact OE2-CZ 3.6Å; E852-R857 VanDerWaalsContact OE2-CZ 3.26Å; E852-R857 IonicContact OE2-NE 2.59Å; E852-R857 PolarHBondContact OE2-NE 3.04Å; E852-R857 IonicContact OE2-NH2 2.88Å; E852-R857 PolarHBondContact OE2-NH2 3.26Å
853	S	62.1	Low	54.9	Low	49 Å²	49	114.9 Å²	114.9	34%	0.343	64%	0.641	S	S	.	*			trans	-72.4	154.6	-167.2	78.1	0	0	0	0	111.8	K851 F855 I856 R857	K851-S853 PolarHBondContact O-N 3.46Å; S853-F855 PolarHBondContact O-N 3.29Å; S853-F855 VanDerWaalsContact O-N 3.15Å; S853-F855 PolarHBondContact OG-N 3.38Å; S853-I856 PolarHBondContact O-N 3.4Å; S853-I856 PolarHBondContact OG-N 2.9Å; S853-R857 PolarHBondContact O-N 2.9Å; S853-R857 VanDerWaalsContact O-N 3.13Å
854	V	62.4	Low	56.4	Low	117 Å²	117	113.6 Å²	113.6	71%	0.709	63%	0.631	S	S	*	*	H	α-helix	trans	-55.4	-33.4	174.5	-178.3	0	0	0	0	110.8	R857 L858	V854-R857 PolarHBondContact O-N 2.8Å; V854-L858 WeakPolarHBondContact O-CB 3.31Å; V854-L858 PolarHBondContact O-N 3.13Å
855	F	70.3	Confident	57.6	Low	175 Å²	175	112.6 Å²	112.6	77%	0.768	62%	0.618	S	S	*	*	H	α-helix	trans	-63.4	-41.5	173.4	-85.7	-86.6	0	0	0	113.8	S853 L858 N859	S853-F855 PolarHBondContact O-N 3.29Å; S853-F855 VanDerWaalsContact O-N 3.15Å; S853-F855 PolarHBondContact OG-N 3.38Å; F855-L858 PolarHBondContact O-N 2.98Å; F855-N859 WeakPolarHBondContact O-CB 3.49Å; F855-N859 PolarHBondContact O-N 2.99Å
856	I	69.1	Low	59.2	Low	82 Å²	82	114.6 Å²	114.6	42%	0.421	61%	0.607	S	S	.	*	H	α-helix	trans	-66.4	-45.3	177.2	-68.1	170.4	0	0	0	110	E852 S853 L858 N859 N860	E852-I856 HydrophobicContact CG-CB 4.08Å; E852-I856 HydrophobicContact CG-CG2 3.84Å; S853-I856 PolarHBondContact O-N 3.4Å; S853-I856 PolarHBondContact OG-N 2.9Å; I856-L858 VanDerWaalsContact C-N 3.3Å; I856-L858 PolarHBondContact O-N 2.65Å; I856-N859 PolarHBondContact O-N 3.22Å; I856-N860 WeakPolarHBondContact O-CB 3.46Å; I856-N860 PolarHBondContact O-N 2.97Å
857	R	66.2	Low	60.8	Low	139 Å²	139	112.8 Å²	112.8	53%	0.525	59%	0.586	S	S	.	*	H	α-helix	trans	-67	-30.8	178.7	-158	171.8	-61	146.9	9.4	112.9	E852 S853 V854 R861	E852-R857 IonicContact OE2-CZ 3.6Å; E852-R857 VanDerWaalsContact OE2-CZ 3.26Å; E852-R857 IonicContact OE2-NE 2.59Å; E852-R857 PolarHBondContact OE2-NE 3.04Å; E852-R857 IonicContact OE2-NH2 2.88Å; E852-R857 PolarHBondContact OE2-NH2 3.26Å; S853-R857 PolarHBondContact O-N 2.9Å; S853-R857 VanDerWaalsContact O-N 3.13Å; V854-R857 PolarHBondContact O-N 2.8Å; R857-R861 PolarHBondContact O-N 3.41Å
858	L	70.2	Confident	62.2	Low	94 Å²	94	112.3 Å²	112.3	49%	0.492	58%	0.576	S	S	.	*	H	α-helix	trans	-73.2	-44	172	-165.3	75	0	0	0	111.6	V854 F855 I856 N860 R861 I862	V854-L858 WeakPolarHBondContact O-CB 3.31Å; V854-L858 PolarHBondContact O-N 3.13Å; F855-L858 PolarHBondContact O-N 2.98Å; I856-L858 VanDerWaalsContact C-N 3.3Å; I856-L858 PolarHBondContact O-N 2.65Å; L858-N860 PolarHBondContact O-N 3.08Å; L858-R861 CarbonylContact O-C 3.48Å; L858-R861 WeakPolarHBondContact O-CB 3.13Å; L858-R861 PolarHBondContact O-N 2.68Å; L858-R861 VanDerWaalsContact O-N 3.15Å; L858-I862 HydrophobicContact CD2-CD1 4.33Å; L858-I862 HydrophobicContact CG-CD1 4.02Å; L858-I862 VanDerWaalsContact O-CG1 3.31Å; L858-I862 WeakPolarHBondContact O-CG1 3.39Å; L858-I862 PolarHBondContact O-N 2.85Å
859	N	73.9	Confident	63.8	Low	80 Å²	80	111.7 Å²	111.7	43%	0.428	57%	0.566	S	S	.	*	H	α-helix	trans	-61.7	-44.1	177.6	-171.5	-5.9	0	0	0	111.4	F855 I856 R861 I862 K863	F855-N859 WeakPolarHBondContact O-CB 3.49Å; F855-N859 PolarHBondContact O-N 2.99Å; I856-N859 PolarHBondContact O-N 3.22Å; N859-R861 VanDerWaalsContact C-N 3.3Å; N859-R861 PolarHBondContact O-N 3.37Å; N859-I862 PolarHBondContact O-N 3.39Å; N859-K863 WeakPolarHBondContact O-CG 3.49Å; N859-K863 PolarHBondContact O-N 2.93Å; N859-K863 WeakPolarHBondContact OD1-CE 3.43Å
860	N	73.7	Confident	65.9	Low	81 Å²	81	108.2 Å²	108.2	43%	0.433	54%	0.542	S	S	.	.	H	α-helix	trans	-63.1	-35.5	174.5	-70.7	-14.3	0	0	0	112.3	I856 L858 Q864	I856-N860 WeakPolarHBondContact O-CB 3.46Å; I856-N860 PolarHBondContact O-N 2.97Å; L858-N860 PolarHBondContact O-N 3.08Å; N860-Q864 WeakPolarHBondContact O-CG 3.36Å; N860-Q864 PolarHBondContact O-N 3.23Å; N860-Q864 VanDerWaalsContact O-N 3.13Å
861	R	72.8	Confident	67.5	Low	170 Å²	170	103.9 Å²	103.9	64%	0.642	51%	0.505	S	S	*	.	H	α-helix	trans	-69.3	-39.8	171.1	-84	-177.5	164.5	-168.5	-5.2	113.2	R857 L858 N859 Q864 L865	R857-R861 PolarHBondContact O-N 3.41Å; L858-R861 CarbonylContact O-C 3.48Å; L858-R861 WeakPolarHBondContact O-CB 3.13Å; L858-R861 PolarHBondContact O-N 2.68Å; L858-R861 VanDerWaalsContact O-N 3.15Å; N859-R861 VanDerWaalsContact C-N 3.3Å; N859-R861 PolarHBondContact O-N 3.37Å; R861-Q864 PolarHBondContact O-N 3.38Å; R861-L865 WeakPolarHBondContact O-CB 3.3Å; R861-L865 VanDerWaalsContact O-CG 3.31Å; R861-L865 WeakPolarHBondContact O-CG 3.11Å; R861-L865 PolarHBondContact O-N 2.88Å
862	I	76.3	Confident	69.3	Low	73 Å²	73	96.1 Å²	96.1	37%	0.374	48%	0.477	S	S	.	.	H	α-helix	trans	-61.1	-48.3	175.9	-72.1	163.3	0	0	0	109.5	L858 N859 Q864 L865 E866	L858-I862 HydrophobicContact CD2-CD1 4.33Å; L858-I862 HydrophobicContact CG-CD1 4.02Å; L858-I862 VanDerWaalsContact O-CG1 3.31Å; L858-I862 WeakPolarHBondContact O-CG1 3.39Å; L858-I862 PolarHBondContact O-N 2.85Å; N859-I862 PolarHBondContact O-N 3.39Å; I862-Q864 VanDerWaalsContact C-N 3.34Å; I862-Q864 PolarHBondContact O-N 2.85Å; I862-L865 CarbonylContact O-C 3.57Å; I862-L865 WeakPolarHBondContact O-CA 3.27Å; I862-L865 WeakPolarHBondContact O-CB 3.06Å; I862-L865 PolarHBondContact O-N 2.88Å; I862-E866 HydrophobicContact CG2-CG 4.25Å; I862-E866 WeakPolarHBondContact O-CG 3.16Å; I862-E866 PolarHBondContact O-N 3.49Å
863	K	72.4	Confident	70.7	Confident	111 Å²	111	94.7 Å²	94.7	48%	0.483	48%	0.477	S	S	.	.	H	α-helix	trans	-59	-40.6	175.4	-70.8	-179.6	177.5	-174.2	0	113.1	N859 I867	N859-K863 WeakPolarHBondContact O-CG 3.49Å; N859-K863 PolarHBondContact O-N 2.93Å; N859-K863 WeakPolarHBondContact OD1-CE 3.43Å; K863-I867 WeakPolarHBondContact O-CB 3.39Å; K863-I867 WeakPolarHBondContact O-CD1 3.4Å; K863-I867 WeakPolarHBondContact O-CG1 3.34Å; K863-I867 PolarHBondContact O-N 3.43Å
864	Q	66.3	Low	71.7	Confident	130 Å²	130	97 Å²	97	61%	0.607	48%	0.482	S	S	*	.	H	α-helix	trans	-65.7	-35.8	173.6	-76.8	-176.1	-32.6	0	0	112.8	N860 R861 I862 N868	N860-Q864 WeakPolarHBondContact O-CG 3.36Å; N860-Q864 PolarHBondContact O-N 3.23Å; N860-Q864 VanDerWaalsContact O-N 3.13Å; R861-Q864 PolarHBondContact O-N 3.38Å; I862-Q864 VanDerWaalsContact C-N 3.34Å; I862-Q864 PolarHBondContact O-N 2.85Å; Q864-N868 PolarHBondContact O-N 3.4Å
865	L	63.8	Low	72.6	Confident	106 Å²	106	93.4 Å²	93.4	56%	0.555	46%	0.456	S	S	*	.	H	α-helix	trans	-72.2	-40.1	176.2	-72.7	165.8	0	0	0	112.3	R861 I862 N868 I869	R861-L865 WeakPolarHBondContact O-CB 3.3Å; R861-L865 VanDerWaalsContact O-CG 3.31Å; R861-L865 WeakPolarHBondContact O-CG 3.11Å; R861-L865 PolarHBondContact O-N 2.88Å; I862-L865 CarbonylContact O-C 3.57Å; I862-L865 WeakPolarHBondContact O-CA 3.27Å; I862-L865 WeakPolarHBondContact O-CB 3.06Å; I862-L865 PolarHBondContact O-N 2.88Å; L865-N868 PolarHBondContact O-N 3.02Å; L865-I869 WeakPolarHBondContact O-CB 3.44Å; L865-I869 WeakPolarHBondContact O-CG1 3.3Å; L865-I869 PolarHBondContact O-N 3.47Å
866	E	70.2	Confident	73	Confident	120 Å²	120	90.2 Å²	90.2	56%	0.561	45%	0.447	S	S	*	.	H	α-helix	trans	-60.1	-44.7	172.4	-72.3	171.2	161.6	0	0	111	I862 I869 S870	I862-E866 HydrophobicContact CG2-CG 4.25Å; I862-E866 WeakPolarHBondContact O-CG 3.16Å; I862-E866 PolarHBondContact O-N 3.49Å; E866-I869 PolarHBondContact O-N 2.9Å; E866-S870 WeakPolarHBondContact O-CB 3.46Å; E866-S870 PolarHBondContact O-N 3.08Å
867	I	68.6	Low	73.6	Confident	90 Å²	90	89.1 Å²	89.1	46%	0.462	45%	0.446	S	S	.	.	H	α-helix	trans	-60.3	-49.8	174.5	-72.4	166.6	0	0	0	110.7	K863 I869 S870 L871	K863-I867 WeakPolarHBondContact O-CB 3.39Å; K863-I867 WeakPolarHBondContact O-CD1 3.4Å; K863-I867 WeakPolarHBondContact O-CG1 3.34Å; K863-I867 PolarHBondContact O-N 3.43Å; I867-I869 PolarHBondContact O-N 2.98Å; I867-S870 PolarHBondContact O-N 2.84Å; I867-S870 PolarHBondContact O-OG 2.95Å; I867-L871 HydrophobicContact CG2-CD1 3.69Å; I867-L871 WeakPolarHBondContact O-CG 3.46Å; I867-L871 PolarHBondContact O-N 3.27Å
868	N	64.4	Low	74.3	Confident	89 Å²	89	85.9 Å²	85.9	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-36.2	178.5	-80.9	0.1	0	0	0	113.7	Q864 L865 S872	Q864-N868 PolarHBondContact O-N 3.4Å; L865-N868 PolarHBondContact O-N 3.02Å; N868-S872 WeakPolarHBondContact O-CB 3.45Å; N868-S872 PolarHBondContact O-N 2.98Å; N868-S872 PolarHBondContact O-OG 2.94Å
869	I	74.7	Confident	74.7	Confident	118 Å²	118	84.3 Å²	84.3	61%	0.605	43%	0.429	S	S	*	.	H	α-helix	trans	-67.2	-41.2	173.9	-74.2	171.5	0	0	0	110.4	L865 E866 I867 S872 S873	L865-I869 WeakPolarHBondContact O-CB 3.44Å; L865-I869 WeakPolarHBondContact O-CG1 3.3Å; L865-I869 PolarHBondContact O-N 3.47Å; E866-I869 PolarHBondContact O-N 2.9Å; I867-I869 PolarHBondContact O-N 2.98Å; I869-S872 WeakPolarHBondContact CA-OG 3.37Å; I869-S872 PolarHBondContact O-OG 3.29Å; I869-S872 VanDerWaalsContact O-OG 3.14Å; I869-S873 WeakPolarHBondContact O-CB 3.3Å; I869-S873 PolarHBondContact O-N 3.35Å; I869-S873 PolarHBondContact O-OG 2.8Å
870	S	77.6	Confident	74.9	Confident	49 Å²	49	83.9 Å²	83.9	34%	0.343	43%	0.433	S	S	.	.	H	α-helix	trans	-63.5	-46.5	176.3	77.1	0	0	0	0	111.9	E866 I867 S873 Q874	E866-S870 WeakPolarHBondContact O-CB 3.46Å; E866-S870 PolarHBondContact O-N 3.08Å; I867-S870 PolarHBondContact O-N 2.84Å; I867-S870 PolarHBondContact O-OG 2.95Å; S870-S873 PolarHBondContact O-N 3.33Å; S870-S873 PolarHBondContact O-OG 3.49Å; S870-Q874 WeakPolarHBondContact O-CG 3.34Å; S870-Q874 PolarHBondContact O-N 3.22Å
871	L	75.9	Confident	75.2	Confident	8 Å²	8	87.4 Å²	87.4	4%	0.042	44%	0.44	C	S	.	.	H	α-helix	trans	-63.1	-45.7	179.3	-75.1	162.5	0	0	0	112.1	F414 W417 T418 K421 I867 S873 Q874 Y875	F414-L871 HydrophobicContact CE2-CB 4.48Å; F414-L871 HydrophobicContact CZ-CB 4.37Å; W417-L871 HydrophobicContact CH2-CD2 4.31Å; W417-L871 HydrophobicContact CZ3-CB 4.23Å; W417-L871 HydrophobicContact CZ3-CD2 3.84Å; W417-L871 VanDerWaalsContact CZ3-O 3.32Å; W417-L871 WeakPolarHBondContact CZ3-O 3.32Å; T418-L871 HydrophobicContact CG2-CD1 4.08Å; K421-L871 HydrophobicContact CB-CD2 4.41Å; I867-L871 HydrophobicContact CG2-CD1 3.69Å; I867-L871 WeakPolarHBondContact O-CG 3.46Å; I867-L871 PolarHBondContact O-N 3.27Å; L871-S873 VanDerWaalsContact C-N 3.35Å; L871-S873 PolarHBondContact O-N 3.4Å; L871-Q874 PolarHBondContact O-N 3.19Å; L871-Y875 WeakPolarHBondContact O-CB 3.29Å; L871-Y875 PolarHBondContact O-N 2.92Å
872	S	76.5	Confident	75.4	Confident	45 Å²	45	81.6 Å²	81.6	32%	0.315	42%	0.423	S	S	.	.	H	α-helix	trans	-64.8	-35.9	176.9	51.3	0	0	0	0	112.9	N868 I869 L876	N868-S872 WeakPolarHBondContact O-CB 3.45Å; N868-S872 PolarHBondContact O-N 2.98Å; N868-S872 PolarHBondContact O-OG 2.94Å; I869-S872 WeakPolarHBondContact CA-OG 3.37Å; I869-S872 PolarHBondContact O-OG 3.29Å; I869-S872 VanDerWaalsContact O-OG 3.14Å; S872-L876 WeakPolarHBondContact O-CG 3.44Å; S872-L876 PolarHBondContact O-N 3.13Å
873	S	78.4	Confident	75.2	Confident	63 Å²	63	85.6 Å²	85.6	44%	0.441	44%	0.435	S	S	.	.	H	α-helix	trans	-66.5	-36.1	173.6	77.6	0	0	0	0	113.2	I869 S870 L871 S877	I869-S873 WeakPolarHBondContact O-CB 3.3Å; I869-S873 PolarHBondContact O-N 3.35Å; I869-S873 PolarHBondContact O-OG 2.8Å; S870-S873 PolarHBondContact O-N 3.33Å; S870-S873 PolarHBondContact O-OG 3.49Å; L871-S873 VanDerWaalsContact C-N 3.35Å; L871-S873 PolarHBondContact O-N 3.4Å; S873-S877 WeakPolarHBondContact O-CB 3.27Å; S873-S877 PolarHBondContact O-N 3.4Å; S873-S877 VanDerWaalsContact O-N 3.15Å; S873-S877 PolarHBondContact O-OG 3.48Å
874	Q	82.1	Confident	75.6	Confident	96 Å²	96	85.9 Å²	85.9	45%	0.449	44%	0.436	S	S	.	.	H	α-helix	trans	-71	-45.6	175.5	-73.6	178.5	16.3	0	0	111.4	W417 S870 L871 L876 S877 E878	W417-Q874 HydrophobicContact CH2-CB 3.53Å; W417-Q874 HydrophobicContact CZ2-CB 4.07Å; S870-Q874 WeakPolarHBondContact O-CG 3.34Å; S870-Q874 PolarHBondContact O-N 3.22Å; L871-Q874 PolarHBondContact O-N 3.19Å; Q874-L876 PolarHBondContact O-N 3.47Å; Q874-S877 WeakPolarHBondContact O-CA 3.41Å; Q874-S877 WeakPolarHBondContact O-CB 3.32Å; Q874-S877 PolarHBondContact O-N 2.81Å; Q874-S877 VanDerWaalsContact O-N 3.11Å; Q874-E878 PolarHBondContact O-N 2.98Å
875	Y	81.5	Confident	76.2	Confident	42 Å²	42	87.8 Å²	87.8	17%	0.165	44%	0.437	C	S	.	.	H	α-helix	trans	-56.5	-48.6	175.3	174.6	-105.1	0	0	0	112	Q412 F414 W417 L871 S877 E878 L879	Q412-Y875 PolarHBondContact O-OH 3.44Å; Q412-Y875 VanDerWaalsContact O-OH 3.05Å; F414-Y875 HydrophobicContact CB-CD1 4.41Å; F414-Y875 HydrophobicContact CB-CE1 4.19Å; F414-Y875 AromaticContact CD2-CD1 3.75Å; F414-Y875 HydrophobicContact CD2-CD1 3.75Å; F414-Y875 HydrophobicContact CD2-CD2 4.23Å; F414-Y875 HydrophobicContact CD2-CE1 4.37Å; F414-Y875 AromaticContact CD2-CG 3.67Å; F414-Y875 HydrophobicContact CD2-CG 3.67Å; F414-Y875 HydrophobicContact CE2-CG 4.36Å; F414-Y875 HydrophobicContact CG-CD1 4.5Å; W417-Y875 HydrophobicContact CB-CD2 3.84Å; W417-Y875 HydrophobicContact CB-CE2 4.05Å; W417-Y875 AromaticContact CD2-CD2 3.74Å; W417-Y875 HydrophobicContact CD2-CD2 3.74Å; W417-Y875 HydrophobicContact CD2-CG 4.39Å; W417-Y875 HydrophobicContact CE3-CD2 4.11Å; W417-Y875 HydrophobicContact CE3-CG 4.39Å; W417-Y875 AromaticContact CG-CD2 3.62Å; W417-Y875 HydrophobicContact CG-CD2 3.62Å; W417-Y875 HydrophobicContact CG-CE2 4.23Å; L871-Y875 WeakPolarHBondContact O-CB 3.29Å; L871-Y875 PolarHBondContact O-N 2.92Å; Y875-S877 VanDerWaalsContact C-N 3.28Å; Y875-S877 PolarHBondContact O-N 2.83Å; Y875-E878 PolarHBondContact O-N 2.9Å; Y875-L879 VanDerWaalsContact O-CB 3.28Å; Y875-L879 WeakPolarHBondContact O-CB 3.33Å; Y875-L879 PolarHBondContact O-N 2.79Å
876	L	79.3	Confident	76.7	Confident	108 Å²	108	85.6 Å²	85.6	57%	0.565	43%	0.425	S	S	*	.	H	α-helix	trans	-62.3	-35.6	176.5	-70.3	172.6	0	0	0	112.4	S872 Q874 S880	S872-L876 WeakPolarHBondContact O-CG 3.44Å; S872-L876 PolarHBondContact O-N 3.13Å; Q874-L876 PolarHBondContact O-N 3.47Å; L876-S880 WeakPolarHBondContact O-CB 3.26Å; L876-S880 PolarHBondContact O-N 2.87Å
877	S	80.2	Confident	76.7	Confident	59 Å²	59	84.4 Å²	84.4	41%	0.413	42%	0.42	S	S	.	.	H	α-helix	trans	-66.7	-41.6	174.9	-60.2	0	0	0	0	111.9	S873 Q874 Y875 S880 R881	S873-S877 WeakPolarHBondContact O-CB 3.27Å; S873-S877 PolarHBondContact O-N 3.4Å; S873-S877 VanDerWaalsContact O-N 3.15Å; S873-S877 PolarHBondContact O-OG 3.48Å; Q874-S877 WeakPolarHBondContact O-CA 3.41Å; Q874-S877 WeakPolarHBondContact O-CB 3.32Å; Q874-S877 PolarHBondContact O-N 2.81Å; Q874-S877 VanDerWaalsContact O-N 3.11Å; Y875-S877 VanDerWaalsContact C-N 3.28Å; Y875-S877 PolarHBondContact O-N 2.83Å; S877-S880 PolarHBondContact O-OG 2.76Å; S877-R881 WeakPolarHBondContact O-CG 3.41Å; S877-R881 PolarHBondContact O-N 2.95Å
878	E	81.2	Confident	77.2	Confident	72 Å²	72	85.3 Å²	85.3	34%	0.336	42%	0.422	S	S	.	.	H	α-helix	trans	-67.4	-47.8	176.9	-163	122.1	-95.6	0	0	111.2	W417 Q874 Y875 S880 R881 T882	W417-E878 PolarHBondContact NE1-OE2 3.08Å; Q874-E878 PolarHBondContact O-N 2.98Å; Y875-E878 PolarHBondContact O-N 2.9Å; E878-S880 VanDerWaalsContact C-N 3.29Å; E878-S880 PolarHBondContact O-N 3.48Å; E878-R881 WeakPolarHBondContact O-CA 3.48Å; E878-R881 WeakPolarHBondContact O-CB 3.4Å; E878-R881 PolarHBondContact O-N 3.03Å; E878-T882 PolarHBondContact O-N 3.19Å; E878-T882 PolarHBondContact O-OG1 3.4Å
879	L	79.2	Confident	77.7	Confident	60 Å²	60	85 Å²	85	31%	0.314	42%	0.418	S	S	.	.	H	α-helix	trans	-53.5	-44.6	174.6	-165.5	79.7	0	0	0	111.8	L411 Y875 R881 T882 Y883	L411-L879 HydrophobicContact CD2-CD1 3.71Å; Y875-L879 VanDerWaalsContact O-CB 3.28Å; Y875-L879 WeakPolarHBondContact O-CB 3.33Å; Y875-L879 PolarHBondContact O-N 2.79Å; L879-R881 VanDerWaalsContact C-N 3.28Å; L879-R881 PolarHBondContact O-N 2.84Å; L879-T882 PolarHBondContact O-N 3.25Å; L879-Y883 WeakPolarHBondContact O-CB 3.34Å; L879-Y883 PolarHBondContact O-N 2.97Å
880	S	77.6	Confident	77.5	Confident	72 Å²	72	85 Å²	85	50%	0.503	42%	0.417	S	S	.	.	H	α-helix	trans	-64	-30.9	177.7	78.9	0	0	0	0	113.4	L876 S877 E878 K884	L876-S880 WeakPolarHBondContact O-CB 3.26Å; L876-S880 PolarHBondContact O-N 2.87Å; S877-S880 PolarHBondContact O-OG 2.76Å; E878-S880 VanDerWaalsContact C-N 3.29Å; E878-S880 PolarHBondContact O-N 3.48Å; S880-K884 WeakPolarHBondContact O-CB 3.31Å; S880-K884 PolarHBondContact O-N 3.43Å
881	R	80.6	Confident	77.5	Confident	154 Å²	154	88.9 Å²	88.9	58%	0.581	43%	0.43	S	S	*	.	H	α-helix	trans	-76.1	-42.4	176.8	-68.3	165.7	176.1	-174.5	-1.9	111.2	S877 E878 L879 K884 R885	S877-R881 WeakPolarHBondContact O-CG 3.41Å; S877-R881 PolarHBondContact O-N 2.95Å; E878-R881 WeakPolarHBondContact O-CA 3.48Å; E878-R881 WeakPolarHBondContact O-CB 3.4Å; E878-R881 PolarHBondContact O-N 3.03Å; L879-R881 VanDerWaalsContact C-N 3.28Å; L879-R881 PolarHBondContact O-N 2.84Å; R881-K884 PolarHBondContact O-N 3.15Å; R881-R885 WeakPolarHBondContact O-CG 3.31Å; R881-R885 PolarHBondContact O-N 2.92Å
882	T	76.9	Confident	77.8	Confident	48 Å²	48	93.2 Å²	93.2	29%	0.294	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-49.6	176.1	-57.3	0	0	0	0	111	E878 L879 K884 R885 Q886	E878-T882 PolarHBondContact O-N 3.19Å; E878-T882 PolarHBondContact O-OG1 3.4Å; L879-T882 PolarHBondContact O-N 3.25Å; T882-K884 VanDerWaalsContact C-N 3.29Å; T882-K884 PolarHBondContact O-N 3.37Å; T882-R885 PolarHBondContact O-N 3.36Å; T882-R885 VanDerWaalsContact O-N 3.12Å; T882-Q886 PolarHBondContact O-N 3.22Å
883	Y	72.7	Confident	77.6	Confident	157 Å²	157	93.2 Å²	93.2	62%	0.616	45%	0.445	S	S	*	.	H	α-helix	trans	-58	-40.7	176.5	-174.3	-98.2	0	0	0	112.5	L879 Q886 M887	L879-Y883 WeakPolarHBondContact O-CB 3.34Å; L879-Y883 PolarHBondContact O-N 2.97Å; Y883-Q886 PolarHBondContact O-N 2.85Å; Y883-M887 WeakPolarHBondContact O-CB 3.28Å; Y883-M887 PolarHBondContact O-N 3.32Å
884	K	79.8	Confident	77.6	Confident	118 Å²	118	94.8 Å²	94.8	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-62.1	-45.7	175.3	-179	176.3	170.7	-179.3	0	112.2	S880 R881 T882 M887 E888	S880-K884 WeakPolarHBondContact O-CB 3.31Å; S880-K884 PolarHBondContact O-N 3.43Å; R881-K884 PolarHBondContact O-N 3.15Å; T882-K884 VanDerWaalsContact C-N 3.29Å; T882-K884 PolarHBondContact O-N 3.37Å; K884-M887 PolarHBondContact O-N 3.3Å; K884-E888 WeakPolarHBondContact CE-OE1 3.49Å; K884-E888 IonicContact NZ-OE1 3.85Å; K884-E888 WeakPolarHBondContact O-CG 3.41Å; K884-E888 PolarHBondContact O-N 3.31Å
885	R	79.6	Confident	77.5	Confident	169 Å²	169	94.8 Å²	94.8	64%	0.638	45%	0.45	S	S	*	.	H	α-helix	trans	-59.7	-48.4	176.8	-72.5	174.7	-177.7	146.3	-4	111.5	R881 T882 M887 E888 E889	R881-R885 WeakPolarHBondContact O-CG 3.31Å; R881-R885 PolarHBondContact O-N 2.92Å; T882-R885 PolarHBondContact O-N 3.36Å; T882-R885 VanDerWaalsContact O-N 3.12Å; R885-M887 VanDerWaalsContact C-N 3.28Å; R885-M887 PolarHBondContact O-N 3.04Å; R885-E888 PolarHBondContact O-N 2.79Å; R885-E888 VanDerWaalsContact O-N 3.13Å; R885-E889 PolarHBondContact O-N 3.33Å
886	Q	73.6	Confident	77.4	Confident	61 Å²	61	96.7 Å²	96.7	29%	0.285	46%	0.457	S	S	.	.	H	α-helix	trans	-59.4	-38.5	178.4	-71.2	-174.2	-48.3	0	0	112.3	D408 T882 Y883 M890	D408-Q886 WeakPolarHBondContact OD2-CG 3.36Å; D408-Q886 PolarHBondContact OD2-NE2 3.49Å; T882-Q886 PolarHBondContact O-N 3.22Å; Y883-Q886 PolarHBondContact O-N 2.85Å; Q886-M890 WeakPolarHBondContact O-CB 3.46Å; Q886-M890 PolarHBondContact O-N 3.32Å
887	M	70	Confident	77.2	Confident	94 Å²	94	95.4 Å²	95.4	46%	0.463	45%	0.454	S	S	.	.	H	α-helix	trans	-69.1	-37.1	176.3	-167.7	170.7	65.1	0	0	112.6	Y883 K884 R885 Q891	Y883-M887 WeakPolarHBondContact O-CB 3.28Å; Y883-M887 PolarHBondContact O-N 3.32Å; K884-M887 PolarHBondContact O-N 3.3Å; R885-M887 VanDerWaalsContact C-N 3.28Å; R885-M887 PolarHBondContact O-N 3.04Å; M887-Q891 WeakPolarHBondContact O-CB 3.05Å; M887-Q891 PolarHBondContact O-N 3Å
888	E	79.5	Confident	77.4	Confident	110 Å²	110	95.3 Å²	95.3	51%	0.514	45%	0.449	S	S	.	.	H	α-helix	trans	-67.8	-41.5	174.2	-72.1	175	169.2	0	0	111.8	K884 R885 Q891 K892	K884-E888 WeakPolarHBondContact CE-OE1 3.49Å; K884-E888 IonicContact NZ-OE1 3.85Å; K884-E888 WeakPolarHBondContact O-CG 3.41Å; K884-E888 PolarHBondContact O-N 3.31Å; R885-E888 PolarHBondContact O-N 2.79Å; R885-E888 VanDerWaalsContact O-N 3.13Å; E888-Q891 PolarHBondContact O-N 3.12Å; E888-K892 WeakPolarHBondContact O-CB 3.36Å; E888-K892 PolarHBondContact O-N 3.22Å
889	E	75.6	Confident	77.3	Confident	83 Å²	83	95.2 Å²	95.2	39%	0.388	46%	0.456	S	S	.	.	H	α-helix	trans	-66.3	-44.1	175.2	-157.2	71	-118	0	0	111.7	R885 Q891 K892 N893	R885-E889 PolarHBondContact O-N 3.33Å; E889-Q891 VanDerWaalsContact C-N 3.35Å; E889-Q891 PolarHBondContact O-N 3.13Å; E889-K892 WeakPolarHBondContact O-CB 3.3Å; E889-K892 PolarHBondContact O-N 3.05Å; E889-K892 WeakPolarHBondContact OE1-CD 3.31Å; E889-K892 IonicContact OE1-NZ 3.53Å; E889-K892 PolarHBondContact OE1-NZ 3.41Å; E889-K892 IonicContact OE2-NZ 2.68Å; E889-N893 WeakPolarHBondContact O-CB 3.47Å; E889-N893 PolarHBondContact O-N 3.11Å
890	M	69.3	Low	77.2	Confident	118 Å²	118	97.9 Å²	97.9	58%	0.581	47%	0.47	S	S	*	.	H	α-helix	trans	-61.7	-40.7	175.2	-178.3	174.3	60.1	0	0	111.9	Q886 N893 L894	Q886-M890 WeakPolarHBondContact O-CB 3.46Å; Q886-M890 PolarHBondContact O-N 3.32Å; M890-N893 PolarHBondContact O-N 3.02Å; M890-L894 WeakPolarHBondContact O-CB 3.3Å; M890-L894 PolarHBondContact O-N 2.92Å
891	Q	78.2	Confident	77.3	Confident	130 Å²	130	98.1 Å²	98.1	61%	0.607	47%	0.469	S	S	*	.	H	α-helix	trans	-69.5	-35.4	177.2	-171.7	168.1	-61.4	0	0	112.3	M887 E888 E889 L894 N895	M887-Q891 WeakPolarHBondContact O-CB 3.05Å; M887-Q891 PolarHBondContact O-N 3Å; E888-Q891 PolarHBondContact O-N 3.12Å; E889-Q891 VanDerWaalsContact C-N 3.35Å; E889-Q891 PolarHBondContact O-N 3.13Å; Q891-L894 PolarHBondContact O-N 3.28Å; Q891-N895 PolarHBondContact O-N 2.85Å; Q891-N895 PolarHBondContact O-ND2 2.89Å
892	K	81.3	Confident	77.2	Confident	99 Å²	99	92.3 Å²	92.3	43%	0.43	45%	0.453	S	S	.	.	H	α-helix	trans	-64.5	-40.9	171.8	179.6	-178.6	166.6	-153.2	0	111.6	E888 E889 N895 R896	E888-K892 WeakPolarHBondContact O-CB 3.36Å; E888-K892 PolarHBondContact O-N 3.22Å; E889-K892 WeakPolarHBondContact O-CB 3.3Å; E889-K892 PolarHBondContact O-N 3.05Å; E889-K892 WeakPolarHBondContact OE1-CD 3.31Å; E889-K892 IonicContact OE1-NZ 3.53Å; E889-K892 PolarHBondContact OE1-NZ 3.41Å; E889-K892 IonicContact OE2-NZ 2.68Å; K892-N895 PolarHBondContact O-N 3.28Å; K892-R896 WeakPolarHBondContact O-CG 3.45Å; K892-R896 PolarHBondContact O-N 3.27Å; K892-R896 VanDerWaalsContact O-N 3.09Å
893	N	73.2	Confident	77.4	Confident	45 Å²	45	93.9 Å²	93.9	24%	0.241	46%	0.457	C	S	.	.	H	α-helix	trans	-68.5	-39.7	174.1	-73.2	-20.2	0	0	0	112.7	E889 M890 N895 R896 T897	E889-N893 WeakPolarHBondContact O-CB 3.47Å; E889-N893 PolarHBondContact O-N 3.11Å; M890-N893 PolarHBondContact O-N 3.02Å; N893-N895 VanDerWaalsContact C-N 3.34Å; N893-N895 PolarHBondContact O-N 3.18Å; N893-R896 WeakPolarHBondContact O-CB 3.47Å; N893-R896 PolarHBondContact O-N 3.39Å; N893-R896 PolarHBondContact OD1-NH1 2.69Å; N893-T897 PolarHBondContact O-N 3.1Å; N893-T897 PolarHBondContact O-OG1 3.42Å
894	L	78.4	Confident	77.5	Confident	96 Å²	96	90.1 Å²	90.1	50%	0.503	45%	0.451	S	S	.	.	H	α-helix	trans	-58.2	-45.4	171.6	179.5	61.6	0	0	0	111.4	M890 Q891 R896 T897 L898	M890-L894 WeakPolarHBondContact O-CB 3.3Å; M890-L894 PolarHBondContact O-N 2.92Å; Q891-L894 PolarHBondContact O-N 3.28Å; L894-R896 VanDerWaalsContact C-N 3.35Å; L894-R896 PolarHBondContact O-N 3.17Å; L894-T897 PolarHBondContact O-N 3Å; L894-L898 HydrophobicContact CD1-CD1 4.46Å; L894-L898 HydrophobicContact CD1-CG 4.26Å; L894-L898 HydrophobicContact CG-CD1 4.26Å; L894-L898 HydrophobicContact CG-CG 4.44Å; L894-L898 VanDerWaalsContact O-CG 3.32Å; L894-L898 WeakPolarHBondContact O-CG 3.29Å; L894-L898 PolarHBondContact O-N 3.28Å
895	N	80.6	Confident	77.5	Confident	95 Å²	95	90.1 Å²	90.1	51%	0.508	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-39	177.4	-74.3	-19.9	0	0	0	112.7	Q891 K892 N893 L898 S899	Q891-N895 PolarHBondContact O-N 2.85Å; Q891-N895 PolarHBondContact O-ND2 2.89Å; K892-N895 PolarHBondContact O-N 3.28Å; N893-N895 VanDerWaalsContact C-N 3.34Å; N893-N895 PolarHBondContact O-N 3.18Å; N895-L898 PolarHBondContact O-N 3.4Å; N895-S899 PolarHBondContact O-N 3.34Å
896	R	79.7	Confident	77.7	Confident	82 Å²	82	89.2 Å²	89.2	31%	0.309	45%	0.449	S	S	.	.	H	α-helix	trans	-58.9	-52.9	171.7	-71.5	164.4	167.6	157.5	-11.3	110.8	K892 N893 L894 L898 S899 L900	K892-R896 WeakPolarHBondContact O-CG 3.45Å; K892-R896 PolarHBondContact O-N 3.27Å; K892-R896 VanDerWaalsContact O-N 3.09Å; N893-R896 WeakPolarHBondContact O-CB 3.47Å; N893-R896 PolarHBondContact O-N 3.39Å; N893-R896 PolarHBondContact OD1-NH1 2.69Å; L894-R896 VanDerWaalsContact C-N 3.35Å; L894-R896 PolarHBondContact O-N 3.17Å; R896-L898 VanDerWaalsContact C-N 3.32Å; R896-L898 PolarHBondContact O-N 2.99Å; R896-S899 PolarHBondContact O-N 2.92Å; R896-S899 VanDerWaalsContact O-N 3.08Å; R896-S899 PolarHBondContact O-OG 2.84Å; R896-L900 PolarHBondContact O-N 3.48Å; R896-L900 VanDerWaalsContact O-N 3.12Å
897	T	74.8	Confident	78.2	Confident	82 Å²	82	94 Å²	94	50%	0.503	47%	0.465	S	S	.	.	H	α-helix	trans	-58.8	-41.1	178.7	-55.8	0	0	0	0	112.3	N893 L894 S899 L900 V901	N893-T897 PolarHBondContact O-N 3.1Å; N893-T897 PolarHBondContact O-OG1 3.42Å; L894-T897 PolarHBondContact O-N 3Å; T897-S899 VanDerWaalsContact C-N 3.34Å; T897-S899 PolarHBondContact O-N 2.73Å; T897-L900 PolarHBondContact O-N 2.82Å; T897-V901 WeakPolarHBondContact O-CG2 3.45Å; T897-V901 PolarHBondContact O-N 3.5Å
898	L	83.4	Confident	78.6	Confident	56 Å²	56	94.3 Å²	94.3	29%	0.293	47%	0.468	S	S	.	.	H	α-helix	trans	-64.9	-34.9	176.2	-70.2	-177.7	0	0	0	112.9	R111 L894 N895 R896 A902	R111-L898 VanDerWaalsContact NH2-CD2 3.3Å; L894-L898 HydrophobicContact CD1-CD1 4.46Å; L894-L898 HydrophobicContact CD1-CG 4.26Å; L894-L898 HydrophobicContact CG-CD1 4.26Å; L894-L898 HydrophobicContact CG-CG 4.44Å; L894-L898 VanDerWaalsContact O-CG 3.32Å; L894-L898 WeakPolarHBondContact O-CG 3.29Å; L894-L898 PolarHBondContact O-N 3.28Å; N895-L898 PolarHBondContact O-N 3.4Å; R896-L898 VanDerWaalsContact C-N 3.32Å; R896-L898 PolarHBondContact O-N 2.99Å; L898-A902 WeakPolarHBondContact O-CB 3.26Å; L898-A902 PolarHBondContact O-N 3.18Å
899	S	78.6	Confident	78.9	Confident	71 Å²	71	93.9 Å²	93.9	50%	0.497	47%	0.469	S	S	.	.	H	α-helix	trans	-67.5	-39.1	175.1	72.4	0	0	0	0	112.6	N895 R896 T897 A902 E903	N895-S899 PolarHBondContact O-N 3.34Å; R896-S899 PolarHBondContact O-N 2.92Å; R896-S899 VanDerWaalsContact O-N 3.08Å; R896-S899 PolarHBondContact O-OG 2.84Å; T897-S899 VanDerWaalsContact C-N 3.34Å; T897-S899 PolarHBondContact O-N 2.73Å; S899-A902 PolarHBondContact O-N 3.09Å; S899-E903 PolarHBondContact O-N 3.48Å
900	L	78.3	Confident	79.2	Confident	115 Å²	115	93 Å²	93	60%	0.602	47%	0.471	S	S	*	.	H	α-helix	trans	-66.6	-44.6	175.5	-68.3	171.4	0	0	0	111.8	R896 T897 A902 E903 T904	R896-L900 PolarHBondContact O-N 3.48Å; R896-L900 VanDerWaalsContact O-N 3.12Å; T897-L900 PolarHBondContact O-N 2.82Å; L900-A902 VanDerWaalsContact C-N 3.33Å; L900-A902 PolarHBondContact O-N 3.08Å; L900-E903 PolarHBondContact O-N 3.18Å; L900-E903 VanDerWaalsContact O-N 3.08Å; L900-T904 PolarHBondContact O-N 3.23Å
901	V	78.3	Confident	79.5	Confident	78 Å²	78	92.6 Å²	92.6	47%	0.473	47%	0.469	S	S	.	.	H	α-helix	trans	-61.3	-41.1	175.9	171.3	0	0	0	0	111.4	T897 E903 T904 E905	T897-V901 WeakPolarHBondContact O-CG2 3.45Å; T897-V901 PolarHBondContact O-N 3.5Å; V901-E903 PolarHBondContact O-N 3.29Å; V901-T904 PolarHBondContact O-N 3.29Å; V901-T904 PolarHBondContact O-OG1 2.97Å; V901-T904 VanDerWaalsContact O-OG1 3.07Å; V901-E905 WeakPolarHBondContact O-CB 3.29Å; V901-E905 PolarHBondContact O-N 2.91Å
902	A	80	Confident	79.6	Confident	32 Å²	32	90.9 Å²	90.9	26%	0.264	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-19.9	176.2	0	0	0	0	0	113.4	L898 S899 L900 R906	L898-A902 WeakPolarHBondContact O-CB 3.26Å; L898-A902 PolarHBondContact O-N 3.18Å; S899-A902 PolarHBondContact O-N 3.09Å; L900-A902 VanDerWaalsContact C-N 3.33Å; L900-A902 PolarHBondContact O-N 3.08Å; A902-R906 WeakPolarHBondContact O-CG 3.18Å
903	E	81	Confident	79.7	Confident	81 Å²	81	92.4 Å²	92.4	38%	0.379	47%	0.472	S	S	.	.	H	α-helix	trans	-89.7	-38	172.7	-162.1	179	133.9	0	0	112.9	S899 L900 V901 E905 R906 R907	S899-E903 PolarHBondContact O-N 3.48Å; L900-E903 PolarHBondContact O-N 3.18Å; L900-E903 VanDerWaalsContact O-N 3.08Å; V901-E903 PolarHBondContact O-N 3.29Å; E903-E905 PolarHBondContact O-N 2.72Å; E903-R906 PolarHBondContact O-N 3.11Å; E903-R907 WeakPolarHBondContact O-CG 3.38Å; E903-R907 PolarHBondContact O-N 3.22Å; E903-R907 IonicContact OE1-CZ 2.77Å; E903-R907 VanDerWaalsContact OE1-CZ 3.31Å; E903-R907 IonicContact OE1-NE 3.31Å; E903-R907 PolarHBondContact OE1-NE 3.12Å; E903-R907 VanDerWaalsContact OE1-NE 3.17Å; E903-R907 IonicContact OE1-NH2 3.7Å; E903-R907 PolarHBondContact OE1-NH2 3.47Å
904	T	75	Confident	80.2	Confident	78 Å²	78	94.7 Å²	94.7	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-63.2	-33.9	172.6	58.1	0	0	0	0	111.6	L900 V901 R907 L908	L900-T904 PolarHBondContact O-N 3.23Å; V901-T904 PolarHBondContact O-N 3.29Å; V901-T904 PolarHBondContact O-OG1 2.97Å; V901-T904 VanDerWaalsContact O-OG1 3.07Å; T904-R907 PolarHBondContact O-N 3.48Å; T904-L908 WeakPolarHBondContact O-CB 3.44Å; T904-L908 WeakPolarHBondContact O-CG 3.46Å; T904-L908 PolarHBondContact O-N 3.33Å
905	E	79.1	Confident	80.2	Confident	118 Å²	118	95.2 Å²	95.2	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-59	-48.1	170.4	-173.8	173.2	-169.7	0	0	112	V901 E903 R907 L908 L909	V901-E905 WeakPolarHBondContact O-CB 3.29Å; V901-E905 PolarHBondContact O-N 2.91Å; E903-E905 PolarHBondContact O-N 2.72Å; E905-R907 PolarHBondContact O-N 2.99Å; E905-L908 PolarHBondContact O-N 2.83Å; E905-L909 HydrophobicContact CG-CD1 4.25Å; E905-L909 WeakPolarHBondContact O-CG 3.06Å; E905-L909 PolarHBondContact O-N 3.09Å
906	R	84.6	Confident	80.3	Confident	149 Å²	149	94.3 Å²	94.3	56%	0.562	48%	0.482	S	S	*	.	H	α-helix	trans	-61.1	-43.7	175.7	-68.4	179.5	-149.6	113.3	7.8	112.4	A902 E903 L909 S910	A902-R906 WeakPolarHBondContact O-CG 3.18Å; E903-R906 PolarHBondContact O-N 3.11Å; R906-L909 PolarHBondContact O-N 3.24Å; R906-S910 PolarHBondContact O-N 2.9Å; R906-S910 PolarHBondContact O-OG 3.46Å
907	R	82.6	Confident	80.6	Confident	161 Å²	161	95.6 Å²	95.6	61%	0.608	50%	0.495	S	S	*	.	H	α-helix	trans	-63.1	-41.7	178.5	-66.7	177.5	-172.9	-157.8	4	111.2	E903 T904 E905 S910 M911	E903-R907 WeakPolarHBondContact O-CG 3.38Å; E903-R907 PolarHBondContact O-N 3.22Å; E903-R907 IonicContact OE1-CZ 2.77Å; E903-R907 VanDerWaalsContact OE1-CZ 3.31Å; E903-R907 IonicContact OE1-NE 3.31Å; E903-R907 PolarHBondContact OE1-NE 3.12Å; E903-R907 VanDerWaalsContact OE1-NE 3.17Å; E903-R907 IonicContact OE1-NH2 3.7Å; E903-R907 PolarHBondContact OE1-NH2 3.47Å; T904-R907 PolarHBondContact O-N 3.48Å; E905-R907 PolarHBondContact O-N 2.99Å; R907-S910 PolarHBondContact O-N 3.33Å; R907-S910 PolarHBondContact O-OG 3.37Å; R907-M911 WeakPolarHBondContact O-CB 3.19Å; R907-M911 PolarHBondContact O-N 3.2Å
908	L	79.3	Confident	81.1	Confident	101 Å²	101	96.7 Å²	96.7	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-62.6	-44.6	173.6	-82.1	164.5	0	0	0	112.2	T904 E905 M911 I912	T904-L908 WeakPolarHBondContact O-CB 3.44Å; T904-L908 WeakPolarHBondContact O-CG 3.46Å; T904-L908 PolarHBondContact O-N 3.33Å; E905-L908 PolarHBondContact O-N 2.83Å; L908-M911 WeakPolarHBondContact O-CB 3.28Å; L908-M911 PolarHBondContact O-N 3.11Å; L908-M911 VanDerWaalsContact O-N 3.16Å; L908-I912 WeakPolarHBondContact O-CG1 3.46Å; L908-I912 PolarHBondContact O-N 3Å
909	L	85.1	Confident	81.1	Confident	102 Å²	102	99 Å²	99	53%	0.534	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-45.3	177.4	-70.9	169.9	0	0	0	111.9	E905 R906 M911 I912 E913	E905-L909 HydrophobicContact CG-CD1 4.25Å; E905-L909 WeakPolarHBondContact O-CG 3.06Å; E905-L909 PolarHBondContact O-N 3.09Å; R906-L909 PolarHBondContact O-N 3.24Å; L909-M911 VanDerWaalsContact C-N 3.27Å; L909-M911 PolarHBondContact O-N 3.46Å; L909-I912 PolarHBondContact O-N 3.27Å; L909-E913 PolarHBondContact O-N 3.29Å
910	S	82.4	Confident	81.3	Confident	63 Å²	63	103.5 Å²	103.5	44%	0.441	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-32.5	174.8	59.3	0	0	0	0	113.2	R906 R907 V914	R906-S910 PolarHBondContact O-N 2.9Å; R906-S910 PolarHBondContact O-OG 3.46Å; R907-S910 PolarHBondContact O-N 3.33Å; R907-S910 PolarHBondContact O-OG 3.37Å; S910-V914 WeakPolarHBondContact O-CG2 3.21Å; S910-V914 PolarHBondContact O-N 2.85Å
911	M	75.4	Confident	81.6	Confident	111 Å²	111	101.4 Å²	101.4	55%	0.547	51%	0.511	S	S	.	.	H	α-helix	trans	-71.4	-36.7	176.3	-171.5	178.6	-66.2	0	0	111.6	R907 L908 L909 H915	R907-M911 WeakPolarHBondContact O-CB 3.19Å; R907-M911 PolarHBondContact O-N 3.2Å; L908-M911 WeakPolarHBondContact O-CB 3.28Å; L908-M911 PolarHBondContact O-N 3.11Å; L908-M911 VanDerWaalsContact O-N 3.16Å; L909-M911 VanDerWaalsContact C-N 3.27Å; L909-M911 PolarHBondContact O-N 3.46Å; M911-H915 PolarHBondContact O-N 3.43Å; M911-H915 PolarHBondContact O-ND1 3.25Å
912	I	81	Confident	81.7	Confident	93 Å²	93	102.7 Å²	102.7	48%	0.477	52%	0.515	S	S	.	.	H	α-helix	trans	-66	-40.9	174.8	-70	162.5	0	0	0	110.9	L908 L909 H915 N916	L908-I912 WeakPolarHBondContact O-CG1 3.46Å; L908-I912 PolarHBondContact O-N 3Å; L909-I912 PolarHBondContact O-N 3.27Å; I912-H915 PolarHBondContact O-N 3.06Å; I912-N916 PolarHBondContact O-N 3.43Å; I912-N916 PolarHBondContact O-ND2 2.86Å; I912-N916 VanDerWaalsContact O-ND2 3.13Å
913	E	82.7	Confident	82.2	Confident	132 Å²	132	106.5 Å²	106.5	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-59.3	-51.5	175.6	-169.3	165.4	-151.9	0	0	111.4	L909 H915 N916 D917	L909-E913 PolarHBondContact O-N 3.29Å; E913-H915 VanDerWaalsContact C-N 3.32Å; E913-H915 PolarHBondContact O-N 2.95Å; E913-N916 PolarHBondContact O-N 3.49Å; E913-N916 VanDerWaalsContact O-N 3.12Å; E913-D917 PolarHBondContact O-N 3.11Å
914	V	84.2	Confident	82.4	Confident	92 Å²	92	106.2 Å²	106.2	56%	0.558	53%	0.533	S	S	*	.	H	α-helix	trans	-60.1	-38.6	175.8	173.4	0	0	0	0	112.4	S910 L918	S910-V914 WeakPolarHBondContact O-CG2 3.21Å; S910-V914 PolarHBondContact O-N 2.85Å; V914-L918 WeakPolarHBondContact O-CB 3.3Å; V914-L918 PolarHBondContact O-N 3.38Å; V914-L918 VanDerWaalsContact O-N 3.09Å
915	H	78.5	Confident	83	Confident	108 Å²	108	110.2 Å²	110.2	50%	0.5	54%	0.539	S	S	.	.	H	α-helix	trans	-67.8	-37	175.9	-80.9	76	0	0	0	112.5	M911 I912 E913 L918 I919	M911-H915 PolarHBondContact O-N 3.43Å; M911-H915 PolarHBondContact O-ND1 3.25Å; I912-H915 PolarHBondContact O-N 3.06Å; E913-H915 VanDerWaalsContact C-N 3.32Å; E913-H915 PolarHBondContact O-N 2.95Å; H915-L918 PolarHBondContact O-N 3.02Å; H915-I919 WeakPolarHBondContact O-CB 3.33Å; H915-I919 WeakPolarHBondContact O-CD1 3.25Å; H915-I919 VanDerWaalsContact O-CG1 3.24Å; H915-I919 WeakPolarHBondContact O-CG1 3.3Å; H915-I919 PolarHBondContact O-N 3.24Å
916	N	83	Confident	83.2	Confident	75 Å²	75	109 Å²	109	40%	0.401	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-45.3	176	-74.5	-39.4	0	0	0	111.3	I912 E913 L918 I919 Y920	I912-N916 PolarHBondContact O-N 3.43Å; I912-N916 PolarHBondContact O-ND2 2.86Å; I912-N916 VanDerWaalsContact O-ND2 3.13Å; E913-N916 PolarHBondContact O-N 3.49Å; E913-N916 VanDerWaalsContact O-N 3.12Å; N916-L918 VanDerWaalsContact C-N 3.3Å; N916-L918 PolarHBondContact O-N 3.45Å; N916-I919 CarbonylContact O-C 3.55Å; N916-I919 WeakPolarHBondContact O-CB 3.47Å; N916-I919 PolarHBondContact O-N 3.49Å; N916-I919 VanDerWaalsContact O-N 3.16Å; N916-Y920 HydrophobicContact CB-CE2 4.48Å; N916-Y920 WeakPolarHBondContact O-CD2 3.46Å; N916-Y920 PolarHBondContact O-N 2.97Å
917	D	85.1	Confident	83.2	Confident	110 Å²	110	105.7 Å²	105.7	59%	0.588	53%	0.533	S	S	*	.	H	α-helix	trans	-60.3	-40.1	175.3	-81.7	-6.7	0	0	0	112.1	E913 Y920 S921	E913-D917 PolarHBondContact O-N 3.11Å; D917-Y920 PolarHBondContact O-N 3.22Å; D917-S921 WeakPolarHBondContact O-CB 3.49Å; D917-S921 PolarHBondContact O-N 3.24Å
918	L	84.6	Confident	83.3	Confident	104 Å²	104	103.6 Å²	103.6	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-64.7	-40.3	175.6	-135.9	163.6	0	0	0	111.3	V914 H915 N916 S921 L922	V914-L918 WeakPolarHBondContact O-CB 3.3Å; V914-L918 PolarHBondContact O-N 3.38Å; V914-L918 VanDerWaalsContact O-N 3.09Å; H915-L918 PolarHBondContact O-N 3.02Å; N916-L918 VanDerWaalsContact C-N 3.3Å; N916-L918 PolarHBondContact O-N 3.45Å; L918-S921 PolarHBondContact O-N 3.04Å; L918-L922 HydrophobicContact CD2-CD1 4.46Å; L918-L922 WeakPolarHBondContact O-CB 3.29Å; L918-L922 PolarHBondContact O-N 2.9Å
919	I	84.9	Confident	83.5	Confident	106 Å²	106	102.8 Å²	102.8	54%	0.544	53%	0.529	S	S	.	.	H	α-helix	trans	-65.2	-42.2	173.7	-71.2	163.5	0	0	0	111.5	H915 N916 L922 K923	H915-I919 WeakPolarHBondContact O-CB 3.33Å; H915-I919 WeakPolarHBondContact O-CD1 3.25Å; H915-I919 VanDerWaalsContact O-CG1 3.24Å; H915-I919 WeakPolarHBondContact O-CG1 3.3Å; H915-I919 PolarHBondContact O-N 3.24Å; N916-I919 CarbonylContact O-C 3.55Å; N916-I919 WeakPolarHBondContact O-CB 3.47Å; N916-I919 PolarHBondContact O-N 3.49Å; N916-I919 VanDerWaalsContact O-N 3.16Å; I919-L922 PolarHBondContact O-N 2.67Å; I919-K923 VanDerWaalsContact O-CB 3.29Å; I919-K923 WeakPolarHBondContact O-CB 3.3Å; I919-K923 PolarHBondContact O-N 3.27Å
920	Y	83.4	Confident	83.4	Confident	165 Å²	165	100.9 Å²	100.9	65%	0.647	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-41.2	175.7	-79.2	-63	0	0	0	111.8	N916 D917 K923 S924	N916-Y920 HydrophobicContact CB-CE2 4.48Å; N916-Y920 WeakPolarHBondContact O-CD2 3.46Å; N916-Y920 PolarHBondContact O-N 2.97Å; D917-Y920 PolarHBondContact O-N 3.22Å; Y920-K923 PolarHBondContact O-N 3.08Å; Y920-S924 WeakPolarHBondContact O-CB 3.46Å; Y920-S924 PolarHBondContact O-N 2.85Å
921	S	83.3	Confident	83.2	Confident	70 Å²	70	100.7 Å²	100.7	49%	0.49	52%	0.523	S	S	.	.	H	α-helix	trans	-63.1	-46.5	174	-174.5	0	0	0	0	111.8	D917 L918 K923 S924 R925	D917-S921 WeakPolarHBondContact O-CB 3.49Å; D917-S921 PolarHBondContact O-N 3.24Å; L918-S921 PolarHBondContact O-N 3.04Å; S921-K923 VanDerWaalsContact C-N 3.34Å; S921-K923 PolarHBondContact O-N 2.96Å; S921-S924 PolarHBondContact O-N 2.9Å; S921-R925 WeakPolarHBondContact O-CG 3.42Å; S921-R925 PolarHBondContact O-N 2.81Å; S921-R925 VanDerWaalsContact O-N 3.12Å
922	L	81.3	Confident	83.4	Confident	105 Å²	105	101.5 Å²	101.5	55%	0.55	53%	0.527	S	S	.	.	H	α-helix	trans	-60.2	-45	175.7	-135.5	80.4	0	0	0	111.2	L918 I919 R925 V926	L918-L922 HydrophobicContact CD2-CD1 4.46Å; L918-L922 WeakPolarHBondContact O-CB 3.29Å; L918-L922 PolarHBondContact O-N 2.9Å; I919-L922 PolarHBondContact O-N 2.67Å; L922-R925 PolarHBondContact O-N 3.33Å; L922-V926 WeakPolarHBondContact O-CG2 3.5Å; L922-V926 PolarHBondContact O-N 3.3Å
923	K	88.9	Confident	83.2	Confident	112 Å²	112	101.7 Å²	101.7	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-61	-45.1	177.2	175.2	160.3	173.7	47.2	0	111.8	I919 Y920 S921 R925 V926 D927	I919-K923 VanDerWaalsContact O-CB 3.29Å; I919-K923 WeakPolarHBondContact O-CB 3.3Å; I919-K923 PolarHBondContact O-N 3.27Å; Y920-K923 PolarHBondContact O-N 3.08Å; S921-K923 VanDerWaalsContact C-N 3.34Å; S921-K923 PolarHBondContact O-N 2.96Å; K923-R925 VanDerWaalsContact C-N 3.29Å; K923-R925 PolarHBondContact O-N 3.38Å; K923-V926 PolarHBondContact O-N 3.26Å; K923-D927 WeakPolarHBondContact CE-OD2 3.46Å; K923-D927 WeakPolarHBondContact CG-OD2 3.41Å; K923-D927 IonicContact NZ-OD1 2.89Å; K923-D927 PolarHBondContact NZ-OD1 2.99Å; K923-D927 IonicContact NZ-OD2 3.17Å; K923-D927 PolarHBondContact NZ-OD2 3.34Å; K923-D927 WeakPolarHBondContact O-CB 3.2Å; K923-D927 VanDerWaalsContact O-CG 3.28Å; K923-D927 PolarHBondContact O-N 3.02Å
924	S	85.4	Confident	82.8	Confident	76 Å²	76	98.6 Å²	98.6	53%	0.531	52%	0.522	S	S	.	.	H	α-helix	trans	-57.6	-42.6	176.9	-169.4	0	0	0	0	111.7	Y920 S921 E928	Y920-S924 WeakPolarHBondContact O-CB 3.46Å; Y920-S924 PolarHBondContact O-N 2.85Å; S921-S924 PolarHBondContact O-N 2.9Å; S924-E928 VanDerWaalsContact O-CB 3.28Å; S924-E928 WeakPolarHBondContact O-CB 3.35Å; S924-E928 PolarHBondContact O-N 3.42Å
925	R	87.3	Confident	82.3	Confident	162 Å²	162	97.7 Å²	97.7	61%	0.611	52%	0.517	S	S	*	.	H	α-helix	trans	-70.2	-35.1	178	-66.1	179.6	69.7	-168.4	0.4	112.7	S921 L922 K923 V929	S921-R925 WeakPolarHBondContact O-CG 3.42Å; S921-R925 PolarHBondContact O-N 2.81Å; S921-R925 VanDerWaalsContact O-N 3.12Å; L922-R925 PolarHBondContact O-N 3.33Å; K923-R925 VanDerWaalsContact C-N 3.29Å; K923-R925 PolarHBondContact O-N 3.38Å; R925-V929 WeakPolarHBondContact O-CB 3.33Å; R925-V929 VanDerWaalsContact O-CG2 3.31Å; R925-V929 WeakPolarHBondContact O-CG2 3.34Å; R925-V929 PolarHBondContact O-N 3.47Å
926	V	85	Confident	81.7	Confident	92 Å²	92	95.5 Å²	95.5	56%	0.558	52%	0.517	S	S	*	.	H	α-helix	trans	-69.3	-41.9	174.4	170	0	0	0	0	111.3	L922 K923 V929 S930	L922-V926 WeakPolarHBondContact O-CG2 3.5Å; L922-V926 PolarHBondContact O-N 3.3Å; K923-V926 PolarHBondContact O-N 3.26Å; V926-V929 PolarHBondContact O-N 2.83Å; V926-S930 VanDerWaalsContact O-CB 3.26Å; V926-S930 WeakPolarHBondContact O-CB 3.39Å; V926-S930 PolarHBondContact O-N 3.2Å
927	D	84	Confident	80.6	Confident	79 Å²	79	94.1 Å²	94.1	42%	0.422	52%	0.521	S	S	.	.	H	α-helix	trans	-66.5	-38.4	176	-66.9	-25.5	0	0	0	111.1	K923 S930 S931	K923-D927 WeakPolarHBondContact CE-OD2 3.46Å; K923-D927 WeakPolarHBondContact CG-OD2 3.41Å; K923-D927 IonicContact NZ-OD1 2.89Å; K923-D927 PolarHBondContact NZ-OD1 2.99Å; K923-D927 IonicContact NZ-OD2 3.17Å; K923-D927 PolarHBondContact NZ-OD2 3.34Å; K923-D927 WeakPolarHBondContact O-CB 3.2Å; K923-D927 VanDerWaalsContact O-CG 3.28Å; K923-D927 PolarHBondContact O-N 3.02Å; D927-S930 WeakPolarHBondContact O-CB 3.42Å; D927-S930 PolarHBondContact O-N 3.17Å; D927-S931 PolarHBondContact O-N 3.1Å
928	E	85.4	Confident	79.1	Confident	117 Å²	117	96 Å²	96	55%	0.547	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-52.3	172.7	179.5	179.4	-155	0	0	111.8	S924 S930 S931 M932	S924-E928 VanDerWaalsContact O-CB 3.28Å; S924-E928 WeakPolarHBondContact O-CB 3.35Å; S924-E928 PolarHBondContact O-N 3.42Å; E928-S930 VanDerWaalsContact C-N 3.3Å; E928-S930 PolarHBondContact O-N 3.48Å; E928-S931 WeakPolarHBondContact O-CA 3.27Å; E928-S931 WeakPolarHBondContact O-CB 3.43Å; E928-S931 PolarHBondContact O-N 3.03Å; E928-S931 PolarHBondContact O-OG 3.4Å; E928-M932 PolarHBondContact O-N 2.87Å
929	V	82.6	Confident	77.8	Confident	84 Å²	84	97.9 Å²	97.9	51%	0.509	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-37.9	176.1	170.3	0	0	0	0	111.3	R925 V926 S931 M932 V933	R925-V929 WeakPolarHBondContact O-CB 3.33Å; R925-V929 VanDerWaalsContact O-CG2 3.31Å; R925-V929 WeakPolarHBondContact O-CG2 3.34Å; R925-V929 PolarHBondContact O-N 3.47Å; V926-V929 PolarHBondContact O-N 2.83Å; V929-S931 VanDerWaalsContact C-N 3.31Å; V929-S931 PolarHBondContact O-N 3.16Å; V929-M932 PolarHBondContact O-N 2.78Å; V929-V933 HydrophobicContact CG1-CG2 4.42Å; V929-V933 WeakPolarHBondContact O-CG2 3.49Å; V929-V933 PolarHBondContact O-N 3.04Å
930	S	82.8	Confident	76.2	Confident	62 Å²	62	96.3 Å²	96.3	43%	0.434	53%	0.532	S	S	.	.	H	α-helix	trans	-62.9	-37	173.3	-163.8	0	0	0	0	112	V926 D927 E928 T934	V926-S930 VanDerWaalsContact O-CB 3.26Å; V926-S930 WeakPolarHBondContact O-CB 3.39Å; V926-S930 PolarHBondContact O-N 3.2Å; D927-S930 WeakPolarHBondContact O-CB 3.42Å; D927-S930 PolarHBondContact O-N 3.17Å; E928-S930 VanDerWaalsContact C-N 3.3Å; E928-S930 PolarHBondContact O-N 3.48Å; S930-T934 WeakPolarHBondContact O-CB 3.39Å; S930-T934 VanDerWaalsContact O-CG2 3.3Å; S930-T934 WeakPolarHBondContact O-CG2 3.34Å; S930-T934 PolarHBondContact O-N 3.04Å; S930-T934 PolarHBondContact O-OG1 3.06Å
931	S	79.5	Confident	74.6	Confident	60 Å²	60	94.7 Å²	94.7	42%	0.42	54%	0.538	S	S	.	.	H	α-helix	trans	-65	-38.9	173.7	87	0	0	0	0	112.1	D927 E928 V929 T934 T935	D927-S931 PolarHBondContact O-N 3.1Å; E928-S931 WeakPolarHBondContact O-CA 3.27Å; E928-S931 WeakPolarHBondContact O-CB 3.43Å; E928-S931 PolarHBondContact O-N 3.03Å; E928-S931 PolarHBondContact O-OG 3.4Å; V929-S931 VanDerWaalsContact C-N 3.31Å; V929-S931 PolarHBondContact O-N 3.16Å; S931-T934 PolarHBondContact O-OG1 2.78Å; S931-T935 VanDerWaalsContact O-CB 3.25Å; S931-T935 WeakPolarHBondContact O-CB 3.47Å; S931-T935 PolarHBondContact O-N 2.93Å; S931-T935 PolarHBondContact O-OG1 3.43Å
932	M	78.4	Confident	72.8	Confident	128 Å²	128	96.7 Å²	96.7	63%	0.631	55%	0.55	S	S	*	.	H	α-helix	trans	-65.3	-50.9	174.3	-72	178.3	60.9	0	0	111.5	E928 V929 T934 T935 A936	E928-M932 PolarHBondContact O-N 2.87Å; V929-M932 PolarHBondContact O-N 2.78Å; M932-T934 PolarHBondContact O-N 3.47Å; M932-T935 PolarHBondContact O-N 3.42Å; M932-A936 PolarHBondContact O-N 3.12Å
933	V	78	Confident	70.9	Confident	97 Å²	97	99.7 Å²	99.7	59%	0.588	57%	0.566	S	S	*	*	H	α-helix	trans	-61.4	-43.5	179.9	172.9	0	0	0	0	111.2	V929 T935 G937	V929-V933 HydrophobicContact CG1-CG2 4.42Å; V929-V933 WeakPolarHBondContact O-CG2 3.49Å; V929-V933 PolarHBondContact O-N 3.04Å; V933-T935 VanDerWaalsContact C-N 3.25Å; V933-T935 PolarHBondContact O-N 3.31Å; V933-G937 PolarHBondContact O-N 3.2Å
934	T	72.9	Confident	69	Low	67 Å²	67	98.3 Å²	98.3	41%	0.411	57%	0.568	S	S	.	*	H	α-helix	trans	-75	-9.7	176.1	61.3	0	0	0	0	113.9	S930 S931 M932 K938	S930-T934 WeakPolarHBondContact O-CB 3.39Å; S930-T934 VanDerWaalsContact O-CG2 3.3Å; S930-T934 WeakPolarHBondContact O-CG2 3.34Å; S930-T934 PolarHBondContact O-N 3.04Å; S930-T934 PolarHBondContact O-OG1 3.06Å; S931-T934 PolarHBondContact O-OG1 2.78Å; M932-T934 PolarHBondContact O-N 3.47Å; T934-K938 WeakPolarHBondContact O-CD 3.2Å; T934-K938 WeakPolarHBondContact O-CE 3.47Å; T934-K938 WeakPolarHBondContact O-CG 3.34Å; T934-K938 PolarHBondContact O-NZ 3.16Å
935	T	74.7	Confident	67.5	Low	73 Å²	73	101.1 Å²	101.1	45%	0.448	58%	0.577	S	S	.	*	H	α-helix	trans	-89.6	-44.4	170.8	-61	0	0	0	0	110.6	S931 M932 V933 G937 K938 I939	S931-T935 VanDerWaalsContact O-CB 3.25Å; S931-T935 WeakPolarHBondContact O-CB 3.47Å; S931-T935 PolarHBondContact O-N 2.93Å; S931-T935 PolarHBondContact O-OG1 3.43Å; M932-T935 PolarHBondContact O-N 3.42Å; V933-T935 VanDerWaalsContact C-N 3.25Å; V933-T935 PolarHBondContact O-N 3.31Å; T935-G937 VanDerWaalsContact C-N 3.32Å; T935-G937 PolarHBondContact O-N 3.21Å; T935-K938 PolarHBondContact O-N 3.16Å; T935-I939 PolarHBondContact O-N 3.43Å
936	A	65	Low	65.9	Low	61 Å²	61	101.6 Å²	101.6	50%	0.504	58%	0.583	S	S	.	*	H	α-helix	trans	-55.3	-47.9	170	0	0	0	0	0	111.2	M932 K938 I939	M932-A936 PolarHBondContact O-N 3.12Å; A936-K938 PolarHBondContact O-N 3.16Å; A936-K938 VanDerWaalsContact O-N 3.16Å; A936-I939 PolarHBondContact O-N 3.4Å; A936-I939 VanDerWaalsContact O-N 3.09Å
937	G	60.5	Low	64.7	Low	46 Å²	46	106 Å²	106	47%	0.474	59%	0.59	S	S	.	*	H	α-helix	trans	-68.5	-5.4	176.3	0	0	0	0	0	116.1	V933 T935	V933-G937 PolarHBondContact O-N 3.2Å; T935-G937 VanDerWaalsContact C-N 3.32Å; T935-G937 PolarHBondContact O-N 3.21Å
938	K	53.5	Low	63.5	Low	149 Å²	149	108 Å²	108	65%	0.648	60%	0.6	S	S	*	*	H	α-helix	trans	-96.3	-17.7	170.1	-75.5	164.8	-162.6	146.7	0	113	T934 T935 A936 S940	T934-K938 WeakPolarHBondContact O-CD 3.2Å; T934-K938 WeakPolarHBondContact O-CE 3.47Å; T934-K938 WeakPolarHBondContact O-CG 3.34Å; T934-K938 PolarHBondContact O-NZ 3.16Å; T935-K938 PolarHBondContact O-N 3.16Å; A936-K938 PolarHBondContact O-N 3.16Å; A936-K938 VanDerWaalsContact O-N 3.16Å; K938-S940 VanDerWaalsContact C-N 3.32Å
939	I	56.3	Low	62.3	Low	145 Å²	145	109.4 Å²	109.4	74%	0.744	61%	0.607	S	S	*	*	H	α-helix	trans	-80	-22.4	176.9	-65.6	166.3	0	0	0	110.2	T935 A936	T935-I939 PolarHBondContact O-N 3.43Å; A936-I939 PolarHBondContact O-N 3.4Å; A936-I939 VanDerWaalsContact O-N 3.09Å
940	S	51.1	Low	61.3	Low	73 Å²	73	115.1 Å²	115.1	51%	0.51	62%	0.619	S	S	.	*	S	Bend	trans	-102.8	109.2	172.7	57.8	0	0	0	0	112.8	K938	K938-S940 VanDerWaalsContact C-N 3.32Å
941	V	51.2	Low	60.8	Low	130 Å²	130	114.8 Å²	114.8	79%	0.788	61%	0.611	S	S	*	*	S	Bend	trans	73.8	123.1	168.6	-165.3	0	0	0	0	116.4
942	P	44.5	Very low	60.1	Low	112 Å²	112	114.8 Å²	114.8	73%	0.727	61%	0.611	S	S	*	*			trans	-94.1	141.9	-176.9	35.7	-34.4	0	0	0	115.2
943	L	42.2	Very low	59.8	Low	169 Å²	169	110.6 Å²	110.6	89%	0.885	60%	0.601	S	S	*	*			trans	20.5	122.4	147.3	-64	161.2	0	0	0	117.8
944	P	48.6	Very low	59.7	Low	82 Å²	82	110.4 Å²	110.4	53%	0.532	60%	0.596	S	S	.	*				-150.4	12.8	73.2	41	-23	0	0	0	117.8	K946 W947	P944-K946 VanDerWaalsContact C-N 3.32Å; P944-K946 PolarHBondContact O-N 3.43Å; P944-W947 WeakPolarHBondContact O-CB 3.34Å; P944-W947 PolarHBondContact O-N 3.34Å
945	D	54.4	Low	59.7	Low	135 Å²	135	113.9 Å²	113.9	72%	0.722	61%	0.605	S	S	*	*	H	α-helix	trans	-51.1	-37.5	-162.5	-63.7	-31.8	0	0	0	116.9	W947 L948 Q949	D945-W947 VanDerWaalsContact C-N 3.31Å; D945-W947 PolarHBondContact O-N 3.21Å; D945-L948 PolarHBondContact O-N 3.14Å; D945-Q949 PolarHBondContact O-N 3.4Å; D945-Q949 VanDerWaalsContact O-N 3.13Å
946	K	53.4	Low	59.8	Low	172 Å²	172	114.7 Å²	114.7	75%	0.748	61%	0.61	S	S	*	*	H	α-helix	trans	-68	-29	178.4	-67.9	-169.9	177.6	-178.1	0	113.1	P944 Q949 W950	P944-K946 VanDerWaalsContact C-N 3.32Å; P944-K946 PolarHBondContact O-N 3.43Å; K946-Q949 PolarHBondContact O-N 3.15Å; K946-W950 PolarHBondContact O-N 2.76Å
947	W	59.1	Low	60.3	Low	184 Å²	184	117.3 Å²	117.3	70%	0.697	61%	0.614	S	S	*	*	H	α-helix	trans	-68.9	-43.2	175.9	-142.3	79.3	0	0	0	110	P944 D945 Q949 W950 H951	P944-W947 WeakPolarHBondContact O-CB 3.34Å; P944-W947 PolarHBondContact O-N 3.34Å; D945-W947 VanDerWaalsContact C-N 3.31Å; D945-W947 PolarHBondContact O-N 3.21Å; W947-Q949 VanDerWaalsContact C-N 3.31Å; W947-Q949 PolarHBondContact O-N 3Å; W947-W950 PolarHBondContact O-N 3.41Å; W947-H951 AromaticContact CD2-CD2 3.48Å; W947-H951 VanDerWaalsContact CD2-CD2 3.48Å; W947-H951 AromaticContact CD2-NE2 3.77Å; W947-H951 AromaticContact CE2-CD2 3.71Å; W947-H951 AromaticContact CE2-NE2 3.47Å; W947-H951 AromaticContact CE3-CD2 3.44Å; W947-H951 VanDerWaalsContact CE3-CD2 3.44Å; W947-H951 AromaticContact CE3-CG 3.87Å; W947-H951 AromaticContact CE3-NE2 3.88Å; W947-H951 AromaticContact CH2-CD2 3.91Å; W947-H951 AromaticContact CH2-CE1 3.62Å; W947-H951 AromaticContact CH2-NE2 3.47Å; W947-H951 WeakPolarHBondContact CH2-NE2 3.16Å; W947-H951 AromaticContact CZ2-CD2 3.95Å; W947-H951 AromaticContact CZ2-CE1 3.89Å; W947-H951 AromaticContact CZ2-NE2 3.34Å; W947-H951 VanDerWaalsContact CZ2-NE2 3.34Å; W947-H951 WeakPolarHBondContact CZ2-NE2 3.33Å; W947-H951 AromaticContact CZ3-CD2 3.66Å; W947-H951 AromaticContact CZ3-CE1 3.92Å; W947-H951 AromaticContact CZ3-CG 3.84Å; W947-H951 AromaticContact CZ3-NE2 3.73Å; W947-H951 WeakPolarHBondContact O-CB 3.49Å; W947-H951 PolarHBondContact O-CD2 3.29Å; W947-H951 PolarHBondContact O-N 3.38Å
948	L	60.1	Low	61.1	Low	123 Å²	123	120.4 Å²	120.4	64%	0.644	62%	0.616	S	S	*	*	H	α-helix	trans	-64.9	-32.5	177.1	-164.9	68.8	0	0	0	112.4	D945 S952	D945-L948 PolarHBondContact O-N 3.14Å; L948-S952 WeakPolarHBondContact O-CB 3.44Å; L948-S952 PolarHBondContact O-N 3.5Å; L948-S952 PolarHBondContact O-OG 3.34Å
949	Q	60.5	Low	62.2	Low	145 Å²	145	120.6 Å²	120.6	68%	0.678	62%	0.617	S	S	*	*	H	α-helix	trans	-70.6	-43.6	176.7	-163.3	174.6	34	0	0	112.9	D945 K946 W947 S952 G953	D945-Q949 PolarHBondContact O-N 3.4Å; D945-Q949 VanDerWaalsContact O-N 3.13Å; K946-Q949 PolarHBondContact O-N 3.15Å; W947-Q949 VanDerWaalsContact C-N 3.31Å; W947-Q949 PolarHBondContact O-N 3Å; Q949-S952 PolarHBondContact O-OG 3.24Å; Q949-S952 VanDerWaalsContact O-OG 3.14Å; Q949-G953 PolarHBondContact O-N 2.97Å
950	W	61	Low	63.1	Low	204 Å²	204	116.8 Å²	116.8	77%	0.773	60%	0.602	S	S	*	*	H	α-helix	trans	-68.7	-42.6	174	-80.6	101.3	0	0	0	112.1	K946 W947 G953 L954	K946-W950 PolarHBondContact O-N 2.76Å; W947-W950 PolarHBondContact O-N 3.41Å; W950-G953 PolarHBondContact O-N 2.82Å; W950-L954 WeakPolarHBondContact O-CB 3.22Å; W950-L954 PolarHBondContact O-N 2.86Å
951	H	71.2	Confident	64.5	Low	55 Å²	55	118.2 Å²	118.2	26%	0.255	60%	0.603	S	S	.	*	H	α-helix	trans	-70.9	-33.6	178.5	-82.2	-90.4	0	0	0	113	W947 L954 F955	W947-H951 AromaticContact CD2-CD2 3.48Å; W947-H951 VanDerWaalsContact CD2-CD2 3.48Å; W947-H951 AromaticContact CD2-NE2 3.77Å; W947-H951 AromaticContact CE2-CD2 3.71Å; W947-H951 AromaticContact CE2-NE2 3.47Å; W947-H951 AromaticContact CE3-CD2 3.44Å; W947-H951 VanDerWaalsContact CE3-CD2 3.44Å; W947-H951 AromaticContact CE3-CG 3.87Å; W947-H951 AromaticContact CE3-NE2 3.88Å; W947-H951 AromaticContact CH2-CD2 3.91Å; W947-H951 AromaticContact CH2-CE1 3.62Å; W947-H951 AromaticContact CH2-NE2 3.47Å; W947-H951 WeakPolarHBondContact CH2-NE2 3.16Å; W947-H951 AromaticContact CZ2-CD2 3.95Å; W947-H951 AromaticContact CZ2-CE1 3.89Å; W947-H951 AromaticContact CZ2-NE2 3.34Å; W947-H951 VanDerWaalsContact CZ2-NE2 3.34Å; W947-H951 WeakPolarHBondContact CZ2-NE2 3.33Å; W947-H951 AromaticContact CZ3-CD2 3.66Å; W947-H951 AromaticContact CZ3-CE1 3.92Å; W947-H951 AromaticContact CZ3-CG 3.84Å; W947-H951 AromaticContact CZ3-NE2 3.73Å; W947-H951 WeakPolarHBondContact O-CB 3.49Å; W947-H951 PolarHBondContact O-CD2 3.29Å; W947-H951 PolarHBondContact O-N 3.38Å; H951-L954 PolarHBondContact O-N 3.48Å; H951-F955 HydrophobicContact CB-CD2 4.27Å; H951-F955 HydrophobicContact CB-CE2 4.49Å; H951-F955 VanDerWaalsContact O-CB 3.23Å; H951-F955 WeakPolarHBondContact O-CB 3.3Å; H951-F955 WeakPolarHBondContact O-CD2 3.4Å; H951-F955 PolarHBondContact O-N 3.29Å
952	S	66.6	Low	65.8	Low	60 Å²	60	114.2 Å²	114.2	42%	0.42	58%	0.584	S	S	.	*	H	α-helix	trans	-67.3	-38.7	171.8	54.2	0	0	0	0	112	L948 Q949 V956	L948-S952 WeakPolarHBondContact O-CB 3.44Å; L948-S952 PolarHBondContact O-N 3.5Å; L948-S952 PolarHBondContact O-OG 3.34Å; Q949-S952 PolarHBondContact O-OG 3.24Å; Q949-S952 VanDerWaalsContact O-OG 3.14Å; S952-V956 WeakPolarHBondContact O-CB 3.33Å; S952-V956 VanDerWaalsContact O-CG2 3.25Å; S952-V956 WeakPolarHBondContact O-CG2 3.46Å; S952-V956 PolarHBondContact O-N 3.01Å
953	G	71.6	Confident	67.4	Low	41 Å²	41	111.5 Å²	111.5	42%	0.423	57%	0.568	S	S	.	*	H	α-helix	trans	-60.1	-45.2	170.5	0	0	0	0	0	112.7	Q949 W950 M957	Q949-G953 PolarHBondContact O-N 2.97Å; W950-G953 PolarHBondContact O-N 2.82Å; G953-M957 WeakPolarHBondContact O-CG 3.18Å; G953-M957 PolarHBondContact O-N 2.89Å
954	L	75.6	Confident	69	Low	93 Å²	93	107 Å²	107	49%	0.487	55%	0.55	S	S	.	*	H	α-helix	trans	-69.8	-44.1	178.9	-163.7	70.7	0	0	0	112.1	W950 H951 V956 M957 E958	W950-L954 WeakPolarHBondContact O-CB 3.22Å; W950-L954 PolarHBondContact O-N 2.86Å; H951-L954 PolarHBondContact O-N 3.48Å; L954-V956 VanDerWaalsContact C-N 3.33Å; L954-V956 PolarHBondContact O-N 3.14Å; L954-M957 CarbonylContact O-C 3.59Å; L954-M957 PolarHBondContact O-N 3.29Å; L954-M957 VanDerWaalsContact O-N 3.16Å; L954-E958 WeakPolarHBondContact O-CB 3.43Å; L954-E958 PolarHBondContact O-N 3Å
955	F	73.3	Confident	70.5	Confident	139 Å²	139	108.2 Å²	108.2	61%	0.61	55%	0.551	S	S	*	*	H	α-helix	trans	-62.9	-36.4	174.5	-88.5	-64.2	0	0	0	111.9	H951 F959	H951-F955 HydrophobicContact CB-CD2 4.27Å; H951-F955 HydrophobicContact CB-CE2 4.49Å; H951-F955 VanDerWaalsContact O-CB 3.23Å; H951-F955 WeakPolarHBondContact O-CB 3.3Å; H951-F955 WeakPolarHBondContact O-CD2 3.4Å; H951-F955 PolarHBondContact O-N 3.29Å; F955-F959 WeakPolarHBondContact O-CA 3.5Å; F955-F959 WeakPolarHBondContact O-CB 3.31Å; F955-F959 PolarHBondContact O-N 3.42Å
956	V	75.9	Confident	71.5	Confident	91 Å²	91	105.9 Å²	105.9	55%	0.552	54%	0.542	S	S	*	.	H	α-helix	trans	-67.4	-41.4	173	168.3	0	0	0	0	110.6	S952 L954 F959 C960	S952-V956 WeakPolarHBondContact O-CB 3.33Å; S952-V956 VanDerWaalsContact O-CG2 3.25Å; S952-V956 WeakPolarHBondContact O-CG2 3.46Å; S952-V956 PolarHBondContact O-N 3.01Å; L954-V956 VanDerWaalsContact C-N 3.33Å; L954-V956 PolarHBondContact O-N 3.14Å; V956-F959 PolarHBondContact O-N 3.07Å; V956-C960 VanDerWaalsContact O-CB 3.26Å; V956-C960 WeakPolarHBondContact O-CB 3.38Å; V956-C960 PolarHBondContact O-N 3.19Å; V956-C960 PolarHBondContact O-SG 3.44Å; V956-C960 VanDerWaalsContact O-SG 3.32Å
957	M	75	Confident	72.4	Confident	116 Å²	116	102.7 Å²	102.7	57%	0.571	53%	0.532	S	S	*	.	H	α-helix	trans	-64.5	-45.4	174.8	-76.9	-64.2	-62.9	0	0	112.6	G953 L954 C960 L961	G953-M957 WeakPolarHBondContact O-CG 3.18Å; G953-M957 PolarHBondContact O-N 2.89Å; L954-M957 CarbonylContact O-C 3.59Å; L954-M957 PolarHBondContact O-N 3.29Å; L954-M957 VanDerWaalsContact O-N 3.16Å; M957-C960 PolarHBondContact O-N 3Å; M957-L961 WeakPolarHBondContact O-CB 3.11Å; M957-L961 WeakPolarHBondContact O-CG 3.3Å; M957-L961 PolarHBondContact O-N 3.04Å
958	E	77.4	Confident	73	Confident	111 Å²	111	100 Å²	100	52%	0.519	53%	0.526	S	S	.	.	H	α-helix	trans	-67.4	-36.7	175.3	-73.5	-163.1	165.1	0	0	112.1	L954 L961 A962	L954-E958 WeakPolarHBondContact O-CB 3.43Å; L954-E958 PolarHBondContact O-N 3Å; E958-L961 PolarHBondContact O-N 3.32Å; E958-A962 WeakPolarHBondContact O-CA 3.44Å; E958-A962 WeakPolarHBondContact O-CB 3.05Å; E958-A962 PolarHBondContact O-N 3.24Å
959	F	76.9	Confident	73.4	Confident	153 Å²	153	97.5 Å²	97.5	67%	0.671	52%	0.516	S	S	*	.	H	α-helix	trans	-70.9	-33.5	174.5	-166.4	-91.9	0	0	0	111.5	F955 V956 S963	F955-F959 WeakPolarHBondContact O-CA 3.5Å; F955-F959 WeakPolarHBondContact O-CB 3.31Å; F955-F959 PolarHBondContact O-N 3.42Å; V956-F959 PolarHBondContact O-N 3.07Å; F959-S963 WeakPolarHBondContact O-CB 3.15Å; F959-S963 PolarHBondContact O-N 3.37Å; F959-S963 PolarHBondContact O-OG 3.28Å
960	C	75.9	Confident	73.7	Confident	65 Å²	65	95.2 Å²	95.2	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-68	-39.6	169.9	-78.6	0	0	0	0	112.2	V956 M957 S963 S964	V956-C960 VanDerWaalsContact O-CB 3.26Å; V956-C960 WeakPolarHBondContact O-CB 3.38Å; V956-C960 PolarHBondContact O-N 3.19Å; V956-C960 PolarHBondContact O-SG 3.44Å; V956-C960 VanDerWaalsContact O-SG 3.32Å; M957-C960 PolarHBondContact O-N 3Å; C960-S963 WeakPolarHBondContact CA-OG 3.43Å; C960-S963 PolarHBondContact O-OG 3.39Å; C960-S964 WeakPolarHBondContact O-CB 3.35Å; C960-S964 PolarHBondContact O-N 3.44Å; C960-S964 PolarHBondContact O-OG 3.19Å
961	L	80.8	Confident	73.7	Confident	102 Å²	102	89.9 Å²	89.9	53%	0.534	50%	0.498	S	S	.	.	H	α-helix	trans	-68.7	-48.1	174.2	-74.9	167.6	0	0	0	111.4	M957 E958 S964 I965	M957-L961 WeakPolarHBondContact O-CB 3.11Å; M957-L961 WeakPolarHBondContact O-CG 3.3Å; M957-L961 PolarHBondContact O-N 3.04Å; E958-L961 PolarHBondContact O-N 3.32Å; L961-S964 CarbonylContact O-C 3.47Å; L961-S964 WeakPolarHBondContact O-CB 3.43Å; L961-S964 PolarHBondContact O-N 2.92Å; L961-I965 WeakPolarHBondContact O-CB 3.32Å; L961-I965 VanDerWaalsContact O-CG1 3.25Å; L961-I965 WeakPolarHBondContact O-CG1 3.15Å; L961-I965 PolarHBondContact O-N 3.3Å
962	A	78.9	Confident	73.1	Confident	47 Å²	47	91 Å²	91	39%	0.388	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-42.5	178.1	0	0	0	0	0	111.7	E958 S964 I965 V966	E958-A962 WeakPolarHBondContact O-CA 3.44Å; E958-A962 WeakPolarHBondContact O-CB 3.05Å; E958-A962 PolarHBondContact O-N 3.24Å; A962-S964 VanDerWaalsContact C-N 3.34Å; A962-I965 PolarHBondContact O-N 2.82Å; A962-V966 VanDerWaalsContact O-CB 3.31Å; A962-V966 WeakPolarHBondContact O-CB 3.37Å; A962-V966 VanDerWaalsContact O-CG2 3.25Å; A962-V966 WeakPolarHBondContact O-CG2 3.46Å; A962-V966 PolarHBondContact O-N 3.31Å
963	S	76.8	Confident	72.3	Confident	55 Å²	55	92.2 Å²	92.2	39%	0.385	52%	0.52	S	S	.	.	H	α-helix	trans	-68.6	-31.1	172.8	61.6	0	0	0	0	112.5	F959 C960 L967	F959-S963 WeakPolarHBondContact O-CB 3.15Å; F959-S963 PolarHBondContact O-N 3.37Å; F959-S963 PolarHBondContact O-OG 3.28Å; C960-S963 WeakPolarHBondContact CA-OG 3.43Å; C960-S963 PolarHBondContact O-OG 3.39Å; S963-L967 WeakPolarHBondContact O-CB 3.23Å; S963-L967 PolarHBondContact O-N 2.98Å
964	S	76.8	Confident	70.8	Confident	73 Å²	73	101.7 Å²	101.7	51%	0.51	54%	0.543	S	S	.	.	H	α-helix	trans	-66.6	-42.3	170	-63.2	0	0	0	0	111.8	C960 L961 A962 F968	C960-S964 WeakPolarHBondContact O-CB 3.35Å; C960-S964 PolarHBondContact O-N 3.44Å; C960-S964 PolarHBondContact O-OG 3.19Å; L961-S964 CarbonylContact O-C 3.47Å; L961-S964 WeakPolarHBondContact O-CB 3.43Å; L961-S964 PolarHBondContact O-N 2.92Å; A962-S964 VanDerWaalsContact C-N 3.34Å; S964-F968 VanDerWaalsContact O-CB 3.26Å; S964-F968 WeakPolarHBondContact O-CB 3.44Å; S964-F968 PolarHBondContact O-N 3.13Å
965	I	79.1	Confident	69.2	Low	108 Å²	108	101.6 Å²	101.6	55%	0.554	55%	0.55	S	S	*	*	H	α-helix	trans	-66.8	-46.7	176.6	-69.9	163.1	0	0	0	110.5	L961 A962 F968 T969	L961-I965 WeakPolarHBondContact O-CB 3.32Å; L961-I965 VanDerWaalsContact O-CG1 3.25Å; L961-I965 WeakPolarHBondContact O-CG1 3.15Å; L961-I965 PolarHBondContact O-N 3.3Å; A962-I965 PolarHBondContact O-N 2.82Å; I965-F968 CarbonylContact O-C 3.12Å; I965-F968 WeakPolarHBondContact O-CB 3.34Å; I965-F968 PolarHBondContact O-N 2.95Å; I965-F968 VanDerWaalsContact O-N 3.13Å; I965-T969 HydrophobicContact CG2-CG2 4.5Å; I965-T969 WeakPolarHBondContact O-CG2 3.04Å; I965-T969 PolarHBondContact O-N 3.42Å; I965-T969 PolarHBondContact O-OG1 3.04Å
966	V	76.1	Confident	67.6	Low	86 Å²	86	100.9 Å²	100.9	52%	0.521	56%	0.557	S	S	.	*	H	α-helix	trans	-64.7	-40	176.5	169.8	0	0	0	0	111	A962 F968 T969 V970	A962-V966 VanDerWaalsContact O-CB 3.31Å; A962-V966 WeakPolarHBondContact O-CB 3.37Å; A962-V966 VanDerWaalsContact O-CG2 3.25Å; A962-V966 WeakPolarHBondContact O-CG2 3.46Å; A962-V966 PolarHBondContact O-N 3.31Å; V966-F968 VanDerWaalsContact C-N 3.31Å; V966-F968 PolarHBondContact O-N 2.59Å; V966-T969 WeakPolarHBondContact CA-OG1 3.49Å; V966-T969 PolarHBondContact O-N 3.33Å; V966-T969 PolarHBondContact O-OG1 3.12Å; V966-V970 HydrophobicContact CG1-CG2 4.13Å; V966-V970 WeakPolarHBondContact O-CB 3.17Å; V966-V970 WeakPolarHBondContact O-CG2 2.98Å; V966-V970 PolarHBondContact O-N 3.14Å
967	L	72.2	Confident	66.2	Low	105 Å²	105	102 Å²	102	55%	0.55	57%	0.569	S	S	.	*	H	α-helix	trans	-64.2	-38.2	172.4	-175.2	64.1	0	0	0	110.9	S963 L971	S963-L967 WeakPolarHBondContact O-CB 3.23Å; S963-L967 PolarHBondContact O-N 2.98Å; L967-L971 HydrophobicContact CD1-CD1 3.8Å; L967-L971 HydrophobicContact CD1-CG 4.01Å; L967-L971 HydrophobicContact CG-CD1 3.81Å; L967-L971 HydrophobicContact CG-CG 4.35Å; L967-L971 WeakPolarHBondContact O-CB 3.44Å; L967-L971 WeakPolarHBondContact O-CG 3.36Å; L967-L971 PolarHBondContact O-N 2.96Å
968	F	71.1	Confident	64.7	Low	127 Å²	127	108.7 Å²	108.7	56%	0.557	59%	0.588	S	S	*	*	H	α-helix	trans	-69.1	-40.5	176.8	-162.6	-93.7	0	0	0	112.5	L241 S964 I965 V966 S972	L241-F968 HydrophobicContact CD2-CD2 3.97Å; L241-F968 HydrophobicContact CD2-CE2 4.04Å; S964-F968 VanDerWaalsContact O-CB 3.26Å; S964-F968 WeakPolarHBondContact O-CB 3.44Å; S964-F968 PolarHBondContact O-N 3.13Å; I965-F968 CarbonylContact O-C 3.12Å; I965-F968 WeakPolarHBondContact O-CB 3.34Å; I965-F968 PolarHBondContact O-N 2.95Å; I965-F968 VanDerWaalsContact O-N 3.13Å; V966-F968 VanDerWaalsContact C-N 3.31Å; V966-F968 PolarHBondContact O-N 2.59Å; F968-S972 WeakPolarHBondContact O-CB 3.31Å; F968-S972 PolarHBondContact O-N 3.34Å; F968-S972 PolarHBondContact O-OG 3.08Å
969	T	69.6	Low	63.4	Low	72 Å²	72	110.2 Å²	110.2	44%	0.442	60%	0.599	S	S	.	*	H	α-helix	trans	-73.1	-37.5	176.1	57.2	0	0	0	0	112.2	I965 V966 S972 S973	I965-T969 HydrophobicContact CG2-CG2 4.5Å; I965-T969 WeakPolarHBondContact O-CG2 3.04Å; I965-T969 PolarHBondContact O-N 3.42Å; I965-T969 PolarHBondContact O-OG1 3.04Å; V966-T969 WeakPolarHBondContact CA-OG1 3.49Å; V966-T969 PolarHBondContact O-N 3.33Å; V966-T969 PolarHBondContact O-OG1 3.12Å; T969-S972 WeakPolarHBondContact CA-OG 3.4Å; T969-S972 PolarHBondContact O-OG 2.97Å; T969-S973 WeakPolarHBondContact O-CA 3.3Å; T969-S973 WeakPolarHBondContact O-CB 3.46Å; T969-S973 PolarHBondContact O-N 2.97Å
970	V	65.5	Low	62	Low	96 Å²	96	111.9 Å²	111.9	58%	0.582	60%	0.601	S	S	*	*	H	α-helix	trans	-71.3	-33.3	174.9	172.3	0	0	0	0	112.1	V966	V966-V970 HydrophobicContact CG1-CG2 4.13Å; V966-V970 WeakPolarHBondContact O-CB 3.17Å; V966-V970 WeakPolarHBondContact O-CG2 2.98Å; V966-V970 PolarHBondContact O-N 3.14Å
971	L	62.2	Low	60.7	Low	93 Å²	93	120 Å²	120	49%	0.487	62%	0.622	S	S	.	*	H	α-helix	trans	-80.3	-24.5	174.9	-69	176.8	0	0	0	113.7	L967	L967-L971 HydrophobicContact CD1-CD1 3.8Å; L967-L971 HydrophobicContact CD1-CG 4.01Å; L967-L971 HydrophobicContact CG-CD1 3.81Å; L967-L971 HydrophobicContact CG-CG 4.35Å; L967-L971 WeakPolarHBondContact O-CB 3.44Å; L967-L971 WeakPolarHBondContact O-CG 3.36Å; L967-L971 PolarHBondContact O-N 2.96Å
972	S	57.6	Low	59.6	Low	79 Å²	79	118.1 Å²	118.1	55%	0.552	62%	0.618	S	S	*	*	H	α-helix	trans	-83.7	-32.2	170.8	53.3	0	0	0	0	112.7	F968 T969 R974	F968-S972 WeakPolarHBondContact O-CB 3.31Å; F968-S972 PolarHBondContact O-N 3.34Å; F968-S972 PolarHBondContact O-OG 3.08Å; T969-S972 WeakPolarHBondContact CA-OG 3.4Å; T969-S972 PolarHBondContact O-OG 2.97Å; S972-R974 PolarHBondContact O-N 3.49Å
973	S	50.1	Low	58.8	Low	84 Å²	84	119.8 Å²	119.8	59%	0.587	62%	0.62	S	S	*	*	S	Bend	trans	-77.5	80.6	172.9	-175.1	0	0	0	0	111.9	T969 S975	T969-S973 WeakPolarHBondContact O-CA 3.3Å; T969-S973 WeakPolarHBondContact O-CB 3.46Å; T969-S973 PolarHBondContact O-N 2.97Å; S973-S975 VanDerWaalsContact C-N 3.35Å; S973-S975 PolarHBondContact O-N 2.85Å
974	R	41.1	Very low	58	Low	240 Å²	240	120.4 Å²	120.4	91%	0.906	62%	0.622	S	S	*	*			trans	-66.2	78.4	174.9	-71.9	177.9	163.1	-175.1	-4.4	113.3	S972	S972-R974 PolarHBondContact O-N 3.49Å
975	S	41	Very low	56.8	Low	91 Å²	91	118.2 Å²	118.2	64%	0.636	61%	0.608	S	S	*	*			trans	-162.7	150.2	154.4	-150.4	0	0	0	0	116.2	S973	S973-S975 VanDerWaalsContact C-N 3.35Å; S973-S975 PolarHBondContact O-N 2.85Å
976	T	40	Very low	55.7	Low	124 Å²	124	119.5 Å²	119.5	76%	0.761	61%	0.61	S	S	*	*			trans	73.2	149.8	163.5	73.3	0	0	0	0	121
977	S	46.8	Very low	55.2	Low	115 Å²	115	119.7 Å²	119.7	80%	0.804	61%	0.611	S	S	*	*			trans	67	122	157.3	-53.9	0	0	0	0	120
978	R	43.6	Very low	54.6	Low	256 Å²	256	116.5 Å²	116.5	97%	0.966	60%	0.595	S	S	*	*			trans	-95.1	111.6	176.9	-59.1	173	-175.8	172.7	0.8	110.8
979	L	50.1	Low	54.2	Low	143 Å²	143	115 Å²	115	75%	0.749	59%	0.591	S	S	*	*			trans	-85.3	137.9	160.6	-157.5	70.5	0	0	0	109.5	V984	L979-V984 HydrophobicContact CD2-CG2 3.76Å
980	R	46.1	Very low	53.7	Low	189 Å²	189	115.8 Å²	115.8	71%	0.713	59%	0.593	S	S	*	*			trans	-81.1	130.3	-172.6	-137.9	178.7	-175.3	172.8	0.6	110.5	S982 D983	R980-S982 PolarHBondContact O-N 3.5Å; R980-S982 VanDerWaalsContact O-N 3.1Å; R980-D983 WeakPolarHBondContact CB-OD2 3.42Å; R980-D983 PolarHBondContact O-N 3.37Å
981	R	48.8	Very low	53.5	Low	234 Å²	234	115.4 Å²	115.4	88%	0.883	59%	0.591	S	S	*	*	H	α-helix	trans	-60.9	-21.4	-176.7	-66.8	-177.8	-177.2	156.5	1.9	114.4	D983 A985	R981-D983 VanDerWaalsContact C-N 3.32Å; R981-A985 WeakPolarHBondContact O-CB 3.47Å
982	S	57.6	Low	53	Low	63 Å²	63	115 Å²	115	44%	0.441	59%	0.588	S	S	.	*	H	α-helix	trans	-64.2	-35.5	174.1	40.3	0	0	0	0	113	R980 K986	R980-S982 PolarHBondContact O-N 3.5Å; R980-S982 VanDerWaalsContact O-N 3.1Å; S982-K986 PolarHBondContact O-N 3.11Å
983	D	63	Low	52.9	Low	82 Å²	82	116.4 Å²	116.4	44%	0.439	59%	0.588	S	S	.	*	H	α-helix	trans	-88.4	-39.8	-158.5	-47.6	-19.2	0	0	0	109.8	R980 R981 A985 K986 V987	R980-D983 WeakPolarHBondContact CB-OD2 3.42Å; R980-D983 PolarHBondContact O-N 3.37Å; R981-D983 VanDerWaalsContact C-N 3.32Å; D983-A985 VanDerWaalsContact C-N 3.33Å; D983-K986 WeakPolarHBondContact O-CB 3.47Å; D983-K986 PolarHBondContact O-N 3.35Å; D983-V987 WeakPolarHBondContact O-CG2 3.3Å; D983-V987 PolarHBondContact O-N 3.15Å
984	V	60.2	Low	52.8	Low	68 Å²	68	115.2 Å²	115.2	41%	0.412	58%	0.579	S	S	.	*	H	α-helix	trans	-62.3	-39.8	168.4	-175.8	0	0	0	0	111.2	L979 K986 V987 V988	L979-V984 HydrophobicContact CD2-CG2 3.76Å; V984-K986 VanDerWaalsContact C-N 3.28Å; V984-K986 PolarHBondContact O-N 3.23Å; V984-V987 PolarHBondContact O-N 3.32Å; V984-V988 HydrophobicContact CG1-CG2 4.39Å; V984-V988 WeakPolarHBondContact O-CG2 3.48Å; V984-V988 PolarHBondContact O-N 3.39Å
985	A	51.6	Low	53.2	Low	27 Å²	27	108.6 Å²	108.6	22%	0.223	56%	0.559	C	S	.	*	H	α-helix	trans	-62.6	-38.2	176.3	0	0	0	0	0	111.9	F300 R981 D983 M989	F300-A985 HydrophobicContact CD1-CB 4.38Å; F300-A985 HydrophobicContact CE1-CB 3.47Å; F300-A985 VanDerWaalsContact CE1-CB 3.47Å; F300-A985 HydrophobicContact CZ-CB 3.89Å; R981-A985 WeakPolarHBondContact O-CB 3.47Å; D983-A985 VanDerWaalsContact C-N 3.33Å; A985-M989 VanDerWaalsContact O-CG 3.3Å; A985-M989 WeakPolarHBondContact O-CG 3.32Å; A985-M989 PolarHBondContact O-N 3.08Å
986	K	55.8	Low	53.3	Low	136 Å²	136	109.9 Å²	109.9	59%	0.591	56%	0.556	S	S	*	*	H	α-helix	trans	-65.2	-52.1	175.1	-149.5	-170.6	174.9	-168.6	0	111.2	S982 D983 V984 V988 M989 D990	S982-K986 PolarHBondContact O-N 3.11Å; D983-K986 WeakPolarHBondContact O-CB 3.47Å; D983-K986 PolarHBondContact O-N 3.35Å; V984-K986 VanDerWaalsContact C-N 3.28Å; V984-K986 PolarHBondContact O-N 3.23Å; K986-V988 PolarHBondContact O-N 3.19Å; K986-M989 PolarHBondContact O-N 3.48Å; K986-M989 VanDerWaalsContact O-N 3.17Å; K986-D990 WeakPolarHBondContact O-CB 3.2Å; K986-D990 PolarHBondContact O-N 3.04Å
987	V	65.6	Low	53.5	Low	90 Å²	90	106.4 Å²	106.4	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-57.8	-43.2	179.2	173	0	0	0	0	112.7	D983 V984 D990 V991	D983-V987 WeakPolarHBondContact O-CG2 3.3Å; D983-V987 PolarHBondContact O-N 3.15Å; V984-V987 PolarHBondContact O-N 3.32Å; V987-D990 PolarHBondContact O-N 2.99Å; V987-V991 HydrophobicContact CG1-CG2 4.43Å; V987-V991 WeakPolarHBondContact O-CB 3.4Å; V987-V991 VanDerWaalsContact O-CG2 3.3Å; V987-V991 WeakPolarHBondContact O-CG2 3.46Å; V987-V991 PolarHBondContact O-N 3.04Å
988	V	59.8	Low	53.5	Low	37 Å²	37	105 Å²	105	22%	0.224	52%	0.523	C	S	.	.	H	α-helix	trans	-65.1	-40.6	178.7	171.8	0	0	0	0	111.7	L299 V984 K986 L992	L299-V988 HydrophobicContact CD1-CG2 4.39Å; V984-V988 HydrophobicContact CG1-CG2 4.39Å; V984-V988 WeakPolarHBondContact O-CG2 3.48Å; V984-V988 PolarHBondContact O-N 3.39Å; K986-V988 PolarHBondContact O-N 3.19Å; V988-L992 HydrophobicContact CG1-CD1 4.05Å; V988-L992 WeakPolarHBondContact O-CB 3.49Å; V988-L992 WeakPolarHBondContact O-CG 3.34Å; V988-L992 PolarHBondContact O-N 3.19Å; V988-L992 VanDerWaalsContact O-N 3.1Å
989	M	61.2	Low	53.5	Low	97 Å²	97	100.7 Å²	100.7	48%	0.478	51%	0.506	S	S	.	.	H	α-helix	trans	-69.9	-42.2	175.1	-69.2	-61.2	-59.3	0	0	112	A985 K986 V991 L992 M993	A985-M989 VanDerWaalsContact O-CG 3.3Å; A985-M989 WeakPolarHBondContact O-CG 3.32Å; A985-M989 PolarHBondContact O-N 3.08Å; K986-M989 PolarHBondContact O-N 3.48Å; K986-M989 VanDerWaalsContact O-N 3.17Å; M989-V991 VanDerWaalsContact C-N 3.32Å; M989-V991 PolarHBondContact O-N 3.1Å; M989-L992 PolarHBondContact O-N 2.92Å; M989-M993 WeakPolarHBondContact O-CB 3.46Å; M989-M993 WeakPolarHBondContact O-CG 3.39Å; M989-M993 PolarHBondContact O-N 2.55Å
990	D	59.2	Low	53.1	Low	87 Å²	87	98.1 Å²	98.1	47%	0.465	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-39.2	179.2	-67.8	-20.8	0	0	0	110.5	K986 V987 S994	K986-D990 WeakPolarHBondContact O-CB 3.2Å; K986-D990 PolarHBondContact O-N 3.04Å; V987-D990 PolarHBondContact O-N 2.99Å; D990-S994 WeakPolarHBondContact O-CB 3.35Å; D990-S994 PolarHBondContact O-N 3.13Å
991	V	62.6	Low	52.8	Low	89 Å²	89	94.9 Å²	94.9	54%	0.539	49%	0.49	S	S	.	.	H	α-helix	trans	-67.1	-47.9	173.7	169.3	0	0	0	0	112.1	V987 M989 M993 S994 E995	V987-V991 HydrophobicContact CG1-CG2 4.43Å; V987-V991 WeakPolarHBondContact O-CB 3.4Å; V987-V991 VanDerWaalsContact O-CG2 3.3Å; V987-V991 WeakPolarHBondContact O-CG2 3.46Å; V987-V991 PolarHBondContact O-N 3.04Å; M989-V991 VanDerWaalsContact C-N 3.32Å; M989-V991 PolarHBondContact O-N 3.1Å; V991-M993 VanDerWaalsContact C-N 3.28Å; V991-M993 PolarHBondContact O-N 3.09Å; V991-S994 PolarHBondContact O-N 3.03Å; V991-E995 PolarHBondContact O-N 3.49Å; V991-E995 VanDerWaalsContact O-N 3.15Å
992	L	51	Low	52.4	Low	83 Å²	83	86.5 Å²	86.5	44%	0.435	47%	0.47	S	S	.	.	H	α-helix	trans	-61.5	-36.4	178	-76.1	168	0	0	0	112.3	V988 M989 M996	V988-L992 HydrophobicContact CG1-CD1 4.05Å; V988-L992 WeakPolarHBondContact O-CB 3.49Å; V988-L992 WeakPolarHBondContact O-CG 3.34Å; V988-L992 PolarHBondContact O-N 3.19Å; V988-L992 VanDerWaalsContact O-N 3.1Å; M989-L992 PolarHBondContact O-N 2.92Å; L992-M996 VanDerWaalsContact O-CE 3.3Å; L992-M996 WeakPolarHBondContact O-CE 3.18Å
993	M	55.9	Low	51.5	Low	110 Å²	110	86.9 Å²	86.9	54%	0.542	47%	0.473	S	S	.	.	H	α-helix	trans	-77.6	-32.7	176.5	-65.3	-65.2	-74.9	0	0	112.3	M989 V991 M996 S997	M989-M993 WeakPolarHBondContact O-CB 3.46Å; M989-M993 WeakPolarHBondContact O-CG 3.39Å; M989-M993 PolarHBondContact O-N 2.55Å; V991-M993 VanDerWaalsContact C-N 3.28Å; V991-M993 PolarHBondContact O-N 3.09Å; M993-M996 PolarHBondContact O-N 3.19Å; M993-M996 HydrophobicContact SD-CE 3.64Å; M993-S997 PolarHBondContact O-N 3.24Å; M993-S997 PolarHBondContact O-OG 3.44Å
994	S	47.2	Very low	50.3	Low	58 Å²	58	90.4 Å²	90.4	41%	0.406	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-45.4	176.7	-175.9	0	0	0	0	112.5	D990 V991 M996 S997 V998	D990-S994 WeakPolarHBondContact O-CB 3.35Å; D990-S994 PolarHBondContact O-N 3.13Å; V991-S994 PolarHBondContact O-N 3.03Å; S994-M996 PolarHBondContact O-N 2.98Å; S994-S997 PolarHBondContact O-N 2.78Å; S994-S997 PolarHBondContact O-OG 3.11Å; S994-S997 VanDerWaalsContact O-OG 3.13Å; S994-V998 WeakPolarHBondContact O-CB 3.33Å; S994-V998 VanDerWaalsContact O-CG2 3.29Å; S994-V998 WeakPolarHBondContact O-CG2 3.19Å; S994-V998 PolarHBondContact O-N 3.09Å
995	E	50.6	Low	49.1	Very low	102 Å²	102	93.4 Å²	93.4	48%	0.477	50%	0.495	S	S	.	.	H	α-helix	trans	-59.9	-34.8	176	-86.4	-78.3	114.6	0	0	112	V991 R999	V991-E995 PolarHBondContact O-N 3.49Å; V991-E995 VanDerWaalsContact O-N 3.15Å; E995-R999 PolarHBondContact O-N 2.76Å; E995-R999 IonicContact OE1-NH2 2.61Å; E995-R999 IonicContact OE2-CZ 3.21Å; E995-R999 IonicContact OE2-NH1 3.02Å; E995-R999 PolarHBondContact OE2-NH1 3.26Å; E995-R999 IonicContact OE2-NH2 3.72Å; E995-R999 PolarHBondContact OE2-NH2 3.04Å
996	M	43.4	Very low	48.5	Very low	117 Å²	117	100.8 Å²	100.8	58%	0.576	52%	0.524	S	S	*	.	H	α-helix	trans	-74.6	-41.1	175.7	-72.2	-171.3	-78.4	0	0	112.8	L992 M993 S994 T1000	L992-M996 VanDerWaalsContact O-CE 3.3Å; L992-M996 WeakPolarHBondContact O-CE 3.18Å; M993-M996 PolarHBondContact O-N 3.19Å; M993-M996 HydrophobicContact SD-CE 3.64Å; S994-M996 PolarHBondContact O-N 2.98Å; M996-T1000 WeakPolarHBondContact O-CB 3.08Å; M996-T1000 PolarHBondContact O-N 3.33Å; M996-T1000 PolarHBondContact O-OG1 3.17Å
997	S	43.6	Very low	47.6	Very low	51 Å²	51	100.1 Å²	100.1	36%	0.357	53%	0.528	S	S	.	.	H	α-helix	trans	-70.6	-42.4	178.9	61	0	0	0	0	112.4	M993 S994 T1000 Q1001	M993-S997 PolarHBondContact O-N 3.24Å; M993-S997 PolarHBondContact O-OG 3.44Å; S994-S997 PolarHBondContact O-N 2.78Å; S994-S997 PolarHBondContact O-OG 3.11Å; S994-S997 VanDerWaalsContact O-OG 3.13Å; S997-T1000 PolarHBondContact O-N 3.17Å; S997-T1000 VanDerWaalsContact O-N 3.16Å; S997-Q1001 PolarHBondContact O-N 3.45Å
998	V	45.8	Very low	46.1	Very low	85 Å²	85	99.7 Å²	99.7	52%	0.515	53%	0.528	S	S	.	.	H	α-helix	trans	-63.1	-46.3	-178.3	171.6	0	0	0	0	111.4	S994 T1000 Q1001 A1002	S994-V998 WeakPolarHBondContact O-CB 3.33Å; S994-V998 VanDerWaalsContact O-CG2 3.29Å; S994-V998 WeakPolarHBondContact O-CG2 3.19Å; S994-V998 PolarHBondContact O-N 3.09Å; V998-T1000 VanDerWaalsContact C-N 3.28Å; V998-T1000 PolarHBondContact O-N 3.46Å; V998-Q1001 PolarHBondContact O-N 3.19Å; V998-A1002 WeakPolarHBondContact O-CB 3.18Å; V998-A1002 PolarHBondContact O-N 3.21Å
999	R	44.4	Very low	44.9	Very low	166 Å²	166	105.1 Å²	105.1	63%	0.626	56%	0.556	S	S	*	*	H	α-helix	trans	-66.8	-27.9	175.8	-69.2	-160.8	-177.9	89.5	15.3	113.3	E995 S1003	E995-R999 PolarHBondContact O-N 2.76Å; E995-R999 IonicContact OE1-NH2 2.61Å; E995-R999 IonicContact OE2-CZ 3.21Å; E995-R999 IonicContact OE2-NH1 3.02Å; E995-R999 PolarHBondContact OE2-NH1 3.26Å; E995-R999 IonicContact OE2-NH2 3.72Å; E995-R999 PolarHBondContact OE2-NH2 3.04Å; R999-S1003 PolarHBondContact O-OG 2.92Å
1000	T	41.6	Very low	43.6	Very low	90 Å²	90	109.4 Å²	109.4	55%	0.552	58%	0.575	S	S	*	*	H	α-helix	trans	-79.4	-35.1	177.6	-52.4	0	0	0	0	112.6	M996 S997 V998 S1003	M996-T1000 WeakPolarHBondContact O-CB 3.08Å; M996-T1000 PolarHBondContact O-N 3.33Å; M996-T1000 PolarHBondContact O-OG1 3.17Å; S997-T1000 PolarHBondContact O-N 3.17Å; S997-T1000 VanDerWaalsContact O-N 3.16Å; V998-T1000 VanDerWaalsContact C-N 3.28Å; V998-T1000 PolarHBondContact O-N 3.46Å; T1000-S1003 PolarHBondContact O-OG 3.11Å
1001	Q	40.6	Very low	42.4	Very low	121 Å²	121	111.7 Å²	111.7	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-80.1	-31.9	177.4	-71.4	-174.5	-92.8	0	0	113.1	S997 V998 S1003 Y1004 L1005	S997-Q1001 PolarHBondContact O-N 3.45Å; V998-Q1001 PolarHBondContact O-N 3.19Å; Q1001-S1003 VanDerWaalsContact C-N 3.29Å; Q1001-S1003 PolarHBondContact O-N 3.38Å; Q1001-Y1004 PolarHBondContact O-N 3.29Å; Q1001-L1005 PolarHBondContact O-N 3.36Å
1002	A	39.9	Very low	40.8	Very low	57 Å²	57	118.2 Å²	118.2	47%	0.471	61%	0.607	S	S	.	*	H	α-helix	trans	-56.3	-44.7	173.5	0	0	0	0	0	111.3	V998 Y1004	V998-A1002 WeakPolarHBondContact O-CB 3.18Å; V998-A1002 PolarHBondContact O-N 3.21Å; A1002-Y1004 PolarHBondContact O-N 3.24Å; A1002-Y1004 VanDerWaalsContact O-N 3.1Å
1003	S	39.3	Very low	39.8	Very low	72 Å²	72	125.3 Å²	125.3	50%	0.503	63%	0.628	S	S	.	*	H	α-helix	trans	-68.9	-0.8	174.8	55.8	0	0	0	0	115.7	R999 T1000 Q1001	R999-S1003 PolarHBondContact O-OG 2.92Å; T1000-S1003 PolarHBondContact O-OG 3.11Å; Q1001-S1003 VanDerWaalsContact C-N 3.29Å; Q1001-S1003 PolarHBondContact O-N 3.38Å
1004	Y	37.3	Very low	38.7	Very low	155 Å²	155	126.4 Å²	126.4	61%	0.608	64%	0.64	S	S	*	*	H	α-helix	trans	-115.9	-21.5	-177	-134.5	-79	0	0	0	113.9	Q1001 A1002	Q1001-Y1004 PolarHBondContact O-N 3.29Å; A1002-Y1004 PolarHBondContact O-N 3.24Å; A1002-Y1004 VanDerWaalsContact O-N 3.1Å
1005	L	35.7	Very low	38	Very low	132 Å²	132	130.3 Å²	130.3	69%	0.691	66%	0.657	S	S	*	*	H	α-helix	trans	-91.3	-26.2	176.1	-86.6	161.2	0	0	0	113.4	Q1001 N1007	Q1001-L1005 PolarHBondContact O-N 3.36Å; L1005-N1007 PolarHBondContact O-N 3.2Å
1006	Q	38.1	Very low	37.5	Very low	181 Å²	181	131.6 Å²	131.6	85%	0.846	67%	0.671	S	S	*	*	S	Bend	trans	-80.6	23.1	-179	-155.1	172.1	1.5	0	0	113.6
1007	N	37.5	Very low	36.9	Very low	123 Å²	123	137 Å²	137	66%	0.658	69%	0.685	S	S	*	*	S	Bend	trans	-145.8	41.5	-171.5	-146.8	-20.4	0	0	0	111.1	L1005	L1005-N1007 PolarHBondContact O-N 3.2Å
1008	S	33.5	Very low	36.6	Very low	80 Å²	80	139.8 Å²	139.8	56%	0.559	70%	0.702	S	S	*	*	S	Bend	trans	-141.3	-1.4	-176.8	-66.7	0	0	0	0	114.9
1009	D	33.8	Very low	36	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	72%	0.715	S	S	*	*	S	Bend	trans	-94.8	-4	179.1	-74.6	-55.5	0	0	0	114.3
1010	E	34.2	Very low	35.8	Very low	188 Å²	188	138.8 Å²	138.8	88%	0.879	72%	0.722	S	S	*	*	S	Bend	trans	-105	20.4	-174.1	-159.7	141.4	-140	0	0	114
1011	V	33.7	Very low	35.5	Very low	134 Å²	134	140 Å²	140	81%	0.812	73%	0.734	S	S	*	*	S	Bend	trans	-126.1	64	176.6	-168.8	0	0	0	0	110.8
1012	R	30.3	Very low	35.1	Very low	226 Å²	226	138.8 Å²	138.8	85%	0.853	74%	0.739	S	S	*	*			trans	-160.4	31.3	172	-143.2	-175.5	-62.9	167.1	5.6	117.4
1013	R	29.9	Very low	34.9	Very low	232 Å²	232	142.2 Å²	142.2	88%	0.875	75%	0.754	S	S	*	*			trans	-140.8	155.4	168.8	-63.3	-168.4	-163.9	91.5	3.1	110.6
1014	V	32.7	Very low	34.6	Very low	133 Å²	133	143.2 Å²	143.2	81%	0.806	77%	0.766	S	S	*	*			trans	67	118.8	-156.9	-167.1	0	0	0	0	108.2
1015	D	32.7	Very low	34.5	Very low	141 Å²	141	140.4 Å²	140.4	75%	0.754	77%	0.769	S	S	*	*				-150.4	170.3	51.6	-143.9	-23.8	0	0	0	115.8
1016	V	38.6	Very low	34.3	Very low	129 Å²	129	140.9 Å²	140.9	78%	0.782	77%	0.772	S	S	*	*			trans	75	140.7	161.5	179.9	0	0	0	0	120.1
1017	R	31.8	Very low	34	Very low	229 Å²	229	142.2 Å²	142.2	86%	0.864	78%	0.775	S	S	*	*			trans	-109	-179.3	178.4	-68.4	-178.6	-179.5	178.5	0.8	110.5
1018	P	37.6	Very low	33.7	Very low	111 Å²	111	141 Å²	141	72%	0.721	78%	0.777	S	S	*	*			cis	-131.6	-167.4	-44.4	35.8	-17.5	0	0	0	112.7
1019	S	33.5	Very low	33.6	Very low	113 Å²	113	142 Å²	142	79%	0.79	78%	0.783	S	S	*	*			trans	100.1	147.4	156.4	-56.6	0	0	0	0	118.1
1020	P	40.6	Very low	33.5	Very low	117 Å²	117	146.3 Å²	146.3	76%	0.76	79%	0.788	S	S	*	*			trans	-117.8	-174.9	-159.8	43.2	-31.2	0	0	0	115.1
1021	S	33.2	Very low	33.4	Very low	116 Å²	116	141.3 Å²	141.3	81%	0.811	78%	0.779	S	S	*	*			trans	74.5	151.3	180	88.6	0	0	0	0	114.2
1022	S	33	Very low	33.5	Very low	95 Å²	95	142.8 Å²	142.8	66%	0.664	78%	0.782	S	S	*	*			cis	-165.3	179.5	-21.3	48.7	0	0	0	0	108.8
1023	V	35.7	Very low	33.7	Very low	129 Å²	129	137.2 Å²	137.2	78%	0.782	77%	0.773	S	S	*	*			trans	61.2	94.2	169.1	-169.7	0	0	0	0	114.8
1024	A	33	Very low	33.8	Very low	93 Å²	93	133 Å²	133	77%	0.769	77%	0.768	S	S	*	*				77.4	145.6	65.7	0	0	0	0	0	116.7
1025	S	34.8	Very low	34.1	Very low	95 Å²	95	133.2 Å²	133.2	66%	0.664	77%	0.769	S	S	*	*			trans	77.1	92.7	158.1	-176.5	0	0	0	0	121.8
1026	N	31.9	Very low	34.1	Very low	143 Å²	143	133.6 Å²	133.6	77%	0.765	77%	0.771	S	S	*	*				69.8	157	122.8	-63.5	-53.5	0	0	0	123.1
1027	K	31.5	Very low	34	Very low	208 Å²	208	131.2 Å²	131.2	90%	0.904	77%	0.772	S	S	*	*			trans	72.8	159.8	167.4	-61.3	170.2	-178.1	172.4	0	116.2
1028	S	31.7	Very low	34.1	Very low	98 Å²	98	130.8 Å²	130.8	69%	0.685	78%	0.777	S	S	*	*			cis	-179.5	149.2	-35.3	-166.9	0	0	0	0	108.1
1029	S	32.2	Very low	34	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	78%	0.777	S	S	*	*			trans	55.5	106.7	151.8	-52.2	0	0	0	0	120.7
1030	R	31.5	Very low	34.1	Very low	243 Å²	243	133.7 Å²	133.7	92%	0.917	78%	0.784	S	S	*	*				168.4	133.9	122.6	-90.5	156.9	176.3	170.3	-1.7	108.7
1031	A	32.4	Very low	33.7	Very low	82 Å²	82	133.7 Å²	133.7	68%	0.678	78%	0.781	S	S	*	*			cis	83.1	104.7	29.6	0	0	0	0	0	115
1032	L	35.7	Very low	33.7	Very low	166 Å²	166	137.4 Å²	137.4	87%	0.869	78%	0.783	S	S	*	*			trans	-173.1	97.1	162.1	-94.7	149	0	0	0	105
1033	T	33	Very low	33.8	Very low	109 Å²	109	138.1 Å²	138.1	67%	0.669	78%	0.779	S	S	*	*				80.5	128.4	56.7	67.8	0	0	0	0	115.9
1034	N	32.3	Very low	33.6	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	78%	0.778	S	S	*	*			trans	68.6	158.3	166.6	-75.5	-44.2	0	0	0	116.7
1035	V	40.2	Very low	33.9	Very low	137 Å²	137	140.2 Å²	140.2	83%	0.83	78%	0.779	S	S	*	*			cis	-130.2	155.6	17.7	-174.9	0	0	0	0	112.6
1036	N	31.4	Very low	33.9	Very low	148 Å²	148	146.8 Å²	146.8	79%	0.791	79%	0.789	S	S	*	*			trans	-66	150.1	173.6	-65	-72.6	0	0	0	114.6
1037	G	37	Very low	34.1	Very low	79 Å²	79	145.9 Å²	145.9	81%	0.814	79%	0.794	S	S	*	*			trans	-155.7	103.9	174.4	0	0	0	0	0	115.5
1038	K	34	Very low	34.1	Very low	220 Å²	220	141 Å²	141	96%	0.957	79%	0.786	S	S	*	*			trans	-63.6	150.1	175.3	-54.6	152.2	-176.7	172.3	0	110.8
1039	G	35.4	Very low	34.3	Very low	71 Å²	71	148.3 Å²	148.3	73%	0.732	80%	0.799	S	S	*	*			cis	129.3	149	2.2	0	0	0	0	0	112.6
1040	K	35.2	Very low	34.2	Very low	215 Å²	215	149.5 Å²	149.5	94%	0.935	80%	0.802	S	S	*	*			trans	-162.4	155	158.4	-115.1	169.4	-173.5	178.4	0	112.3
1041	V	32.2	Very low	34.2	Very low	116 Å²	116	144.7 Å²	144.7	70%	0.703	79%	0.794	S	S	*	*			trans	-150.9	144.4	-159	166.1	0	0	0	0	110.9	L1043	V1041-L1043 HydrophobicContact CG1-CG 4.09Å
1042	F	33.1	Very low	34.1	Very low	195 Å²	195	151.2 Å²	151.2	86%	0.855	80%	0.801	S	S	*	*			trans	-162.8	102.8	150.6	-120.8	-90.2	0	0	0	107.2
1043	L	35.1	Very low	33.9	Very low	110 Å²	110	152.7 Å²	152.7	58%	0.576	80%	0.795	S	S	*	*				89.3	99	67.9	-76.6	169.9	0	0	0	114.5	V1041	V1041-L1043 HydrophobicContact CG1-CG 4.09Å
1044	L	33	Very low	34.2	Very low	143 Å²	143	153.3 Å²	153.3	75%	0.749	80%	0.799	S	S	*	*				41.4	150.8	112.5	-79.2	173.4	0	0	0	120.2
1045	P	38.8	Very low	34.3	Very low	123 Å²	123	152.9 Å²	152.9	80%	0.799	79%	0.792	S	S	*	*			cis	-143.8	169.7	44.9	41.5	-22.2	0	0	0	119.9
1046	R	33.3	Very low	34.1	Very low	232 Å²	232	151.2 Å²	151.2	88%	0.875	79%	0.793	S	S	*	*			trans	-73	156.5	158.9	-68.9	165	153.6	164	-9.7	110.6
1047	S	36.5	Very low	34.3	Very low	125 Å²	125	149.4 Å²	149.4	87%	0.874	79%	0.791	S	S	*	*			trans	-155.6	150	136.4	-164.1	0	0	0	0	111.6
1048	S	32.3	Very low	34.3	Very low	104 Å²	104	154.1 Å²	154.1	73%	0.727	80%	0.795	S	S	*	*			trans	-116.9	149.5	176.9	51.6	0	0	0	0	110.3
1049	R	35.8	Very low	34.3	Very low	252 Å²	252	155.1 Å²	155.1	95%	0.951	79%	0.792	S	S	*	*			trans	-164.4	146.7	151.7	-112.6	162.1	-166.5	-171.7	3	113
1050	T	30.2	Very low	34.3	Very low	125 Å²	125	161.6 Å²	161.6	77%	0.767	80%	0.8	S	S	*	*			trans	-93.3	144.4	172.6	42.5	0	0	0	0	110.3
1051	L	31.9	Very low	34.2	Very low	143 Å²	143	155 Å²	155	75%	0.749	79%	0.785	S	S	*	*			trans	-174	132	133.5	-124.2	69.1	0	0	0	114.8
1052	R	30.7	Very low	34.4	Very low	218 Å²	218	156.7 Å²	156.7	82%	0.823	79%	0.79	S	S	*	*			trans	34.2	129.4	134.7	-69.9	176.7	-177.4	-177.7	-0.2	122.6
1053	R	31.7	Very low	34.3	Very low	198 Å²	198	155.3 Å²	155.3	75%	0.747	79%	0.786	S	S	*	*			trans	64.8	132.9	130.2	-134.6	176.7	-172.2	164.3	4.1	117	E1055	R1053-E1055 IonicContact CZ-OE1 3.35Å; R1053-E1055 IonicContact NE-OE1 2.86Å; R1053-E1055 PolarHBondContact NE-OE1 3Å; R1053-E1055 IonicContact NE-OE2 3.59Å; R1053-E1055 IonicContact NH2-OE1 2.92Å; R1053-E1055 PolarHBondContact NH2-OE1 2.98Å; R1053-E1055 IonicContact NH2-OE2 3.94Å
1054	T	38.4	Very low	34.4	Very low	122 Å²	122	155.3 Å²	155.3	75%	0.748	79%	0.793	S	S	*	*			cis	-138.5	159	39.8	38.7	0	0	0	0	112.2
1055	E	33.6	Very low	34.4	Very low	134 Å²	134	157.1 Å²	157.1	63%	0.626	80%	0.797	S	S	*	*			cis	105.2	137.4	31.8	-121	163.5	-133.1	0	0	112.6	R1053	R1053-E1055 IonicContact CZ-OE1 3.35Å; R1053-E1055 IonicContact NE-OE1 2.86Å; R1053-E1055 PolarHBondContact NE-OE1 3Å; R1053-E1055 IonicContact NE-OE2 3.59Å; R1053-E1055 IonicContact NH2-OE1 2.92Å; R1053-E1055 PolarHBondContact NH2-OE1 2.98Å; R1053-E1055 IonicContact NH2-OE2 3.94Å
1056	A	36.6	Very low	34	Very low	103 Å²	103	162.8 Å²	162.8	85%	0.851	80%	0.803	S	S	*	*			trans	65.9	154.3	177.1	0	0	0	0	0	118.4
1057	S	35.7	Very low	33.9	Very low	109 Å²	109	159.3 Å²	159.3	76%	0.762	80%	0.801	S	S	*	*			cis	-167.6	163.3	-31	-148.1	0	0	0	0	107
1058	M	37	Very low	33.8	Very low	179 Å²	179	165 Å²	165	88%	0.882	80%	0.803	S	S	*	*			cis	-137.7	170.8	16.9	-78.2	-173.2	169.8	0	0	112.6
1059	R	33.4	Very low	33.5	Very low	240 Å²	240	165.5 Å²	165.5	91%	0.906	81%	0.805	S	S	*	*			trans	-105.8	170.5	168.1	-66.8	175.9	171	177.2	-3.9	111.5
1060	K	35.7	Very low	33.5	Very low	208 Å²	208	164 Å²	164	90%	0.904	81%	0.806	S	S	*	*			trans	113.9	153	153.2	-67.3	179.8	176.9	-176.6	0	114.6
1061	A	33.3	Very low	33.7	Very low	75 Å²	75	163.5 Å²	163.5	62%	0.62	81%	0.808	S	S	*	*			cis	-176.7	168.6	-28.2	0	0	0	0	0	108.4
1062	L	36	Very low	33.9	Very low	153 Å²	153	160.1 Å²	160.1	80%	0.801	81%	0.808	S	S	*	*			trans	66	158.5	166	-88.8	65	0	0	0	114.6
1063	E	31.8	Very low	34.2	Very low	165 Å²	165	158 Å²	158	77%	0.771	81%	0.807	S	S	*	*			cis	-164.8	156.6	-17	-169.4	159.9	-159.1	0	0	107.8
1064	P	36.8	Very low	34.4	Very low	110 Å²	110	158.6 Å²	158.6	71%	0.714	81%	0.809	S	S	*	*			trans	-92.4	169.2	-174.3	35.7	-35	0	0	0	115.5
1065	Q	32.5	Very low	34.3	Very low	181 Å²	181	164.7 Å²	164.7	85%	0.846	82%	0.819	S	S	*	*			trans	72.8	121.7	173.9	-51.1	-173.9	5.2	0	0	118.4
1066	R	31.9	Very low	34.5	Very low	242 Å²	242	165.2 Å²	165.2	91%	0.913	83%	0.826	S	S	*	*				-175.4	158.9	111.7	-101.8	174.3	-178.1	-158.1	0.3	113.1
1067	L	30.6	Very low	34.8	Very low	159 Å²	159	164.7 Å²	164.7	83%	0.832	82%	0.821	S	S	*	*			trans	-80	149	170.1	-62.5	71.9	0	0	0	110.2
1068	R	33.2	Very low	35	Very low	246 Å²	246	166.6 Å²	166.6	93%	0.928	82%	0.823	S	S	*	*				-177.6	164.3	112	-97.9	170.9	-163.4	-153.7	4	113.5
1069	C	27.5	Very low	35.1	Very low	114 Å²	114	163.1 Å²	163.1	77%	0.77	82%	0.816	S	S	*	*			trans	-69.1	157.9	-172.8	-45.3	0	0	0	0	114.1
1070	F	36	Very low	35.4	Very low	219 Å²	219	159.4 Å²	159.4	96%	0.961	81%	0.813	S	S	*	*			trans	-137.4	144.8	144.5	-116.9	-86.4	0	0	0	109.4
1071	S	33.9	Very low	35.7	Very low	115 Å²	115	153.9 Å²	153.9	80%	0.804	81%	0.806	S	S	*	*			trans	-143	131.4	-167.4	57.3	0	0	0	0	113.2
1072	G	35.7	Very low	36.2	Very low	73 Å²	73	157.6 Å²	157.6	75%	0.753	82%	0.816	S	S	*	*			trans	162.4	153.6	169.9	0	0	0	0	0	112.6
1073	Q	37.8	Very low	36.8	Very low	172 Å²	172	155.1 Å²	155.1	80%	0.804	81%	0.809	S	S	*	*			cis	-162.1	131.4	-9.9	-166	168	-8.6	0	0	111.5
1074	R	35	Very low	37.1	Very low	211 Å²	211	154.5 Å²	154.5	80%	0.796	81%	0.811	S	S	*	*			trans	36	134.8	157.6	-67.6	-177.2	173.2	-169.6	-2.9	121.7
1075	R	37.4	Very low	37.2	Very low	251 Å²	251	157 Å²	157	95%	0.947	82%	0.819	S	S	*	*				-161.7	155.2	107.9	-100.7	167.3	-160.6	-155.8	4.3	110.9
1076	N	37.1	Very low	37.3	Very low	145 Å²	145	153.2 Å²	153.2	78%	0.775	81%	0.812	S	S	*	*			trans	-124.3	150	-165.9	-63.7	11.4	0	0	0	113.7
1077	A	41.8	Very low	37.9	Very low	91 Å²	91	146.9 Å²	146.9	75%	0.752	80%	0.802	S	S	*	*			trans	-167.9	125	140.3	0	0	0	0	0	106.3
1078	N	40.2	Very low	38.2	Very low	150 Å²	150	144 Å²	144	80%	0.802	80%	0.796	S	S	*	*				60.3	125.6	62.6	-58.1	18.3	0	0	0	110.7
1079	S	39.5	Very low	38.2	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	79%	0.788	S	S	*	*			cis	-159	164.7	29.3	-157.1	0	0	0	0	114.4
1080	L	40.1	Very low	38.6	Very low	162 Å²	162	138 Å²	138	85%	0.848	79%	0.792	S	S	*	*			trans	6.8	157.5	150.6	-88.1	59.7	0	0	0	122.3
1081	A	42.6	Very low	38.4	Very low	92 Å²	92	133.1 Å²	133.1	76%	0.76	79%	0.785	S	S	*	*			cis	-159.2	166.7	5.1	0	0	0	0	0	115.1
1082	D	42.6	Very low	38.4	Very low	154 Å²	154	133.5 Å²	133.5	82%	0.824	79%	0.788	S	S	*	*			trans	-65.4	-173.9	169.7	-92.4	-37.6	0	0	0	116.7
1083	P	48.7	Very low	38.2	Very low	101 Å²	101	135 Å²	135	66%	0.656	79%	0.787	S	S	*	*			cis	-141.4	-173.7	-34.9	38.8	-20	0	0	0	115.4
1084	N	38.1	Very low	38.2	Very low	152 Å²	152	136.3 Å²	136.3	81%	0.813	79%	0.79	S	S	*	*			trans	-2.6	145.3	152.9	-53.5	-31.6	0	0	0	122.2
1085	D	39.7	Very low	38.3	Very low	163 Å²	163	132.6 Å²	132.6	87%	0.872	79%	0.791	S	S	*	*				-158.4	166.6	129.8	-134.2	-21.4	0	0	0	114.7
1086	S	34.6	Very low	38.1	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	79%	0.787	S	S	*	*			trans	-168.8	-179.1	-178.5	73.5	0	0	0	0	111.8
1087	P	44.2	Very low	37.8	Very low	108 Å²	108	124.8 Å²	124.8	70%	0.701	78%	0.783	S	S	*	*			cis	-131.2	-160.7	-19.9	37.6	-17.5	0	0	0	112.9
1088	S	36.2	Very low	37.6	Very low	100 Å²	100	132 Å²	132	70%	0.699	79%	0.791	S	S	*	*			trans	93.3	116.9	144.2	79.5	0	0	0	0	123.6
1089	S	34.1	Very low	37.5	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	79%	0.79	S	S	*	*				86.7	154.8	125.4	82.3	0	0	0	0	123.7
1090	S	35.4	Very low	37	Very low	123 Å²	123	130.8 Å²	130.8	86%	0.86	79%	0.793	S	S	*	*			trans	84.5	143.7	160.5	79.6	0	0	0	0	119.9
1091	S	31.6	Very low	37	Very low	118 Å²	118	129 Å²	129	83%	0.825	79%	0.791	S	S	*	*			trans	-106.7	156.9	-168.2	48.5	0	0	0	0	112.5
1092	S	34.5	Very low	36.6	Very low	123 Å²	123	127.5 Å²	127.5	86%	0.86	78%	0.784	S	S	*	*			trans	-164.3	166.4	134.6	-150.1	0	0	0	0	112.7
1093	S	31.9	Very low	36.2	Very low	104 Å²	104	126.3 Å²	126.3	73%	0.727	78%	0.782	S	S	*	*			trans	-113.4	143.2	-174.3	-51.8	0	0	0	0	113
1094	K	37.6	Very low	35.5	Very low	200 Å²	200	128 Å²	128	87%	0.87	79%	0.785	S	S	*	*			trans	-168.8	109.5	159	-95.3	139.9	-176.5	178.8	0	105.9
1095	V	35.6	Very low	35.1	Very low	133 Å²	133	129.3 Å²	129.3	81%	0.806	78%	0.784	S	S	*	*				57.6	99.5	63.4	-172.6	0	0	0	0	112.4
1096	C	34.6	Very low	34.6	Very low	128 Å²	128	126.7 Å²	126.7	87%	0.865	78%	0.779	S	S	*	*			trans	-151.8	152.4	151.2	-162.5	0	0	0	0	108.6
1097	C	31.5	Very low	34.5	Very low	104 Å²	104	127 Å²	127	70%	0.703	78%	0.781	S	S	*	*			trans	-133	178.3	-168.6	-60.6	0	0	0	0	112.4
1098	R	36	Very low	33.9	Very low	241 Å²	241	127.2 Å²	127.2	91%	0.909	78%	0.78	S	S	*	*			trans	82.4	145.9	175.8	-48.4	179	175.8	-159.6	-2.3	113.7
1099	S	38.2	Very low	33.8	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	79%	0.786	S	S	*	*			cis	-136.3	160.8	7.1	-71.5	0	0	0	0	112.9
1100	C	29.7	Very low	33.7	Very low	118 Å²	118	133.7 Å²	133.7	80%	0.797	79%	0.788	S	S	*	*			trans	-76.4	170.3	161.3	-50.1	0	0	0	0	110.7
1101	P	39.1	Very low	33.5	Very low	124 Å²	124	135.5 Å²	135.5	81%	0.805	79%	0.787	S	S	*	*				-113	176.1	63.4	41	-37.5	0	0	0	112.2
1102	G	34.7	Very low	33.7	Very low	61 Å²	61	135 Å²	135	63%	0.629	78%	0.781	S	S	*	*			cis	88.6	139.7	24	0	0	0	0	0	110.9
1103	V	34.5	Very low	33.7	Very low	129 Å²	129	135 Å²	135	78%	0.782	78%	0.778	S	S	*	*			cis	-160	155.2	6.2	144	0	0	0	0	107.6
1104	L	32.8	Very low	33.7	Very low	136 Å²	136	137.8 Å²	137.8	71%	0.712	78%	0.777	S	S	*	*			trans	65.8	153.2	174.8	-68	162.1	0	0	0	116.8
1105	F	31.8	Very low	33.7	Very low	181 Å²	181	135.5 Å²	135.5	79%	0.794	78%	0.775	S	S	*	*			cis	-126.6	153.3	1.5	-108.3	-77.4	0	0	0	111.5
1106	S	28.1	Very low	33.8	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	78%	0.776	S	S	*	*			trans	-99.4	133.1	162.8	172.9	0	0	0	0	109.7
1107	S	33.1	Very low	33.7	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	77%	0.771	S	S	*	*			trans	-157.2	99.3	168.1	60.4	0	0	0	0	111.8
1108	V	30.7	Very low	33.6	Very low	111 Å²	111	138.6 Å²	138.6	67%	0.673	77%	0.771	S	S	*	*			trans	-71.8	128	164.4	-178.4	0	0	0	0	108.4	R1110	V1108-R1110 VanDerWaalsContact C-N 3.26Å; V1108-R1110 HydrophobicContact CG1-CG 4.25Å; V1108-R1110 PolarHBondContact O-N 3.48Å
1109	P	35	Very low	33.5	Very low	127 Å²	127	136.5 Å²	136.5	83%	0.825	77%	0.769	S	S	*	*			trans	-73.3	87.9	161.2	30.2	-29.1	0	0	0	107.9
1110	R	32	Very low	33.1	Very low	218 Å²	218	143.3 Å²	143.3	82%	0.823	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62.4	147	168.1	-70.1	-173.1	-179.7	-170.3	0.9	108.6	V1108 P1112	V1108-R1110 VanDerWaalsContact C-N 3.26Å; V1108-R1110 HydrophobicContact CG1-CG 4.25Å; V1108-R1110 PolarHBondContact O-N 3.48Å; R1110-P1112 VanDerWaalsContact O-CD 3.23Å; R1110-P1112 WeakPolarHBondContact O-CD 3.49Å
1111	I	30.7	Very low	33.4	Very low	162 Å²	162	145.3 Å²	145.3	83%	0.831	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-56.4	117.2	166.6	-59.9	161.1	0	0	0	107.9
1112	P	36.4	Very low	33.3	Very low	107 Å²	107	147.1 Å²	147.1	70%	0.695	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-77.7	140.8	166	32.8	-30.8	0	0	0	108.9	R1110	R1110-P1112 VanDerWaalsContact O-CD 3.23Å; R1110-P1112 WeakPolarHBondContact O-CD 3.49Å
1113	P	33	Very low	33.4	Very low	124 Å²	124	151.8 Å²	151.8	81%	0.805	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70.4	170.1	176.6	31.4	-35.7	0	0	0	111.8
1114	K	33.4	Very low	33.6	Very low	161 Å²	161	151.1 Å²	151.1	70%	0.7	78%	0.78	S	S	*	*	S	Bend	trans	-63.8	158	170.2	-58.7	-176	176.3	-172.8	0	111
1115	N	37.5	Very low	33.7	Very low	153 Å²	153	149.1 Å²	149.1	82%	0.818	78%	0.783	S	S	*	*			trans	86.3	90.3	163.7	-47.2	-15.4	0	0	0	118
1116	E	36.7	Very low	33.6	Very low	181 Å²	181	149 Å²	149	85%	0.846	79%	0.787	S	S	*	*			trans	-166.2	112.4	132.4	-103.7	-179.6	-178.6	0	0	106.8
1117	I	33	Very low	33.8	Very low	148 Å²	148	155.5 Å²	155.5	76%	0.759	80%	0.795	S	S	*	*				77.3	99.6	77.8	-65.9	172.4	0	0	0	113.3
1118	S	29.9	Very low	33.9	Very low	100 Å²	100	154.6 Å²	154.6	70%	0.699	79%	0.794	S	S	*	*			trans	32	102.4	154.9	55	0	0	0	0	121.1
1119	K	32.7	Very low	34.2	Very low	197 Å²	197	154.2 Å²	154.2	86%	0.857	79%	0.794	S	S	*	*			trans	-162.5	162.4	133	-105.2	146.9	-173	170.3	0	110
1120	W	31.6	Very low	34.3	Very low	255 Å²	255	155.3 Å²	155.3	97%	0.966	79%	0.792	S	S	*	*			trans	71.3	42.8	-175.6	-58	92.9	0	0	0	116.7
1121	I	36	Very low	34.6	Very low	161 Å²	161	151.5 Å²	151.5	83%	0.826	78%	0.781	S	S	*	*			trans	-100.8	125.2	130.5	-65.5	172.7	0	0	0	105.4
1122	E	36.6	Very low	34.9	Very low	161 Å²	161	150.2 Å²	150.2	75%	0.752	77%	0.77	S	S	*	*			trans	179.2	128.8	133.3	-102.1	-177.3	-147.7	0	0	113.6
1123	H	36.1	Very low	34.9	Very low	160 Å²	160	146.8 Å²	146.8	74%	0.741	75%	0.754	S	S	*	*			trans	70.4	151.9	143	-72.7	-43.9	0	0	0	123.1
1124	P	38.7	Very low	35	Very low	115 Å²	115	144.9 Å²	144.9	75%	0.747	73%	0.734	S	S	*	*			trans	-142.8	-123.5	-136.7	42.7	-18.8	0	0	0	112.1
1125	A	35	Very low	35.3	Very low	94 Å²	94	142 Å²	142	78%	0.777	73%	0.727	S	S	*	*			trans	92.2	142.4	160.5	0	0	0	0	0	118.2
1126	M	29.5	Very low	35.2	Very low	178 Å²	178	140.9 Å²	140.9	88%	0.877	71%	0.711	S	S	*	*			trans	-70.7	146.1	170	-47.4	170.3	-169.8	0	0	110.1
1127	R	33	Very low	35.1	Very low	244 Å²	244	138.5 Å²	138.5	92%	0.921	70%	0.7	S	S	*	*			trans	-176.4	115.8	136.2	-99.8	153.2	-164.9	-163.1	5.4	111.1
1128	A	35.4	Very low	35.6	Very low	90 Å²	90	138.8 Å²	138.8	74%	0.744	70%	0.701	S	S	*	*			trans	-75.5	160.6	140.4	0	0	0	0	0	107.6
1129	P	37.3	Very low	36	Very low	103 Å²	103	139.3 Å²	139.3	67%	0.669	70%	0.702	S	S	*	*				-156.4	151.6	90.7	38.7	-19.7	0	0	0	117.8
1130	L	35.2	Very low	36.1	Very low	149 Å²	149	136.7 Å²	136.7	78%	0.78	70%	0.696	S	S	*	*			trans	69	160.2	146.9	-62.7	165.3	0	0	0	117.4
1131	K	38.5	Very low	36.3	Very low	138 Å²	138	129.9 Å²	129.9	60%	0.6	69%	0.687	S	S	*	*			cis	-155.6	145	15.1	-151.9	164	-172.5	176.7	0	115.2	H1159 G1160	K1131-H1159 CarbonylContact O-C 3.52Å; K1131-G1160 CarbonylContact C-O 3.57Å; K1131-G1160 WeakPolarHBondContact CA-O 3.45Å; K1131-G1160 PolarHBondContact N-O 2.86Å; K1131-G1160 WeakPolarHBondContact O-CA 3.49Å; K1131-G1160 PolarHBondContact O-N 2.94Å; K1131-G1160 VanDerWaalsContact O-N 3.1Å
1132	K	37.5	Very low	36.3	Very low	135 Å²	135	128.2 Å²	128.2	59%	0.587	69%	0.687	S	S	*	*			trans	84.8	149	168.3	-45.6	172.6	-165.8	177.5	0	113	A1158 H1159 G1160	K1132-A1158 WeakPolarHBondContact CD-O 3.06Å; K1132-H1159 CarbonylContact O-C 3.55Å; K1132-H1159 WeakPolarHBondContact O-CA 3.5Å; K1132-G1160 CarbonylContact O-C 3.42Å; K1132-G1160 PolarHBondContact O-N 2.92Å
1133	G	35.8	Very low	36.1	Very low	35 Å²	35	123.6 Å²	123.6	36%	0.361	68%	0.682	S	S	.	*			cis	146	151.2	2.5	0	0	0	0	0	108.7	A1158	G1133-A1158 WeakPolarHBondContact O-CA 3.39Å; G1133-A1158 PolarHBondContact O-N 3.09Å; G1133-A1158 VanDerWaalsContact O-N 3.1Å
1134	H	36.8	Very low	35.9	Very low	84 Å²	84	125.4 Å²	125.4	39%	0.389	69%	0.688	S	S	.	*			cis	-125.3	146.2	-1.5	-87	-120.7	0	0	0	108.7	P1156 S1157	H1134-P1156 HydrophobicContact CB-CB 4.04Å; H1134-S1157 WeakPolarHBondContact CD2-CA 3.48Å; H1134-S1157 PolarHBondContact CD2-N 2.79Å; H1134-S1157 PolarHBondContact NE2-N 3.26Å
1135	D	38.8	Very low	35.7	Very low	102 Å²	102	126.9 Å²	126.9	55%	0.545	69%	0.689	S	S	.	*				58.6	147.1	98.4	-30.6	-9.9	0	0	0	115	S1155	D1135-S1155 PolarHBondContact OD2-OG 3.2Å
1136	R	35.6	Very low	35.6	Very low	129 Å²	129	127.8 Å²	127.8	49%	0.487	69%	0.688	S	S	.	*			cis	-143.1	166.9	20	-77.7	-168.2	146.5	-179.1	10.1	110.6	P1154 S1155	R1136-P1154 VanDerWaalsContact CZ-O 3.27Å; R1136-P1154 PolarHBondContact NH1-O 3.31Å; R1136-P1154 PolarHBondContact NH2-O 3.03Å; R1136-S1155 PolarHBondContact NE-OG 3.13Å
1137	E	35.1	Very low	36	Very low	131 Å²	131	127.1 Å²	127.1	61%	0.612	68%	0.683	S	S	*	*			cis	-165	151.4	-22.6	-105.3	157	-172.7	0	0	106
1138	I	41.9	Very low	36.4	Very low	154 Å²	154	120.7 Å²	120.7	79%	0.79	67%	0.671	S	S	*	*			trans	-119.8	134.7	171.6	-64.9	159.5	0	0	0	105.1
1139	P	38.7	Very low	36.6	Very low	111 Å²	111	126.2 Å²	126.2	72%	0.721	68%	0.678	S	S	*	*				-157.8	135.9	107.6	36.8	-15.5	0	0	0	119.3
1140	I	35.4	Very low	36.6	Very low	142 Å²	142	126.8 Å²	126.8	73%	0.728	68%	0.682	S	S	*	*				46.1	117	115.2	-52.6	162.4	0	0	0	120
1141	S	35.5	Very low	37.1	Very low	111 Å²	111	125.8 Å²	125.8	78%	0.776	68%	0.682	S	S	*	*			trans	65.3	171.2	151	-70.2	0	0	0	0	118.5
1142	P	35.3	Very low	37.4	Very low	127 Å²	127	126.1 Å²	126.1	83%	0.825	69%	0.69	S	S	*	*			cis	-114.6	-162.8	-0.2	42.6	-29.3	0	0	0	113.8
1143	G	32.4	Very low	37.7	Very low	63 Å²	63	130.6 Å²	130.6	65%	0.649	70%	0.704	S	S	*	*			trans	-89.9	169.9	-178.9	0	0	0	0	0	115.1
1144	F	32.6	Very low	38.1	Very low	199 Å²	199	133.7 Å²	133.7	87%	0.873	72%	0.717	S	S	*	*	S	Bend	trans	50.3	122.6	164.7	-80.8	-88.8	0	0	0	120.6
1145	L	34.9	Very low	38.3	Very low	145 Å²	145	131.7 Å²	131.7	76%	0.759	71%	0.713	S	S	*	*			trans	69.1	102.1	149.5	-69.8	159.7	0	0	0	119.8
1146	C	33.4	Very low	38.6	Very low	113 Å²	113	131.6 Å²	131.6	76%	0.764	72%	0.717	S	S	*	*			trans	80.3	147.3	136.3	-64.8	0	0	0	0	121.9
1147	H	37.8	Very low	38.8	Very low	164 Å²	164	129.3 Å²	129.3	76%	0.759	72%	0.722	S	S	*	*			trans	74.5	81.4	160	-83.7	-72.2	0	0	0	123.1
1148	T	41.2	Very low	39	Very low	109 Å²	109	125.6 Å²	125.6	67%	0.669	71%	0.713	S	S	*	*				68.7	111.9	120.1	49.8	0	0	0	0	123.9
1149	K	38.9	Very low	38.9	Very low	207 Å²	207	125.6 Å²	125.6	90%	0.9	71%	0.709	S	S	*	*			trans	86.8	148.1	141	-71.5	-176.2	174.3	178.8	0	121
1150	P	37.6	Very low	38.9	Very low	114 Å²	114	124.3 Å²	124.3	74%	0.74	72%	0.717	S	S	*	*			trans	-127.3	172.9	-168.8	44	-29.7	0	0	0	116.4
1151	T	45.3	Very low	39.1	Very low	128 Å²	128	123.5 Å²	123.5	79%	0.785	72%	0.716	S	S	*	*			trans	-170.5	147	148.4	7.4	0	0	0	0	116.3
1152	N	44.9	Very low	39.2	Very low	146 Å²	146	124.1 Å²	124.1	78%	0.781	71%	0.713	S	S	*	*			trans	67.9	100.2	147.9	-60.3	-16.8	0	0	0	125.7
1153	R	44	Very low	39.5	Very low	229 Å²	229	123.9 Å²	123.9	86%	0.864	71%	0.707	S	S	*	*				9.9	169.4	118.8	-83.7	-176.6	177.2	-172.4	-0.1	122.2
1154	P	44.7	Very low	39.9	Very low	100 Å²	100	127.5 Å²	127.5	65%	0.649	71%	0.71	S	S	*	*			cis	-137	-174.9	1.7	37.4	-16.3	0	0	0	117	R1136	R1136-P1154 VanDerWaalsContact CZ-O 3.27Å; R1136-P1154 PolarHBondContact NH1-O 3.31Å; R1136-P1154 PolarHBondContact NH2-O 3.03Å
1155	S	40.6	Very low	40.3	Very low	41 Å²	41	123.1 Å²	123.1	29%	0.287	70%	0.7	S	S	.	*			trans	-147.3	163.2	156.4	71.7	0	0	0	0	110.7	D1135 R1136	D1135-S1155 PolarHBondContact OD2-OG 3.2Å; R1136-S1155 PolarHBondContact NE-OG 3.13Å
1156	P	45.8	Very low	40.7	Very low	100 Å²	100	121.6 Å²	121.6	65%	0.649	70%	0.696	S	S	*	*				-148.5	-150.7	93.3	36.4	-12.3	0	0	0	112	H1134	H1134-P1156 HydrophobicContact CB-CB 4.04Å
1157	S	39.3	Very low	41.2	Very low	82 Å²	82	122.2 Å²	122.2	57%	0.573	69%	0.691	S	S	*	*			cis	-162.1	154.2	4.7	-154.8	0	0	0	0	114.8	H1134	H1134-S1157 WeakPolarHBondContact CD2-CA 3.48Å; H1134-S1157 PolarHBondContact CD2-N 2.79Å; H1134-S1157 PolarHBondContact NE2-N 3.26Å
1158	A	39.8	Very low	41.5	Very low	52 Å²	52	119 Å²	119	43%	0.43	69%	0.686	S	S	.	*			trans	53	144.2	151.6	0	0	0	0	0	122.9	K1132 G1133	K1132-A1158 WeakPolarHBondContact CD-O 3.06Å; G1133-A1158 WeakPolarHBondContact O-CA 3.39Å; G1133-A1158 PolarHBondContact O-N 3.09Å; G1133-A1158 VanDerWaalsContact O-N 3.1Å
1159	H	39.2	Very low	41.5	Very low	154 Å²	154	119.8 Å²	119.8	71%	0.713	69%	0.687	S	S	*	*			cis	-161.1	150	-27.5	-164.7	-53.2	0	0	0	108.3	K1131 K1132	K1131-H1159 CarbonylContact O-C 3.52Å; K1132-H1159 CarbonylContact O-C 3.55Å; K1132-H1159 WeakPolarHBondContact O-CA 3.5Å
1160	G	38.2	Very low	41.7	Very low	85 Å²	85	111.9 Å²	111.9	88%	0.876	67%	0.668	S	S	*	*			trans	174.6	0	172.7	0	0	0	0	0	112.4	K1131 K1132	K1131-G1160 CarbonylContact C-O 3.57Å; K1131-G1160 WeakPolarHBondContact CA-O 3.45Å; K1131-G1160 PolarHBondContact N-O 2.86Å; K1131-G1160 WeakPolarHBondContact O-CA 3.49Å; K1131-G1160 PolarHBondContact O-N 2.94Å; K1131-G1160 VanDerWaalsContact O-N 3.1Å; K1132-G1160 CarbonylContact O-C 3.42Å; K1132-G1160 PolarHBondContact O-N 2.92Å

Retrieved 1,160 of 1,160 residues in 203 ms (Link to these results)

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