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Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium from the cytoplasm to the extracellular space thereby maintaining intracellular calcium homeostasis. Plays a role in blood pressure regulation through regulation of intracellular calcium concentration and nitric oxide production leading to regulation of vascular smooth muscle cells vasoconstriction. Positively regulates bone mineralization through absorption of calcium from the intestine. Plays dual roles in osteoclast differentiation and survival by regulating RANKL-induced calcium oscillations in preosteoclasts and mediating calcium extrusion in mature osteoclasts. Regulates insulin sensitivity through calcium/calmodulin signaling pathway by regulating AKT1 activation and NOS3 activation in endothelial cells. May play a role in synaptic transmission by modulating calcium and proton dynamics at the synaptic vesicles.

AlphaFold DB , UniProt , Accession F7E3S4, Species MACMU (Macaca mulatta, Rhesus macaque), Gene ATP2B1, Length 1,249 aa.

						>F7E3S4_MACMU|F7E3S4|ATP2B1
MGDMANNSVAYSGVKNSLKEANHDGDFGITLAELRALMELRSTDALRKIQESYGDVYGICTKLKTSPNEGLSGNPADLERREAVFGKNFIPPKKPKTFLQLVWEALQDVTLIILEIAAIVSLGLSFYQPPEGDNALCGEVSVGEEEGEGETGWIEGAAILLSVVCVVLVTAFNDWSKEKQFRGLQSRIEQEQKFTVIRGGQVIQIPVADITVGDIAQVKYGDLLPADGILIQGNDLKIDESSLTGESDHVKKSLDKDPLLLSGTHVMEGSGRMVVTAVGVNSQTGIIFTLLGAGGEEEEKKDEKKKEKKNKKQDGAIENRNKAKAQDGAAMEMQPLKSEEGGDGDEKDKKKANLPKKEKSVLQGKLTKLAVQIGKAGLLMSAITVIILVLYFVIDTFWVQKRPWLAECTPIYIQYFVKFFIIGVTVLVVAVPEGLPLAVTISLAYSVKKMMKDNNLVRHLDACETMGNATAICSDKTGTLTMNRMTVVQAYINEKHYKKVPEPEAIPPNILSYLVTGISVNCAYTSKILPPEKEGGLPRHVGNKTECALLGLLLDLKRDYQDVRNEIPEEALYKVYTFNSVRKSMSTVLKNSDGSYRIFSKGASEIILKKCFKILSANGEAKVFRPRDRDDIVKTVIEPMASEGLRTICLAFRDFPAGEPEPEWDNENDIVTGLTCIAVVGIEDPVRPEVPDAIKKCQRAGITVRMVTGDNINTARAIATKCGILHPGEDFLCLEGKDFNRRIRNEKGEIEQERIDKIWPKLRVLARSSPTDKHTLVKGIIDSTVSDQRQVVAVTGDGTNDGPALKKADVGFAMGIAGTDVAKEASDIILTDDNFTSIVKAVMWGRNVYDSISKFLQFQLTVNVVAVIVAFTGACITQDSPLKAVQMLWVNLIMDTLASLALATEPPTESLLLRKPYGRNKPLISRTMMKNILGHAFYQLVVVFTLLFAGEKFFDIDSGRNAPLHAPPSEHYTIVFNTFVLMQLFNEINARKIHGERNVFEGIFNNAIFCTIVLGTFVVQIIIVQFGGKPFSCSELSIEQWLWSIFLGMGTLLWGQLISTIPTSRLKFLKEAGHGTQKEEIPEEELAEDVEEIDHAERELRRGQILWFRGLNRIQTQMDVVNAFQSGSSIQGALRRQPSIASQHHDIRVVNAFRSSLYEGLEKPESRSSIHNFMTHPEFRIEDSEPHIPLIDDTDAEDDAPTKRNSSPPPSPNKNNNAVDSGIHLTIEMNKSATSSSPGSPLHSLETSL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	29.8	Very low	255 Å²	255	140.8 Å²	140.8	100%	1.256	81%	0.805	S	S	*	*				0	124.2	0	-67.4	174	171.7	0	0	106.6
2	G	30.5	Very low	29.4	Very low	69 Å²	69	137.8 Å²	137.8	71%	0.711	80%	0.799	S	S	*	*			cis	-160.8	166.9	-3.8	0	0	0	0	0	109.9
3	D	34.5	Very low	29	Very low	153 Å²	153	133.2 Å²	133.2	82%	0.818	80%	0.8	S	S	*	*			trans	-75.4	176.3	-163.5	-57.8	-91.8	0	0	0	116.9
4	M	32.7	Very low	28.8	Very low	185 Å²	185	134.5 Å²	134.5	91%	0.911	81%	0.808	S	S	*	*			trans	88.3	147	161.4	-52.1	-170.5	-168.2	0	0	117.9
5	A	33	Very low	29	Very low	76 Å²	76	137.7 Å²	137.7	63%	0.628	81%	0.807	S	S	*	*			cis	161.1	174.1	-28.1	0	0	0	0	0	107.6
6	N	28.1	Very low	29	Very low	141 Å²	141	138.4 Å²	138.4	75%	0.754	81%	0.806	S	S	*	*			trans	93.7	143.1	176.3	-53.7	-36.1	0	0	0	115.7
7	N	25.2	Very low	29.1	Very low	138 Å²	138	136.2 Å²	136.2	74%	0.738	80%	0.8	S	S	*	*			cis	-163.5	145	-25.4	-104.9	-23	0	0	0	108.7
8	S	25.5	Very low	29.2	Very low	120 Å²	120	137.6 Å²	137.6	84%	0.839	80%	0.803	S	S	*	*			trans	-133.2	113.3	171.9	56.6	0	0	0	0	110.3
9	V	29.7	Very low	29.3	Very low	122 Å²	122	140.9 Å²	140.9	74%	0.739	81%	0.807	S	S	*	*			trans	-137.1	100.4	-170.5	-177.7	0	0	0	0	112.4
10	A	29.4	Very low	29.5	Very low	75 Å²	75	142.9 Å²	142.9	62%	0.62	81%	0.808	S	S	*	*			trans	59.5	167.7	154.7	0	0	0	0	0	118.1
11	Y	28.4	Very low	29.7	Very low	215 Å²	215	139.9 Å²	139.9	84%	0.843	80%	0.802	S	S	*	*			cis	-142.5	164.8	3.2	-80.3	-88.5	0	0	0	109.2
12	S	25.3	Very low	29.9	Very low	105 Å²	105	135 Å²	135	73%	0.734	78%	0.781	S	S	*	*			cis	-177.6	131.6	-36.3	58.3	0	0	0	0	110.9
13	G	23.4	Very low	30.4	Very low	78 Å²	78	135.9 Å²	135.9	80%	0.804	77%	0.766	S	S	*	*			trans	122.9	145.5	172.7	0	0	0	0	0	113
14	V	26.3	Very low	30.6	Very low	151 Å²	151	136.4 Å²	136.4	92%	0.915	77%	0.769	S	S	*	*			cis	-114.4	160	10.2	176.5	0	0	0	0	111
15	K	31.4	Very low	31.5	Very low	182 Å²	182	130.2 Å²	130.2	79%	0.791	75%	0.752	S	S	*	*			trans	-110.6	161.2	176.8	-89.8	-167.7	174.3	-173.2	0	112.7
16	N	29.2	Very low	33	Very low	149 Å²	149	131.1 Å²	131.1	80%	0.797	75%	0.746	S	S	*	*			trans	86.9	143.6	168.2	-51.9	-20.3	0	0	0	116.1
17	S	31.7	Very low	35.4	Very low	101 Å²	101	125.1 Å²	125.1	71%	0.706	71%	0.714	S	S	*	*			cis	-176.1	121.1	-23.1	-98.3	0	0	0	0	108.2
18	L	30.1	Very low	38	Very low	161 Å²	161	119.8 Å²	119.8	84%	0.843	69%	0.692	S	S	*	*			trans	-172.8	108.1	155.3	-108	157.5	0	0	0	111.9
19	K	31.9	Very low	40.8	Very low	202 Å²	202	114.3 Å²	114.3	88%	0.878	65%	0.653	S	S	*	*			trans	31.9	84	160.2	-62.6	-178.3	179.3	-179.4	0	117.3
20	E	32.4	Very low	43.5	Very low	179 Å²	179	111.3 Å²	111.3	84%	0.836	64%	0.635	S	S	*	*			trans	-64.5	140.8	156	-67.2	175.1	129.5	0	0	110
21	A	33.8	Very low	46.1	Very low	81 Å²	81	110 Å²	110	67%	0.669	62%	0.617	S	S	*	*			trans	-85	161.6	162.5	0	0	0	0	0	109.3	H23	A21-H23 PolarHBondContact O-N 3.25Å
22	N	35.3	Very low	48.8	Very low	153 Å²	153	103.1 Å²	103.1	82%	0.818	61%	0.605	S	S	*	*			trans	-62.5	96.2	-175.2	-67.1	3.8	0	0	0	112.3	D24	N22-D24 PolarHBondContact O-N 3.24Å
23	H	42.1	Very low	51.6	Low	87 Å²	87	101.4 Å²	101.4	40%	0.403	59%	0.585	S	S	.	*			trans	-76.7	65.7	165.8	-76.7	-52.7	0	0	0	110.4	A21 G25	A21-H23 PolarHBondContact O-N 3.25Å; H23-G25 PolarHBondContact O-N 2.6Å
24	D	38.2	Very low	54.6	Low	163 Å²	163	97.7 Å²	97.7	87%	0.872	55%	0.547	S	S	*	.			trans	-84.4	53.8	-176.8	-151.7	8.9	0	0	0	111.2	N22	N22-D24 PolarHBondContact O-N 3.24Å
25	G	50.4	Low	57.4	Low	55 Å²	55	94.6 Å²	94.6	57%	0.567	52%	0.519	S	S	*	.	S	Bend	trans	-170.4	159.4	-172.4	0	0	0	0	0	114.7	H23 F27	H23-G25 PolarHBondContact O-N 2.6Å; G25-F27 PolarHBondContact O-N 2.89Å; G25-F27 VanDerWaalsContact O-N 3.12Å
26	D	65.3	Low	59.9	Low	95 Å²	95	88.3 Å²	88.3	51%	0.508	50%	0.501	S	S	.	.	S	Bend	trans	-76.4	5.1	-171	-154.8	1.8	0	0	0	114.3	K64	D26-K64 WeakPolarHBondContact O-CE 3.26Å; D26-K64 PolarHBondContact O-NZ 3.08Å; D26-K64 IonicContact OD1-NZ 2.63Å; D26-K64 PolarHBondContact OD1-NZ 2.91Å
27	F	78.4	Confident	62.6	Low	16 Å²	16	81.3 Å²	81.3	7%	0.07	46%	0.463	C	S	.	.	S	Bend	trans	-129.1	139.9	176.9	-63.2	-77.9	0	0	0	109.7	G25 I29 K64 R81 V84 F85	G25-F27 PolarHBondContact O-N 2.89Å; G25-F27 VanDerWaalsContact O-N 3.12Å; F27-I29 PolarHBondContact O-N 3.03Å; F27-K64 HydrophobicContact CD1-CD 4.25Å; F27-K64 HydrophobicContact CD1-CG 4.48Å; F27-K64 HydrophobicContact CE1-CB 4.5Å; F27-K64 HydrophobicContact CE1-CD 4.32Å; F27-R81 HydrophobicContact CZ-CG 4Å; F27-V84 HydrophobicContact CD2-CG1 4.3Å; F27-V84 HydrophobicContact CE2-CG2 4.45Å; F27-F85 HydrophobicContact CB-CZ 4.12Å; F27-F85 AromaticContact CD2-CE2 3.83Å; F27-F85 HydrophobicContact CD2-CE2 3.83Å; F27-F85 HydrophobicContact CD2-CZ 4.04Å; F27-F85 HydrophobicContact CE2-CE2 4.02Å; F27-F85 HydrophobicContact CG-CE2 4.11Å; F27-F85 HydrophobicContact CG-CZ 4.05Å; F27-F85 HydrophobicContact CZ-CE2 4.46Å
28	G	78.9	Confident	65.2	Low	26 Å²	26	76.5 Å²	76.5	27%	0.268	43%	0.43	S	S	.	.	S	Bend	trans	-77.3	15.8	-173.9	0	0	0	0	0	115	K62	G28-K62 PolarHBondContact N-O 3.09Å; G28-K62 WeakPolarHBondContact O-CD 3.18Å; G28-K62 VanDerWaalsContact O-CE 3.31Å; G28-K62 WeakPolarHBondContact O-CE 3.39Å; G28-K62 WeakPolarHBondContact O-CG 3.27Å; G28-K62 PolarHBondContact O-NZ 2.8Å
29	I	84.3	Confident	67.7	Low	4 Å²	4	73.6 Å²	73.6	2%	0.021	41%	0.412	C	S	.	.	S	Bend	trans	-156.1	141.7	-175.6	-169.4	169.4	0	0	0	109.2	F27 E33 L34 Y53 K62 L63	F27-I29 PolarHBondContact O-N 3.03Å; I29-E33 HydrophobicContact CG1-CB 4.14Å; I29-L34 HydrophobicContact CD1-CD2 3.66Å; I29-L34 HydrophobicContact CD1-CG 3.85Å; I29-L34 HydrophobicContact CG1-CD2 4.41Å; I29-L34 HydrophobicContact CG1-CG 4.06Å; I29-L34 HydrophobicContact CG2-CD1 4.42Å; I29-Y53 HydrophobicContact CD1-CD1 4.43Å; I29-Y53 HydrophobicContact CD1-CE1 3.62Å; I29-Y53 HydrophobicContact CD1-CE2 4.3Å; I29-Y53 WeakPolarHBondContact CD1-OH 3.47Å; I29-Y53 HydrophobicContact CG1-CE1 4.15Å; I29-K62 HydrophobicContact CB-CB 4.12Å; I29-K62 HydrophobicContact CB-CD 4.41Å; I29-K62 HydrophobicContact CG2-CB 4.03Å; I29-L63 HydrophobicContact CG2-CD2 3.58Å; I29-L63 HydrophobicContact CG2-CG 4.01Å
30	T	86.8	Confident	70	Confident	60 Å²	60	66.8 Å²	66.8	37%	0.368	39%	0.385	S	S	.	.			trans	-98.9	158.8	-177.3	66.2	0	0	0	0	112.5	A32 E33 L34	T30-A32 PolarHBondContact O-N 3.4Å; T30-E33 WeakPolarHBondContact CB-OE2 3.42Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.41Å; T30-E33 PolarHBondContact N-OE2 3.07Å; T30-E33 PolarHBondContact O-N 3Å; T30-E33 VanDerWaalsContact OG1-CG 3.29Å; T30-E33 WeakPolarHBondContact OG1-CG 3.47Å; T30-E33 PolarHBondContact OG1-N 2.99Å; T30-E33 PolarHBondContact OG1-OE2 3.06Å; T30-L34 PolarHBondContact O-N 2.87Å; T30-L34 VanDerWaalsContact O-N 3.11Å
31	L	85.3	Confident	72.1	Confident	46 Å²	46	62.5 Å²	62.5	24%	0.241	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-35.7	173.4	177.7	61	0	0	0	112.7	L34 R35 F85 N281	L31-L34 PolarHBondContact O-N 3.32Å; L31-R35 WeakPolarHBondContact O-CB 3.33Å; L31-R35 PolarHBondContact O-N 2.85Å; L31-F85 HydrophobicContact CB-CD1 4.1Å; L31-F85 HydrophobicContact CD1-CB 4.37Å; L31-F85 HydrophobicContact CD1-CD1 4.3Å; L31-N281 HydrophobicContact CD1-CB 4.15Å
32	A	83.6	Confident	74.1	Confident	72 Å²	72	61.1 Å²	61.1	60%	0.595	35%	0.346	S	S	*	.	H	α-helix	trans	-67.7	-41.1	178.9	0	0	0	0	0	112.2	T30 R35 A36	T30-A32 PolarHBondContact O-N 3.4Å; A32-R35 PolarHBondContact O-N 2.84Å; A32-A36 WeakPolarHBondContact O-CB 3.46Å; A32-A36 PolarHBondContact O-N 2.88Å
33	E	85.8	Confident	76.1	Confident	69 Å²	69	58.1 Å²	58.1	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-40.6	175.7	-71.5	164.6	122.6	0	0	112.3	I29 T30 L37	I29-E33 HydrophobicContact CG1-CB 4.14Å; T30-E33 WeakPolarHBondContact CB-OE2 3.42Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.41Å; T30-E33 PolarHBondContact N-OE2 3.07Å; T30-E33 PolarHBondContact O-N 3Å; T30-E33 VanDerWaalsContact OG1-CG 3.29Å; T30-E33 WeakPolarHBondContact OG1-CG 3.47Å; T30-E33 PolarHBondContact OG1-N 2.99Å; T30-E33 PolarHBondContact OG1-OE2 3.06Å; E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 PolarHBondContact O-N 2.98Å; E33-L37 VanDerWaalsContact O-N 3.07Å
34	L	86.3	Confident	77.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-43.2	175.5	-74.1	163.7	0	0	0	112.1	I29 T30 L31 L37 M38 L63 F85 V212 T276	I29-L34 HydrophobicContact CD1-CD2 3.66Å; I29-L34 HydrophobicContact CD1-CG 3.85Å; I29-L34 HydrophobicContact CG1-CD2 4.41Å; I29-L34 HydrophobicContact CG1-CG 4.06Å; I29-L34 HydrophobicContact CG2-CD1 4.42Å; T30-L34 PolarHBondContact O-N 2.87Å; T30-L34 VanDerWaalsContact O-N 3.11Å; L31-L34 PolarHBondContact O-N 3.32Å; L34-L37 WeakPolarHBondContact O-CB 3.44Å; L34-L37 PolarHBondContact O-N 3.18Å; L34-M38 PolarHBondContact O-N 3.48Å; L34-L63 HydrophobicContact CD1-CD2 4.22Å; L34-F85 HydrophobicContact CD1-CD1 3.87Å; L34-F85 HydrophobicContact CD1-CE1 3.65Å; L34-V212 HydrophobicContact CD1-CG1 3.88Å; L34-T276 HydrophobicContact CD2-CG2 4.01Å
35	R	84.4	Confident	80	Confident	86 Å²	86	49.9 Å²	49.9	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-50.2	176.7	176.6	177.4	168.6	148.1	0.9	111.7	L31 A32 L37 M38 E39 I286	L31-R35 WeakPolarHBondContact O-CB 3.33Å; L31-R35 PolarHBondContact O-N 2.85Å; A32-R35 PolarHBondContact O-N 2.84Å; R35-L37 PolarHBondContact O-N 2.9Å; R35-M38 PolarHBondContact O-N 3.03Å; R35-E39 WeakPolarHBondContact CG-OE1 3.47Å; R35-E39 IonicContact CZ-OE1 2.65Å; R35-E39 IonicContact NE-OE1 3.68Å; R35-E39 PolarHBondContact NE-OE1 2.52Å; R35-E39 IonicContact NH2-OE1 3.56Å; R35-E39 PolarHBondContact O-N 3.4Å; R35-I286 HydrophobicContact CG-CD1 4.24Å
36	A	84.1	Confident	81.5	Confident	49 Å²	49	49.1 Å²	49.1	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-30	178.1	0	0	0	0	0	112.4	A32 E39	A32-A36 WeakPolarHBondContact O-CB 3.46Å; A32-A36 PolarHBondContact O-N 2.88Å; A36-E39 PolarHBondContact O-N 2.73Å
37	L	85.9	Confident	82.3	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-35.4	174.1	-176.8	59.4	0	0	0	112.8	E33 L34 R35 E39 L40 K48 I49 Y53 I59 I229	E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 PolarHBondContact O-N 2.98Å; E33-L37 VanDerWaalsContact O-N 3.07Å; L34-L37 WeakPolarHBondContact O-CB 3.44Å; L34-L37 PolarHBondContact O-N 3.18Å; R35-L37 PolarHBondContact O-N 2.9Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-L40 HydrophobicContact CD1-CD1 4.42Å; L37-L40 PolarHBondContact O-N 3.38Å; L37-K48 HydrophobicContact CD1-CB 4.29Å; L37-K48 HydrophobicContact CD1-CG 4.19Å; L37-I49 HydrophobicContact CD1-CG1 3.97Å; L37-I49 HydrophobicContact CD2-CG1 4.33Å; L37-Y53 HydrophobicContact CD2-CE2 4.1Å; L37-I59 HydrophobicContact CD2-CD1 4.05Å; L37-I229 HydrophobicContact CD2-CD1 3.67Å; L37-I229 HydrophobicContact CG-CD1 4.47Å
38	M	85.7	Confident	82.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-80.1	-11.7	176.6	-60.4	-49.3	-49.6	0	0	114	L34 R35 R41 D227 L259 L261 T276 Q283	L34-M38 PolarHBondContact O-N 3.48Å; R35-M38 PolarHBondContact O-N 3.03Å; M38-R41 PolarHBondContact O-NH1 3.42Å; M38-D227 HydrophobicContact CE-CB 3.96Å; M38-D227 HydrophobicContact CG-CB 3.99Å; M38-D227 HydrophobicContact SD-CB 4.31Å; M38-L259 HydrophobicContact CE-CB 4.18Å; M38-L259 HydrophobicContact CE-CD1 4.37Å; M38-L259 HydrophobicContact CE-CD2 3.97Å; M38-L259 HydrophobicContact CE-CG 4.41Å; M38-L259 HydrophobicContact SD-CD2 4.1Å; M38-L261 HydrophobicContact CE-CD2 3.65Å; M38-T276 HydrophobicContact SD-CG2 4.49Å; M38-T276 PolarHBondContact SD-OG1 3.18Å; M38-Q283 HydrophobicContact CB-CG 4.23Å; M38-Q283 VanDerWaalsContact O-CD 3.29Å; M38-Q283 WeakPolarHBondContact O-CG 3.17Å
39	E	82	Confident	82.9	Confident	100 Å²	100	52.9 Å²	52.9	47%	0.467	28%	0.277	S	S	.	.	H	α-helix	trans	-80.1	-18	171.6	-68.1	171.1	-175.8	0	0	111.7	R35 A36 L37	R35-E39 WeakPolarHBondContact CG-OE1 3.47Å; R35-E39 IonicContact CZ-OE1 2.65Å; R35-E39 IonicContact NE-OE1 3.68Å; R35-E39 PolarHBondContact NE-OE1 2.52Å; R35-E39 IonicContact NH2-OE1 3.56Å; R35-E39 PolarHBondContact O-N 3.4Å; A36-E39 PolarHBondContact O-N 2.73Å; L37-E39 VanDerWaalsContact C-N 3.33Å
40	L	82	Confident	82.9	Confident	58 Å²	58	59.1 Å²	59.1	30%	0.304	31%	0.306	S	S	.	.			trans	-79.2	166.8	174	-62.3	177	0	0	0	112.7	L37 A45 K48 L259	L37-L40 HydrophobicContact CD1-CD1 4.42Å; L37-L40 PolarHBondContact O-N 3.38Å; L40-A45 HydrophobicContact CB-CB 3.9Å; L40-K48 HydrophobicContact CD1-CB 3.57Å; L40-K48 HydrophobicContact CD1-CG 3.76Å; L40-L259 WeakPolarHBondContact O-CD1 3.45Å
41	R	75.2	Confident	82.8	Confident	89 Å²	89	62.8 Å²	62.8	34%	0.336	32%	0.319	S	S	.	.			trans	-135.3	153.3	175.7	-66.5	-66.3	178.1	-89.8	2	111.9	M38 T43 D44 A45	M38-R41 PolarHBondContact O-NH1 3.42Å; R41-T43 PolarHBondContact O-N 3.38Å; R41-D44 PolarHBondContact O-N 2.97Å; R41-A45 PolarHBondContact O-N 2.77Å
42	S	76.4	Confident	82.6	Confident	52 Å²	52	62.5 Å²	62.5	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	44.5	-118.3	167.4	-46.9	0	0	0	0	114.5	D44 A45 L46 K256	S42-D44 PolarHBondContact O-N 3.2Å; S42-A45 PolarHBondContact O-N 3.48Å; S42-L46 PolarHBondContact O-N 2.7Å; S42-L46 VanDerWaalsContact O-N 3.16Å; S42-K256 CarbonylContact C-O 3.49Å; S42-K256 WeakPolarHBondContact CA-O 3.35Å
43	T	76.1	Confident	82.5	Confident	90 Å²	90	60.3 Å²	60.3	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-72.4	-24.8	-173.8	50	0	0	0	0	114.3	R41 R47	R41-T43 PolarHBondContact O-N 3.38Å; T43-R47 WeakPolarHBondContact O-CB 3.36Å; T43-R47 PolarHBondContact O-N 2.89Å
44	D	81.5	Confident	82.4	Confident	77 Å²	77	58.7 Å²	58.7	41%	0.412	30%	0.299	S	S	.	.	H	α-helix	trans	-73.5	-38.7	174.4	-70.5	-48	0	0	0	111.2	R41 S42 R47 K48	R41-D44 PolarHBondContact O-N 2.97Å; S42-D44 PolarHBondContact O-N 3.2Å; D44-R47 PolarHBondContact O-N 2.85Å; D44-R47 IonicContact OD1-CZ 3.37Å; D44-R47 IonicContact OD1-NH1 2.73Å; D44-R47 PolarHBondContact OD1-NH1 3.18Å; D44-R47 IonicContact OD1-NH2 3.82Å; D44-R47 PolarHBondContact OD1-NH2 2.88Å; D44-K48 WeakPolarHBondContact O-CB 3.38Å; D44-K48 PolarHBondContact O-N 3.49Å
45	A	81	Confident	82.2	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-47.1	172.6	0	0	0	0	0	111.3	L40 R41 S42 R47 K48 I49 L259	L40-A45 HydrophobicContact CB-CB 3.9Å; R41-A45 PolarHBondContact O-N 2.77Å; S42-A45 PolarHBondContact O-N 3.48Å; A45-R47 PolarHBondContact O-N 3.45Å; A45-K48 PolarHBondContact O-N 3.19Å; A45-I49 WeakPolarHBondContact O-CG1 3.47Å; A45-I49 PolarHBondContact O-N 2.87Å; A45-L259 HydrophobicContact CB-CD1 3.66Å; A45-L259 HydrophobicContact CB-CD2 4.33Å; A45-L259 HydrophobicContact CB-CG 4Å
46	L	82.4	Confident	82.2	Confident	39 Å²	39	58.7 Å²	58.7	20%	0.204	31%	0.306	C	S	.	.	H	α-helix	trans	-58.5	-47.3	175.8	-78.4	166.2	0	0	0	112.7	S42 K48 I49 Q50 L254 K256 P258	S42-L46 PolarHBondContact O-N 2.7Å; S42-L46 VanDerWaalsContact O-N 3.16Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 2.83Å; L46-I49 PolarHBondContact O-N 2.83Å; L46-Q50 PolarHBondContact O-N 3.4Å; L46-L254 WeakPolarHBondContact CD2-O 3.47Å; L46-K256 WeakPolarHBondContact CD1-O 3.42Å; L46-P258 HydrophobicContact CD2-CG 3.73Å; L46-P258 HydrophobicContact CG-CG 4.14Å
47	R	83.3	Confident	82.2	Confident	122 Å²	122	62.1 Å²	62.1	46%	0.46	31%	0.309	S	S	.	.	H	α-helix	trans	-57.7	-45.1	175.6	-164.1	-168.5	-48.9	115.7	18.8	110.9	T43 D44 A45 I49 Q50 E51	T43-R47 WeakPolarHBondContact O-CB 3.36Å; T43-R47 PolarHBondContact O-N 2.89Å; D44-R47 PolarHBondContact O-N 2.85Å; D44-R47 IonicContact OD1-CZ 3.37Å; D44-R47 IonicContact OD1-NH1 2.73Å; D44-R47 PolarHBondContact OD1-NH1 3.18Å; D44-R47 IonicContact OD1-NH2 3.82Å; D44-R47 PolarHBondContact OD1-NH2 2.88Å; A45-R47 PolarHBondContact O-N 3.45Å; R47-I49 PolarHBondContact O-N 2.96Å; R47-Q50 PolarHBondContact O-N 2.83Å; R47-E51 VanDerWaalsContact CD-OE1 3.31Å; R47-E51 WeakPolarHBondContact CD-OE1 3.45Å; R47-E51 HydrophobicContact CG-CG 4.32Å; R47-E51 VanDerWaalsContact CG-OE1 3.3Å; R47-E51 WeakPolarHBondContact CG-OE1 3.47Å; R47-E51 WeakPolarHBondContact O-CB 3.46Å; R47-E51 VanDerWaalsContact O-CG 3.31Å; R47-E51 WeakPolarHBondContact O-CG 3.44Å; R47-E51 PolarHBondContact O-N 3.39Å
48	K	84	Confident	82.2	Confident	90 Å²	90	62.9 Å²	62.9	39%	0.391	32%	0.317	S	S	.	.	H	α-helix	trans	-65.2	-36.9	-179.4	-170.5	61.2	-178.7	149.7	0	112.8	L37 L40 D44 A45 L46 S52	L37-K48 HydrophobicContact CD1-CB 4.29Å; L37-K48 HydrophobicContact CD1-CG 4.19Å; L40-K48 HydrophobicContact CD1-CB 3.57Å; L40-K48 HydrophobicContact CD1-CG 3.76Å; D44-K48 WeakPolarHBondContact O-CB 3.38Å; D44-K48 PolarHBondContact O-N 3.49Å; A45-K48 PolarHBondContact O-N 3.19Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 2.83Å; K48-S52 WeakPolarHBondContact CD-OG 3.49Å; K48-S52 VanDerWaalsContact CE-OG 3.22Å; K48-S52 WeakPolarHBondContact CE-OG 3.5Å; K48-S52 PolarHBondContact NZ-OG 3.14Å; K48-S52 WeakPolarHBondContact O-CB 3.35Å; K48-S52 PolarHBondContact O-N 3.17Å; K48-S52 PolarHBondContact O-OG 3.16Å
49	I	84.7	Confident	82.2	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-52.4	172.6	-66.6	166.7	0	0	0	109.9	L37 A45 L46 R47 E51 S52 Y53 G54 I59 I229 P258	L37-I49 HydrophobicContact CD1-CG1 3.97Å; L37-I49 HydrophobicContact CD2-CG1 4.33Å; A45-I49 WeakPolarHBondContact O-CG1 3.47Å; A45-I49 PolarHBondContact O-N 2.87Å; L46-I49 PolarHBondContact O-N 2.83Å; R47-I49 PolarHBondContact O-N 2.96Å; I49-E51 PolarHBondContact O-N 3.29Å; I49-S52 PolarHBondContact O-N 3.38Å; I49-Y53 CarbonylContact O-C 3.58Å; I49-Y53 WeakPolarHBondContact O-CA 3.22Å; I49-Y53 PolarHBondContact O-N 2.95Å; I49-G54 PolarHBondContact O-N 3.02Å; I49-I59 HydrophobicContact CG1-CD1 4.15Å; I49-I59 HydrophobicContact CG2-CD1 4.16Å; I49-I229 HydrophobicContact CD1-CD1 4.22Å; I49-I229 HydrophobicContact CD1-CG2 4.25Å; I49-P258 HydrophobicContact CD1-CG 4.22Å
50	Q	83.8	Confident	82.4	Confident	135 Å²	135	58.1 Å²	58.1	63%	0.631	30%	0.295	S	S	*	.	H	α-helix	trans	-59.4	-45.5	-178.6	-162.6	71.5	44.4	0	0	112.2	L46 R47 G54	L46-Q50 PolarHBondContact O-N 3.4Å; R47-Q50 PolarHBondContact O-N 2.83Å; Q50-G54 PolarHBondContact NE2-O 3.07Å; Q50-G54 WeakPolarHBondContact O-CA 3.42Å; Q50-G54 PolarHBondContact O-N 2.93Å; Q50-G54 PolarHBondContact OE1-O 2.87Å
51	E	84.4	Confident	82.6	Confident	137 Å²	137	60.4 Å²	60.4	64%	0.64	31%	0.312	S	S	*	.	H	α-helix	trans	-70.9	-36.7	-178.8	-73.3	173.4	177.3	0	0	113.8	R47 I49	R47-E51 VanDerWaalsContact CD-OE1 3.31Å; R47-E51 WeakPolarHBondContact CD-OE1 3.45Å; R47-E51 HydrophobicContact CG-CG 4.32Å; R47-E51 VanDerWaalsContact CG-OE1 3.3Å; R47-E51 WeakPolarHBondContact CG-OE1 3.47Å; R47-E51 WeakPolarHBondContact O-CB 3.46Å; R47-E51 VanDerWaalsContact O-CG 3.31Å; R47-E51 WeakPolarHBondContact O-CG 3.44Å; R47-E51 PolarHBondContact O-N 3.39Å; I49-E51 PolarHBondContact O-N 3.29Å
52	S	81.5	Confident	83.2	Confident	39 Å²	39	59 Å²	59	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-103.1	-23.1	-168.1	-40.6	0	0	0	0	113.8	K48 I49	K48-S52 WeakPolarHBondContact CD-OG 3.49Å; K48-S52 VanDerWaalsContact CE-OG 3.22Å; K48-S52 WeakPolarHBondContact CE-OG 3.5Å; K48-S52 PolarHBondContact NZ-OG 3.14Å; K48-S52 WeakPolarHBondContact O-CB 3.35Å; K48-S52 PolarHBondContact O-N 3.17Å; K48-S52 PolarHBondContact O-OG 3.16Å; I49-S52 PolarHBondContact O-N 3.38Å
53	Y	81.7	Confident	83.8	Confident	26 Å²	26	56.6 Å²	56.6	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-134.8	-6.3	-172.5	-50.9	-58.7	0	0	0	113.8	I29 L37 I49 D55 I59 K62	I29-Y53 HydrophobicContact CD1-CD1 4.43Å; I29-Y53 HydrophobicContact CD1-CE1 3.62Å; I29-Y53 HydrophobicContact CD1-CE2 4.3Å; I29-Y53 WeakPolarHBondContact CD1-OH 3.47Å; I29-Y53 HydrophobicContact CG1-CE1 4.15Å; L37-Y53 HydrophobicContact CD2-CE2 4.1Å; I49-Y53 CarbonylContact O-C 3.58Å; I49-Y53 WeakPolarHBondContact O-CA 3.22Å; I49-Y53 PolarHBondContact O-N 2.95Å; Y53-D55 PolarHBondContact O-N 3.21Å; Y53-I59 HydrophobicContact CD1-CG1 4.41Å; Y53-I59 HydrophobicContact CD2-CD1 3.74Å; Y53-I59 HydrophobicContact CD2-CG1 3.64Å; Y53-I59 HydrophobicContact CE2-CD1 4.38Å; Y53-I59 HydrophobicContact CE2-CG1 4.43Å; Y53-I59 HydrophobicContact CG-CD1 4.25Å; Y53-I59 HydrophobicContact CG-CG1 3.63Å; Y53-K62 HydrophobicContact CD1-CD 3.64Å; Y53-K62 HydrophobicContact CE1-CD 4.02Å
54	G	83.1	Confident	84.4	Confident	36 Å²	36	57.9 Å²	57.9	37%	0.371	29%	0.289	S	S	.	.	S	Bend	trans	80.2	-56.4	-176	0	0	0	0	0	112.3	I49 Q50	I49-G54 PolarHBondContact O-N 3.02Å; Q50-G54 PolarHBondContact NE2-O 3.07Å; Q50-G54 WeakPolarHBondContact O-CA 3.42Å; Q50-G54 PolarHBondContact O-N 2.93Å; Q50-G54 PolarHBondContact OE1-O 2.87Å
55	D	82.9	Confident	84.8	Confident	70 Å²	70	54.9 Å²	54.9	37%	0.374	27%	0.274	S	S	.	.	S	Bend	trans	-159.3	-171.8	175.1	67.1	10.1	0	0	0	111.8	Y53 Y57 G58 I59	Y53-D55 PolarHBondContact O-N 3.21Å; D55-Y57 VanDerWaalsContact C-N 3.28Å; D55-Y57 PolarHBondContact O-N 3Å; D55-Y57 VanDerWaalsContact OD1-CA 3.31Å; D55-Y57 WeakPolarHBondContact OD1-CA 3.2Å; D55-Y57 VanDerWaalsContact OD1-CB 3.28Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.43Å; D55-Y57 PolarHBondContact OD1-N 2.88Å; D55-Y57 WeakPolarHBondContact OD2-CD2 3.06Å; D55-G58 PolarHBondContact O-N 3.36Å; D55-G58 PolarHBondContact OD1-N 3.46Å; D55-I59 PolarHBondContact O-N 3.34Å
56	V	83.8	Confident	85.2	Confident	16 Å²	16	56.7 Å²	56.7	10%	0.097	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-27.7	176.5	-172.6	0	0	0	0	112	I59 C60 I229 I231 V274	V56-I59 PolarHBondContact O-N 2.94Å; V56-C60 PolarHBondContact O-N 3.33Å; V56-C60 VanDerWaalsContact O-N 3.08Å; V56-C60 PolarHBondContact O-SG 2.88Å; V56-I229 HydrophobicContact CG1-CG2 3.92Å; V56-I229 HydrophobicContact CG2-CG2 3.86Å; V56-I231 HydrophobicContact CG1-CG1 4.09Å; V56-V274 HydrophobicContact CG1-CG1 4.29Å
57	Y	85.9	Confident	85.3	Confident	121 Å²	121	56 Å²	56	48%	0.475	28%	0.284	S	S	.	.	H	α-helix	trans	-71.9	-33.4	176.3	-62.8	-87.7	0	0	0	111.6	D55 I59 C60 T61 P67	D55-Y57 VanDerWaalsContact C-N 3.28Å; D55-Y57 PolarHBondContact O-N 3Å; D55-Y57 VanDerWaalsContact OD1-CA 3.31Å; D55-Y57 WeakPolarHBondContact OD1-CA 3.2Å; D55-Y57 VanDerWaalsContact OD1-CB 3.28Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.43Å; D55-Y57 PolarHBondContact OD1-N 2.88Å; D55-Y57 WeakPolarHBondContact OD2-CD2 3.06Å; Y57-I59 VanDerWaalsContact C-N 3.35Å; Y57-C60 PolarHBondContact O-N 3.4Å; Y57-T61 WeakPolarHBondContact O-CB 3.22Å; Y57-T61 PolarHBondContact O-N 2.94Å; Y57-T61 PolarHBondContact O-OG1 2.98Å; Y57-P67 HydrophobicContact CD1-CB 4.11Å; Y57-P67 HydrophobicContact CD1-CG 3.56Å; Y57-P67 HydrophobicContact CE1-CB 3.91Å; Y57-P67 HydrophobicContact CE1-CG 3.86Å
58	G	84.9	Confident	85.4	Confident	18 Å²	18	55.6 Å²	55.6	19%	0.186	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-38.2	170.1	0	0	0	0	0	112.9	D55 T61 K62	D55-G58 PolarHBondContact O-N 3.36Å; D55-G58 PolarHBondContact OD1-N 3.46Å; G58-T61 PolarHBondContact O-N 2.88Å; G58-K62 PolarHBondContact O-N 2.79Å
59	I	85.9	Confident	85.4	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.7	-46.9	171.9	-60.9	177.4	0	0	0	110.5	L37 I49 Y53 D55 V56 Y57 T61 K62 L63 I229	L37-I59 HydrophobicContact CD2-CD1 4.05Å; I49-I59 HydrophobicContact CG1-CD1 4.15Å; I49-I59 HydrophobicContact CG2-CD1 4.16Å; Y53-I59 HydrophobicContact CD1-CG1 4.41Å; Y53-I59 HydrophobicContact CD2-CD1 3.74Å; Y53-I59 HydrophobicContact CD2-CG1 3.64Å; Y53-I59 HydrophobicContact CE2-CD1 4.38Å; Y53-I59 HydrophobicContact CE2-CG1 4.43Å; Y53-I59 HydrophobicContact CG-CD1 4.25Å; Y53-I59 HydrophobicContact CG-CG1 3.63Å; D55-I59 PolarHBondContact O-N 3.34Å; V56-I59 PolarHBondContact O-N 2.94Å; Y57-I59 VanDerWaalsContact C-N 3.35Å; I59-T61 VanDerWaalsContact C-N 3.27Å; I59-T61 PolarHBondContact O-N 2.91Å; I59-K62 PolarHBondContact O-N 2.64Å; I59-L63 HydrophobicContact CG2-CD1 3.97Å; I59-L63 HydrophobicContact CG2-CG 4.49Å; I59-L63 WeakPolarHBondContact O-CB 3.45Å; I59-L63 WeakPolarHBondContact O-CG 3.38Å; I59-L63 PolarHBondContact O-N 3.36Å; I59-I229 HydrophobicContact CD1-CD1 3.6Å
60	C	86.5	Confident	85.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.007	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-40.8	176.5	-62.4	0	0	0	0	111.9	V56 Y57 L63 K64 T65 P67	V56-C60 PolarHBondContact O-N 3.33Å; V56-C60 VanDerWaalsContact O-N 3.08Å; V56-C60 PolarHBondContact O-SG 2.88Å; Y57-C60 PolarHBondContact O-N 3.4Å; C60-L63 CarbonylContact O-C 3.47Å; C60-L63 PolarHBondContact O-N 3.09Å; C60-K64 PolarHBondContact O-N 3.37Å; C60-K64 VanDerWaalsContact O-N 3.13Å; C60-T65 HydrophobicContact CB-CG2 3.91Å; C60-T65 PolarHBondContact O-N 2.84Å; C60-P67 HydrophobicContact CB-CG 4.11Å
61	T	86.8	Confident	86	Confident	106 Å²	106	50.9 Å²	50.9	65%	0.65	27%	0.272	S	S	*	.	H	α-helix	trans	-63.4	-47.8	176.7	-56.5	0	0	0	0	111.6	Y57 G58 I59 L63 K64	Y57-T61 WeakPolarHBondContact O-CB 3.22Å; Y57-T61 PolarHBondContact O-N 2.94Å; Y57-T61 PolarHBondContact O-OG1 2.98Å; G58-T61 PolarHBondContact O-N 2.88Å; I59-T61 VanDerWaalsContact C-N 3.27Å; I59-T61 PolarHBondContact O-N 2.91Å; T61-L63 VanDerWaalsContact C-N 3.29Å; T61-L63 PolarHBondContact O-N 3.29Å; T61-K64 PolarHBondContact O-N 3.31Å
62	K	87.6	Confident	86	Confident	60 Å²	60	48.8 Å²	48.8	26%	0.261	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-32.3	176.4	-80.5	174.8	161.5	-121.3	0	113.2	G28 I29 Y53 G58 I59 K64	G28-K62 PolarHBondContact N-O 3.09Å; G28-K62 WeakPolarHBondContact O-CD 3.18Å; G28-K62 VanDerWaalsContact O-CE 3.31Å; G28-K62 WeakPolarHBondContact O-CE 3.39Å; G28-K62 WeakPolarHBondContact O-CG 3.27Å; G28-K62 PolarHBondContact O-NZ 2.8Å; I29-K62 HydrophobicContact CB-CB 4.12Å; I29-K62 HydrophobicContact CB-CD 4.41Å; I29-K62 HydrophobicContact CG2-CB 4.03Å; Y53-K62 HydrophobicContact CD1-CD 3.64Å; Y53-K62 HydrophobicContact CE1-CD 4.02Å; G58-K62 PolarHBondContact O-N 2.79Å; I59-K62 PolarHBondContact O-N 2.64Å; K62-K64 VanDerWaalsContact C-N 3.3Å
63	L	87.9	Confident	85.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.1	174	-72.4	177.2	0	0	0	114.4	I29 L34 I59 C60 T61 T65 R81 F85 V212 V274	I29-L63 HydrophobicContact CG2-CD2 3.58Å; I29-L63 HydrophobicContact CG2-CG 4.01Å; L34-L63 HydrophobicContact CD1-CD2 4.22Å; I59-L63 HydrophobicContact CG2-CD1 3.97Å; I59-L63 HydrophobicContact CG2-CG 4.49Å; I59-L63 WeakPolarHBondContact O-CB 3.45Å; I59-L63 WeakPolarHBondContact O-CG 3.38Å; I59-L63 PolarHBondContact O-N 3.36Å; C60-L63 CarbonylContact O-C 3.47Å; C60-L63 PolarHBondContact O-N 3.09Å; T61-L63 VanDerWaalsContact C-N 3.29Å; T61-L63 PolarHBondContact O-N 3.29Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 HydrophobicContact CB-CG2 4.31Å; L63-T65 PolarHBondContact O-N 2.88Å; L63-R81 PolarHBondContact O-NH1 3.06Å; L63-R81 PolarHBondContact O-NH2 2.98Å; L63-R81 VanDerWaalsContact O-NH2 3.1Å; L63-F85 HydrophobicContact CD2-CZ 4.15Å; L63-V212 HydrophobicContact CD1-CG1 4.33Å; L63-V212 HydrophobicContact CD2-CG1 3.81Å; L63-V274 HydrophobicContact CD1-CG2 3.96Å
64	K	89.6	Confident	86.2	Confident	118 Å²	118	51.2 Å²	51.2	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	49.2	-175.6	-63.9	174.8	170.4	173.2	0	112	D26 F27 C60 T61 K62 R81	D26-K64 WeakPolarHBondContact O-CE 3.26Å; D26-K64 PolarHBondContact O-NZ 3.08Å; D26-K64 IonicContact OD1-NZ 2.63Å; D26-K64 PolarHBondContact OD1-NZ 2.91Å; F27-K64 HydrophobicContact CD1-CD 4.25Å; F27-K64 HydrophobicContact CD1-CG 4.48Å; F27-K64 HydrophobicContact CE1-CB 4.5Å; F27-K64 HydrophobicContact CE1-CD 4.32Å; C60-K64 PolarHBondContact O-N 3.37Å; C60-K64 VanDerWaalsContact O-N 3.13Å; T61-K64 PolarHBondContact O-N 3.31Å; K62-K64 VanDerWaalsContact C-N 3.3Å; K64-R81 PolarHBondContact O-NH2 3.28Å
65	T	89.9	Confident	86.4	Confident	14 Å²	14	53.5 Å²	53.5	9%	0.086	30%	0.301	C	S	.	.			trans	-128.2	148.8	177.8	-164.1	0	0	0	0	112.1	C60 L63 L71 G213 I215 V274	C60-T65 HydrophobicContact CB-CG2 3.91Å; C60-T65 PolarHBondContact O-N 2.84Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 HydrophobicContact CB-CG2 4.31Å; L63-T65 PolarHBondContact O-N 2.88Å; T65-L71 WeakPolarHBondContact OG1-CD2 3.28Å; T65-G213 VanDerWaalsContact CB-O 3.22Å; T65-G213 WeakPolarHBondContact CB-O 3.47Å; T65-G213 WeakPolarHBondContact CG2-O 3.37Å; T65-G213 PolarHBondContact OG1-O 3.42Å; T65-I215 HydrophobicContact CG2-CD1 4.29Å; T65-V274 HydrophobicContact CG2-CG2 4.25Å
66	S	89.4	Confident	86.7	Confident	37 Å²	37	52.6 Å²	52.6	26%	0.259	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-87.7	125.6	176	176	0	0	0	0	110.4	N68 E69 G70 I215	S66-N68 PolarHBondContact O-N 3.3Å; S66-N68 VanDerWaalsContact O-N 3.14Å; S66-E69 WeakPolarHBondContact OG-CB 3.4Å; S66-E69 PolarHBondContact OG-N 2.81Å; S66-E69 VanDerWaalsContact OG-N 3.1Å; S66-G70 PolarHBondContact N-O 3.43Å; S66-G70 WeakPolarHBondContact O-CA 3.28Å; S66-G70 PolarHBondContact O-N 2.81Å; S66-I215 WeakPolarHBondContact O-CG1 3.44Å
67	P	84.5	Confident	86.9	Confident	25 Å²	25	53 Å²	53	16%	0.162	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.4	176.7	-17.8	25.4	0	0	0	114.1	Y57 C60 I231	Y57-P67 HydrophobicContact CD1-CB 4.11Å; Y57-P67 HydrophobicContact CD1-CG 3.56Å; Y57-P67 HydrophobicContact CE1-CB 3.91Å; Y57-P67 HydrophobicContact CE1-CG 3.86Å; C60-P67 HydrophobicContact CB-CG 4.11Å; P67-I231 HydrophobicContact CB-CG2 4.34Å
68	N	84.1	Confident	87.1	Confident	114 Å²	114	48.7 Å²	48.7	61%	0.61	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-34.7	-176.6	-74.9	-31.6	0	0	0	113.5	S66	S66-N68 PolarHBondContact O-N 3.3Å; S66-N68 VanDerWaalsContact O-N 3.14Å
69	E	84.1	Confident	87.3	Confident	120 Å²	120	54.4 Å²	54.4	56%	0.561	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-13	-174.2	-58.1	174.4	159.7	0	0	113.5	S66 R198 G199 G200	S66-E69 WeakPolarHBondContact OG-CB 3.4Å; S66-E69 PolarHBondContact OG-N 2.81Å; S66-E69 VanDerWaalsContact OG-N 3.1Å; E69-R198 CarbonylContact O-C 3.57Å; E69-G199 PolarHBondContact O-N 3.3Å; E69-G200 PolarHBondContact O-N 3.13Å
70	G	89.6	Confident	87.4	Confident	7 Å²	7	58.6 Å²	58.6	7%	0.072	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	69.4	-147	-177.2	0	0	0	0	0	114.7	S66 I197	S66-G70 PolarHBondContact N-O 3.43Å; S66-G70 WeakPolarHBondContact O-CA 3.28Å; S66-G70 PolarHBondContact O-N 2.81Å; G70-I197 WeakPolarHBondContact CA-O 3.37Å
71	L	91.6	Very high	87.6	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-79.7	150.4	175.9	-62.3	-178	0	0	0	110.8	T65 G73 L78 R198 G199 T211	T65-L71 WeakPolarHBondContact OG1-CD2 3.28Å; L71-G73 PolarHBondContact O-N 2.9Å; L71-G73 VanDerWaalsContact O-N 3.1Å; L71-L78 HydrophobicContact CD1-CD2 3.83Å; L71-R198 HydrophobicContact CB-CG 4.41Å; L71-R198 CarbonylContact O-C 3.52Å; L71-R198 WeakPolarHBondContact O-CA 3.35Å; L71-R198 WeakPolarHBondContact O-CB 3.26Å; L71-G199 PolarHBondContact O-N 3.47Å; L71-T211 WeakPolarHBondContact CD1-OG1 3.3Å
72	S	84	Confident	87.8	Confident	93 Å²	93	57 Å²	57	65%	0.65	31%	0.312	S	S	*	.			trans	-67.6	-8	179.2	60.3	0	0	0	0	114.8	N74	S72-N74 PolarHBondContact O-N 3.39Å
73	G	79.6	Confident	87.8	Confident	34 Å²	34	58.2 Å²	58.2	35%	0.351	33%	0.334	S	S	.	.			trans	74.5	5.9	-178.8	0	0	0	0	0	115.2	L71 P75	L71-G73 PolarHBondContact O-N 2.9Å; L71-G73 VanDerWaalsContact O-N 3.1Å; G73-P75 WeakPolarHBondContact O-CD 3.04Å
74	N	88.7	Confident	87.9	Confident	82 Å²	82	61.6 Å²	61.6	44%	0.439	35%	0.354	S	S	.	.			trans	-63.2	119.9	175.9	-179.8	-7.7	0	0	0	110.5	S72 A76 D77 L78	S72-N74 PolarHBondContact O-N 3.39Å; N74-A76 VanDerWaalsContact C-N 3.26Å; N74-A76 PolarHBondContact O-N 2.98Å; N74-A76 PolarHBondContact OD1-N 3.19Å; N74-A76 VanDerWaalsContact OD1-N 3.11Å; N74-D77 HydrophobicContact CB-CB 4.29Å; N74-D77 WeakPolarHBondContact O-CB 3.24Å; N74-D77 PolarHBondContact O-N 3.19Å; N74-L78 PolarHBondContact O-N 2.89Å
75	P	88.1	Confident	87.9	Confident	83 Å²	83	56 Å²	56	54%	0.539	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-36.3	-177.2	23	-33.7	0	0	0	112.8	G73 D77 L78 E79	G73-P75 WeakPolarHBondContact O-CD 3.04Å; P75-D77 PolarHBondContact O-N 3.31Å; P75-L78 PolarHBondContact O-N 2.81Å; P75-L78 VanDerWaalsContact O-N 3.13Å; P75-E79 WeakPolarHBondContact O-CG 3.14Å; P75-E79 PolarHBondContact O-N 3.29Å
76	A	88.2	Confident	87.9	Confident	51 Å²	51	56.5 Å²	56.5	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-71	-9.8	178	0	0	0	0	0	113.8	N74 R80	N74-A76 VanDerWaalsContact C-N 3.26Å; N74-A76 PolarHBondContact O-N 2.98Å; N74-A76 PolarHBondContact OD1-N 3.19Å; N74-A76 VanDerWaalsContact OD1-N 3.11Å; A76-R80 PolarHBondContact O-NH2 2.63Å
77	D	88.3	Confident	88	Confident	25 Å²	25	58.7 Å²	58.7	13%	0.134	34%	0.342	C	S	.	.	H	α-helix	trans	-89.1	-40.2	167.5	-156.9	64.5	0	0	0	111.6	N74 P75 R80 R81	N74-D77 HydrophobicContact CB-CB 4.29Å; N74-D77 WeakPolarHBondContact O-CB 3.24Å; N74-D77 PolarHBondContact O-N 3.19Å; P75-D77 PolarHBondContact O-N 3.31Å; D77-R80 PolarHBondContact O-N 3.15Å; D77-R80 IonicContact OD1-CZ 2.7Å; D77-R80 IonicContact OD1-NH1 2.94Å; D77-R80 PolarHBondContact OD1-NH1 3.48Å; D77-R80 IonicContact OD1-NH2 3.39Å; D77-R80 PolarHBondContact OD1-NH2 2.89Å; D77-R81 WeakPolarHBondContact O-CG 3.38Å; D77-R81 PolarHBondContact O-N 3.02Å; D77-R81 IonicContact OD2-CZ 3.69Å; D77-R81 VanDerWaalsContact OD2-CZ 3.31Å; D77-R81 IonicContact OD2-NE 3.08Å; D77-R81 PolarHBondContact OD2-NE 2.73Å; D77-R81 IonicContact OD2-NH2 2.78Å; D77-R81 PolarHBondContact OD2-NH2 3.34Å
78	L	89.4	Confident	88.2	Confident	31 Å²	31	58.2 Å²	58.2	16%	0.162	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-45.7	176.8	-60.1	175	0	0	0	111.6	L71 N74 P75 R80 R81 E82 T211	L71-L78 HydrophobicContact CD1-CD2 3.83Å; N74-L78 PolarHBondContact O-N 2.89Å; P75-L78 PolarHBondContact O-N 2.81Å; P75-L78 VanDerWaalsContact O-N 3.13Å; L78-R80 VanDerWaalsContact C-N 3.27Å; L78-R80 PolarHBondContact O-N 3.36Å; L78-R81 PolarHBondContact O-N 2.9Å; L78-E82 PolarHBondContact O-N 2.78Å; L78-T211 HydrophobicContact CB-CG2 4.47Å; L78-T211 HydrophobicContact CD2-CG2 4.14Å
79	E	88.7	Confident	88.3	Confident	137 Å²	137	57.5 Å²	57.5	64%	0.64	33%	0.33	S	S	*	.	H	α-helix	trans	-59.7	-36.7	174.2	-71.9	175.2	-177.9	0	0	112.2	P75 E82 A83	P75-E79 WeakPolarHBondContact O-CG 3.14Å; P75-E79 PolarHBondContact O-N 3.29Å; E79-E82 PolarHBondContact O-N 2.64Å; E79-A83 WeakPolarHBondContact O-CB 3.42Å; E79-A83 PolarHBondContact O-N 3.46Å
80	R	88.6	Confident	88	Confident	88 Å²	88	54.3 Å²	54.3	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-71.6	-36.4	177.3	-152.9	-173.8	-37	104.7	20.7	111.8	A76 D77 L78 A83 V84	A76-R80 PolarHBondContact O-NH2 2.63Å; D77-R80 PolarHBondContact O-N 3.15Å; D77-R80 IonicContact OD1-CZ 2.7Å; D77-R80 IonicContact OD1-NH1 2.94Å; D77-R80 PolarHBondContact OD1-NH1 3.48Å; D77-R80 IonicContact OD1-NH2 3.39Å; D77-R80 PolarHBondContact OD1-NH2 2.89Å; L78-R80 VanDerWaalsContact C-N 3.27Å; L78-R80 PolarHBondContact O-N 3.36Å; R80-A83 PolarHBondContact O-N 3.11Å; R80-V84 WeakPolarHBondContact O-CB 3.44Å; R80-V84 VanDerWaalsContact O-CG2 3.31Å; R80-V84 WeakPolarHBondContact O-CG2 2.9Å; R80-V84 PolarHBondContact O-N 2.81Å
81	R	91.3	Very high	87	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-41.5	172.6	-71.3	168.3	-170.7	-82.7	-8.3	111.3	F27 L63 K64 D77 L78 A83 V84 F85 V212	F27-R81 HydrophobicContact CZ-CG 4Å; L63-R81 PolarHBondContact O-NH1 3.06Å; L63-R81 PolarHBondContact O-NH2 2.98Å; L63-R81 VanDerWaalsContact O-NH2 3.1Å; K64-R81 PolarHBondContact O-NH2 3.28Å; D77-R81 WeakPolarHBondContact O-CG 3.38Å; D77-R81 PolarHBondContact O-N 3.02Å; D77-R81 IonicContact OD2-CZ 3.69Å; D77-R81 VanDerWaalsContact OD2-CZ 3.31Å; D77-R81 IonicContact OD2-NE 3.08Å; D77-R81 PolarHBondContact OD2-NE 2.73Å; D77-R81 IonicContact OD2-NH2 2.78Å; D77-R81 PolarHBondContact OD2-NH2 3.34Å; L78-R81 PolarHBondContact O-N 2.9Å; R81-A83 VanDerWaalsContact C-N 3.34Å; R81-A83 PolarHBondContact O-N 3.24Å; R81-V84 PolarHBondContact O-N 3.34Å; R81-F85 HydrophobicContact CB-CD2 4.4Å; R81-F85 WeakPolarHBondContact O-CB 3.16Å; R81-F85 PolarHBondContact O-N 2.81Å; R81-V212 WeakPolarHBondContact CD-O 3.28Å; R81-V212 PolarHBondContact NH1-O 3.09Å
82	E	89.8	Confident	86	Confident	71 Å²	71	60.9 Å²	60.9	33%	0.332	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-42.5	173.5	-178.2	169.5	158.4	0	0	111.7	L78 E79 V84 G86 K87	L78-E82 PolarHBondContact O-N 2.78Å; E79-E82 PolarHBondContact O-N 2.64Å; E82-V84 PolarHBondContact O-N 3.24Å; E82-G86 CarbonylContact O-C 3.37Å; E82-G86 WeakPolarHBondContact O-CA 3.1Å; E82-G86 PolarHBondContact O-N 2.91Å; E82-K87 HydrophobicContact CG-CB 3.88Å; E82-K87 HydrophobicContact CG-CG 4.2Å; E82-K87 VanDerWaalsContact OE1-CD 3.26Å; E82-K87 WeakPolarHBondContact OE1-CD 3.31Å; E82-K87 WeakPolarHBondContact OE1-CG 3.49Å; E82-K87 IonicContact OE1-NZ 2.94Å; E82-K87 PolarHBondContact OE1-NZ 3.24Å; E82-K87 IonicContact OE2-NZ 2.75Å; E82-K87 PolarHBondContact OE2-NZ 2.95Å
83	A	88.4	Confident	85.1	Confident	87 Å²	87	65 Å²	65	72%	0.719	36%	0.364	S	S	*	.	H	α-helix	trans	-68.1	-30.3	177.7	0	0	0	0	0	114.3	E79 R80 R81	E79-A83 WeakPolarHBondContact O-CB 3.42Å; E79-A83 PolarHBondContact O-N 3.46Å; R80-A83 PolarHBondContact O-N 3.11Å; R81-A83 VanDerWaalsContact C-N 3.34Å; R81-A83 PolarHBondContact O-N 3.24Å
84	V	89.9	Confident	84.8	Confident	71 Å²	71	71.7 Å²	71.7	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-92.9	-38.8	-177.3	173.1	0	0	0	0	113.1	F27 R80 R81 E82	F27-V84 HydrophobicContact CD2-CG1 4.3Å; F27-V84 HydrophobicContact CE2-CG2 4.45Å; R80-V84 WeakPolarHBondContact O-CB 3.44Å; R80-V84 VanDerWaalsContact O-CG2 3.31Å; R80-V84 WeakPolarHBondContact O-CG2 2.9Å; R80-V84 PolarHBondContact O-N 2.81Å; R81-V84 PolarHBondContact O-N 3.34Å; E82-V84 PolarHBondContact O-N 3.24Å
85	F	90.6	Very high	84.3	Confident	1 Å²	1	71.1 Å²	71.1	0%	0.004	38%	0.384	C	S	.	.	H	α-helix	trans	-113.5	-8.5	-172.8	-56.4	-74.2	0	0	0	114.1	F27 L31 L34 L63 R81 V212 N281	F27-F85 HydrophobicContact CB-CZ 4.12Å; F27-F85 AromaticContact CD2-CE2 3.83Å; F27-F85 HydrophobicContact CD2-CE2 3.83Å; F27-F85 HydrophobicContact CD2-CZ 4.04Å; F27-F85 HydrophobicContact CE2-CE2 4.02Å; F27-F85 HydrophobicContact CG-CE2 4.11Å; F27-F85 HydrophobicContact CG-CZ 4.05Å; F27-F85 HydrophobicContact CZ-CE2 4.46Å; L31-F85 HydrophobicContact CB-CD1 4.1Å; L31-F85 HydrophobicContact CD1-CB 4.37Å; L31-F85 HydrophobicContact CD1-CD1 4.3Å; L34-F85 HydrophobicContact CD1-CD1 3.87Å; L34-F85 HydrophobicContact CD1-CE1 3.65Å; L63-F85 HydrophobicContact CD2-CZ 4.15Å; R81-F85 HydrophobicContact CB-CD2 4.4Å; R81-F85 WeakPolarHBondContact O-CB 3.16Å; R81-F85 PolarHBondContact O-N 2.81Å; F85-V212 HydrophobicContact CB-CB 3.84Å; F85-V212 HydrophobicContact CB-CG1 4.44Å; F85-V212 HydrophobicContact CB-CG2 3.65Å; F85-V212 HydrophobicContact CD1-CB 4.48Å; F85-V212 HydrophobicContact CD1-CG1 4.18Å; F85-V212 HydrophobicContact CD2-CB 3.97Å; F85-V212 HydrophobicContact CD2-CG1 4.19Å; F85-V212 HydrophobicContact CG-CB 3.86Å; F85-V212 HydrophobicContact CG-CG1 4.02Å; F85-V212 HydrophobicContact CG-CG2 4.15Å; F85-N281 PolarHBondContact O-ND2 3.22Å
86	G	89.4	Confident	84	Confident	23 Å²	23	70.4 Å²	70.4	24%	0.237	37%	0.373	C	S	.	.			trans	94.4	168.9	-177.5	0	0	0	0	0	114	E82 V278	E82-G86 CarbonylContact O-C 3.37Å; E82-G86 WeakPolarHBondContact O-CA 3.1Å; E82-G86 PolarHBondContact O-N 2.91Å; G86-V278 WeakPolarHBondContact O-CG2 3.41Å
87	K	90.4	Very high	84.1	Confident	84 Å²	84	72 Å²	72	37%	0.365	38%	0.377	S	S	.	.			trans	-92	148.6	177.3	-162.1	-179.1	-160.5	72.5	0	111	E82 F89	E82-K87 HydrophobicContact CG-CB 3.88Å; E82-K87 HydrophobicContact CG-CG 4.2Å; E82-K87 VanDerWaalsContact OE1-CD 3.26Å; E82-K87 WeakPolarHBondContact OE1-CD 3.31Å; E82-K87 WeakPolarHBondContact OE1-CG 3.49Å; E82-K87 IonicContact OE1-NZ 2.94Å; E82-K87 PolarHBondContact OE1-NZ 3.24Å; E82-K87 IonicContact OE2-NZ 2.75Å; E82-K87 PolarHBondContact OE2-NZ 2.95Å; K87-F89 HydrophobicContact CD-CB 4.16Å; K87-F89 HydrophobicContact CG-CB 4.31Å; K87-F89 PolarHBondContact O-N 3.1Å
88	N	90.2	Very high	84.1	Confident	15 Å²	15	74.6 Å²	74.6	8%	0.08	39%	0.387	C	S	.	.	S	Bend	trans	-77.3	53.5	172.5	-156.6	35.3	0	0	0	113.4	V207 A208 I210 P225 V278 G279	N88-V207 PolarHBondContact ND2-O 3.39Å; N88-A208 WeakPolarHBondContact O-CA 3.42Å; N88-I210 HydrophobicContact CB-CB 4.43Å; N88-I210 WeakPolarHBondContact CB-O 3.4Å; N88-P225 PolarHBondContact ND2-O 3.1Å; N88-P225 PolarHBondContact OD1-O 3.2Å; N88-V278 HydrophobicContact CB-CB 3.83Å; N88-V278 HydrophobicContact CB-CG1 4.14Å; N88-V278 WeakPolarHBondContact OD1-CA 3.44Å; N88-V278 WeakPolarHBondContact OD1-CB 3.17Å; N88-G279 PolarHBondContact OD1-N 2.82Å
89	F	85.2	Confident	84.2	Confident	98 Å²	98	79.5 Å²	79.5	43%	0.43	41%	0.413	S	S	.	.			trans	-138.3	122.4	-179.6	-178.2	-106.4	0	0	0	110.3	K87 P91	K87-F89 HydrophobicContact CD-CB 4.16Å; K87-F89 HydrophobicContact CG-CB 4.31Å; K87-F89 PolarHBondContact O-N 3.1Å; F89-P91 HydrophobicContact CE1-CB 4.32Å
90	I	78	Confident	84.2	Confident	54 Å²	54	77.5 Å²	77.5	28%	0.277	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-93.5	116.1	172.9	-61.3	171.1	0	0	0	107	V280 F288	I90-V280 HydrophobicContact CG1-CG1 4.5Å; I90-F288 HydrophobicContact CG2-CD1 3.82Å; I90-F288 HydrophobicContact CG2-CE1 4.39Å
91	P	69.1	Low	84.1	Confident	67 Å²	67	73.7 Å²	73.7	44%	0.435	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-67.4	126	-173.7	26	-33.6	0	0	0	111.1	F89	F89-P91 HydrophobicContact CE1-CB 4.32Å
92	P	70.4	Confident	84	Confident	81 Å²	81	74.9 Å²	74.9	53%	0.526	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-67.4	154.2	174.4	28.4	-34.6	0	0	0	110.6	K94	P92-K94 PolarHBondContact O-N 3.14Å
93	K	65.1	Low	84	Confident	181 Å²	181	79.3 Å²	79.3	79%	0.787	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-52.5	128.9	177.1	-176.4	168.4	-177.1	167.4	0	110.5
94	K	73.1	Confident	83.7	Confident	173 Å²	173	79.3 Å²	79.3	75%	0.752	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-49.9	129	179.9	-66.9	173.3	-177.6	168.7	0	109.6	P92	P92-K94 PolarHBondContact O-N 3.14Å
95	P	77.3	Confident	83.2	Confident	70 Å²	70	77.1 Å²	77.1	46%	0.455	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-66.6	161.6	-179	29.5	-36.2	0	0	0	111
96	K	83.1	Confident	82.9	Confident	69 Å²	69	79.3 Å²	79.3	30%	0.3	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-63.4	143.6	175.7	-67.5	178.6	178.7	176.7	0	109.8	L101 E104 E178	K96-L101 HydrophobicContact CB-CD2 4.16Å; K96-L101 HydrophobicContact CB-CG 4.04Å; K96-L101 HydrophobicContact CD-CD2 3.59Å; K96-L101 HydrophobicContact CD-CG 4.35Å; K96-E104 WeakPolarHBondContact CD-OE2 3.5Å; K96-E104 VanDerWaalsContact CE-OE2 3.3Å; K96-E104 WeakPolarHBondContact CE-OE2 3.23Å; K96-E104 IonicContact NZ-OE1 2.6Å; K96-E104 PolarHBondContact NZ-OE1 3.38Å; K96-E104 IonicContact NZ-OE2 3.9Å; K96-E104 PolarHBondContact NZ-OE2 3.34Å; K96-E178 PolarHBondContact N-OE2 2.85Å
97	T	90.1	Very high	82.7	Confident	83 Å²	83	83.8 Å²	83.8	51%	0.509	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-77.1	156.2	171.3	70.7	0	0	0	0	109.8	L99 Q100 L101	T97-L99 PolarHBondContact O-N 2.95Å; T97-Q100 WeakPolarHBondContact O-CB 3.49Å; T97-Q100 PolarHBondContact O-N 3.34Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.43Å; T97-Q100 PolarHBondContact OG1-N 3.1Å; T97-Q100 VanDerWaalsContact OG1-N 3.09Å; T97-L101 PolarHBondContact O-N 3.4Å
98	F	88.8	Confident	82	Confident	81 Å²	81	82.9 Å²	82.9	36%	0.355	41%	0.411	S	S	.	.	H	α-helix	trans	-56.3	-40.5	174.7	175.1	-101.8	0	0	0	111.8	Q100 L101 V102 L168 A171 F172 W175	F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 2.78Å; F98-L101 PolarHBondContact O-N 3.19Å; F98-V102 HydrophobicContact CD1-CG2 4.27Å; F98-V102 HydrophobicContact CE1-CG2 3.79Å; F98-V102 HydrophobicContact CE2-CG2 4.34Å; F98-V102 HydrophobicContact CZ-CG2 3.83Å; F98-V102 WeakPolarHBondContact O-CG2 3.28Å; F98-V102 PolarHBondContact O-N 2.78Å; F98-L168 HydrophobicContact CE1-CD2 4.2Å; F98-L168 HydrophobicContact CZ-CD2 4.03Å; F98-A171 HydrophobicContact CE2-CB 4.08Å; F98-F172 HydrophobicContact CE2-CB 4.21Å; F98-W175 HydrophobicContact CD2-CB 4.1Å; F98-W175 HydrophobicContact CD2-CG 4.3Å
99	L	90.6	Very high	81.3	Confident	134 Å²	134	86.9 Å²	86.9	70%	0.702	44%	0.436	S	S	*	.	H	α-helix	trans	-66.2	-33.4	176.9	-169.1	149.8	0	0	0	112.4	T97 V102 W103	T97-L99 PolarHBondContact O-N 2.95Å; L99-V102 PolarHBondContact O-N 2.7Å; L99-W103 WeakPolarHBondContact O-CB 3.19Å; L99-W103 PolarHBondContact O-N 2.72Å
100	Q	89.3	Confident	80.6	Confident	95 Å²	95	83.4 Å²	83.4	44%	0.444	42%	0.422	S	S	.	.	H	α-helix	trans	-67.5	-38	172.7	-175.5	176.7	9.8	0	0	112.1	T97 F98 W103 E104	T97-Q100 WeakPolarHBondContact O-CB 3.49Å; T97-Q100 PolarHBondContact O-N 3.34Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.43Å; T97-Q100 PolarHBondContact OG1-N 3.1Å; T97-Q100 VanDerWaalsContact OG1-N 3.09Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 2.78Å; Q100-W103 PolarHBondContact O-N 3.13Å; Q100-E104 WeakPolarHBondContact O-CB 3.43Å; Q100-E104 PolarHBondContact O-N 3.25Å
101	L	85.9	Confident	80.6	Confident	7 Å²	7	81.2 Å²	81.2	4%	0.037	41%	0.411	C	S	.	.	H	α-helix	trans	-68.1	-38.6	174.4	-69.2	169.1	0	0	0	112	K96 T97 F98 E104 A105 A171 W175	K96-L101 HydrophobicContact CB-CD2 4.16Å; K96-L101 HydrophobicContact CB-CG 4.04Å; K96-L101 HydrophobicContact CD-CD2 3.59Å; K96-L101 HydrophobicContact CD-CG 4.35Å; T97-L101 PolarHBondContact O-N 3.4Å; F98-L101 PolarHBondContact O-N 3.19Å; L101-E104 PolarHBondContact O-N 2.99Å; L101-A105 WeakPolarHBondContact O-CB 3.17Å; L101-A105 PolarHBondContact O-N 2.67Å; L101-A171 HydrophobicContact CB-CB 4.25Å; L101-W175 HydrophobicContact CD1-CB 3.84Å
102	V	88.7	Confident	81.1	Confident	27 Å²	27	81.1 Å²	81.1	16%	0.164	41%	0.407	C	S	.	.	H	α-helix	trans	-59.6	-45.8	170.6	167.9	0	0	0	0	110.9	F98 L99 E104 A105 L106 V167 L168 A171	F98-V102 HydrophobicContact CD1-CG2 4.27Å; F98-V102 HydrophobicContact CE1-CG2 3.79Å; F98-V102 HydrophobicContact CE2-CG2 4.34Å; F98-V102 HydrophobicContact CZ-CG2 3.83Å; F98-V102 WeakPolarHBondContact O-CG2 3.28Å; F98-V102 PolarHBondContact O-N 2.78Å; L99-V102 PolarHBondContact O-N 2.7Å; V102-E104 PolarHBondContact O-N 2.96Å; V102-A105 PolarHBondContact O-N 3.41Å; V102-L106 HydrophobicContact CG1-CD1 4.15Å; V102-L106 WeakPolarHBondContact O-CG 3.43Å; V102-L106 PolarHBondContact O-N 3.06Å; V102-V167 HydrophobicContact CG1-CG1 3.95Å; V102-L168 HydrophobicContact CG2-CD2 4.09Å; V102-A171 HydrophobicContact CB-CB 4.32Å; V102-A171 HydrophobicContact CG2-CB 3.51Å
103	W	90.6	Very high	81.4	Confident	164 Å²	164	80.3 Å²	80.3	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-64.7	-36.7	177.4	-176.9	-94	0	0	0	113.1	L99 Q100 L106 Q107	L99-W103 WeakPolarHBondContact O-CB 3.19Å; L99-W103 PolarHBondContact O-N 2.72Å; Q100-W103 PolarHBondContact O-N 3.13Å; W103-L106 PolarHBondContact O-N 2.78Å; W103-Q107 WeakPolarHBondContact O-CG 3.33Å; W103-Q107 PolarHBondContact O-N 3.29Å
104	E	82.8	Confident	81.8	Confident	88 Å²	88	71.9 Å²	71.9	41%	0.411	36%	0.36	S	S	.	.	H	α-helix	trans	-71.7	-34.8	177.4	-167.7	170.3	-174.8	0	0	112.1	K96 Q100 L101 V102 Q107	K96-E104 WeakPolarHBondContact CD-OE2 3.5Å; K96-E104 VanDerWaalsContact CE-OE2 3.3Å; K96-E104 WeakPolarHBondContact CE-OE2 3.23Å; K96-E104 IonicContact NZ-OE1 2.6Å; K96-E104 PolarHBondContact NZ-OE1 3.38Å; K96-E104 IonicContact NZ-OE2 3.9Å; K96-E104 PolarHBondContact NZ-OE2 3.34Å; Q100-E104 WeakPolarHBondContact O-CB 3.43Å; Q100-E104 PolarHBondContact O-N 3.25Å; L101-E104 PolarHBondContact O-N 2.99Å; V102-E104 PolarHBondContact O-N 2.96Å; E104-Q107 PolarHBondContact O-N 3.12Å
105	A	79.8	Confident	82.3	Confident	25 Å²	25	66 Å²	66	21%	0.207	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-34.6	171.4	0	0	0	0	0	112.7	L101 V102 Q107 D108 V167	L101-A105 WeakPolarHBondContact O-CB 3.17Å; L101-A105 PolarHBondContact O-N 2.67Å; V102-A105 PolarHBondContact O-N 3.41Å; A105-Q107 PolarHBondContact O-N 2.87Å; A105-D108 PolarHBondContact O-N 3.35Å; A105-V167 HydrophobicContact CB-CG1 4.2Å
106	L	84	Confident	82.5	Confident	47 Å²	47	67.4 Å²	67.4	25%	0.246	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-6.5	172.6	-72.8	165.9	0	0	0	114	V102 W103 I112 E115 V167	V102-L106 HydrophobicContact CG1-CD1 4.15Å; V102-L106 WeakPolarHBondContact O-CG 3.43Å; V102-L106 PolarHBondContact O-N 3.06Å; W103-L106 PolarHBondContact O-N 2.78Å; L106-I112 WeakPolarHBondContact O-CG1 3.3Å; L106-E115 WeakPolarHBondContact CD2-OE1 3.19Å; L106-V167 HydrophobicContact CD1-CG1 4.48Å; L106-V167 HydrophobicContact CD2-CB 4.49Å; L106-V167 HydrophobicContact CD2-CG1 4.07Å; L106-V167 HydrophobicContact CD2-CG2 3.88Å; L106-V167 HydrophobicContact CG-CG1 3.86Å; L106-V167 HydrophobicContact CG-CG2 4.36Å
107	Q	83.6	Confident	82	Confident	117 Å²	117	64.4 Å²	64.4	55%	0.547	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3.8	177.3	-73	-173.8	-20.1	0	0	114.1	W103 E104 A105 V109	W103-Q107 WeakPolarHBondContact O-CG 3.33Å; W103-Q107 PolarHBondContact O-N 3.29Å; E104-Q107 PolarHBondContact O-N 3.12Å; A105-Q107 PolarHBondContact O-N 2.87Å; Q107-V109 PolarHBondContact O-N 3.49Å
108	D	77	Confident	81.5	Confident	65 Å²	65	60.4 Å²	60.4	35%	0.348	30%	0.302	S	S	.	.			trans	-69.3	126.6	171.3	-161.8	-73.8	0	0	0	111.4	A105 T110 L111 I112	A105-D108 PolarHBondContact O-N 3.35Å; D108-T110 PolarHBondContact O-N 3.31Å; D108-T110 WeakPolarHBondContact OD1-CA 3.43Å; D108-T110 WeakPolarHBondContact OD1-CB 3.38Å; D108-T110 PolarHBondContact OD1-N 3.01Å; D108-T110 PolarHBondContact OD1-OG1 2.71Å; D108-L111 HydrophobicContact CB-CB 4.43Å; D108-L111 HydrophobicContact CB-CD1 4.26Å; D108-L111 HydrophobicContact CB-CG 4.21Å; D108-L111 PolarHBondContact O-N 3.18Å; D108-I112 WeakPolarHBondContact O-CG1 3.31Å; D108-I112 PolarHBondContact O-N 3.45Å
109	V	74.6	Confident	81.3	Confident	99 Å²	99	61.3 Å²	61.3	60%	0.6	31%	0.309	S	S	*	.	H	α-helix	trans	-61	-31.4	-177.7	179.9	0	0	0	0	111.6	Q107 I113	Q107-V109 PolarHBondContact O-N 3.49Å; V109-I113 HydrophobicContact CG1-CD1 3.87Å; V109-I113 HydrophobicContact CG1-CG1 4.45Å; V109-I113 WeakPolarHBondContact O-CB 3.4Å; V109-I113 WeakPolarHBondContact O-CD1 3.02Å; V109-I113 WeakPolarHBondContact O-CG1 3.36Å; V109-I113 PolarHBondContact O-N 2.75Å
110	T	71.6	Confident	80.7	Confident	24 Å²	24	58 Å²	58	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-70.2	-43.1	-179.6	-31.5	0	0	0	0	110.9	D108 I113 L114 L427 V428	D108-T110 PolarHBondContact O-N 3.31Å; D108-T110 WeakPolarHBondContact OD1-CA 3.43Å; D108-T110 WeakPolarHBondContact OD1-CB 3.38Å; D108-T110 PolarHBondContact OD1-N 3.01Å; D108-T110 PolarHBondContact OD1-OG1 2.71Å; T110-I113 PolarHBondContact O-N 3.06Å; T110-L114 PolarHBondContact O-N 2.94Å; T110-L114 VanDerWaalsContact O-N 3.13Å; T110-L427 HydrophobicContact CG2-CD2 4.29Å; T110-L427 HydrophobicContact CG2-CG 4.3Å; T110-V428 HydrophobicContact CG2-CG2 3.68Å
111	L	76.3	Confident	79.9	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-43.3	174.5	-62.7	-179.6	0	0	0	111.3	D108 I113 L114 E115 V163 V167	D108-L111 HydrophobicContact CB-CB 4.43Å; D108-L111 HydrophobicContact CB-CD1 4.26Å; D108-L111 HydrophobicContact CB-CG 4.21Å; D108-L111 PolarHBondContact O-N 3.18Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 3.36Å; L111-L114 CarbonylContact O-C 3.59Å; L111-L114 WeakPolarHBondContact O-CB 3.29Å; L111-L114 PolarHBondContact O-N 2.59Å; L111-L114 VanDerWaalsContact O-N 3.08Å; L111-E115 PolarHBondContact O-N 2.92Å; L111-V163 HydrophobicContact CB-CG1 4.47Å; L111-V163 HydrophobicContact CD2-CG1 4.4Å; L111-V167 HydrophobicContact CD1-CG2 3.91Å
112	I	81.4	Confident	79.6	Confident	65 Å²	65	55.7 Å²	55.7	33%	0.333	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-42.5	175.9	-68.3	165	0	0	0	111.5	L106 D108 L114 E115 I116	L106-I112 WeakPolarHBondContact O-CG1 3.3Å; D108-I112 WeakPolarHBondContact O-CG1 3.31Å; D108-I112 PolarHBondContact O-N 3.45Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 3.29Å; I112-E115 PolarHBondContact O-N 3.17Å; I112-I116 HydrophobicContact CG2-CD1 3.84Å; I112-I116 WeakPolarHBondContact O-CB 3.27Å; I112-I116 VanDerWaalsContact O-CG1 3.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 2.94Å
113	I	75.4	Confident	78.9	Confident	64 Å²	64	56.6 Å²	56.6	33%	0.328	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-39.1	175.8	-73.1	166.6	0	0	0	111	V109 T110 L111 A117 F420 V424	V109-I113 HydrophobicContact CG1-CD1 3.87Å; V109-I113 HydrophobicContact CG1-CG1 4.45Å; V109-I113 WeakPolarHBondContact O-CB 3.4Å; V109-I113 WeakPolarHBondContact O-CD1 3.02Å; V109-I113 WeakPolarHBondContact O-CG1 3.36Å; V109-I113 PolarHBondContact O-N 2.75Å; T110-I113 PolarHBondContact O-N 3.06Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 3.36Å; I113-A117 WeakPolarHBondContact O-CB 3.18Å; I113-A117 PolarHBondContact O-N 3.39Å; I113-F420 HydrophobicContact CG2-CE1 4.3Å; I113-F420 HydrophobicContact CG2-CZ 4.3Å; I113-V424 HydrophobicContact CG2-CG1 4.1Å; I113-V424 HydrophobicContact CG2-CG2 3.7Å
114	L	74.1	Confident	77.9	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-69.6	-40.5	177.8	-175.9	60.2	0	0	0	112.5	T110 L111 I112 A117 A118 I159 V163 V424 L888	T110-L114 PolarHBondContact O-N 2.94Å; T110-L114 VanDerWaalsContact O-N 3.13Å; L111-L114 CarbonylContact O-C 3.59Å; L111-L114 WeakPolarHBondContact O-CB 3.29Å; L111-L114 PolarHBondContact O-N 2.59Å; L111-L114 VanDerWaalsContact O-N 3.08Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 3.29Å; L114-A117 PolarHBondContact O-N 3.22Å; L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 2.92Å; L114-I159 HydrophobicContact CD1-CG2 3.83Å; L114-I159 HydrophobicContact CD2-CG2 4.23Å; L114-I159 HydrophobicContact CG-CG2 3.79Å; L114-V163 HydrophobicContact CD2-CG2 3.8Å; L114-V163 HydrophobicContact CG-CG2 4.23Å; L114-V424 HydrophobicContact CB-CG1 4.05Å; L114-V424 HydrophobicContact CD1-CG1 4.01Å; L114-L888 HydrophobicContact CD2-CD1 4.17Å; L114-L888 HydrophobicContact CD2-CD2 3.91Å
115	E	82.9	Confident	77.2	Confident	50 Å²	50	47.8 Å²	47.8	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-46.1	172.7	-72.4	-174.4	172.6	0	0	111.5	L106 L111 I112 A117 A118 I119 L160 V163	L106-E115 WeakPolarHBondContact CD2-OE1 3.19Å; L111-E115 PolarHBondContact O-N 2.92Å; I112-E115 PolarHBondContact O-N 3.17Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-A117 PolarHBondContact O-N 3.01Å; E115-A118 PolarHBondContact O-N 3.42Å; E115-I119 WeakPolarHBondContact O-CB 3.41Å; E115-I119 VanDerWaalsContact O-CG1 3.26Å; E115-I119 WeakPolarHBondContact O-CG1 3.37Å; E115-I119 PolarHBondContact O-N 2.86Å; E115-L160 HydrophobicContact CB-CD2 4.22Å; E115-L160 HydrophobicContact CG-CD2 4.19Å; E115-V163 HydrophobicContact CG-CG1 4.02Å
116	I	82.9	Confident	76.8	Confident	99 Å²	99	53.2 Å²	53.2	51%	0.508	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-44.9	176.1	-69	166.1	0	0	0	110.6	I112 A118 I119 V120	I112-I116 HydrophobicContact CG2-CD1 3.84Å; I112-I116 WeakPolarHBondContact O-CB 3.27Å; I112-I116 VanDerWaalsContact O-CG1 3.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 2.94Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 2.9Å; I116-I119 PolarHBondContact O-N 3.1Å; I116-V120 WeakPolarHBondContact O-CG2 3.43Å; I116-V120 PolarHBondContact O-N 3.32Å
117	A	72.5	Confident	76	Confident	6 Å²	6	57.6 Å²	57.6	5%	0.05	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-37.9	177.9	0	0	0	0	0	112.5	I113 L114 E115 V120 S121 F420 I421	I113-A117 WeakPolarHBondContact O-CB 3.18Å; I113-A117 PolarHBondContact O-N 3.39Å; L114-A117 PolarHBondContact O-N 3.22Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-A117 PolarHBondContact O-N 3.01Å; A117-V120 PolarHBondContact O-N 3.24Å; A117-S121 WeakPolarHBondContact O-CB 3.19Å; A117-S121 PolarHBondContact O-N 3.2Å; A117-F420 HydrophobicContact CB-CD1 4.34Å; A117-F420 HydrophobicContact CB-CE1 4.36Å; A117-I421 HydrophobicContact CB-CG1 3.91Å
118	A	78.7	Confident	74.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.2	-39.9	175.4	0	0	0	0	0	112.5	L114 E115 I116 S121 L122 I159 L160	L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 2.92Å; E115-A118 PolarHBondContact O-N 3.42Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 2.9Å; A118-S121 PolarHBondContact O-N 3.36Å; A118-L122 VanDerWaalsContact O-CB 3.24Å; A118-L122 WeakPolarHBondContact O-CB 3.43Å; A118-L122 PolarHBondContact O-N 3.29Å; A118-I159 HydrophobicContact CB-CB 3.94Å; A118-I159 HydrophobicContact CB-CG2 3.71Å; A118-L160 HydrophobicContact CB-CD2 4.04Å; A118-L160 HydrophobicContact CB-CG 3.85Å
119	I	84.4	Confident	73.5	Confident	99 Å²	99	59.8 Å²	59.8	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-64.5	-39.8	173.9	-69.3	163.6	0	0	0	110.9	E115 I116 G123 L160	E115-I119 WeakPolarHBondContact O-CB 3.41Å; E115-I119 VanDerWaalsContact O-CG1 3.26Å; E115-I119 WeakPolarHBondContact O-CG1 3.37Å; E115-I119 PolarHBondContact O-N 2.86Å; I116-I119 PolarHBondContact O-N 3.1Å; I119-G123 PolarHBondContact O-N 2.87Å; I119-L160 HydrophobicContact CG1-CD1 4.25Å; I119-L160 HydrophobicContact CG1-CD2 4.28Å
120	V	78.6	Confident	72.1	Confident	66 Å²	66	60.5 Å²	60.5	40%	0.4	33%	0.325	S	S	.	.	H	α-helix	trans	-67.8	-42.8	175.4	171.1	0	0	0	0	111.5	I116 A117 G123 L124 V417	I116-V120 WeakPolarHBondContact O-CG2 3.43Å; I116-V120 PolarHBondContact O-N 3.32Å; A117-V120 PolarHBondContact O-N 3.24Å; V120-G123 PolarHBondContact O-N 3.42Å; V120-L124 HydrophobicContact CG1-CD1 4.12Å; V120-L124 WeakPolarHBondContact O-CB 3.19Å; V120-L124 WeakPolarHBondContact O-CG 3.48Å; V120-L124 PolarHBondContact O-N 2.99Å; V120-V417 HydrophobicContact CG1-CG1 4.19Å; V120-V417 HydrophobicContact CG1-CG2 3.88Å
121	S	72.4	Confident	70.8	Confident	15 Å²	15	69 Å²	69	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-57.9	-49.9	173.2	171.3	0	0	0	0	111.7	A117 A118 G123 L124 S125	A117-S121 WeakPolarHBondContact O-CB 3.19Å; A117-S121 PolarHBondContact O-N 3.2Å; A118-S121 PolarHBondContact O-N 3.36Å; S121-G123 PolarHBondContact O-N 2.85Å; S121-L124 PolarHBondContact O-N 2.74Å; S121-S125 PolarHBondContact O-N 2.73Å
122	L	79.1	Confident	69.2	Low	38 Å²	38	71 Å²	71	20%	0.199	39%	0.386	C	S	.	.	H	α-helix	trans	-60.8	-45.2	177.3	-176.9	63.1	0	0	0	111.8	A118 L124 S125 F126 W153 L160	A118-L122 VanDerWaalsContact O-CB 3.24Å; A118-L122 WeakPolarHBondContact O-CB 3.43Å; A118-L122 PolarHBondContact O-N 3.29Å; L122-L124 PolarHBondContact O-N 3.05Å; L122-S125 PolarHBondContact O-N 3.48Å; L122-S125 VanDerWaalsContact O-N 3.16Å; L122-S125 PolarHBondContact O-OG 2.85Å; L122-F126 HydrophobicContact CD1-CD2 4.39Å; L122-F126 HydrophobicContact CD1-CE2 3.54Å; L122-F126 HydrophobicContact CD1-CZ 3.86Å; L122-F126 HydrophobicContact CG-CD2 4.37Å; L122-F126 HydrophobicContact CG-CE2 3.74Å; L122-F126 VanDerWaalsContact O-CD2 3.23Å; L122-F126 WeakPolarHBondContact O-CD2 3.27Å; L122-F126 PolarHBondContact O-N 3.39Å; L122-W153 HydrophobicContact CD1-CB 3.71Å; L122-L160 HydrophobicContact CD2-CD1 4.34Å
123	G	74.8	Confident	67.3	Low	46 Å²	46	75.1 Å²	75.1	47%	0.474	41%	0.409	S	S	.	.	H	α-helix	trans	-62.4	-38.2	177.1	0	0	0	0	0	113.6	I119 V120 S121	I119-G123 PolarHBondContact O-N 2.87Å; V120-G123 PolarHBondContact O-N 3.42Å; S121-G123 PolarHBondContact O-N 2.85Å
124	L	68.4	Low	66	Low	41 Å²	41	77.8 Å²	77.8	22%	0.215	42%	0.424	C	S	.	.	H	α-helix	trans	-70.8	-33.2	173.2	-71	171.9	0	0	0	112.3	V120 S121 L122 F126 Y127 I413 V417	V120-L124 HydrophobicContact CG1-CD1 4.12Å; V120-L124 WeakPolarHBondContact O-CB 3.19Å; V120-L124 WeakPolarHBondContact O-CG 3.48Å; V120-L124 PolarHBondContact O-N 2.99Å; S121-L124 PolarHBondContact O-N 2.74Å; L122-L124 PolarHBondContact O-N 3.05Å; L124-F126 PolarHBondContact O-N 2.87Å; L124-Y127 PolarHBondContact O-N 2.83Å; L124-I413 HydrophobicContact CD1-CG2 4.11Å; L124-I413 HydrophobicContact CD2-CG2 4.42Å; L124-V417 HydrophobicContact CD1-CB 4.2Å; L124-V417 HydrophobicContact CD1-CG1 4.46Å; L124-V417 HydrophobicContact CD1-CG2 3.76Å
125	S	67.7	Low	64.7	Low	26 Å²	26	82 Å²	82	18%	0.182	46%	0.459	C	S	.	.	H	α-helix	trans	-65	-22.4	177.7	77.9	0	0	0	0	113.9	S121 L122 W153	S121-S125 PolarHBondContact O-N 2.73Å; L122-S125 PolarHBondContact O-N 3.48Å; L122-S125 VanDerWaalsContact O-N 3.16Å; L122-S125 PolarHBondContact O-OG 2.85Å; S125-W153 WeakPolarHBondContact OG-CA 3.5Å
126	F	71.8	Confident	63.1	Low	139 Å²	139	86 Å²	86	61%	0.61	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	0	174.2	-63.8	-54.2	0	0	0	113.9	L122 L124 W153	L122-F126 HydrophobicContact CD1-CD2 4.39Å; L122-F126 HydrophobicContact CD1-CE2 3.54Å; L122-F126 HydrophobicContact CD1-CZ 3.86Å; L122-F126 HydrophobicContact CG-CD2 4.37Å; L122-F126 HydrophobicContact CG-CE2 3.74Å; L122-F126 VanDerWaalsContact O-CD2 3.23Å; L122-F126 WeakPolarHBondContact O-CD2 3.27Å; L122-F126 PolarHBondContact O-N 3.39Å; L124-F126 PolarHBondContact O-N 2.87Å; F126-W153 HydrophobicContact CE1-CB 3.92Å; F126-W153 HydrophobicContact CE1-CG 4.43Å; F126-W153 HydrophobicContact CZ-CB 3.83Å; F126-W153 HydrophobicContact CZ-CG 4.49Å
127	Y	66.8	Low	61.7	Low	138 Å²	138	83.5 Å²	83.5	54%	0.541	47%	0.472	S	S	.	.			trans	-95.5	96	179.2	-173.5	-93.4	0	0	0	111.2	L124 P410	L124-Y127 PolarHBondContact O-N 2.83Å; Y127-P410 HydrophobicContact CD1-CB 4.06Å; Y127-P410 HydrophobicContact CD1-CG 4.28Å; Y127-P410 HydrophobicContact CE1-CB 4.04Å; Y127-P410 HydrophobicContact CE1-CG 3.74Å
128	Q	55.3	Low	60.3	Low	158 Å²	158	84.7 Å²	84.7	74%	0.738	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-88.1	129.5	169.5	-68.4	175.9	-16.9	0	0	109.8
129	P	54.3	Low	58.4	Low	71 Å²	71	93.9 Å²	93.9	46%	0.461	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.1	149.2	169.9	30.2	-33.8	0	0	0	110.3
130	P	44.4	Very low	56.3	Low	113 Å²	113	92.9 Å²	92.9	73%	0.734	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-65.5	145.1	177.1	28.7	-34.9	0	0	0	111.3	G132	P130-G132 PolarHBondContact O-N 2.95Å
131	E	45.3	Very low	54.1	Low	202 Å²	202	94.3 Å²	94.3	94%	0.944	54%	0.539	S	S	*	.	S	Bend	trans	-58.1	114.3	-171.8	-61	175.8	144	0	0	113
132	G	41.4	Very low	52.3	Low	52 Å²	52	99.3 Å²	99.3	54%	0.536	57%	0.569	S	S	.	*	S	Bend	trans	-168.5	110.4	173.5	0	0	0	0	0	112.3	P130 N134	P130-G132 PolarHBondContact O-N 2.95Å; G132-N134 PolarHBondContact O-N 3.14Å; G132-N134 VanDerWaalsContact O-N 3.09Å
133	D	41.5	Very low	49.9	Very low	151 Å²	151	99.2 Å²	99.2	81%	0.807	58%	0.577	S	S	*	*			trans	35.9	54.2	166.9	-65.1	-0.4	0	0	0	117	A135 L136	D133-A135 PolarHBondContact O-N 2.85Å; D133-L136 PolarHBondContact O-N 2.91Å; D133-L136 VanDerWaalsContact O-N 3.1Å
134	N	48.9	Very low	47.8	Very low	121 Å²	121	107 Å²	107	65%	0.647	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-50	-20	178.1	-73.6	-25.3	0	0	0	115.1	G132 L136 C137	G132-N134 PolarHBondContact O-N 3.14Å; G132-N134 VanDerWaalsContact O-N 3.09Å; N134-L136 PolarHBondContact O-N 3.01Å; N134-L136 VanDerWaalsContact O-N 3.16Å; N134-C137 PolarHBondContact O-N 3.06Å
135	A	46.8	Very low	45.9	Very low	91 Å²	91	113 Å²	113	75%	0.752	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-56.6	-25.3	175.2	0	0	0	0	0	114	D133 G138	D133-A135 PolarHBondContact O-N 2.85Å; A135-G138 WeakPolarHBondContact O-CA 3.44Å; A135-G138 PolarHBondContact O-N 3.25Å
136	L	48.4	Very low	44.2	Very low	134 Å²	134	122.1 Å²	122.1	70%	0.702	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-83.9	-19.5	-173.2	-148.6	75.9	0	0	0	115.1	D133 N134 G138 L405	D133-L136 PolarHBondContact O-N 2.91Å; D133-L136 VanDerWaalsContact O-N 3.1Å; N134-L136 PolarHBondContact O-N 3.01Å; N134-L136 VanDerWaalsContact O-N 3.16Å; L136-G138 PolarHBondContact O-N 3.2Å; L136-L405 HydrophobicContact CD2-CD1 4.27Å
137	C	53.6	Low	42.6	Very low	47 Å²	47	117.3 Å²	117.3	32%	0.318	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-70.4	-12.1	165.9	-61.4	0	0	0	0	111.6	N134 R402 C408	N134-C137 PolarHBondContact O-N 3.06Å; C137-R402 PolarHBondContact O-NH1 2.98Å; C137-C408 VanDerWaalsContact CA-SG 3.59Å; C137-C408 HydrophobicContact CB-CB 4.14Å; C137-C408 WeakPolarHBondContact CB-SG 3.44Å; C137-C408 WeakPolarHBondContact SG-CB 3.39Å; C137-C408 CovalentContact SG-SG 2.05Å; C137-C408 PolarHBondContact SG-SG 2.89Å
138	G	43	Very low	41.4	Very low	30 Å²	30	115.5 Å²	115.5	31%	0.309	65%	0.654	S	S	.	*			trans	96.5	165.7	169.6	0	0	0	0	0	114	A135 L136 V140	A135-G138 WeakPolarHBondContact O-CA 3.44Å; A135-G138 PolarHBondContact O-N 3.25Å; L136-G138 PolarHBondContact O-N 3.2Å; G138-V140 VanDerWaalsContact C-N 3.26Å; G138-V140 PolarHBondContact O-N 2.98Å
139	E	39.5	Very low	40.9	Very low	193 Å²	193	110.8 Å²	110.8	90%	0.902	65%	0.648	S	S	*	*			trans	-65	81.2	175.1	-66.7	178	136	0	0	111.6
140	V	40.8	Very low	40.8	Very low	78 Å²	78	114.7 Å²	114.7	47%	0.473	66%	0.66	S	S	.	*	S	Bend	trans	-85.7	120.7	133.5	-176.9	0	0	0	0	104.1	G138 V142 P963	G138-V140 VanDerWaalsContact C-N 3.26Å; G138-V140 PolarHBondContact O-N 2.98Å; V140-V142 PolarHBondContact O-N 2.88Å; V140-P963 HydrophobicContact CG1-CB 3.97Å
141	S	31.8	Very low	41.4	Very low	97 Å²	97	111 Å²	111	68%	0.678	64%	0.636	S	S	*	*			trans	-65.8	94.7	-166.8	54.9	0	0	0	0	112.2	G143	S141-G143 PolarHBondContact O-N 3.22Å
142	V	34.3	Very low	42.3	Very low	120 Å²	120	102 Å²	102	73%	0.727	60%	0.596	S	S	*	*			trans	-70.4	113.1	159.4	178.6	0	0	0	0	106.2	V140	V140-V142 PolarHBondContact O-N 2.88Å
143	G	28.5	Very low	43.8	Very low	36 Å²	36	105.1 Å²	105.1	37%	0.371	59%	0.592	S	S	.	*			trans	-72.7	144.1	172.3	0	0	0	0	0	110.1	S141 E145	S141-G143 PolarHBondContact O-N 3.22Å; G143-E145 PolarHBondContact O-N 3.24Å
144	E	30.4	Very low	45.5	Very low	209 Å²	209	99.3 Å²	99.3	98%	0.977	56%	0.56	S	S	*	*	S	Bend	trans	-75.6	63.7	172	-66.9	-173.5	132	0	0	111.2
145	E	30.3	Very low	46.6	Very low	166 Å²	166	96.7 Å²	96.7	78%	0.776	54%	0.544	S	S	*	.			trans	-129.3	128	166.9	-68.9	-162.8	168.2	0	0	110.9	G143 G147	G143-E145 PolarHBondContact O-N 3.24Å; E145-G147 PolarHBondContact O-N 2.67Å
146	E	31.9	Very low	48	Very low	219 Å²	219	92.4 Å²	92.4	100%	1.023	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	34.4	-162.1	-56.8	179.9	117.2	0	0	115.4
147	G	37	Very low	49.6	Very low	37 Å²	37	87.4 Å²	87.4	38%	0.381	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-6	-172.1	0	0	0	0	0	117.5	E145 G149 E150	E145-G147 PolarHBondContact O-N 2.67Å; G147-G149 VanDerWaalsContact C-N 3.31Å; G147-G149 PolarHBondContact O-N 3.25Å; G147-E150 PolarHBondContact O-N 2.68Å
148	E	41.5	Very low	50.9	Low	100 Å²	100	85.7 Å²	85.7	47%	0.467	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-63.5	-32.3	-169.5	-62	-164.9	143.7	0	0	114	E150	E148-E150 VanDerWaalsContact C-N 3.28Å; E148-E150 PolarHBondContact O-N 3.32Å
149	G	46.1	Very low	52.7	Low	60 Å²	60	84.3 Å²	84.3	62%	0.619	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-67.2	-21.1	-179.9	0	0	0	0	0	115.1	G147 T151	G147-G149 VanDerWaalsContact C-N 3.31Å; G147-G149 PolarHBondContact O-N 3.25Å; G149-T151 PolarHBondContact O-N 3.44Å
150	E	51.2	Low	54.9	Low	152 Å²	152	77.2 Å²	77.2	71%	0.71	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-82.5	-8	-170.4	-64.1	-157.3	139.3	0	0	114.8	G147 E148 W153	G147-E150 PolarHBondContact O-N 2.68Å; E148-E150 VanDerWaalsContact C-N 3.28Å; E148-E150 PolarHBondContact O-N 3.32Å; E150-W153 PolarHBondContact O-NE1 3.18Å
151	T	58	Low	57.1	Low	37 Å²	37	79.7 Å²	79.7	23%	0.227	44%	0.439	C	S	.	.	S	Bend	trans	-115.2	-7.6	-171.7	57.2	0	0	0	0	116.9	G149 W153 I154 K1029	G149-T151 PolarHBondContact O-N 3.44Å; T151-W153 VanDerWaalsContact C-N 3.27Å; T151-W153 PolarHBondContact O-N 2.89Å; T151-I154 HydrophobicContact CG2-CD1 3.82Å; T151-I154 WeakPolarHBondContact O-CB 3.44Å; T151-I154 WeakPolarHBondContact O-CG1 3.38Å; T151-I154 PolarHBondContact O-N 2.78Å; T151-I154 VanDerWaalsContact O-N 3.14Å; T151-K1029 HydrophobicContact CG2-CD 3.94Å
152	G	62.3	Low	59.3	Low	11 Å²	11	76.1 Å²	76.1	11%	0.113	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27	-178.3	0	0	0	0	0	115.1	I154	G152-I154 VanDerWaalsContact C-N 3.27Å; G152-I154 PolarHBondContact O-N 2.71Å
153	W	74.4	Confident	61.7	Low	119 Å²	119	70.4 Å²	70.4	45%	0.451	38%	0.38	S	S	.	.	H	α-helix	trans	-72.1	-19.4	178	67.6	-89.4	0	0	0	113.6	L122 S125 F126 E150 T151 E155 A157	L122-W153 HydrophobicContact CD1-CB 3.71Å; S125-W153 WeakPolarHBondContact OG-CA 3.5Å; F126-W153 HydrophobicContact CE1-CB 3.92Å; F126-W153 HydrophobicContact CE1-CG 4.43Å; F126-W153 HydrophobicContact CZ-CB 3.83Å; F126-W153 HydrophobicContact CZ-CG 4.49Å; E150-W153 PolarHBondContact O-NE1 3.18Å; T151-W153 VanDerWaalsContact C-N 3.27Å; T151-W153 PolarHBondContact O-N 2.89Å; W153-E155 PolarHBondContact O-N 3.44Å; W153-A157 HydrophobicContact CE3-CB 3.72Å; W153-A157 HydrophobicContact CZ3-CB 3.87Å; W153-A157 WeakPolarHBondContact O-CB 3.46Å; W153-A157 PolarHBondContact O-N 3.13Å; W153-A157 VanDerWaalsContact O-N 3.08Å
154	I	76.4	Confident	64.5	Low	28 Å²	28	72.2 Å²	72.2	14%	0.144	38%	0.383	C	S	.	.	H	α-helix	trans	-66.9	-36.8	-171.4	-61.1	177.8	0	0	0	111.2	T151 G152 A158 P1030	T151-I154 HydrophobicContact CG2-CD1 3.82Å; T151-I154 WeakPolarHBondContact O-CB 3.44Å; T151-I154 WeakPolarHBondContact O-CG1 3.38Å; T151-I154 PolarHBondContact O-N 2.78Å; T151-I154 VanDerWaalsContact O-N 3.14Å; G152-I154 VanDerWaalsContact C-N 3.27Å; G152-I154 PolarHBondContact O-N 2.71Å; I154-A158 WeakPolarHBondContact O-CB 3.38Å; I154-A158 PolarHBondContact O-N 2.9Å; I154-P1030 HydrophobicContact CG2-CB 4.29Å; I154-P1030 HydrophobicContact CG2-CG 4.07Å
155	E	71.8	Confident	67	Low	67 Å²	67	65.4 Å²	65.4	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-50.7	-179.6	-173.4	171.1	-155.1	0	0	111.5	W153 A157 A158 I159	W153-E155 PolarHBondContact O-N 3.44Å; E155-A157 PolarHBondContact O-N 2.93Å; E155-A158 PolarHBondContact O-N 2.89Å; E155-I159 HydrophobicContact CG-CD1 4.34Å; E155-I159 WeakPolarHBondContact O-CG1 3.5Å; E155-I159 PolarHBondContact O-N 3.29Å
156	G	75.7	Confident	69.4	Low	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.2	-41.7	177	0	0	0	0	0	113.1	I159 L160	G156-I159 PolarHBondContact O-N 3.03Å; G156-L160 PolarHBondContact O-N 3.19Å
157	A	83.7	Confident	71.9	Confident	29 Å²	29	48 Å²	48	24%	0.24	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-38.5	177	0	0	0	0	0	112.9	W153 E155 L160 L161	W153-A157 HydrophobicContact CE3-CB 3.72Å; W153-A157 HydrophobicContact CZ3-CB 3.87Å; W153-A157 WeakPolarHBondContact O-CB 3.46Å; W153-A157 PolarHBondContact O-N 3.13Å; W153-A157 VanDerWaalsContact O-N 3.08Å; E155-A157 PolarHBondContact O-N 2.93Å; A157-L160 PolarHBondContact O-N 2.64Å; A157-L161 WeakPolarHBondContact O-CB 3.46Å; A157-L161 PolarHBondContact O-N 2.92Å
158	A	80.2	Confident	74.3	Confident	11 Å²	11	50 Å²	50	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-34.8	177.7	0	0	0	0	0	112.2	I154 E155 S162 V885	I154-A158 WeakPolarHBondContact O-CB 3.38Å; I154-A158 PolarHBondContact O-N 2.9Å; E155-A158 PolarHBondContact O-N 2.89Å; A158-S162 VanDerWaalsContact O-CB 3.24Å; A158-S162 WeakPolarHBondContact O-CB 3.17Å; A158-S162 PolarHBondContact O-N 3.46Å; A158-S162 PolarHBondContact O-OG 3.1Å; A158-V885 HydrophobicContact CB-CG2 3.69Å
159	I	80.5	Confident	76.1	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-49.6	171.7	-65.9	164.4	0	0	0	110.3	L114 A118 E155 G156 L161 S162 V163 I421 A884 V885	L114-I159 HydrophobicContact CD1-CG2 3.83Å; L114-I159 HydrophobicContact CD2-CG2 4.23Å; L114-I159 HydrophobicContact CG-CG2 3.79Å; A118-I159 HydrophobicContact CB-CB 3.94Å; A118-I159 HydrophobicContact CB-CG2 3.71Å; E155-I159 HydrophobicContact CG-CD1 4.34Å; E155-I159 WeakPolarHBondContact O-CG1 3.5Å; E155-I159 PolarHBondContact O-N 3.29Å; G156-I159 PolarHBondContact O-N 3.03Å; I159-L161 PolarHBondContact O-N 2.97Å; I159-S162 WeakPolarHBondContact O-CB 3.32Å; I159-S162 PolarHBondContact O-N 3.49Å; I159-S162 VanDerWaalsContact O-N 3.15Å; I159-V163 HydrophobicContact CG2-CG2 4.5Å; I159-V163 WeakPolarHBondContact O-CG2 3.2Å; I159-V163 PolarHBondContact O-N 2.65Å; I159-I421 HydrophobicContact CD1-CG2 4.35Å; I159-A884 HydrophobicContact CD1-CB 3.88Å; I159-A884 HydrophobicContact CG1-CB 4.02Å; I159-V885 HydrophobicContact CG1-CG2 4.2Å
160	L	85.9	Confident	77.5	Confident	45 Å²	45	46 Å²	46	24%	0.236	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-45.8	178.4	-71.8	170.1	0	0	0	112.3	E115 A118 I119 L122 G156 A157 S162 V163 V164	E115-L160 HydrophobicContact CB-CD2 4.22Å; E115-L160 HydrophobicContact CG-CD2 4.19Å; A118-L160 HydrophobicContact CB-CD2 4.04Å; A118-L160 HydrophobicContact CB-CG 3.85Å; I119-L160 HydrophobicContact CG1-CD1 4.25Å; I119-L160 HydrophobicContact CG1-CD2 4.28Å; L122-L160 HydrophobicContact CD2-CD1 4.34Å; G156-L160 PolarHBondContact O-N 3.19Å; A157-L160 PolarHBondContact O-N 2.64Å; L160-S162 VanDerWaalsContact C-N 3.29Å; L160-S162 PolarHBondContact O-N 2.76Å; L160-V163 PolarHBondContact O-N 3.48Å; L160-V164 WeakPolarHBondContact O-CG2 3.3Å; L160-V164 PolarHBondContact O-N 2.89Å; L160-V164 VanDerWaalsContact O-N 3.08Å
161	L	86.2	Confident	79.1	Confident	129 Å²	129	38.8 Å²	38.8	68%	0.675	22%	0.217	S	C	*	.	H	α-helix	trans	-62.4	-37.5	176.4	-172.8	67.8	0	0	0	112	A157 I159 C165	A157-L161 WeakPolarHBondContact O-CB 3.46Å; A157-L161 PolarHBondContact O-N 2.92Å; I159-L161 PolarHBondContact O-N 2.97Å; L161-C165 WeakPolarHBondContact O-CB 3.26Å; L161-C165 PolarHBondContact O-N 2.73Å
162	S	79.4	Confident	80.3	Confident	22 Å²	22	42.7 Å²	42.7	15%	0.154	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-42.6	177.7	-61	0	0	0	0	112.2	A158 I159 L160 C165 V166	A158-S162 VanDerWaalsContact O-CB 3.24Å; A158-S162 WeakPolarHBondContact O-CB 3.17Å; A158-S162 PolarHBondContact O-N 3.46Å; A158-S162 PolarHBondContact O-OG 3.1Å; I159-S162 WeakPolarHBondContact O-CB 3.32Å; I159-S162 PolarHBondContact O-N 3.49Å; I159-S162 VanDerWaalsContact O-N 3.15Å; L160-S162 VanDerWaalsContact C-N 3.29Å; L160-S162 PolarHBondContact O-N 2.76Å; S162-C165 WeakPolarHBondContact O-CB 3.44Å; S162-C165 PolarHBondContact O-N 3.01Å; S162-V166 WeakPolarHBondContact O-CG2 3.33Å; S162-V166 PolarHBondContact O-N 2.76Å
163	V	83.6	Confident	80.7	Confident	1 Å²	1	43 Å²	43	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-47.4	174.9	172.3	0	0	0	0	110.5	L111 L114 E115 I159 L160 C165 V166 V167 L888	L111-V163 HydrophobicContact CB-CG1 4.47Å; L111-V163 HydrophobicContact CD2-CG1 4.4Å; L114-V163 HydrophobicContact CD2-CG2 3.8Å; L114-V163 HydrophobicContact CG-CG2 4.23Å; E115-V163 HydrophobicContact CG-CG1 4.02Å; I159-V163 HydrophobicContact CG2-CG2 4.5Å; I159-V163 WeakPolarHBondContact O-CG2 3.2Å; I159-V163 PolarHBondContact O-N 2.65Å; L160-V163 PolarHBondContact O-N 3.48Å; V163-C165 VanDerWaalsContact C-N 3.28Å; V163-C165 PolarHBondContact O-N 2.84Å; V163-V166 PolarHBondContact O-N 3.13Å; V163-V167 HydrophobicContact CG1-CG2 4.26Å; V163-V167 WeakPolarHBondContact O-CB 3.4Å; V163-V167 VanDerWaalsContact O-CG2 3.29Å; V163-V167 WeakPolarHBondContact O-CG2 3.31Å; V163-V167 PolarHBondContact O-N 3.2Å; V163-L888 HydrophobicContact CG2-CD1 4.48Å
164	V	87.2	Confident	80.7	Confident	73 Å²	73	39.5 Å²	39.5	44%	0.442	22%	0.22	S	C	.	.	H	α-helix	trans	-58.1	-40.6	175	172	0	0	0	0	111.6	L160 L168	L160-V164 WeakPolarHBondContact O-CG2 3.3Å; L160-V164 PolarHBondContact O-N 2.89Å; L160-V164 VanDerWaalsContact O-N 3.08Å; V164-L168 HydrophobicContact CG1-CD1 3.99Å; V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 VanDerWaalsContact O-CG 3.27Å; V164-L168 WeakPolarHBondContact O-CG 3.3Å; V164-L168 PolarHBondContact O-N 3.19Å
165	C	84.3	Confident	81	Confident	67 Å²	67	42.1 Å²	42.1	45%	0.453	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-46.8	176.5	-169.3	0	0	0	0	112.4	L161 S162 V163 L168 V169	L161-C165 WeakPolarHBondContact O-CB 3.26Å; L161-C165 PolarHBondContact O-N 2.73Å; S162-C165 WeakPolarHBondContact O-CB 3.44Å; S162-C165 PolarHBondContact O-N 3.01Å; V163-C165 VanDerWaalsContact C-N 3.28Å; V163-C165 PolarHBondContact O-N 2.84Å; C165-L168 PolarHBondContact O-N 3.18Å; C165-V169 WeakPolarHBondContact O-CG2 3.4Å; C165-V169 PolarHBondContact O-N 3.35Å; C165-V169 VanDerWaalsContact O-N 3.09Å
166	V	79.3	Confident	81.2	Confident	16 Å²	16	40.3 Å²	40.3	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-48.8	177.2	170.4	0	0	0	0	110.6	S162 V163 L168 V169 T170 L892	S162-V166 WeakPolarHBondContact O-CG2 3.33Å; S162-V166 PolarHBondContact O-N 2.76Å; V163-V166 PolarHBondContact O-N 3.13Å; V166-L168 VanDerWaalsContact C-N 3.33Å; V166-L168 PolarHBondContact O-N 2.94Å; V166-V169 PolarHBondContact O-N 3.26Å; V166-V169 VanDerWaalsContact O-N 3.12Å; V166-T170 HydrophobicContact CG1-CG2 4.38Å; V166-T170 PolarHBondContact O-N 2.98Å; V166-T170 PolarHBondContact O-OG1 2.91Å; V166-L892 HydrophobicContact CG2-CD1 4.45Å
167	V	85.2	Confident	81	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-41.3	177.3	163.4	0	0	0	0	112.4	V102 A105 L106 L111 V163 T170 A171	V102-V167 HydrophobicContact CG1-CG1 3.95Å; A105-V167 HydrophobicContact CB-CG1 4.2Å; L106-V167 HydrophobicContact CD1-CG1 4.48Å; L106-V167 HydrophobicContact CD2-CB 4.49Å; L106-V167 HydrophobicContact CD2-CG1 4.07Å; L106-V167 HydrophobicContact CD2-CG2 3.88Å; L106-V167 HydrophobicContact CG-CG1 3.86Å; L106-V167 HydrophobicContact CG-CG2 4.36Å; L111-V167 HydrophobicContact CD1-CG2 3.91Å; V163-V167 HydrophobicContact CG1-CG2 4.26Å; V163-V167 WeakPolarHBondContact O-CB 3.4Å; V163-V167 VanDerWaalsContact O-CG2 3.29Å; V163-V167 WeakPolarHBondContact O-CG2 3.31Å; V163-V167 PolarHBondContact O-N 3.2Å; V167-T170 PolarHBondContact O-OG1 3.46Å; V167-T170 VanDerWaalsContact O-OG1 3.11Å; V167-A171 WeakPolarHBondContact O-CB 3.18Å; V167-A171 PolarHBondContact O-N 2.9Å
168	L	87.1	Confident	80.6	Confident	78 Å²	78	43 Å²	43	41%	0.408	23%	0.229	S	C	.	.	H	α-helix	trans	-67.5	-36.8	176.7	-74.9	169.9	0	0	0	112.2	F98 V102 V164 C165 V166 F172	F98-L168 HydrophobicContact CE1-CD2 4.2Å; F98-L168 HydrophobicContact CZ-CD2 4.03Å; V102-L168 HydrophobicContact CG2-CD2 4.09Å; V164-L168 HydrophobicContact CG1-CD1 3.99Å; V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 VanDerWaalsContact O-CG 3.27Å; V164-L168 WeakPolarHBondContact O-CG 3.3Å; V164-L168 PolarHBondContact O-N 3.19Å; C165-L168 PolarHBondContact O-N 3.18Å; V166-L168 VanDerWaalsContact C-N 3.33Å; V166-L168 PolarHBondContact O-N 2.94Å; L168-F172 VanDerWaalsContact O-CB 3.22Å; L168-F172 WeakPolarHBondContact O-CB 3.48Å; L168-F172 PolarHBondContact O-N 2.96Å
169	V	80.1	Confident	80.5	Confident	46 Å²	46	47.6 Å²	47.6	28%	0.279	25%	0.247	S	C	.	.	H	α-helix	trans	-72	-42.6	177.4	178.1	0	0	0	0	111.4	C165 V166 F172 N173 L892 T896	C165-V169 WeakPolarHBondContact O-CG2 3.4Å; C165-V169 PolarHBondContact O-N 3.35Å; C165-V169 VanDerWaalsContact O-N 3.09Å; V166-V169 PolarHBondContact O-N 3.26Å; V166-V169 VanDerWaalsContact O-N 3.12Å; V169-F172 PolarHBondContact O-N 2.9Å; V169-N173 WeakPolarHBondContact O-CB 3.46Å; V169-N173 PolarHBondContact O-N 2.96Å; V169-L892 HydrophobicContact CB-CD1 4.17Å; V169-L892 HydrophobicContact CG1-CD1 4.02Å; V169-T896 HydrophobicContact CG1-CG2 3.9Å
170	T	74.5	Confident	80	Confident	31 Å²	31	50.3 Å²	50.3	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-45	176.5	56.7	0	0	0	0	111.4	V166 V167 F172 N173 D174	V166-T170 HydrophobicContact CG1-CG2 4.38Å; V166-T170 PolarHBondContact O-N 2.98Å; V166-T170 PolarHBondContact O-OG1 2.91Å; V167-T170 PolarHBondContact O-OG1 3.46Å; V167-T170 VanDerWaalsContact O-OG1 3.11Å; T170-F172 VanDerWaalsContact C-N 3.33Å; T170-F172 PolarHBondContact O-N 3.2Å; T170-N173 WeakPolarHBondContact O-CB 3.5Å; T170-N173 PolarHBondContact O-N 3.03Å; T170-D174 PolarHBondContact O-N 3.08Å
171	A	84.6	Confident	79.1	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-34.6	175.1	0	0	0	0	0	113.1	F98 L101 V102 V167 W175	F98-A171 HydrophobicContact CE2-CB 4.08Å; L101-A171 HydrophobicContact CB-CB 4.25Å; V102-A171 HydrophobicContact CB-CB 4.32Å; V102-A171 HydrophobicContact CG2-CB 3.51Å; V167-A171 WeakPolarHBondContact O-CB 3.18Å; V167-A171 PolarHBondContact O-N 2.9Å; A171-W175 VanDerWaalsContact O-CB 3.28Å; A171-W175 WeakPolarHBondContact O-CB 3.4Å; A171-W175 PolarHBondContact O-N 2.71Å
172	F	83.3	Confident	78.5	Confident	118 Å²	118	51.2 Å²	51.2	52%	0.518	25%	0.253	S	S	.	.	H	α-helix	trans	-68.6	-37	174.1	178.8	-96.7	0	0	0	112.4	F98 L168 V169 T170 W175 S176	F98-F172 HydrophobicContact CE2-CB 4.21Å; L168-F172 VanDerWaalsContact O-CB 3.22Å; L168-F172 WeakPolarHBondContact O-CB 3.48Å; L168-F172 PolarHBondContact O-N 2.96Å; V169-F172 PolarHBondContact O-N 2.9Å; T170-F172 VanDerWaalsContact C-N 3.33Å; T170-F172 PolarHBondContact O-N 3.2Å; F172-W175 HydrophobicContact CD2-CE3 4.45Å; F172-W175 HydrophobicContact CE2-CE3 4.32Å; F172-W175 HydrophobicContact CE2-CZ3 4.26Å; F172-S176 VanDerWaalsContact O-CB 3.27Å; F172-S176 WeakPolarHBondContact O-CB 3.22Å; F172-S176 PolarHBondContact O-N 3.06Å; F172-S176 PolarHBondContact O-OG 3.03Å
173	N	72.3	Confident	78.2	Confident	19 Å²	19	51.9 Å²	51.9	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-48.6	174.2	-161.5	-8.2	0	0	0	110.5	V169 T170 W175 S176 K177 I441	V169-N173 WeakPolarHBondContact O-CB 3.46Å; V169-N173 PolarHBondContact O-N 2.96Å; T170-N173 WeakPolarHBondContact O-CB 3.5Å; T170-N173 PolarHBondContact O-N 3.03Å; N173-W175 PolarHBondContact O-N 2.77Å; N173-S176 CarbonylContact O-C 3.48Å; N173-S176 WeakPolarHBondContact O-CA 3.42Å; N173-S176 WeakPolarHBondContact O-CB 3.38Å; N173-S176 PolarHBondContact O-N 2.77Å; N173-S176 VanDerWaalsContact O-N 3.13Å; N173-K177 WeakPolarHBondContact O-CB 3.45Å; N173-K177 PolarHBondContact O-N 2.89Å; N173-I441 VanDerWaalsContact ND2-CD1 3.31Å; N173-I441 WeakPolarHBondContact ND2-CD1 3.39Å; N173-I441 WeakPolarHBondContact OD1-CD1 3.24Å
174	D	73.9	Confident	77.5	Confident	44 Å²	44	52.4 Å²	52.4	24%	0.235	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-33.8	178.9	-102.8	27.8	0	0	0	113.8	T170 K177 E178 L437	T170-D174 PolarHBondContact O-N 3.08Å; D174-K177 WeakPolarHBondContact O-CB 3.36Å; D174-K177 PolarHBondContact O-N 3.42Å; D174-K177 WeakPolarHBondContact OD1-CE 3.46Å; D174-K177 IonicContact OD1-NZ 2.78Å; D174-K177 PolarHBondContact OD1-NZ 3.41Å; D174-K177 IonicContact OD2-NZ 3.47Å; D174-K177 PolarHBondContact OD2-NZ 3.35Å; D174-E178 PolarHBondContact O-N 3.35Å; D174-L437 WeakPolarHBondContact OD1-CD1 3.42Å
175	W	83.3	Confident	76.7	Confident	84 Å²	84	53.4 Å²	53.4	32%	0.318	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-41.1	169	178.4	83	0	0	0	111.9	F98 L101 A171 F172 N173 K177 E178 K179	F98-W175 HydrophobicContact CD2-CB 4.1Å; F98-W175 HydrophobicContact CD2-CG 4.3Å; L101-W175 HydrophobicContact CD1-CB 3.84Å; A171-W175 VanDerWaalsContact O-CB 3.28Å; A171-W175 WeakPolarHBondContact O-CB 3.4Å; A171-W175 PolarHBondContact O-N 2.71Å; F172-W175 HydrophobicContact CD2-CE3 4.45Å; F172-W175 HydrophobicContact CE2-CE3 4.32Å; F172-W175 HydrophobicContact CE2-CZ3 4.26Å; N173-W175 PolarHBondContact O-N 2.77Å; W175-K177 VanDerWaalsContact C-N 3.27Å; W175-K177 PolarHBondContact O-N 3.45Å; W175-E178 PolarHBondContact O-N 2.88Å; W175-K179 HydrophobicContact CE3-CD 4.45Å; W175-K179 HydrophobicContact CH2-CD 3.79Å; W175-K179 HydrophobicContact CZ2-CD 4.17Å; W175-K179 HydrophobicContact CZ3-CD 3.92Å; W175-K179 WeakPolarHBondContact O-CB 3.46Å; W175-K179 PolarHBondContact O-N 3.01Å
176	S	75	Confident	76.3	Confident	28 Å²	28	52.5 Å²	52.5	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-30.6	175.7	-63.5	0	0	0	0	112.2	F172 N173 Q180	F172-S176 VanDerWaalsContact O-CB 3.27Å; F172-S176 WeakPolarHBondContact O-CB 3.22Å; F172-S176 PolarHBondContact O-N 3.06Å; F172-S176 PolarHBondContact O-OG 3.03Å; N173-S176 CarbonylContact O-C 3.48Å; N173-S176 WeakPolarHBondContact O-CA 3.42Å; N173-S176 WeakPolarHBondContact O-CB 3.38Å; N173-S176 PolarHBondContact O-N 2.77Å; N173-S176 VanDerWaalsContact O-N 3.13Å; S176-Q180 WeakPolarHBondContact O-CG 3.31Å; S176-Q180 PolarHBondContact O-N 3.17Å; S176-Q180 VanDerWaalsContact O-N 3.16Å; S176-Q180 PolarHBondContact O-NE2 3.3Å
177	K	71.9	Confident	75.9	Confident	32 Å²	32	58.5 Å²	58.5	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-53	172.9	-172.4	-176.2	82.8	-170.3	0	111.5	N173 D174 W175 K179 Q180 F181 L437 T440	N173-K177 WeakPolarHBondContact O-CB 3.45Å; N173-K177 PolarHBondContact O-N 2.89Å; D174-K177 WeakPolarHBondContact O-CB 3.36Å; D174-K177 PolarHBondContact O-N 3.42Å; D174-K177 WeakPolarHBondContact OD1-CE 3.46Å; D174-K177 IonicContact OD1-NZ 2.78Å; D174-K177 PolarHBondContact OD1-NZ 3.41Å; D174-K177 IonicContact OD2-NZ 3.47Å; D174-K177 PolarHBondContact OD2-NZ 3.35Å; W175-K177 VanDerWaalsContact C-N 3.27Å; W175-K177 PolarHBondContact O-N 3.45Å; K177-K179 VanDerWaalsContact C-N 3.3Å; K177-K179 PolarHBondContact O-N 3.18Å; K177-Q180 PolarHBondContact O-N 2.78Å; K177-Q180 VanDerWaalsContact O-N 3.12Å; K177-F181 HydrophobicContact CD-CE2 4.44Å; K177-F181 HydrophobicContact CG-CD2 4.18Å; K177-F181 HydrophobicContact CG-CE2 3.7Å; K177-F181 WeakPolarHBondContact O-CD2 3.49Å; K177-F181 PolarHBondContact O-N 2.81Å; K177-L437 HydrophobicContact CD-CD1 4.1Å; K177-T440 HydrophobicContact CD-CG2 3.66Å; K177-T440 HydrophobicContact CG-CG2 4.28Å
178	E	74.6	Confident	75.2	Confident	53 Å²	53	59.8 Å²	59.8	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-58.7	-41	174.6	-75.8	-159.6	178.9	0	0	112.1	K96 D174 W175 Q180 F181 R182	K96-E178 PolarHBondContact N-OE2 2.85Å; D174-E178 PolarHBondContact O-N 3.35Å; W175-E178 PolarHBondContact O-N 2.88Å; E178-Q180 VanDerWaalsContact C-N 3.3Å; E178-Q180 PolarHBondContact O-N 2.97Å; E178-F181 PolarHBondContact O-N 3.09Å; E178-R182 PolarHBondContact O-N 2.95Å
179	K	78.1	Confident	74.4	Confident	108 Å²	108	59.6 Å²	59.6	47%	0.47	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-35.7	176.1	-178	177.4	177.5	-179.6	0	112.7	W175 K177 G183	W175-K179 HydrophobicContact CE3-CD 4.45Å; W175-K179 HydrophobicContact CH2-CD 3.79Å; W175-K179 HydrophobicContact CZ2-CD 4.17Å; W175-K179 HydrophobicContact CZ3-CD 3.92Å; W175-K179 WeakPolarHBondContact O-CB 3.46Å; W175-K179 PolarHBondContact O-N 3.01Å; K177-K179 VanDerWaalsContact C-N 3.3Å; K177-K179 PolarHBondContact O-N 3.18Å; K179-G183 PolarHBondContact O-N 3.03Å
180	Q	69.7	Low	74.1	Confident	59 Å²	59	63.3 Å²	63.3	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-71.2	-44.9	174.5	-76.8	179.9	77.9	0	0	111.9	S176 K177 E178 R182 G183 L184	S176-Q180 WeakPolarHBondContact O-CG 3.31Å; S176-Q180 PolarHBondContact O-N 3.17Å; S176-Q180 VanDerWaalsContact O-N 3.16Å; S176-Q180 PolarHBondContact O-NE2 3.3Å; K177-Q180 PolarHBondContact O-N 2.78Å; K177-Q180 VanDerWaalsContact O-N 3.12Å; E178-Q180 VanDerWaalsContact C-N 3.3Å; E178-Q180 PolarHBondContact O-N 2.97Å; Q180-R182 PolarHBondContact O-N 3.17Å; Q180-G183 PolarHBondContact O-N 2.97Å; Q180-L184 PolarHBondContact O-N 2.73Å; Q180-L184 VanDerWaalsContact O-N 3.15Å
181	F	68.3	Low	73.9	Confident	51 Å²	51	66 Å²	66	22%	0.224	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-41.9	175.8	-71.8	-53.7	0	0	0	112.7	K177 E178 G183 L184 Q185 T440 A444 L460	K177-F181 HydrophobicContact CD-CE2 4.44Å; K177-F181 HydrophobicContact CG-CD2 4.18Å; K177-F181 HydrophobicContact CG-CE2 3.7Å; K177-F181 WeakPolarHBondContact O-CD2 3.49Å; K177-F181 PolarHBondContact O-N 2.81Å; E178-F181 PolarHBondContact O-N 3.09Å; F181-G183 VanDerWaalsContact C-N 3.29Å; F181-G183 PolarHBondContact O-N 3.26Å; F181-L184 HydrophobicContact CD1-CD1 4.27Å; F181-L184 WeakPolarHBondContact O-CB 3.45Å; F181-L184 PolarHBondContact O-N 3.19Å; F181-L184 VanDerWaalsContact O-N 3.16Å; F181-Q185 PolarHBondContact O-N 2.87Å; F181-T440 HydrophobicContact CE2-CG2 3.96Å; F181-T440 HydrophobicContact CZ-CG2 4Å; F181-A444 HydrophobicContact CE1-CB 3.94Å; F181-A444 HydrophobicContact CE2-CB 4.3Å; F181-A444 HydrophobicContact CZ-CB 3.73Å; F181-L460 HydrophobicContact CD1-CD1 4.14Å; F181-L460 HydrophobicContact CD1-CD2 4.38Å; F181-L460 HydrophobicContact CE1-CD1 3.38Å; F181-L460 HydrophobicContact CE1-CD2 3.8Å; F181-L460 HydrophobicContact CE1-CG 4.25Å; F181-L460 HydrophobicContact CZ-CD1 3.74Å
182	R	73.6	Confident	73.6	Confident	141 Å²	141	69.5 Å²	69.5	53%	0.532	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-36.8	175.6	-168.8	172.5	70.8	-131	7	112.6	E178 Q180 L184 Q185 S186	E178-R182 PolarHBondContact O-N 2.95Å; Q180-R182 PolarHBondContact O-N 3.17Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 2.81Å; R182-Q185 PolarHBondContact O-N 3.14Å; R182-S186 PolarHBondContact O-N 3Å; R182-S186 PolarHBondContact O-OG 3.22Å
183	G	72.8	Confident	73.7	Confident	36 Å²	36	69.4 Å²	69.4	37%	0.371	33%	0.325	S	S	.	.	H	α-helix	trans	-68	-28.6	176.1	0	0	0	0	0	114.1	K179 Q180 F181 S186 R187	K179-G183 PolarHBondContact O-N 3.03Å; Q180-G183 PolarHBondContact O-N 2.97Å; F181-G183 VanDerWaalsContact C-N 3.29Å; F181-G183 PolarHBondContact O-N 3.26Å; G183-S186 PolarHBondContact O-OG 3.05Å; G183-R187 WeakPolarHBondContact O-CG 3.31Å
184	L	68.2	Low	74.6	Confident	12 Å²	12	68.8 Å²	68.8	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-74.1	-47.9	171.2	-68.3	164.8	0	0	0	110.8	Q180 F181 R182 S186 R187 I188 V447 M451	Q180-L184 PolarHBondContact O-N 2.73Å; Q180-L184 VanDerWaalsContact O-N 3.15Å; F181-L184 HydrophobicContact CD1-CD1 4.27Å; F181-L184 WeakPolarHBondContact O-CB 3.45Å; F181-L184 PolarHBondContact O-N 3.19Å; F181-L184 VanDerWaalsContact O-N 3.16Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 2.81Å; L184-S186 PolarHBondContact O-N 3Å; L184-R187 WeakPolarHBondContact O-CB 3.46Å; L184-R187 PolarHBondContact O-N 2.79Å; L184-I188 PolarHBondContact O-N 3.42Å; L184-I188 VanDerWaalsContact O-N 3.1Å; L184-V447 HydrophobicContact CD1-CB 4.31Å; L184-V447 HydrophobicContact CD1-CG1 3.64Å; L184-V447 HydrophobicContact CD2-CG1 3.99Å; L184-V447 HydrophobicContact CG-CG1 4.45Å; L184-M451 HydrophobicContact CD2-SD 3.9Å
185	Q	70.1	Confident	75.3	Confident	94 Å²	94	67.7 Å²	67.7	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-55.9	-48	178	-176.1	61.5	29.4	0	0	111.8	F181 R182 R187 I188 E189	F181-Q185 PolarHBondContact O-N 2.87Å; R182-Q185 PolarHBondContact O-N 3.14Å; Q185-R187 PolarHBondContact O-N 3.13Å; Q185-R187 VanDerWaalsContact O-N 3.13Å; Q185-I188 PolarHBondContact O-N 2.96Å; Q185-I188 VanDerWaalsContact O-N 3.14Å; Q185-E189 VanDerWaalsContact CG-OE1 3.3Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.21Å; Q185-E189 PolarHBondContact NE2-OE1 3Å; Q185-E189 WeakPolarHBondContact O-CG 3.31Å; Q185-E189 PolarHBondContact O-N 3.31Å; Q185-E189 VanDerWaalsContact O-N 3.07Å
186	S	75.8	Confident	75.8	Confident	49 Å²	49	63.7 Å²	63.7	34%	0.343	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-15.1	177.4	62.4	0	0	0	0	114.4	R182 G183 L184 Q190	R182-S186 PolarHBondContact O-N 3Å; R182-S186 PolarHBondContact O-OG 3.22Å; G183-S186 PolarHBondContact O-OG 3.05Å; L184-S186 PolarHBondContact O-N 3Å; S186-Q190 VanDerWaalsContact O-CD 3.24Å; S186-Q190 WeakPolarHBondContact O-CG 3.45Å
187	R	71.4	Confident	76.5	Confident	142 Å²	142	62.5 Å²	62.5	54%	0.536	29%	0.293	S	S	.	.	H	α-helix	trans	-85.1	-40.9	172.4	-80.5	-69.9	-172.9	113.9	-6.2	111.6	G183 L184 Q185 E189 Q190 E191 M451	G183-R187 WeakPolarHBondContact O-CG 3.31Å; L184-R187 WeakPolarHBondContact O-CB 3.46Å; L184-R187 PolarHBondContact O-N 2.79Å; Q185-R187 PolarHBondContact O-N 3.13Å; Q185-R187 VanDerWaalsContact O-N 3.13Å; R187-E189 VanDerWaalsContact C-N 3.32Å; R187-E189 PolarHBondContact O-N 3.29Å; R187-Q190 PolarHBondContact O-N 2.96Å; R187-E191 PolarHBondContact O-N 3.44Å; R187-M451 HydrophobicContact CB-SD 4.17Å; R187-M451 HydrophobicContact CG-SD 4.09Å
188	I	70.7	Confident	77.4	Confident	30 Å²	30	62.3 Å²	62.3	15%	0.154	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-46.2	174.9	-62.2	165.9	0	0	0	110	L184 Q185 Q190 E191 L456	L184-I188 PolarHBondContact O-N 3.42Å; L184-I188 VanDerWaalsContact O-N 3.1Å; Q185-I188 PolarHBondContact O-N 2.96Å; Q185-I188 VanDerWaalsContact O-N 3.14Å; I188-Q190 VanDerWaalsContact C-N 3.25Å; I188-Q190 PolarHBondContact O-N 3.29Å; I188-E191 PolarHBondContact O-N 3Å; I188-L456 HydrophobicContact CG1-CD1 3.85Å; I188-L456 HydrophobicContact CG1-CD2 4.05Å; I188-L456 HydrophobicContact CG1-CG 4.08Å
189	E	70.9	Confident	77.9	Confident	73 Å²	73	62.1 Å²	62.1	34%	0.341	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-25.9	178.5	-70.2	164.8	-175.5	0	0	113.6	Q185 R187	Q185-E189 VanDerWaalsContact CG-OE1 3.3Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.21Å; Q185-E189 PolarHBondContact NE2-OE1 3Å; Q185-E189 WeakPolarHBondContact O-CG 3.31Å; Q185-E189 PolarHBondContact O-N 3.31Å; Q185-E189 VanDerWaalsContact O-N 3.07Å; R187-E189 VanDerWaalsContact C-N 3.32Å; R187-E189 PolarHBondContact O-N 3.29Å
190	Q	73.3	Confident	78.1	Confident	125 Å²	125	59 Å²	59	58%	0.584	30%	0.303	S	S	*	.	H	α-helix	trans	-83.4	-15.7	178.5	-77.8	174.4	-6.9	0	0	114	S186 R187 I188	S186-Q190 VanDerWaalsContact O-CD 3.24Å; S186-Q190 WeakPolarHBondContact O-CG 3.45Å; R187-Q190 PolarHBondContact O-N 2.96Å; I188-Q190 VanDerWaalsContact C-N 3.25Å; I188-Q190 PolarHBondContact O-N 3.29Å
191	E	71.1	Confident	78.7	Confident	86 Å²	86	62.8 Å²	62.8	40%	0.402	32%	0.32	S	S	.	.	H	α-helix	trans	-87.4	-21.3	-177.5	-161.2	161.3	167.4	0	0	112.4	R187 I188 K193 L456	R187-E191 PolarHBondContact O-N 3.44Å; I188-E191 PolarHBondContact O-N 3Å; E191-K193 PolarHBondContact O-N 3.3Å; E191-L456 WeakPolarHBondContact OE2-CD2 3.46Å
192	Q	78	Confident	79.4	Confident	76 Å²	76	64.3 Å²	64.3	36%	0.355	33%	0.333	S	S	.	.			trans	-72.1	115.7	174.9	-69.3	-176.3	-34.1	0	0	111.7	V207	Q192-V207 HydrophobicContact CB-CB 4.45Å; Q192-V207 HydrophobicContact CB-CG2 4Å; Q192-V207 PolarHBondContact O-N 3.48Å
193	K	85.6	Confident	80	Confident	116 Å²	116	60.4 Å²	60.4	50%	0.504	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.3	178.4	-63.5	178.2	-175.3	176.4	0	110.8	E191 I205	E191-K193 PolarHBondContact O-N 3.3Å; K193-I205 CarbonylContact C-O 3.53Å; K193-I205 WeakPolarHBondContact CA-O 3.22Å; K193-I205 WeakPolarHBondContact CB-O 3.45Å
194	F	89.4	Confident	80.6	Confident	5 Å²	5	64.7 Å²	64.7	2%	0.022	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156.8	174.5	-146.8	-97	0	0	0	112.6	Q204 I205 V207 I210 A216 V218 D222 L223 L224 P225	F194-Q204 WeakPolarHBondContact O-CA 3.37Å; F194-I205 PolarHBondContact N-O 2.95Å; F194-I205 PolarHBondContact O-N 3.16Å; F194-V207 HydrophobicContact CB-CG2 4.44Å; F194-I210 HydrophobicContact CB-CD1 3.74Å; F194-I210 HydrophobicContact CG-CD1 4.43Å; F194-A216 HydrophobicContact CD1-CB 4.18Å; F194-A216 HydrophobicContact CE1-CB 4Å; F194-V218 HydrophobicContact CE1-CG1 4.11Å; F194-V218 HydrophobicContact CZ-CG1 4.05Å; F194-D222 HydrophobicContact CE2-CB 3.86Å; F194-D222 HydrophobicContact CZ-CB 4.01Å; F194-L223 VanDerWaalsContact CE2-O 3.23Å; F194-L223 WeakPolarHBondContact CE2-O 3.42Å; F194-L224 HydrophobicContact CZ-CD2 4.46Å; F194-P225 HydrophobicContact CB-CG 4.12Å; F194-P225 HydrophobicContact CD1-CG 4.08Å; F194-P225 HydrophobicContact CD2-CB 4.38Å; F194-P225 HydrophobicContact CD2-CG 3.71Å; F194-P225 HydrophobicContact CE2-CG 4.18Å; F194-P225 HydrophobicContact CG-CG 3.66Å
195	T	89.8	Confident	81.6	Confident	21 Å²	21	64.9 Å²	64.9	13%	0.129	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.7	180	-51.7	0	0	0	0	110.1	V202 I203 Q217	T195-V202 HydrophobicContact CG2-CG1 3.39Å; T195-I203 WeakPolarHBondContact CA-O 3.17Å; T195-Q217 HydrophobicContact CG2-CB 4.27Å; T195-Q217 PolarHBondContact O-N 2.94Å
196	V	92.9	Very high	82.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	157.3	179.2	-57.7	0	0	0	0	111.2	R198 I203 I205 I215	V196-R198 HydrophobicContact CG2-CG 4.23Å; V196-I203 HydrophobicContact CG2-CD1 4.3Å; V196-I203 HydrophobicContact CG2-CG1 3.79Å; V196-I203 PolarHBondContact N-O 3.28Å; V196-I203 PolarHBondContact O-N 3.33Å; V196-I205 HydrophobicContact CG1-CD1 4.13Å; V196-I205 HydrophobicContact CG1-CG1 4.27Å; V196-I205 HydrophobicContact CG2-CD1 3.74Å; V196-I205 HydrophobicContact CG2-CG1 3.89Å; V196-I205 HydrophobicContact CG2-CG2 4.28Å; V196-I215 CarbonylContact C-O 3.56Å; V196-I215 WeakPolarHBondContact CA-O 3.31Å
197	I	89.9	Confident	83.3	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.6	171.1	-44.8	-176.6	0	0	0	108.1	G70 Q201 V202 I215	G70-I197 WeakPolarHBondContact CA-O 3.37Å; I197-Q201 WeakPolarHBondContact CA-O 3.38Å; I197-V202 HydrophobicContact CG1-CG2 4.41Å; I197-I215 HydrophobicContact CB-CB 4.3Å; I197-I215 HydrophobicContact CB-CG2 4.46Å; I197-I215 HydrophobicContact CD1-CG2 4.08Å; I197-I215 HydrophobicContact CG1-CG2 4.29Å; I197-I215 PolarHBondContact N-O 3.01Å
198	R	91.1	Very high	84.1	Confident	28 Å²	28	56.7 Å²	56.7	11%	0.106	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.8	170.4	-67	-172.4	179.2	160.2	-0.6	109.1	E69 L71 V196 G200 Q201 I203 D209 D214	E69-R198 CarbonylContact O-C 3.57Å; L71-R198 HydrophobicContact CB-CG 4.41Å; L71-R198 CarbonylContact O-C 3.52Å; L71-R198 WeakPolarHBondContact O-CA 3.35Å; L71-R198 WeakPolarHBondContact O-CB 3.26Å; V196-R198 HydrophobicContact CG2-CG 4.23Å; R198-G200 VanDerWaalsContact C-N 3.25Å; R198-G200 PolarHBondContact O-N 3.48Å; R198-Q201 PolarHBondContact N-O 3.15Å; R198-Q201 PolarHBondContact O-N 2.92Å; R198-I203 HydrophobicContact CB-CD1 4.08Å; R198-I203 HydrophobicContact CG-CD1 4.31Å; R198-D209 PolarHBondContact NH2-O 2.67Å; R198-D214 IonicContact CZ-OD1 2.72Å; R198-D214 IonicContact CZ-OD2 2.95Å; R198-D214 IonicContact NE-OD1 2.71Å; R198-D214 PolarHBondContact NE-OD1 3.05Å; R198-D214 IonicContact NE-OD2 2.67Å; R198-D214 VanDerWaalsContact NH2-CG 3.32Å; R198-D214 IonicContact NH2-OD1 2.7Å; R198-D214 PolarHBondContact NH2-OD1 2.91Å; R198-D214 IonicContact NH2-OD2 2.68Å; R198-D214 PolarHBondContact NH2-OD2 3.03Å
199	G	86.3	Confident	85.1	Confident	50 Å²	50	58.9 Å²	58.9	52%	0.515	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	32.6	-177.8	0	0	0	0	0	114.3	E69 L71 Q201	E69-G199 PolarHBondContact O-N 3.3Å; L71-G199 PolarHBondContact O-N 3.47Å; G199-Q201 PolarHBondContact O-N 3.34Å
200	G	80.3	Confident	86.1	Confident	43 Å²	43	55.5 Å²	55.5	44%	0.443	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-3.5	-173.9	0	0	0	0	0	114.9	E69 R198	E69-G200 PolarHBondContact O-N 3.13Å; R198-G200 VanDerWaalsContact C-N 3.25Å; R198-G200 PolarHBondContact O-N 3.48Å
201	Q	82.6	Confident	87.1	Confident	138 Å²	138	50 Å²	50	65%	0.645	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.4	-178.9	-59.1	-172.2	13	0	0	111.2	I197 R198 G199 I203	I197-Q201 WeakPolarHBondContact CA-O 3.38Å; R198-Q201 PolarHBondContact N-O 3.15Å; R198-Q201 PolarHBondContact O-N 2.92Å; G199-Q201 PolarHBondContact O-N 3.34Å; Q201-I203 HydrophobicContact CB-CG2 4.23Å; Q201-I203 PolarHBondContact O-N 3.49Å
202	V	83.6	Confident	88.2	Confident	83 Å²	83	45.9 Å²	45.9	50%	0.503	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	112	173.4	-177	0	0	0	0	108.4	T195 I197	T195-V202 HydrophobicContact CG2-CG1 3.39Å; I197-V202 HydrophobicContact CG1-CG2 4.41Å
203	I	86.3	Confident	88.9	Confident	59 Å²	59	42.3 Å²	42.3	30%	0.303	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.9	-175.9	62.6	170.7	0	0	0	111.2	T195 V196 R198 Q201 I205	T195-I203 WeakPolarHBondContact CA-O 3.17Å; V196-I203 HydrophobicContact CG2-CD1 4.3Å; V196-I203 HydrophobicContact CG2-CG1 3.79Å; V196-I203 PolarHBondContact N-O 3.28Å; V196-I203 PolarHBondContact O-N 3.33Å; R198-I203 HydrophobicContact CB-CD1 4.08Å; R198-I203 HydrophobicContact CG-CD1 4.31Å; Q201-I203 HydrophobicContact CB-CG2 4.23Å; Q201-I203 PolarHBondContact O-N 3.49Å; I203-I205 HydrophobicContact CD1-CG2 3.85Å; I203-I205 HydrophobicContact CG1-CG2 4.21Å
204	Q	85.1	Confident	89.3	Confident	125 Å²	125	36.8 Å²	36.8	58%	0.584	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.9	172	-72.6	-173	-18.2	0	0	110.5	F194	F194-Q204 WeakPolarHBondContact O-CA 3.37Å
205	I	89.9	Confident	89.5	Confident	16 Å²	16	36.5 Å²	36.5	8%	0.082	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	154.8	178.7	63.8	172.4	0	0	0	110.5	K193 F194 V196 I203 D209 I210	K193-I205 CarbonylContact C-O 3.53Å; K193-I205 WeakPolarHBondContact CA-O 3.22Å; K193-I205 WeakPolarHBondContact CB-O 3.45Å; F194-I205 PolarHBondContact N-O 2.95Å; F194-I205 PolarHBondContact O-N 3.16Å; V196-I205 HydrophobicContact CG1-CD1 4.13Å; V196-I205 HydrophobicContact CG1-CG1 4.27Å; V196-I205 HydrophobicContact CG2-CD1 3.74Å; V196-I205 HydrophobicContact CG2-CG1 3.89Å; V196-I205 HydrophobicContact CG2-CG2 4.28Å; I203-I205 HydrophobicContact CD1-CG2 3.85Å; I203-I205 HydrophobicContact CG1-CG2 4.21Å; I205-D209 HydrophobicContact CD1-CB 4.41Å; I205-I210 HydrophobicContact CD1-CG1 3.92Å; I205-I210 HydrophobicContact CG1-CG1 4.26Å
206	P	89.8	Confident	89.7	Confident	48 Å²	48	35.5 Å²	35.5	31%	0.312	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	144.7	169.1	-23.9	34.9	0	0	0	111.8	A208 D209	P206-A208 PolarHBondContact O-N 3.11Å; P206-A208 VanDerWaalsContact O-N 3.15Å; P206-D209 VanDerWaalsContact CD-OD2 3.32Å; P206-D209 WeakPolarHBondContact CD-OD2 3.46Å; P206-D209 VanDerWaalsContact CG-OD2 3.29Å; P206-D209 WeakPolarHBondContact CG-OD2 3.42Å; P206-D209 PolarHBondContact O-N 2.91Å
207	V	90.4	Very high	89.5	Confident	32 Å²	32	38.9 Å²	38.9	19%	0.194	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-56.2	-32.6	179.8	161.3	0	0	0	0	112.8	N88 Q192 F194 D209 I210 P225	N88-V207 PolarHBondContact ND2-O 3.39Å; Q192-V207 HydrophobicContact CB-CB 4.45Å; Q192-V207 HydrophobicContact CB-CG2 4Å; Q192-V207 PolarHBondContact O-N 3.48Å; F194-V207 HydrophobicContact CB-CG2 4.44Å; V207-D209 VanDerWaalsContact C-N 3.28Å; V207-D209 PolarHBondContact O-N 2.92Å; V207-I210 WeakPolarHBondContact O-CG1 3.36Å; V207-P225 HydrophobicContact CB-CB 4.45Å; V207-P225 HydrophobicContact CG1-CB 3.81Å; V207-P225 HydrophobicContact CG2-CB 3.96Å
208	A	88.8	Confident	89.5	Confident	33 Å²	33	38.8 Å²	38.8	27%	0.273	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-70.6	-16.8	179.1	0	0	0	0	0	115	N88 P206	N88-A208 WeakPolarHBondContact O-CA 3.42Å; P206-A208 PolarHBondContact O-N 3.11Å; P206-A208 VanDerWaalsContact O-N 3.15Å
209	D	90.9	Very high	89	Confident	76 Å²	76	42.5 Å²	42.5	41%	0.406	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-99.2	8.9	-176.1	-59.3	-26.7	0	0	0	112.8	R198 I205 P206 V207	R198-D209 PolarHBondContact NH2-O 2.67Å; I205-D209 HydrophobicContact CD1-CB 4.41Å; P206-D209 VanDerWaalsContact CD-OD2 3.32Å; P206-D209 WeakPolarHBondContact CD-OD2 3.46Å; P206-D209 VanDerWaalsContact CG-OD2 3.29Å; P206-D209 WeakPolarHBondContact CG-OD2 3.42Å; P206-D209 PolarHBondContact O-N 2.91Å; V207-D209 VanDerWaalsContact C-N 3.28Å; V207-D209 PolarHBondContact O-N 2.92Å
210	I	93.4	Very high	88.6	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.015	24%	0.235	C	C	.	.			trans	-78.7	135.8	174.2	-61.5	172.9	0	0	0	109.3	N88 F194 I205 V207 P225 A226 V275	N88-I210 HydrophobicContact CB-CB 4.43Å; N88-I210 WeakPolarHBondContact CB-O 3.4Å; F194-I210 HydrophobicContact CB-CD1 3.74Å; F194-I210 HydrophobicContact CG-CD1 4.43Å; I205-I210 HydrophobicContact CD1-CG1 3.92Å; I205-I210 HydrophobicContact CG1-CG1 4.26Å; V207-I210 WeakPolarHBondContact O-CG1 3.36Å; I210-P225 HydrophobicContact CD1-CB 3.75Å; I210-P225 HydrophobicContact CD1-CG 3.45Å; I210-P225 VanDerWaalsContact CD1-CG 3.45Å; I210-A226 HydrophobicContact CG2-CB 4.31Å; I210-V275 HydrophobicContact CG2-CG1 4.2Å; I210-V275 HydrophobicContact CG2-CG2 3.99Å
211	T	94.2	Very high	88	Confident	8 Å²	8	42.1 Å²	42.1	5%	0.049	22%	0.215	C	C	.	.			trans	-128.2	158.6	-175.8	64.3	0	0	0	0	112.1	L71 L78 G213 D214	L71-T211 WeakPolarHBondContact CD1-OG1 3.3Å; L78-T211 HydrophobicContact CB-CG2 4.47Å; L78-T211 HydrophobicContact CD2-CG2 4.14Å; T211-G213 PolarHBondContact O-N 2.75Å; T211-D214 WeakPolarHBondContact CA-OD2 3.42Å; T211-D214 PolarHBondContact N-OD2 3.29Å; T211-D214 WeakPolarHBondContact O-CB 3.45Å; T211-D214 PolarHBondContact O-N 3.37Å; T211-D214 PolarHBondContact OG1-OD2 3.14Å
212	V	94.4	Very high	87.9	Confident	1 Å²	1	36 Å²	36	1%	0.006	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	126.8	177.2	174	0	0	0	0	110.7	L34 L63 R81 F85 T276 V278	L34-V212 HydrophobicContact CD1-CG1 3.88Å; L63-V212 HydrophobicContact CD1-CG1 4.33Å; L63-V212 HydrophobicContact CD2-CG1 3.81Å; R81-V212 WeakPolarHBondContact CD-O 3.28Å; R81-V212 PolarHBondContact NH1-O 3.09Å; F85-V212 HydrophobicContact CB-CB 3.84Å; F85-V212 HydrophobicContact CB-CG1 4.44Å; F85-V212 HydrophobicContact CB-CG2 3.65Å; F85-V212 HydrophobicContact CD1-CB 4.48Å; F85-V212 HydrophobicContact CD1-CG1 4.18Å; F85-V212 HydrophobicContact CD2-CB 3.97Å; F85-V212 HydrophobicContact CD2-CG1 4.19Å; F85-V212 HydrophobicContact CG-CB 3.86Å; F85-V212 HydrophobicContact CG-CG1 4.02Å; F85-V212 HydrophobicContact CG-CG2 4.15Å; V212-T276 WeakPolarHBondContact CG2-O 3.5Å; V212-V278 HydrophobicContact CG2-CG1 4.16Å; V212-V278 HydrophobicContact CG2-CG2 4.05Å
213	G	91.6	Very high	88	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-1.8	-170.1	0	0	0	0	0	115.2	T65 T211 V275	T65-G213 VanDerWaalsContact CB-O 3.22Å; T65-G213 WeakPolarHBondContact CB-O 3.47Å; T65-G213 WeakPolarHBondContact CG2-O 3.37Å; T65-G213 PolarHBondContact OG1-O 3.42Å; T211-G213 PolarHBondContact O-N 2.75Å; G213-V275 PolarHBondContact N-O 3.04Å
214	D	94.3	Very high	88.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.			trans	-62.8	147.9	163.8	-85.7	-60.2	0	0	0	111.2	R198 T211 V275	R198-D214 IonicContact CZ-OD1 2.72Å; R198-D214 IonicContact CZ-OD2 2.95Å; R198-D214 IonicContact NE-OD1 2.71Å; R198-D214 PolarHBondContact NE-OD1 3.05Å; R198-D214 IonicContact NE-OD2 2.67Å; R198-D214 VanDerWaalsContact NH2-CG 3.32Å; R198-D214 IonicContact NH2-OD1 2.7Å; R198-D214 PolarHBondContact NH2-OD1 2.91Å; R198-D214 IonicContact NH2-OD2 2.68Å; R198-D214 PolarHBondContact NH2-OD2 3.03Å; T211-D214 WeakPolarHBondContact CA-OD2 3.42Å; T211-D214 PolarHBondContact N-OD2 3.29Å; T211-D214 WeakPolarHBondContact O-CB 3.45Å; T211-D214 PolarHBondContact O-N 3.37Å; T211-D214 PolarHBondContact OG1-OD2 3.14Å; D214-V275 HydrophobicContact CB-CB 4.48Å; D214-V275 HydrophobicContact CB-CG2 4.15Å; D214-V275 PolarHBondContact O-N 3.06Å
215	I	94.3	Very high	88.4	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	103.1	172.7	-55.4	-64.5	0	0	0	107.7	T65 S66 V196 I197 I231 M273 V274	T65-I215 HydrophobicContact CG2-CD1 4.29Å; S66-I215 WeakPolarHBondContact O-CG1 3.44Å; V196-I215 CarbonylContact C-O 3.56Å; V196-I215 WeakPolarHBondContact CA-O 3.31Å; I197-I215 HydrophobicContact CB-CB 4.3Å; I197-I215 HydrophobicContact CB-CG2 4.46Å; I197-I215 HydrophobicContact CD1-CG2 4.08Å; I197-I215 HydrophobicContact CG1-CG2 4.29Å; I197-I215 PolarHBondContact N-O 3.01Å; I215-I231 HydrophobicContact CD1-CD1 3.6Å; I215-I231 HydrophobicContact CG2-CD1 4.3Å; I215-M273 CarbonylContact C-O 3.56Å; I215-M273 WeakPolarHBondContact CA-O 3.41Å; I215-V274 HydrophobicContact CD1-CB 4.02Å; I215-V274 HydrophobicContact CD1-CG2 4.24Å
216	A	93.2	Very high	88.6	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.3	178.8	0	0	0	0	0	110.1	F194 R272 M273 V275	F194-A216 HydrophobicContact CD1-CB 4.18Å; F194-A216 HydrophobicContact CE1-CB 4Å; A216-R272 WeakPolarHBondContact O-CA 3.39Å; A216-M273 HydrophobicContact CB-CE 3.73Å; A216-M273 HydrophobicContact CB-CG 3.87Å; A216-M273 PolarHBondContact N-O 3.31Å; A216-M273 PolarHBondContact O-N 2.94Å; A216-V275 HydrophobicContact CB-CG2 4.2Å
217	Q	89.7	Confident	88.8	Confident	71 Å²	71	22.5 Å²	22.5	33%	0.332	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	114.5	174.1	-175.6	175.5	3.9	0	0	108.8	T195	T195-Q217 HydrophobicContact CG2-CB 4.27Å; T195-Q217 PolarHBondContact O-N 2.94Å
218	V	88.8	Confident	88.9	Confident	1 Å²	1	21 Å²	21	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.2	-173.8	-53.9	0	0	0	0	110.7	F194 L224 L236 L260 V266 S270 G271 M273	F194-V218 HydrophobicContact CE1-CG1 4.11Å; F194-V218 HydrophobicContact CZ-CG1 4.05Å; V218-L224 HydrophobicContact CB-CD2 4.23Å; V218-L224 HydrophobicContact CG1-CD2 3.59Å; V218-L236 HydrophobicContact CG2-CD1 4.27Å; V218-L236 HydrophobicContact CG2-CD2 4.36Å; V218-L260 HydrophobicContact CG1-CD2 4.33Å; V218-L260 HydrophobicContact CG2-CD2 4.14Å; V218-V266 HydrophobicContact CB-CG2 4.42Å; V218-S270 CarbonylContact O-C 3.56Å; V218-S270 WeakPolarHBondContact O-CA 3.28Å; V218-S270 WeakPolarHBondContact O-CB 3.47Å; V218-G271 PolarHBondContact N-O 3.39Å; V218-G271 PolarHBondContact O-N 2.64Å; V218-M273 HydrophobicContact CG1-CE 4.24Å; V218-M273 HydrophobicContact CG1-CG 4.21Å; V218-M273 HydrophobicContact CG1-SD 4.23Å
219	K	81.4	Confident	89.1	Confident	106 Å²	106	19.4 Å²	19.4	46%	0.461	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.4	178.6	52.2	164.2	-169.4	-178.5	0	110.1	G221 D222 V266	K219-G221 PolarHBondContact O-N 2.74Å; K219-D222 WeakPolarHBondContact CE-OD1 3.42Å; K219-D222 WeakPolarHBondContact CG-OD2 3.46Å; K219-D222 PolarHBondContact N-OD2 2.92Å; K219-D222 IonicContact NZ-OD1 3.19Å; K219-D222 WeakPolarHBondContact O-CB 3.41Å; K219-D222 PolarHBondContact O-N 2.73Å; K219-V266 WeakPolarHBondContact O-CB 3.22Å; K219-V266 WeakPolarHBondContact O-CG1 3.2Å
220	Y	76.6	Confident	89.1	Confident	83 Å²	83	15.8 Å²	15.8	33%	0.325	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-40.7	126.8	166.6	171.1	-114.9	0	0	0	113.3	M267 G269 T799	Y220-M267 VanDerWaalsContact CD2-C 3.49Å; Y220-M267 WeakPolarHBondContact CD2-O 3.48Å; Y220-M267 WeakPolarHBondContact CE2-O 3.44Å; Y220-G269 PolarHBondContact N-O 2.73Å; Y220-T799 HydrophobicContact CD2-CG2 4.35Å; Y220-T799 HydrophobicContact CE2-CG2 3.59Å; Y220-T799 VanDerWaalsContact CE2-OG1 3.28Å; Y220-T799 WeakPolarHBondContact CE2-OG1 3.49Å; Y220-T799 PolarHBondContact OH-N 2.97Å; Y220-T799 PolarHBondContact OH-OG1 3.48Å
221	G	68.6	Low	88.9	Confident	2 Å²	2	16.2 Å²	16.2	2%	0.021	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-5.1	176.8	0	0	0	0	0	116.2	K219 V266 T819 D820	K219-G221 PolarHBondContact O-N 2.74Å; G221-V266 PolarHBondContact N-O 2.79Å; G221-T819 WeakPolarHBondContact O-CB 3.23Å; G221-D820 PolarHBondContact O-N 2.92Å
222	D	80.4	Confident	88.5	Confident	8 Å²	8	20.8 Å²	20.8	4%	0.043	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-75.8	141.6	175.5	-71	-15.4	0	0	0	112.1	F194 K219 V266	F194-D222 HydrophobicContact CE2-CB 3.86Å; F194-D222 HydrophobicContact CZ-CB 4.01Å; K219-D222 WeakPolarHBondContact CE-OD1 3.42Å; K219-D222 WeakPolarHBondContact CG-OD2 3.46Å; K219-D222 PolarHBondContact N-OD2 2.92Å; K219-D222 IonicContact NZ-OD1 3.19Å; K219-D222 WeakPolarHBondContact O-CB 3.41Å; K219-D222 PolarHBondContact O-N 2.73Å; D222-V266 HydrophobicContact CB-CG2 4.34Å; D222-V266 PolarHBondContact O-N 2.87Å
223	L	85.3	Confident	87.8	Confident	28 Å²	28	22.1 Å²	22.1	15%	0.147	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-87	127.7	159.7	164.5	65.2	0	0	0	108.8	F194 P225 D820	F194-L223 VanDerWaalsContact CE2-O 3.23Å; F194-L223 WeakPolarHBondContact CE2-O 3.42Å; L223-P225 WeakPolarHBondContact O-CD 3.47Å; L223-D820 HydrophobicContact CB-CB 3.93Å
224	L	90.6	Very high	87.3	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-73.4	120.1	179.1	-66.3	-176.8	0	0	0	111.4	F194 V218 I238 L260 L261 S262 G263 T264 V266 M273	F194-L224 HydrophobicContact CZ-CD2 4.46Å; V218-L224 HydrophobicContact CB-CD2 4.23Å; V218-L224 HydrophobicContact CG1-CD2 3.59Å; L224-I238 HydrophobicContact CD1-CD1 3.91Å; L224-L260 HydrophobicContact CD1-CB 3.87Å; L224-L260 HydrophobicContact CD1-CD2 3.96Å; L224-L260 HydrophobicContact CD1-CG 4.1Å; L224-L260 HydrophobicContact CD2-CD2 4.33Å; L224-L261 WeakPolarHBondContact CB-O 3.44Å; L224-S262 WeakPolarHBondContact O-CA 3.27Å; L224-G263 PolarHBondContact O-N 2.83Å; L224-T264 PolarHBondContact N-O 2.91Å; L224-V266 HydrophobicContact CD2-CG2 4.06Å; L224-V266 HydrophobicContact CG-CG2 4.33Å; L224-M273 HydrophobicContact CD2-CE 4.18Å
225	P	90	Very high	86.3	Confident	18 Å²	18	33.6 Å²	33.6	12%	0.117	17%	0.171	C	C	.	.			trans	-90.1	-10.3	-169.4	37	-39.3	0	0	0	114.1	N88 F194 V207 I210 L223	N88-P225 PolarHBondContact ND2-O 3.1Å; N88-P225 PolarHBondContact OD1-O 3.2Å; F194-P225 HydrophobicContact CB-CG 4.12Å; F194-P225 HydrophobicContact CD1-CG 4.08Å; F194-P225 HydrophobicContact CD2-CB 4.38Å; F194-P225 HydrophobicContact CD2-CG 3.71Å; F194-P225 HydrophobicContact CE2-CG 4.18Å; F194-P225 HydrophobicContact CG-CG 3.66Å; V207-P225 HydrophobicContact CB-CB 4.45Å; V207-P225 HydrophobicContact CG1-CB 3.81Å; V207-P225 HydrophobicContact CG2-CB 3.96Å; I210-P225 HydrophobicContact CD1-CB 3.75Å; I210-P225 HydrophobicContact CD1-CG 3.45Å; I210-P225 VanDerWaalsContact CD1-CG 3.45Å; L223-P225 WeakPolarHBondContact O-CD 3.47Å
226	A	93.4	Very high	85.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-158.1	159.4	-173.4	0	0	0	0	0	108.6	I210 V275 V278	I210-A226 HydrophobicContact CG2-CB 4.31Å; A226-V275 HydrophobicContact CB-CG1 3.73Å; A226-V275 HydrophobicContact CB-CG2 4.45Å; A226-V278 HydrophobicContact CB-CG1 4.01Å
227	D	93.8	Very high	84.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	147.5	173.9	-70	-1.5	0	0	0	109.9	M38 L260 S262 V275 T276 A277 S282 Q283	M38-D227 HydrophobicContact CE-CB 3.96Å; M38-D227 HydrophobicContact CG-CB 3.99Å; M38-D227 HydrophobicContact SD-CB 4.31Å; D227-L260 WeakPolarHBondContact CA-O 3.44Å; D227-S262 VanDerWaalsContact OD1-CB 3.25Å; D227-S262 WeakPolarHBondContact OD1-CB 3.04Å; D227-S262 PolarHBondContact OD1-N 3.49Å; D227-S262 PolarHBondContact OD1-OG 3.24Å; D227-V275 WeakPolarHBondContact O-CA 3.4Å; D227-T276 PolarHBondContact O-N 3.29Å; D227-T276 PolarHBondContact O-OG1 3.4Å; D227-A277 HydrophobicContact CB-CB 4.08Å; D227-A277 PolarHBondContact N-O 3.09Å; D227-A277 PolarHBondContact O-N 2.82Å; D227-S282 VanDerWaalsContact OD2-CA 3.24Å; D227-S282 WeakPolarHBondContact OD2-CA 3.35Å; D227-S282 WeakPolarHBondContact OD2-CB 3.34Å; D227-Q283 PolarHBondContact OD2-N 3.07Å
228	G	93.4	Very high	84.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	176.9	-178.3	0	0	0	0	0	115.7	L260 V274 T276	G228-L260 PolarHBondContact N-O 3.42Å; G228-L260 PolarHBondContact O-N 3.49Å; G228-V274 CarbonylContact C-O 3.57Å; G228-V274 WeakPolarHBondContact CA-O 3.34Å; G228-T276 WeakPolarHBondContact CA-OG1 3.3Å; G228-T276 PolarHBondContact N-OG1 2.96Å
229	I	92.8	Very high	83.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.3	-179.3	-58.5	171.7	0	0	0	110	L37 I49 V56 I59 I231 P258 L259 M273 V274 T276	L37-I229 HydrophobicContact CD2-CD1 3.67Å; L37-I229 HydrophobicContact CG-CD1 4.47Å; I49-I229 HydrophobicContact CD1-CD1 4.22Å; I49-I229 HydrophobicContact CD1-CG2 4.25Å; V56-I229 HydrophobicContact CG1-CG2 3.92Å; V56-I229 HydrophobicContact CG2-CG2 3.86Å; I59-I229 HydrophobicContact CD1-CD1 3.6Å; I229-I231 PolarHBondContact O-N 2.85Å; I229-P258 CarbonylContact C-O 3.53Å; I229-P258 WeakPolarHBondContact CA-O 3.02Å; I229-P258 HydrophobicContact CG2-CB 4.12Å; I229-P258 HydrophobicContact CG2-CG 4.44Å; I229-L259 HydrophobicContact CG1-CD2 4.02Å; I229-M273 CarbonylContact O-C 3.59Å; I229-M273 WeakPolarHBondContact O-CA 3.43Å; I229-M273 WeakPolarHBondContact O-CB 3.27Å; I229-V274 HydrophobicContact CB-CG1 4.12Å; I229-V274 PolarHBondContact N-O 3.29Å; I229-V274 PolarHBondContact O-N 2.75Å; I229-T276 HydrophobicContact CD1-CG2 3.75Å; I229-T276 HydrophobicContact CG1-CG2 3.81Å
230	L	92	Very high	83.5	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	124.5	179.8	-167	68.9	0	0	0	111.9	Q232 L236 K252 L254 P258 L260	L230-Q232 VanDerWaalsContact CD1-O 3.24Å; L230-Q232 WeakPolarHBondContact CD1-O 3.34Å; L230-L236 HydrophobicContact CD1-CD2 3.72Å; L230-K252 HydrophobicContact CD2-CB 4.46Å; L230-L254 HydrophobicContact CD2-CD1 4.29Å; L230-P258 HydrophobicContact CB-CB 4.14Å; L230-P258 WeakPolarHBondContact CB-O 3.24Å; L230-P258 PolarHBondContact N-O 3.38Å; L230-L260 HydrophobicContact CB-CD1 3.8Å; L230-L260 HydrophobicContact CD1-CD1 4.13Å; L230-L260 HydrophobicContact CG-CD1 4.49Å
231	I	88.6	Confident	83	Confident	12 Å²	12	27 Å²	27	6%	0.062	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-35.2	174.5	-48.8	170.2	0	0	0	110.2	V56 P67 I215 I229 R272 V274	V56-I231 HydrophobicContact CG1-CG1 4.09Å; P67-I231 HydrophobicContact CB-CG2 4.34Å; I215-I231 HydrophobicContact CD1-CD1 3.6Å; I215-I231 HydrophobicContact CG2-CD1 4.3Å; I229-I231 PolarHBondContact O-N 2.85Å; I231-R272 PolarHBondContact N-O 2.84Å; I231-V274 HydrophobicContact CD1-CB 4.07Å; I231-V274 HydrophobicContact CG1-CB 4.49Å; I231-V274 HydrophobicContact CG1-CG1 4.47Å
232	Q	84.9	Confident	82.6	Confident	103 Å²	103	30.6 Å²	30.6	48%	0.481	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	138.6	-178.2	-172.8	-179	27.7	0	0	108.7	L230 G271 R272	L230-Q232 VanDerWaalsContact CD1-O 3.24Å; L230-Q232 WeakPolarHBondContact CD1-O 3.34Å; Q232-G271 CarbonylContact O-C 3.54Å; Q232-G271 WeakPolarHBondContact O-CA 3.49Å; Q232-R272 HydrophobicContact CB-CB 4.48Å; Q232-R272 PolarHBondContact N-O 3.43Å; Q232-R272 PolarHBondContact O-N 2.93Å
233	G	81	Confident	82	Confident	29 Å²	29	32.3 Å²	32.3	30%	0.299	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	145.9	175.6	0	0	0	0	0	112.9	S270	G233-S270 CarbonylContact C-O 3.54Å; G233-S270 WeakPolarHBondContact CA-O 3.38Å
234	N	79.4	Confident	81.1	Confident	111 Å²	111	34.2 Å²	34.2	59%	0.594	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120	110.7	172.4	-76.6	-22.1	0	0	0	108.3	L236 G269 S270	N234-L236 PolarHBondContact O-N 3.32Å; N234-L236 VanDerWaalsContact O-N 3.07Å; N234-G269 WeakPolarHBondContact O-CA 3.45Å; N234-S270 PolarHBondContact N-O 3.48Å; N234-S270 PolarHBondContact O-N 2.92Å; N234-S270 VanDerWaalsContact O-N 3.17Å
235	D	74.4	Confident	79.1	Confident	130 Å²	130	36.9 Å²	36.9	70%	0.695	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	42.4	42.2	-179.9	-73	-52.4	0	0	0	114.6	K237 G269	D235-K237 PolarHBondContact O-N 2.91Å; D235-G269 WeakPolarHBondContact O-CA 3.31Å
236	L	77.5	Confident	77.4	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.3	-177	-169.9	69.3	0	0	0	110.7	V218 L230 N234 K252 L260 V266	V218-L236 HydrophobicContact CG2-CD1 4.27Å; V218-L236 HydrophobicContact CG2-CD2 4.36Å; L230-L236 HydrophobicContact CD1-CD2 3.72Å; N234-L236 PolarHBondContact O-N 3.32Å; N234-L236 VanDerWaalsContact O-N 3.07Å; L236-K252 HydrophobicContact CD2-CB 4.17Å; L236-K252 HydrophobicContact CG-CB 4.49Å; L236-K252 PolarHBondContact O-N 3.07Å; L236-L260 HydrophobicContact CD2-CD2 4.24Å; L236-V266 HydrophobicContact CD1-CG1 3.52Å
237	K	78.2	Confident	75.2	Confident	42 Å²	42	47 Å²	47	18%	0.183	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.2	164	-51	-164.7	-174.8	86.2	0	112.1	D235 H249 V250 K251 M267 E268	D235-K237 PolarHBondContact O-N 2.91Å; K237-H249 HydrophobicContact CB-CB 4.1Å; K237-H249 HydrophobicContact CD-CB 3.63Å; K237-V250 CarbonylContact C-O 3.59Å; K237-V250 VanDerWaalsContact CA-O 3.3Å; K237-V250 WeakPolarHBondContact CA-O 3.47Å; K237-K251 HydrophobicContact CD-CG 3.88Å; K237-K251 VanDerWaalsContact CE-CE 3.49Å; K237-K251 HydrophobicContact CG-CG 3.8Å; K237-M267 PolarHBondContact O-N 3.4Å; K237-E268 HydrophobicContact CB-CG 3.59Å; K237-E268 HydrophobicContact CD-CG 4Å; K237-E268 WeakPolarHBondContact CD-OE2 3.39Å; K237-E268 HydrophobicContact CG-CG 3.58Å; K237-E268 PolarHBondContact N-O 2.95Å; K237-E268 IonicContact NZ-OE1 2.77Å; K237-E268 PolarHBondContact NZ-OE1 2.82Å; K237-E268 IonicContact NZ-OE2 3.79Å; K237-E268 PolarHBondContact NZ-OE2 3.33Å; K237-E268 PolarHBondContact O-N 2.9Å
238	I	80.9	Confident	73.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143	-177	-59.6	-175.3	0	0	0	109.8	L224 E240 V250 K252 L260 T264 H265	L224-I238 HydrophobicContact CD1-CD1 3.91Å; I238-E240 HydrophobicContact CG2-CG 3.94Å; I238-V250 PolarHBondContact N-O 3.27Å; I238-V250 VanDerWaalsContact O-CA 3.26Å; I238-V250 WeakPolarHBondContact O-CA 3.35Å; I238-V250 PolarHBondContact O-N 3.27Å; I238-K252 HydrophobicContact CD1-CG 3.82Å; I238-K252 HydrophobicContact CG1-CG 4.11Å; I238-L260 HydrophobicContact CD1-CD2 4.11Å; I238-L260 HydrophobicContact CD1-CG 3.75Å; I238-T264 WeakPolarHBondContact CG2-OG1 3.33Å; I238-H265 CarbonylContact C-O 3.55Å; I238-H265 VanDerWaalsContact CA-O 3.26Å; I238-H265 WeakPolarHBondContact CA-O 3.29Å; I238-H265 WeakPolarHBondContact CG2-O 3.36Å
239	D	74.6	Confident	72.3	Confident	28 Å²	28	57.3 Å²	57.3	15%	0.15	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	113.4	165.3	170.6	12.6	0	0	0	108.8	S241 T264 H265 M267	D239-S241 WeakPolarHBondContact OD1-CB 3.32Å; D239-S241 PolarHBondContact OD1-N 3.37Å; D239-S241 PolarHBondContact OD1-OG 3.46Å; D239-S241 PolarHBondContact OD2-OG 3.11Å; D239-T264 VanDerWaalsContact O-CB 3.28Å; D239-T264 WeakPolarHBondContact O-CB 3.32Å; D239-H265 PolarHBondContact N-O 3.09Å; D239-H265 PolarHBondContact O-N 3.32Å; D239-M267 HydrophobicContact CB-CG 3.51Å; D239-M267 HydrophobicContact CB-SD 4.15Å
240	E	77.8	Confident	71.7	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.056	35%	0.351	C	S	.	.			trans	-101.2	9.5	179.8	-56.3	-161	154.5	0	0	113.2	I238 S242 L243 T244 K252 T264	I238-E240 HydrophobicContact CG2-CG 3.94Å; E240-S242 PolarHBondContact O-N 3.27Å; E240-S242 VanDerWaalsContact O-N 3.1Å; E240-L243 WeakPolarHBondContact O-CA 3.33Å; E240-L243 PolarHBondContact O-N 3.32Å; E240-T244 HydrophobicContact CB-CG2 4.17Å; E240-T244 PolarHBondContact O-N 3.42Å; E240-T244 PolarHBondContact O-OG1 2.91Å; E240-K252 WeakPolarHBondContact OE1-CE 3.47Å; E240-K252 IonicContact OE1-NZ 3.46Å; E240-K252 PolarHBondContact OE1-NZ 2.67Å; E240-K252 IonicContact OE2-NZ 2.92Å; E240-T264 HydrophobicContact CB-CG2 4.21Å; E240-T264 HydrophobicContact CG-CG2 4.13Å
241	S	64.4	Low	71.2	Confident	37 Å²	37	66.7 Å²	66.7	26%	0.259	38%	0.379	S	S	.	.	H	α-helix	trans	-57	-29.9	-174.5	61.2	0	0	0	0	114.1	D239 L243 G245 E246	D239-S241 WeakPolarHBondContact OD1-CB 3.32Å; D239-S241 PolarHBondContact OD1-N 3.37Å; D239-S241 PolarHBondContact OD1-OG 3.46Å; D239-S241 PolarHBondContact OD2-OG 3.11Å; S241-L243 PolarHBondContact O-N 2.77Å; S241-L243 VanDerWaalsContact O-N 3.16Å; S241-G245 VanDerWaalsContact O-CA 3.32Å; S241-G245 WeakPolarHBondContact O-CA 3.49Å; S241-G245 PolarHBondContact O-N 2.95Å; S241-E246 VanDerWaalsContact CA-O 3.26Å; S241-E246 WeakPolarHBondContact CA-O 3.49Å; S241-E246 VanDerWaalsContact CB-O 3.27Å; S241-E246 WeakPolarHBondContact CB-O 3.32Å; S241-E246 PolarHBondContact N-O 2.97Å
242	S	61.3	Low	71	Confident	78 Å²	78	66.7 Å²	66.7	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-56.8	-22.3	170.8	-61.1	0	0	0	0	114.5	E240 G263	E240-S242 PolarHBondContact O-N 3.27Å; E240-S242 VanDerWaalsContact O-N 3.1Å; S242-G263 WeakPolarHBondContact CB-O 3.45Å; S242-G263 PolarHBondContact OG-O 3.12Å
243	L	67.9	Low	71	Confident	44 Å²	44	63.5 Å²	63.5	23%	0.23	37%	0.368	C	S	.	.	H	α-helix	trans	-118.5	-40.9	-176.1	-71.3	179.4	0	0	0	113.5	E240 S241 L261 T264 I287	E240-L243 WeakPolarHBondContact O-CA 3.33Å; E240-L243 PolarHBondContact O-N 3.32Å; S241-L243 PolarHBondContact O-N 2.77Å; S241-L243 VanDerWaalsContact O-N 3.16Å; L243-L261 HydrophobicContact CD1-CB 3.72Å; L243-L261 HydrophobicContact CD1-CD1 3.78Å; L243-L261 HydrophobicContact CD1-CG 4.37Å; L243-T264 HydrophobicContact CD1-CG2 3.71Å; L243-T264 HydrophobicContact CG-CG2 4.24Å; L243-I287 HydrophobicContact CD2-CD1 3.6Å
244	T	66	Low	71	Confident	68 Å²	68	65.7 Å²	65.7	42%	0.417	37%	0.372	S	S	.	.	H	α-helix	trans	-93.6	-25.7	-177.9	60.6	0	0	0	0	113.1	E240 E246	E240-T244 HydrophobicContact CB-CG2 4.17Å; E240-T244 PolarHBondContact O-N 3.42Å; E240-T244 PolarHBondContact O-OG1 2.91Å; T244-E246 PolarHBondContact O-N 2.94Å; T244-E246 PolarHBondContact OG1-N 3.42Å
245	G	47.9	Very low	71	Confident	59 Å²	59	66.8 Å²	66.8	61%	0.608	38%	0.378	S	S	*	.	S	Bend	trans	77.5	-6.4	-165.2	0	0	0	0	0	114.4	S241	S241-G245 VanDerWaalsContact O-CA 3.32Å; S241-G245 WeakPolarHBondContact O-CA 3.49Å; S241-G245 PolarHBondContact O-N 2.95Å
246	E	55	Low	71.3	Confident	134 Å²	134	68 Å²	68	63%	0.626	38%	0.377	S	S	*	.			trans	-87.2	128	178.2	-60.9	-179.4	159.2	0	0	109.7	S241 T244	S241-E246 VanDerWaalsContact CA-O 3.26Å; S241-E246 WeakPolarHBondContact CA-O 3.49Å; S241-E246 VanDerWaalsContact CB-O 3.27Å; S241-E246 WeakPolarHBondContact CB-O 3.32Å; S241-E246 PolarHBondContact N-O 2.97Å; T244-E246 PolarHBondContact O-N 2.94Å; T244-E246 PolarHBondContact OG1-N 3.42Å
247	S	47.4	Very low	71.6	Confident	95 Å²	95	68.5 Å²	68.5	66%	0.664	38%	0.38	S	S	*	.			trans	-92.5	9.2	-174	-48.7	0	0	0	0	114.5
248	D	55.8	Low	72.2	Confident	136 Å²	136	66.5 Å²	66.5	73%	0.727	37%	0.371	S	S	*	.	S	Bend	trans	-87.5	147.7	-177.9	-79.9	-43.5	0	0	0	112.4	V250	D248-V250 PolarHBondContact O-N 2.99Å; D248-V250 VanDerWaalsContact O-N 3.1Å
249	H	71.2	Confident	72.6	Confident	82 Å²	82	66.6 Å²	66.6	38%	0.38	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	100.6	-172.1	-72.1	-170.8	0	0	0	113.5	K237 K251	K237-H249 HydrophobicContact CB-CB 4.1Å; K237-H249 HydrophobicContact CD-CB 3.63Å; H249-K251 PolarHBondContact O-N 3.44Å
250	V	79.6	Confident	73.5	Confident	61 Å²	61	65.2 Å²	65.2	37%	0.37	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-38	77.5	163	-85.3	0	0	0	0	116.5	K237 I238 D248 K252	K237-V250 CarbonylContact C-O 3.59Å; K237-V250 VanDerWaalsContact CA-O 3.3Å; K237-V250 WeakPolarHBondContact CA-O 3.47Å; I238-V250 PolarHBondContact N-O 3.27Å; I238-V250 VanDerWaalsContact O-CA 3.26Å; I238-V250 WeakPolarHBondContact O-CA 3.35Å; I238-V250 PolarHBondContact O-N 3.27Å; D248-V250 PolarHBondContact O-N 2.99Å; D248-V250 VanDerWaalsContact O-N 3.1Å; V250-K252 PolarHBondContact O-N 3.4Å
251	K	80.9	Confident	74.1	Confident	136 Å²	136	64.7 Å²	64.7	59%	0.591	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	118.4	167.9	-88.3	-166.8	172.6	-161.5	0	111.1	K237 H249	K237-K251 HydrophobicContact CD-CG 3.88Å; K237-K251 VanDerWaalsContact CE-CE 3.49Å; K237-K251 HydrophobicContact CG-CG 3.8Å; H249-K251 PolarHBondContact O-N 3.44Å
252	K	85.3	Confident	75.3	Confident	12 Å²	12	63.2 Å²	63.2	5%	0.052	35%	0.351	C	S	.	.			trans	-107.1	135.6	176.4	-58.6	-63	178.8	160.2	0	111.3	L230 L236 I238 E240 V250 D257 L259	L230-K252 HydrophobicContact CD2-CB 4.46Å; L236-K252 HydrophobicContact CD2-CB 4.17Å; L236-K252 HydrophobicContact CG-CB 4.49Å; L236-K252 PolarHBondContact O-N 3.07Å; I238-K252 HydrophobicContact CD1-CG 3.82Å; I238-K252 HydrophobicContact CG1-CG 4.11Å; E240-K252 WeakPolarHBondContact OE1-CE 3.47Å; E240-K252 IonicContact OE1-NZ 3.46Å; E240-K252 PolarHBondContact OE1-NZ 2.67Å; E240-K252 IonicContact OE2-NZ 2.92Å; V250-K252 PolarHBondContact O-N 3.4Å; K252-D257 WeakPolarHBondContact CA-O 3.41Å; K252-D257 HydrophobicContact CD-CB 4.17Å; K252-D257 WeakPolarHBondContact CD-O 3.15Å; K252-D257 IonicContact NZ-OD1 3.08Å; K252-D257 IonicContact NZ-OD2 3.1Å; K252-D257 PolarHBondContact NZ-OD2 3.31Å; K252-L259 WeakPolarHBondContact CD-O 3.15Å; K252-L259 VanDerWaalsContact CE-O 3.26Å; K252-L259 WeakPolarHBondContact CE-O 3.5Å; K252-L259 PolarHBondContact NZ-O 3.23Å
253	S	83.8	Confident	76.3	Confident	37 Å²	37	60.5 Å²	60.5	26%	0.259	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-154.4	159.4	172.6	84.6	0	0	0	0	110.4	D255 K256 D257	S253-D255 PolarHBondContact O-N 2.76Å; S253-D255 VanDerWaalsContact O-N 3.13Å; S253-D255 PolarHBondContact OG-N 3.44Å; S253-D255 PolarHBondContact OG-OD2 2.78Å; S253-K256 PolarHBondContact O-N 3.05Å; S253-D257 PolarHBondContact N-O 2.84Å; S253-D257 VanDerWaalsContact N-O 3.14Å; S253-D257 CarbonylContact O-C 3.6Å; S253-D257 PolarHBondContact O-N 2.9Å; S253-D257 VanDerWaalsContact O-N 3.16Å; S253-D257 VanDerWaalsContact O-O 3.12Å
254	L	81.8	Confident	77.2	Confident	75 Å²	75	58.4 Å²	58.4	39%	0.393	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23	-179.5	-71.5	95.1	0	0	0	113.3	L46 L230	L46-L254 WeakPolarHBondContact CD2-O 3.47Å; L230-L254 HydrophobicContact CD2-CD1 4.29Å
255	D	79.8	Confident	77.8	Confident	134 Å²	134	56.1 Å²	56.1	72%	0.717	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-9.6	-172.4	-24.9	-96.2	0	0	0	114.1	S253	S253-D255 PolarHBondContact O-N 2.76Å; S253-D255 VanDerWaalsContact O-N 3.13Å; S253-D255 PolarHBondContact OG-N 3.44Å; S253-D255 PolarHBondContact OG-OD2 2.78Å
256	K	79.1	Confident	79.4	Confident	154 Å²	154	53.3 Å²	53.3	67%	0.67	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	-50.1	-173.9	-74.6	-167.7	171.9	-169	0	114.5	S42 L46 S253	S42-K256 CarbonylContact C-O 3.49Å; S42-K256 WeakPolarHBondContact CA-O 3.35Å; L46-K256 WeakPolarHBondContact CD1-O 3.42Å; S253-K256 PolarHBondContact O-N 3.05Å
257	D	85.8	Confident	80.1	Confident	14 Å²	14	48.8 Å²	48.8	8%	0.075	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-157.2	99	179.4	-175.8	7	0	0	0	108.9	K252 S253 L259	K252-D257 WeakPolarHBondContact CA-O 3.41Å; K252-D257 HydrophobicContact CD-CB 4.17Å; K252-D257 WeakPolarHBondContact CD-O 3.15Å; K252-D257 IonicContact NZ-OD1 3.08Å; K252-D257 IonicContact NZ-OD2 3.1Å; K252-D257 PolarHBondContact NZ-OD2 3.31Å; S253-D257 PolarHBondContact N-O 2.84Å; S253-D257 VanDerWaalsContact N-O 3.14Å; S253-D257 CarbonylContact O-C 3.6Å; S253-D257 PolarHBondContact O-N 2.9Å; S253-D257 VanDerWaalsContact O-N 3.16Å; S253-D257 VanDerWaalsContact O-O 3.12Å; D257-L259 PolarHBondContact OD1-N 3.07Å; D257-L259 VanDerWaalsContact OD1-N 3.09Å
258	P	89.4	Confident	81.3	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.243	C	C	.	.			trans	-90.2	1.4	178.6	38.4	-37.7	0	0	0	112.4	L46 I49 I229 L230 L260	L46-P258 HydrophobicContact CD2-CG 3.73Å; L46-P258 HydrophobicContact CG-CG 4.14Å; I49-P258 HydrophobicContact CD1-CG 4.22Å; I229-P258 CarbonylContact C-O 3.53Å; I229-P258 WeakPolarHBondContact CA-O 3.02Å; I229-P258 HydrophobicContact CG2-CB 4.12Å; I229-P258 HydrophobicContact CG2-CG 4.44Å; L230-P258 HydrophobicContact CB-CB 4.14Å; L230-P258 WeakPolarHBondContact CB-O 3.24Å; L230-P258 PolarHBondContact N-O 3.38Å; P258-L260 WeakPolarHBondContact O-CD1 3.48Å
259	L	90.7	Very high	82.1	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	132	-174.2	-62.3	-171.6	0	0	0	111.9	M38 L40 A45 I229 K252 D257	M38-L259 HydrophobicContact CE-CB 4.18Å; M38-L259 HydrophobicContact CE-CD1 4.37Å; M38-L259 HydrophobicContact CE-CD2 3.97Å; M38-L259 HydrophobicContact CE-CG 4.41Å; M38-L259 HydrophobicContact SD-CD2 4.1Å; L40-L259 WeakPolarHBondContact O-CD1 3.45Å; A45-L259 HydrophobicContact CB-CD1 3.66Å; A45-L259 HydrophobicContact CB-CD2 4.33Å; A45-L259 HydrophobicContact CB-CG 4Å; I229-L259 HydrophobicContact CG1-CD2 4.02Å; K252-L259 WeakPolarHBondContact CD-O 3.15Å; K252-L259 VanDerWaalsContact CE-O 3.26Å; K252-L259 WeakPolarHBondContact CE-O 3.5Å; K252-L259 PolarHBondContact NZ-O 3.23Å; D257-L259 PolarHBondContact OD1-N 3.07Å; D257-L259 VanDerWaalsContact OD1-N 3.09Å
260	L	91.6	Very high	82.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.7	175.1	-83.2	80.5	0	0	0	108.4	V218 L224 D227 G228 L230 L236 I238 P258 M273	V218-L260 HydrophobicContact CG1-CD2 4.33Å; V218-L260 HydrophobicContact CG2-CD2 4.14Å; L224-L260 HydrophobicContact CD1-CB 3.87Å; L224-L260 HydrophobicContact CD1-CD2 3.96Å; L224-L260 HydrophobicContact CD1-CG 4.1Å; L224-L260 HydrophobicContact CD2-CD2 4.33Å; D227-L260 WeakPolarHBondContact CA-O 3.44Å; G228-L260 PolarHBondContact N-O 3.42Å; G228-L260 PolarHBondContact O-N 3.49Å; L230-L260 HydrophobicContact CB-CD1 3.8Å; L230-L260 HydrophobicContact CD1-CD1 4.13Å; L230-L260 HydrophobicContact CG-CD1 4.49Å; L236-L260 HydrophobicContact CD2-CD2 4.24Å; I238-L260 HydrophobicContact CD1-CD2 4.11Å; I238-L260 HydrophobicContact CD1-CG 3.75Å; P258-L260 WeakPolarHBondContact O-CD1 3.48Å; L260-M273 HydrophobicContact CB-SD 3.61Å; L260-M273 HydrophobicContact CD2-CB 4.2Å; L260-M273 HydrophobicContact CD2-CG 4.29Å; L260-M273 HydrophobicContact CD2-SD 3.54Å; L260-M273 VanDerWaalsContact CD2-SD 3.54Å; L260-M273 HydrophobicContact CG-SD 4.16Å
261	L	90.9	Very high	82.9	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.207	C	C	.	.			trans	-115.9	133.5	-169.4	-58.5	178.1	0	0	0	111.5	M38 L224 L243 T264 Q283	M38-L261 HydrophobicContact CE-CD2 3.65Å; L224-L261 WeakPolarHBondContact CB-O 3.44Å; L243-L261 HydrophobicContact CD1-CB 3.72Å; L243-L261 HydrophobicContact CD1-CD1 3.78Å; L243-L261 HydrophobicContact CD1-CG 4.37Å; L261-T264 HydrophobicContact CB-CG2 3.91Å; L261-T264 WeakPolarHBondContact O-CB 3.41Å; L261-T264 PolarHBondContact O-N 3.23Å; L261-T264 PolarHBondContact O-OG1 2.98Å; L261-Q283 HydrophobicContact CD2-CG 4.12Å
262	S	89.9	Confident	83.4	Confident	5 Å²	5	34.7 Å²	34.7	4%	0.035	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	140.5	172.3	52.2	0	0	0	0	111.7	L224 D227 T264 S282 T284	L224-S262 WeakPolarHBondContact O-CA 3.27Å; D227-S262 VanDerWaalsContact OD1-CB 3.25Å; D227-S262 WeakPolarHBondContact OD1-CB 3.04Å; D227-S262 PolarHBondContact OD1-N 3.49Å; D227-S262 PolarHBondContact OD1-OG 3.24Å; S262-T264 VanDerWaalsContact C-N 3.33Å; S262-S282 WeakPolarHBondContact OG-CB 3.46Å; S262-S282 PolarHBondContact OG-OG 2.88Å; S262-T284 PolarHBondContact O-OG1 2.87Å
263	G	82.5	Confident	83.8	Confident	22 Å²	22	34.1 Å²	34.1	23%	0.227	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	6.3	-177.5	0	0	0	0	0	115.2	L224 S242	L224-G263 PolarHBondContact O-N 2.83Å; S242-G263 WeakPolarHBondContact CB-O 3.45Å; S242-G263 PolarHBondContact OG-O 3.12Å
264	T	86.1	Confident	84.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.			trans	-109	159.6	174.4	69.7	0	0	0	0	111.2	L224 I238 D239 E240 L243 L261 S262	L224-T264 PolarHBondContact N-O 2.91Å; I238-T264 WeakPolarHBondContact CG2-OG1 3.33Å; D239-T264 VanDerWaalsContact O-CB 3.28Å; D239-T264 WeakPolarHBondContact O-CB 3.32Å; E240-T264 HydrophobicContact CB-CG2 4.21Å; E240-T264 HydrophobicContact CG-CG2 4.13Å; L243-T264 HydrophobicContact CD1-CG2 3.71Å; L243-T264 HydrophobicContact CG-CG2 4.24Å; L261-T264 HydrophobicContact CB-CG2 3.91Å; L261-T264 WeakPolarHBondContact O-CB 3.41Å; L261-T264 PolarHBondContact O-N 3.23Å; L261-T264 PolarHBondContact O-OG1 2.98Å; S262-T264 VanDerWaalsContact C-N 3.33Å
265	H	79.8	Confident	85	Confident	20 Å²	20	28.8 Å²	28.8	9%	0.093	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138	-169.4	-60.3	-64.1	0	0	0	112.7	I238 D239 M267 V821 E824	I238-H265 CarbonylContact C-O 3.55Å; I238-H265 VanDerWaalsContact CA-O 3.26Å; I238-H265 WeakPolarHBondContact CA-O 3.29Å; I238-H265 WeakPolarHBondContact CG2-O 3.36Å; D239-H265 PolarHBondContact N-O 3.09Å; D239-H265 PolarHBondContact O-N 3.32Å; H265-M267 HydrophobicContact CB-SD 4.45Å; H265-M267 PolarHBondContact O-N 2.82Å; H265-V821 HydrophobicContact CB-CG2 3.8Å; H265-E824 IonicContact CE1-OE2 2.72Å
266	V	80.1	Confident	85.5	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	109.8	176.8	-173.9	0	0	0	0	110.6	V218 K219 G221 D222 L224 L236	V218-V266 HydrophobicContact CB-CG2 4.42Å; K219-V266 WeakPolarHBondContact O-CB 3.22Å; K219-V266 WeakPolarHBondContact O-CG1 3.2Å; G221-V266 PolarHBondContact N-O 2.79Å; D222-V266 HydrophobicContact CB-CG2 4.34Å; D222-V266 PolarHBondContact O-N 2.87Å; L224-V266 HydrophobicContact CD2-CG2 4.06Å; L224-V266 HydrophobicContact CG-CG2 4.33Å; L236-V266 HydrophobicContact CD1-CG1 3.52Å
267	M	71.3	Confident	86.2	Confident	38 Å²	38	15.1 Å²	15.1	19%	0.187	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-18.7	-172.6	-65.6	-58.5	-88.2	0	0	114.5	Y220 K237 D239 H265	Y220-M267 VanDerWaalsContact CD2-C 3.49Å; Y220-M267 WeakPolarHBondContact CD2-O 3.48Å; Y220-M267 WeakPolarHBondContact CE2-O 3.44Å; K237-M267 PolarHBondContact O-N 3.4Å; D239-M267 HydrophobicContact CB-CG 3.51Å; D239-M267 HydrophobicContact CB-SD 4.15Å; H265-M267 HydrophobicContact CB-SD 4.45Å; H265-M267 PolarHBondContact O-N 2.82Å
268	E	71.5	Confident	86.5	Confident	67 Å²	67	14.4 Å²	14.4	31%	0.313	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	167.3	166.7	49.9	175.6	-89.7	0	0	110.8	K237	K237-E268 HydrophobicContact CB-CG 3.59Å; K237-E268 HydrophobicContact CD-CG 4Å; K237-E268 WeakPolarHBondContact CD-OE2 3.39Å; K237-E268 HydrophobicContact CG-CG 3.58Å; K237-E268 PolarHBondContact N-O 2.95Å; K237-E268 IonicContact NZ-OE1 2.77Å; K237-E268 PolarHBondContact NZ-OE1 2.82Å; K237-E268 IonicContact NZ-OE2 3.79Å; K237-E268 PolarHBondContact NZ-OE2 3.33Å; K237-E268 PolarHBondContact O-N 2.9Å
269	G	73.8	Confident	86.5	Confident	27 Å²	27	14.5 Å²	14.5	28%	0.278	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	-164.4	178.9	0	0	0	0	0	114.5	Y220 N234 D235	Y220-G269 PolarHBondContact N-O 2.73Å; N234-G269 WeakPolarHBondContact O-CA 3.45Å; D235-G269 WeakPolarHBondContact O-CA 3.31Å
270	S	81.1	Confident	86.3	Confident	51 Å²	51	17.1 Å²	17.1	36%	0.357	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	165.9	174.1	62.2	0	0	0	0	111.6	V218 G233 N234	V218-S270 CarbonylContact O-C 3.56Å; V218-S270 WeakPolarHBondContact O-CA 3.28Å; V218-S270 WeakPolarHBondContact O-CB 3.47Å; G233-S270 CarbonylContact C-O 3.54Å; G233-S270 WeakPolarHBondContact CA-O 3.38Å; N234-S270 PolarHBondContact N-O 3.48Å; N234-S270 PolarHBondContact O-N 2.92Å; N234-S270 VanDerWaalsContact O-N 3.17Å
271	G	86.4	Confident	86.2	Confident	9 Å²	9	18.5 Å²	18.5	9%	0.093	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	-170.5	179.7	0	0	0	0	0	114.9	V218 Q232	V218-G271 PolarHBondContact N-O 3.39Å; V218-G271 PolarHBondContact O-N 2.64Å; Q232-G271 CarbonylContact O-C 3.54Å; Q232-G271 WeakPolarHBondContact O-CA 3.49Å
272	R	90.4	Very high	86.1	Confident	60 Å²	60	18.6 Å²	18.6	23%	0.226	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135	172.6	-64.3	179.4	177.6	-163.2	-1.8	108.7	A216 I231 Q232	A216-R272 WeakPolarHBondContact O-CA 3.39Å; I231-R272 PolarHBondContact N-O 2.84Å; Q232-R272 HydrophobicContact CB-CB 4.48Å; Q232-R272 PolarHBondContact N-O 3.43Å; Q232-R272 PolarHBondContact O-N 2.93Å
273	M	93.8	Very high	85.8	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.6	173.4	68.6	175.8	-172.5	0	0	111.7	I215 A216 V218 L224 I229 L260	I215-M273 CarbonylContact C-O 3.56Å; I215-M273 WeakPolarHBondContact CA-O 3.41Å; A216-M273 HydrophobicContact CB-CE 3.73Å; A216-M273 HydrophobicContact CB-CG 3.87Å; A216-M273 PolarHBondContact N-O 3.31Å; A216-M273 PolarHBondContact O-N 2.94Å; V218-M273 HydrophobicContact CG1-CE 4.24Å; V218-M273 HydrophobicContact CG1-CG 4.21Å; V218-M273 HydrophobicContact CG1-SD 4.23Å; L224-M273 HydrophobicContact CD2-CE 4.18Å; I229-M273 CarbonylContact O-C 3.59Å; I229-M273 WeakPolarHBondContact O-CA 3.43Å; I229-M273 WeakPolarHBondContact O-CB 3.27Å; L260-M273 HydrophobicContact CB-SD 3.61Å; L260-M273 HydrophobicContact CD2-CB 4.2Å; L260-M273 HydrophobicContact CD2-CG 4.29Å; L260-M273 HydrophobicContact CD2-SD 3.54Å; L260-M273 VanDerWaalsContact CD2-SD 3.54Å; L260-M273 HydrophobicContact CG-SD 4.16Å
274	V	94.8	Very high	85.8	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.2	163.9	57.6	0	0	0	0	108.9	V56 L63 T65 I215 G228 I229 I231	V56-V274 HydrophobicContact CG1-CG1 4.29Å; L63-V274 HydrophobicContact CD1-CG2 3.96Å; T65-V274 HydrophobicContact CG2-CG2 4.25Å; I215-V274 HydrophobicContact CD1-CB 4.02Å; I215-V274 HydrophobicContact CD1-CG2 4.24Å; G228-V274 CarbonylContact C-O 3.57Å; G228-V274 WeakPolarHBondContact CA-O 3.34Å; I229-V274 HydrophobicContact CB-CG1 4.12Å; I229-V274 PolarHBondContact N-O 3.29Å; I229-V274 PolarHBondContact O-N 2.75Å; I231-V274 HydrophobicContact CD1-CB 4.07Å; I231-V274 HydrophobicContact CG1-CB 4.49Å; I231-V274 HydrophobicContact CG1-CG1 4.47Å
275	V	95.4	Very high	85.6	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.8	178.1	176.6	0	0	0	0	110.1	I210 G213 D214 A216 A226 D227 V278	I210-V275 HydrophobicContact CG2-CG1 4.2Å; I210-V275 HydrophobicContact CG2-CG2 3.99Å; G213-V275 PolarHBondContact N-O 3.04Å; D214-V275 HydrophobicContact CB-CB 4.48Å; D214-V275 HydrophobicContact CB-CG2 4.15Å; D214-V275 PolarHBondContact O-N 3.06Å; A216-V275 HydrophobicContact CB-CG2 4.2Å; A226-V275 HydrophobicContact CB-CG1 3.73Å; A226-V275 HydrophobicContact CB-CG2 4.45Å; D227-V275 WeakPolarHBondContact O-CA 3.4Å; V275-V278 HydrophobicContact CG1-CG1 3.67Å
276	T	92	Very high	85.6	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-36.6	-176.3	50.2	0	0	0	0	113.7	L34 M38 V212 D227 G228 I229	L34-T276 HydrophobicContact CD2-CG2 4.01Å; M38-T276 HydrophobicContact SD-CG2 4.49Å; M38-T276 PolarHBondContact SD-OG1 3.18Å; V212-T276 WeakPolarHBondContact CG2-O 3.5Å; D227-T276 PolarHBondContact O-N 3.29Å; D227-T276 PolarHBondContact O-OG1 3.4Å; G228-T276 WeakPolarHBondContact CA-OG1 3.3Å; G228-T276 PolarHBondContact N-OG1 2.96Å; I229-T276 HydrophobicContact CD1-CG2 3.75Å; I229-T276 HydrophobicContact CG1-CG2 3.81Å
277	A	92.3	Very high	85.4	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	143.7	178.6	0	0	0	0	0	112.5	D227	D227-A277 HydrophobicContact CB-CB 4.08Å; D227-A277 PolarHBondContact N-O 3.09Å; D227-A277 PolarHBondContact O-N 2.82Å
278	V	93.4	Very high	85.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.			trans	-134.2	154	-170.3	-67.3	0	0	0	0	111.6	G86 N88 V212 A226 V275 V280 N281	G86-V278 WeakPolarHBondContact O-CG2 3.41Å; N88-V278 HydrophobicContact CB-CB 3.83Å; N88-V278 HydrophobicContact CB-CG1 4.14Å; N88-V278 WeakPolarHBondContact OD1-CA 3.44Å; N88-V278 WeakPolarHBondContact OD1-CB 3.17Å; V212-V278 HydrophobicContact CG2-CG1 4.16Å; V212-V278 HydrophobicContact CG2-CG2 4.05Å; A226-V278 HydrophobicContact CB-CG1 4.01Å; V275-V278 HydrophobicContact CG1-CG1 3.67Å; V278-V280 PolarHBondContact O-N 3.03Å; V278-N281 WeakPolarHBondContact O-CB 3.31Å; V278-N281 PolarHBondContact O-N 2.95Å; V278-N281 VanDerWaalsContact O-N 3.07Å
279	G	88.8	Confident	85.3	Confident	2 Å²	2	26.1 Å²	26.1	2%	0.021	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	55	-132.5	174.2	0	0	0	0	0	112.7	N88 N281 S282 G285	N88-G279 PolarHBondContact OD1-N 2.82Å; G279-N281 PolarHBondContact O-N 3.02Å; G279-N281 VanDerWaalsContact O-N 3.11Å; G279-S282 PolarHBondContact O-N 2.7Å; G279-S282 VanDerWaalsContact O-N 3.16Å; G279-S282 PolarHBondContact O-OG 2.82Å; G279-G285 WeakPolarHBondContact O-CA 3.44Å
280	V	86.9	Confident	85.1	Confident	56 Å²	56	31.7 Å²	31.7	34%	0.339	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-64.4	-11.6	179.4	-61.2	0	0	0	0	114.8	I90 V278	I90-V280 HydrophobicContact CG1-CG1 4.5Å; V278-V280 PolarHBondContact O-N 3.03Å
281	N	89.4	Confident	84	Confident	29 Å²	29	35.8 Å²	35.8	16%	0.155	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-90.7	-11.2	177.5	-66	-42	0	0	0	113.4	L31 F85 V278 G279	L31-N281 HydrophobicContact CD1-CB 4.15Å; F85-N281 PolarHBondContact O-ND2 3.22Å; V278-N281 WeakPolarHBondContact O-CB 3.31Å; V278-N281 PolarHBondContact O-N 2.95Å; V278-N281 VanDerWaalsContact O-N 3.07Å; G279-N281 PolarHBondContact O-N 3.02Å; G279-N281 VanDerWaalsContact O-N 3.11Å
282	S	89.4	Confident	82.2	Confident	4 Å²	4	38 Å²	38	3%	0.028	21%	0.21	C	C	.	.	S	Bend	trans	-77	160.4	175	90.9	0	0	0	0	111.5	D227 S262 G279 T284 G285 I286	D227-S282 VanDerWaalsContact OD2-CA 3.24Å; D227-S282 WeakPolarHBondContact OD2-CA 3.35Å; D227-S282 WeakPolarHBondContact OD2-CB 3.34Å; S262-S282 WeakPolarHBondContact OG-CB 3.46Å; S262-S282 PolarHBondContact OG-OG 2.88Å; G279-S282 PolarHBondContact O-N 2.7Å; G279-S282 VanDerWaalsContact O-N 3.16Å; G279-S282 PolarHBondContact O-OG 2.82Å; S282-T284 VanDerWaalsContact C-N 3.32Å; S282-T284 PolarHBondContact O-N 3.35Å; S282-G285 CarbonylContact O-C 3.55Å; S282-G285 WeakPolarHBondContact O-CA 3.15Å; S282-G285 PolarHBondContact O-N 2.85Å; S282-G285 PolarHBondContact OG-N 2.86Å; S282-G285 VanDerWaalsContact OG-N 3.11Å; S282-I286 WeakPolarHBondContact O-CD1 3.36Å; S282-I286 VanDerWaalsContact O-CG1 3.25Å; S282-I286 WeakPolarHBondContact O-CG1 3.37Å; S282-I286 PolarHBondContact O-N 3.26Å
283	Q	83.8	Confident	80.2	Confident	24 Å²	24	36.4 Å²	36.4	11%	0.112	21%	0.209	C	C	.	.	H	α-helix	trans	-54.7	-46.6	178.5	-65.8	-60.2	-67.2	0	0	112.1	M38 D227 L261 I286 I287	M38-Q283 HydrophobicContact CB-CG 4.23Å; M38-Q283 VanDerWaalsContact O-CD 3.29Å; M38-Q283 WeakPolarHBondContact O-CG 3.17Å; D227-Q283 PolarHBondContact OD2-N 3.07Å; L261-Q283 HydrophobicContact CD2-CG 4.12Å; Q283-I286 PolarHBondContact O-N 3.17Å; Q283-I287 WeakPolarHBondContact O-CG1 3.39Å; Q283-I287 PolarHBondContact O-N 3.39Å
284	T	81.9	Confident	77.5	Confident	38 Å²	38	37.4 Å²	37.4	23%	0.233	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-41.4	174.1	-72.4	0	0	0	0	112.1	S262 S282 I286 I287 F288	S262-T284 PolarHBondContact O-OG1 2.87Å; S282-T284 VanDerWaalsContact C-N 3.32Å; S282-T284 PolarHBondContact O-N 3.35Å; T284-I286 PolarHBondContact O-N 3.02Å; T284-I287 PolarHBondContact O-N 3.37Å; T284-F288 WeakPolarHBondContact O-CB 3.47Å; T284-F288 PolarHBondContact O-N 3.15Å
285	G	80.8	Confident	74.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-37.6	176.5	0	0	0	0	0	114	G279 S282 T289	G279-G285 WeakPolarHBondContact O-CA 3.44Å; S282-G285 CarbonylContact O-C 3.55Å; S282-G285 WeakPolarHBondContact O-CA 3.15Å; S282-G285 PolarHBondContact O-N 2.85Å; S282-G285 PolarHBondContact OG-N 2.86Å; S282-G285 VanDerWaalsContact OG-N 3.11Å; G285-T289 VanDerWaalsContact O-CB 3.27Å; G285-T289 WeakPolarHBondContact O-CB 3.28Å; G285-T289 PolarHBondContact O-N 2.86Å; G285-T289 PolarHBondContact O-OG1 3.07Å
286	I	81.1	Confident	72.3	Confident	21 Å²	21	44.8 Å²	44.8	11%	0.108	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-47.9	175.3	-66.2	159.4	0	0	0	110.1	R35 S282 Q283 T284 F288 T289 L290	R35-I286 HydrophobicContact CG-CD1 4.24Å; S282-I286 WeakPolarHBondContact O-CD1 3.36Å; S282-I286 VanDerWaalsContact O-CG1 3.25Å; S282-I286 WeakPolarHBondContact O-CG1 3.37Å; S282-I286 PolarHBondContact O-N 3.26Å; Q283-I286 PolarHBondContact O-N 3.17Å; T284-I286 PolarHBondContact O-N 3.02Å; I286-F288 PolarHBondContact O-N 3.07Å; I286-T289 WeakPolarHBondContact O-CB 3.24Å; I286-T289 PolarHBondContact O-N 2.87Å; I286-L290 HydrophobicContact CG2-CD1 4.07Å; I286-L290 WeakPolarHBondContact O-CG 3.36Å; I286-L290 PolarHBondContact O-N 2.82Å
287	I	76.1	Confident	69.7	Low	74 Å²	74	51.2 Å²	51.2	38%	0.379	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-46.1	177.4	-68.2	163.5	0	0	0	110.7	L243 Q283 T284 T289 L290 L291	L243-I287 HydrophobicContact CD2-CD1 3.6Å; Q283-I287 WeakPolarHBondContact O-CG1 3.39Å; Q283-I287 PolarHBondContact O-N 3.39Å; T284-I287 PolarHBondContact O-N 3.37Å; I287-T289 VanDerWaalsContact C-N 3.31Å; I287-T289 PolarHBondContact O-N 2.94Å; I287-L290 PolarHBondContact O-N 2.94Å; I287-L291 HydrophobicContact CG2-CD1 3.82Å; I287-L291 HydrophobicContact CG2-CG 4.4Å; I287-L291 WeakPolarHBondContact O-CB 3.3Å; I287-L291 VanDerWaalsContact O-CG 3.31Å; I287-L291 WeakPolarHBondContact O-CG 3.37Å; I287-L291 PolarHBondContact O-N 2.87Å
288	F	68.5	Low	67.2	Low	110 Å²	110	58.5 Å²	58.5	48%	0.482	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-35.2	179.3	-152.3	-104.2	0	0	0	112.4	I90 T284 I286 L291 A293	I90-F288 HydrophobicContact CG2-CD1 3.82Å; I90-F288 HydrophobicContact CG2-CE1 4.39Å; T284-F288 WeakPolarHBondContact O-CB 3.47Å; T284-F288 PolarHBondContact O-N 3.15Å; I286-F288 PolarHBondContact O-N 3.07Å; F288-L291 PolarHBondContact O-N 2.89Å; F288-A293 HydrophobicContact CD1-CB 3.3Å; F288-A293 HydrophobicContact CE1-CB 3.46Å; F288-A293 VanDerWaalsContact CE1-CB 3.46Å; F288-A293 HydrophobicContact CG-CB 4.26Å; F288-A293 VanDerWaalsContact O-CB 3.27Å; F288-A293 WeakPolarHBondContact O-CB 3.22Å; F288-A293 PolarHBondContact O-N 3.46Å
289	T	70.4	Confident	64.4	Low	43 Å²	43	64.2 Å²	64.2	26%	0.264	36%	0.358	S	S	.	.	I	π-helix	trans	-62	-50	171.9	-64.1	0	0	0	0	111.1	G285 I286 I287 L291 G292	G285-T289 VanDerWaalsContact O-CB 3.27Å; G285-T289 WeakPolarHBondContact O-CB 3.28Å; G285-T289 PolarHBondContact O-N 2.86Å; G285-T289 PolarHBondContact O-OG1 3.07Å; I286-T289 WeakPolarHBondContact O-CB 3.24Å; I286-T289 PolarHBondContact O-N 2.87Å; I287-T289 VanDerWaalsContact C-N 3.31Å; I287-T289 PolarHBondContact O-N 2.94Å; T289-L291 VanDerWaalsContact C-N 3.31Å; T289-L291 PolarHBondContact O-N 3.43Å; T289-G292 PolarHBondContact O-N 3.44Å; T289-G292 VanDerWaalsContact O-N 3.08Å
290	L	70.1	Confident	61.9	Low	144 Å²	144	69.2 Å²	69.2	75%	0.754	38%	0.38	S	S	*	.	I	π-helix	trans	-64.4	-31	178.4	-69.8	169.4	0	0	0	113.3	I286 I287 G292	I286-L290 HydrophobicContact CG2-CD1 4.07Å; I286-L290 WeakPolarHBondContact O-CG 3.36Å; I286-L290 PolarHBondContact O-N 2.82Å; I287-L290 PolarHBondContact O-N 2.94Å; L290-G292 PolarHBondContact O-N 3.21Å
291	L	58.3	Low	59.6	Low	137 Å²	137	71.8 Å²	71.8	72%	0.717	39%	0.386	S	S	*	.	I	π-helix	trans	-74.6	6.6	173.6	-69.8	171.6	0	0	0	113.8	I287 F288 T289	I287-L291 HydrophobicContact CG2-CD1 3.82Å; I287-L291 HydrophobicContact CG2-CG 4.4Å; I287-L291 WeakPolarHBondContact O-CB 3.3Å; I287-L291 VanDerWaalsContact O-CG 3.31Å; I287-L291 WeakPolarHBondContact O-CG 3.37Å; I287-L291 PolarHBondContact O-N 2.87Å; F288-L291 PolarHBondContact O-N 2.89Å; T289-L291 VanDerWaalsContact C-N 3.31Å; T289-L291 PolarHBondContact O-N 3.43Å
292	G	49.2	Very low	57.1	Low	56 Å²	56	74.2 Å²	74.2	58%	0.577	40%	0.399	S	S	*	.	I	π-helix	trans	92.9	16	170.1	0	0	0	0	0	115.4	T289 L290	T289-G292 PolarHBondContact O-N 3.44Å; T289-G292 VanDerWaalsContact O-N 3.08Å; L290-G292 PolarHBondContact O-N 3.21Å
293	A	47.6	Very low	54.6	Low	25 Å²	25	80.1 Å²	80.1	21%	0.207	43%	0.426	C	S	.	.	I	π-helix	trans	-76.9	-32.1	167.1	0	0	0	0	0	112.2	F288	F288-A293 HydrophobicContact CD1-CB 3.3Å; F288-A293 HydrophobicContact CE1-CB 3.46Å; F288-A293 VanDerWaalsContact CE1-CB 3.46Å; F288-A293 HydrophobicContact CG-CB 4.26Å; F288-A293 VanDerWaalsContact O-CB 3.27Å; F288-A293 WeakPolarHBondContact O-CB 3.22Å; F288-A293 PolarHBondContact O-N 3.46Å
294	G	37.6	Very low	52.4	Low	21 Å²	21	85.5 Å²	85.5	22%	0.216	45%	0.449	C	S	.	.	S	Bend	trans	-86.4	113.1	175.8	0	0	0	0	0	112.1	E296	G294-E296 PolarHBondContact O-N 3.16Å; G294-E296 VanDerWaalsContact O-N 3.12Å
295	G	39.9	Very low	50.5	Low	52 Å²	52	90 Å²	90	54%	0.536	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	3.8	-176.1	0	0	0	0	0	116.6	E297 E298	G295-E297 PolarHBondContact O-N 2.81Å; G295-E297 VanDerWaalsContact O-N 3.13Å; G295-E298 PolarHBondContact O-N 2.89Å; G295-E298 VanDerWaalsContact O-N 3.15Å
296	E	41.1	Very low	48.5	Very low	105 Å²	105	96.8 Å²	96.8	49%	0.491	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-23.1	-173.2	-62.1	-170.8	-177.8	0	0	114.1	G294 E298 E299 K300	G294-E296 PolarHBondContact O-N 3.16Å; G294-E296 VanDerWaalsContact O-N 3.12Å; E296-E298 PolarHBondContact O-N 3.38Å; E296-E299 PolarHBondContact O-N 3.13Å; E296-K300 HydrophobicContact CB-CD 4.31Å; E296-K300 VanDerWaalsContact O-CB 3.27Å; E296-K300 WeakPolarHBondContact O-CB 3.34Å; E296-K300 WeakPolarHBondContact O-CG 3.31Å; E296-K300 PolarHBondContact O-N 3.18Å; E296-K300 IonicContact OE2-NZ 2.64Å; E296-K300 PolarHBondContact OE2-NZ 3.48Å
297	E	38.3	Very low	46.4	Very low	135 Å²	135	100.6 Å²	100.6	63%	0.631	51%	0.513	S	S	*	.	H	α-helix	trans	-61.8	-22.6	176.1	-92	-100.1	151.3	0	0	113.7	G295 K301	G295-E297 PolarHBondContact O-N 2.81Å; G295-E297 VanDerWaalsContact O-N 3.13Å; E297-K301 WeakPolarHBondContact O-CD 3.24Å; E297-K301 WeakPolarHBondContact O-CE 3.46Å; E297-K301 WeakPolarHBondContact O-CG 3.42Å; E297-K301 PolarHBondContact O-NZ 3.45Å; E297-K301 IonicContact OE2-NZ 3.89Å; E297-K301 PolarHBondContact OE2-NZ 3.33Å
298	E	38.1	Very low	44.6	Very low	153 Å²	153	105 Å²	105	72%	0.715	53%	0.529	S	S	*	.	H	α-helix	trans	-91.4	-43.9	175.4	-63	-161.4	132.5	0	0	111.5	G295 E296 K300 K301 D302	G295-E298 PolarHBondContact O-N 2.89Å; G295-E298 VanDerWaalsContact O-N 3.15Å; E296-E298 PolarHBondContact O-N 3.38Å; E298-K300 PolarHBondContact O-N 3.14Å; E298-K301 WeakPolarHBondContact O-CB 3.44Å; E298-K301 PolarHBondContact O-N 2.96Å; E298-D302 PolarHBondContact O-N 3.15Å; E298-D302 VanDerWaalsContact O-N 3.07Å
299	E	35.5	Very low	43.2	Very low	120 Å²	120	107.7 Å²	107.7	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-61.4	-43.7	176.9	-69.1	177.3	179.3	0	0	110.9	E296 K301 D302 E303	E296-E299 PolarHBondContact O-N 3.13Å; E299-K301 PolarHBondContact O-N 3.09Å; E299-D302 PolarHBondContact O-N 2.99Å; E299-D302 VanDerWaalsContact O-N 3.14Å; E299-E303 PolarHBondContact O-N 3.24Å
300	K	37.1	Very low	41.3	Very low	107 Å²	107	111.8 Å²	111.8	47%	0.465	56%	0.561	S	S	.	*	H	α-helix	trans	-66.4	-18.6	173.9	-72.5	166.8	176.5	165	0	113.9	E296 E298 K304	E296-K300 HydrophobicContact CB-CD 4.31Å; E296-K300 VanDerWaalsContact O-CB 3.27Å; E296-K300 WeakPolarHBondContact O-CB 3.34Å; E296-K300 WeakPolarHBondContact O-CG 3.31Å; E296-K300 PolarHBondContact O-N 3.18Å; E296-K300 IonicContact OE2-NZ 2.64Å; E296-K300 PolarHBondContact OE2-NZ 3.48Å; E298-K300 PolarHBondContact O-N 3.14Å; K300-K304 WeakPolarHBondContact O-CB 3.29Å; K300-K304 WeakPolarHBondContact O-CD 3.18Å; K300-K304 VanDerWaalsContact O-CG 3.25Å; K300-K304 WeakPolarHBondContact O-CG 3.43Å; K300-K304 PolarHBondContact O-N 2.96Å
301	K	37	Very low	39.5	Very low	109 Å²	109	112.5 Å²	112.5	47%	0.474	56%	0.558	S	S	.	*	H	α-helix	trans	-80.2	-38.8	171.3	-77	171.2	-168	117.3	0	111.3	E297 E298 E299 K305	E297-K301 WeakPolarHBondContact O-CD 3.24Å; E297-K301 WeakPolarHBondContact O-CE 3.46Å; E297-K301 WeakPolarHBondContact O-CG 3.42Å; E297-K301 PolarHBondContact O-NZ 3.45Å; E297-K301 IonicContact OE2-NZ 3.89Å; E297-K301 PolarHBondContact OE2-NZ 3.33Å; E298-K301 WeakPolarHBondContact O-CB 3.44Å; E298-K301 PolarHBondContact O-N 2.96Å; E299-K301 PolarHBondContact O-N 3.09Å; K301-K305 WeakPolarHBondContact O-CG 2.78Å; K301-K305 PolarHBondContact O-N 3.26Å; K301-K305 VanDerWaalsContact O-N 3.09Å
302	D	37.7	Very low	38.5	Very low	81 Å²	81	114.7 Å²	114.7	43%	0.433	56%	0.562	S	S	.	*	H	α-helix	trans	-80.5	-29.9	179.6	-84.1	2.8	0	0	0	113.8	E298 E299 K305 K306	E298-D302 PolarHBondContact O-N 3.15Å; E298-D302 VanDerWaalsContact O-N 3.07Å; E299-D302 PolarHBondContact O-N 2.99Å; E299-D302 VanDerWaalsContact O-N 3.14Å; D302-K305 WeakPolarHBondContact O-CB 3.05Å; D302-K305 PolarHBondContact O-N 3.5Å; D302-K305 VanDerWaalsContact OD1-CD 3.31Å; D302-K305 WeakPolarHBondContact OD1-CD 3.5Å; D302-K305 VanDerWaalsContact OD1-CE 3.27Å; D302-K305 WeakPolarHBondContact OD1-CE 3.23Å; D302-K305 IonicContact OD1-NZ 3.98Å; D302-K305 PolarHBondContact OD1-NZ 3.07Å; D302-K306 WeakPolarHBondContact O-CG 3.26Å; D302-K306 PolarHBondContact O-N 3.45Å
303	E	35.7	Very low	37.8	Very low	128 Å²	128	120.2 Å²	120.2	60%	0.598	57%	0.572	S	S	*	*	H	α-helix	trans	-63.3	-45	165.9	-70.3	-162.4	133.4	0	0	111.5	E299 K305 K306 E307	E299-E303 PolarHBondContact O-N 3.24Å; E303-K305 PolarHBondContact O-N 3.2Å; E303-K306 WeakPolarHBondContact O-CA 3.36Å; E303-K306 PolarHBondContact O-N 3.49Å; E303-E307 PolarHBondContact O-N 3.31Å
304	K	38.9	Very low	36.8	Very low	137 Å²	137	127 Å²	127	60%	0.596	61%	0.605	S	S	*	*	H	α-helix	trans	-63.9	-21.8	173.7	-74.9	175.5	-178.9	172.8	0	113.3	K300 K308	K300-K304 WeakPolarHBondContact O-CB 3.29Å; K300-K304 WeakPolarHBondContact O-CD 3.18Å; K300-K304 VanDerWaalsContact O-CG 3.25Å; K300-K304 WeakPolarHBondContact O-CG 3.43Å; K300-K304 PolarHBondContact O-N 2.96Å; K304-K308 WeakPolarHBondContact O-CB 3.4Å; K304-K308 VanDerWaalsContact O-CG 3.29Å; K304-K308 WeakPolarHBondContact O-CG 3.34Å; K304-K308 PolarHBondContact O-N 3.02Å
305	K	42	Very low	36.3	Very low	133 Å²	133	129.9 Å²	129.9	58%	0.578	63%	0.634	S	S	*	*	H	α-helix	trans	-76.6	-40.1	167	-71.4	175.9	-160.7	157.1	0	112.2	K301 D302 E303 K308 K309	K301-K305 WeakPolarHBondContact O-CG 2.78Å; K301-K305 PolarHBondContact O-N 3.26Å; K301-K305 VanDerWaalsContact O-N 3.09Å; D302-K305 WeakPolarHBondContact O-CB 3.05Å; D302-K305 PolarHBondContact O-N 3.5Å; D302-K305 VanDerWaalsContact OD1-CD 3.31Å; D302-K305 WeakPolarHBondContact OD1-CD 3.5Å; D302-K305 VanDerWaalsContact OD1-CE 3.27Å; D302-K305 WeakPolarHBondContact OD1-CE 3.23Å; D302-K305 IonicContact OD1-NZ 3.98Å; D302-K305 PolarHBondContact OD1-NZ 3.07Å; E303-K305 PolarHBondContact O-N 3.2Å; K305-K308 PolarHBondContact O-N 3.46Å; K305-K309 PolarHBondContact O-N 3.16Å; K305-K309 VanDerWaalsContact O-N 3.07Å
306	K	38.7	Very low	35.8	Very low	142 Å²	142	131.7 Å²	131.7	62%	0.617	64%	0.644	S	S	*	*	H	α-helix	trans	-65.2	-47.3	176.8	-72.1	173.1	-177.4	172.4	0	111.6	D302 E303 K308 K309 N310	D302-K306 WeakPolarHBondContact O-CG 3.26Å; D302-K306 PolarHBondContact O-N 3.45Å; E303-K306 WeakPolarHBondContact O-CA 3.36Å; E303-K306 PolarHBondContact O-N 3.49Å; K306-K308 VanDerWaalsContact C-N 3.32Å; K306-K308 PolarHBondContact O-N 2.96Å; K306-K309 WeakPolarHBondContact O-CB 3.21Å; K306-K309 PolarHBondContact O-N 2.63Å; K306-N310 PolarHBondContact O-N 2.72Å
307	E	36	Very low	35.2	Very low	101 Å²	101	134.3 Å²	134.3	47%	0.472	66%	0.66	S	S	.	*	H	α-helix	trans	-56.2	-44.3	172.6	-82.2	-151.9	94.4	0	0	112.5	E303 K309 N310 K311	E303-E307 PolarHBondContact O-N 3.31Å; E307-K309 PolarHBondContact O-N 3Å; E307-N310 PolarHBondContact O-N 3.45Å; E307-K311 PolarHBondContact O-N 2.98Å; E307-K311 IonicContact OE1-NZ 2.73Å; E307-K311 PolarHBondContact OE1-NZ 2.86Å
308	K	40.1	Very low	34.6	Very low	167 Å²	167	136.1 Å²	136.1	73%	0.726	67%	0.669	S	S	*	*	H	α-helix	trans	-70	-15.1	177.5	-78.8	-178	175.4	-178.3	0	114.2	K304 K305 K306	K304-K308 WeakPolarHBondContact O-CB 3.4Å; K304-K308 VanDerWaalsContact O-CG 3.29Å; K304-K308 WeakPolarHBondContact O-CG 3.34Å; K304-K308 PolarHBondContact O-N 3.02Å; K305-K308 PolarHBondContact O-N 3.46Å; K306-K308 VanDerWaalsContact C-N 3.32Å; K306-K308 PolarHBondContact O-N 2.96Å
309	K	38.1	Very low	34	Very low	166 Å²	166	134 Å²	134	72%	0.722	66%	0.662	S	S	*	*	H	α-helix	trans	-82.2	-46.2	166.2	-87.4	-173.3	169.1	-175	0	111.3	K305 K306 E307 K312	K305-K309 PolarHBondContact O-N 3.16Å; K305-K309 VanDerWaalsContact O-N 3.07Å; K306-K309 WeakPolarHBondContact O-CB 3.21Å; K306-K309 PolarHBondContact O-N 2.63Å; E307-K309 PolarHBondContact O-N 3Å; K309-K312 PolarHBondContact O-N 2.82Å
310	N	31	Very low	33.6	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	67%	0.673	S	S	*	*	H	α-helix	trans	-69.2	-36.3	-176.3	-69.2	13.2	0	0	0	112.5	K306 E307 K312 Q313	K306-N310 PolarHBondContact O-N 2.72Å; E307-N310 PolarHBondContact O-N 3.45Å; N310-K312 PolarHBondContact O-N 3.19Å; N310-Q313 PolarHBondContact O-N 3.22Å
311	K	32.3	Very low	33.1	Very low	159 Å²	159	141 Å²	141	69%	0.691	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	26.8	174.3	-73.6	172	174.4	151.2	0	114.5	E307	E307-K311 PolarHBondContact O-N 2.98Å; E307-K311 IonicContact OE1-NZ 2.73Å; E307-K311 PolarHBondContact OE1-NZ 2.86Å
312	K	36.5	Very low	32.6	Very low	183 Å²	183	145.3 Å²	145.3	80%	0.796	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	2.6	170.1	-88.5	-168.2	170.6	-170.8	0	114.4	K309 N310	K309-K312 PolarHBondContact O-N 2.82Å; N310-K312 PolarHBondContact O-N 3.19Å
313	Q	34.3	Very low	31.9	Very low	171 Å²	171	145.9 Å²	145.9	80%	0.799	73%	0.728	S	S	*	*	S	Bend	trans	-129.3	65.8	168.9	-73.3	-175	-61.3	0	0	110.3	N310	N310-Q313 PolarHBondContact O-N 3.22Å
314	D	27.1	Very low	31.5	Very low	168 Å²	168	149.8 Å²	149.8	90%	0.898	74%	0.743	S	S	*	*	S	Bend	trans	-178.6	155.7	141.1	-95.1	-25.2	0	0	0	110
315	G	26.5	Very low	30.7	Very low	81 Å²	81	148.1 Å²	148.1	84%	0.835	75%	0.754	S	S	*	*			trans	98.6	75.2	174.3	0	0	0	0	0	115.8
316	A	30.3	Very low	29.9	Very low	90 Å²	90	150.1 Å²	150.1	74%	0.744	77%	0.766	S	S	*	*			trans	-112.5	151.6	151.8	0	0	0	0	0	108.4
317	I	28.4	Very low	29.1	Very low	161 Å²	161	150.7 Å²	150.7	83%	0.826	78%	0.776	S	S	*	*			trans	74.4	129.9	-167.5	-45.6	163.7	0	0	0	109
318	E	25.9	Very low	28.5	Very low	173 Å²	173	149.4 Å²	149.4	81%	0.808	79%	0.789	S	S	*	*			cis	-142.7	-177.9	29.8	-152	159	-163.8	0	0	116.4
319	N	25.4	Very low	27.8	Very low	107 Å²	107	146.2 Å²	146.2	57%	0.572	80%	0.795	S	S	*	*			trans	-46.4	143	-170.3	-79.5	-73.4	0	0	0	122.4
320	R	27.1	Very low	27.2	Very low	208 Å²	208	143.3 Å²	143.3	79%	0.785	80%	0.801	S	S	*	*				35.5	128.6	126.3	-55.6	170.1	169.5	156.2	-6.4	120.2
321	N	25.9	Very low	26.9	Very low	166 Å²	166	145.5 Å²	145.5	89%	0.888	81%	0.809	S	S	*	*				-169.7	179	93.7	-106	-35	0	0	0	114.8
322	K	26.1	Very low	26.5	Very low	200 Å²	200	147.1 Å²	147.1	87%	0.87	82%	0.82	S	S	*	*			trans	-103.9	154.9	-175.3	-86.1	-177.5	173	178.6	0	114
323	A	24.2	Very low	26	Very low	93 Å²	93	147 Å²	147	77%	0.769	82%	0.824	S	S	*	*			trans	87.5	121.4	142.9	0	0	0	0	0	121.8
324	K	26.1	Very low	25.4	Very low	210 Å²	210	147.4 Å²	147.4	91%	0.913	83%	0.826	S	S	*	*			trans	35.7	118.6	138.8	-63.8	-173.5	174.8	-170.9	0	120.4
325	A	23.8	Very low	25.3	Very low	102 Å²	102	145.6 Å²	145.6	84%	0.843	82%	0.823	S	S	*	*				-165.7	172.1	112.1	0	0	0	0	0	111.2
326	Q	23.9	Very low	25.2	Very low	176 Å²	176	150 Å²	150	82%	0.822	83%	0.827	S	S	*	*			trans	-73.8	173.5	165.2	-67.5	156.1	-104.9	0	0	109.7
327	D	22.7	Very low	25	Very low	153 Å²	153	154 Å²	154	82%	0.818	83%	0.827	S	S	*	*			cis	-156.9	176.6	20.4	-147.3	-24.1	0	0	0	111.7
328	G	24	Very low	24.9	Very low	74 Å²	74	152.2 Å²	152.2	76%	0.763	83%	0.829	S	S	*	*			trans	128.6	105.9	165.3	0	0	0	0	0	114.6
329	A	25	Very low	24.9	Very low	101 Å²	101	151.7 Å²	151.7	84%	0.835	83%	0.827	S	S	*	*			trans	-110.2	151.5	-179.9	0	0	0	0	0	113
330	A	24.2	Very low	25	Very low	104 Å²	104	156.1 Å²	156.1	86%	0.86	84%	0.844	S	S	*	*			trans	-144	135.1	159.8	0	0	0	0	0	108.4
331	M	25.4	Very low	24.9	Very low	175 Å²	175	150.4 Å²	150.4	86%	0.862	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-100.5	139.2	-178.2	-71.4	160.7	53.3	0	0	110.8
332	E	24.9	Very low	24.7	Very low	194 Å²	194	146.4 Å²	146.4	91%	0.907	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-83.1	141.7	155.1	-68.4	-177	131.6	0	0	109.1
333	M	25.2	Very low	24.6	Very low	181 Å²	181	145.5 Å²	145.5	89%	0.892	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-91.8	140.3	-176.4	-70.2	-178.6	176.2	0	0	112
334	Q	22	Very low	24.6	Very low	178 Å²	178	144.5 Å²	144.5	83%	0.832	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-87.6	151	164.6	-66.7	177.9	-13	0	0	110
335	P	25	Very low	24.7	Very low	130 Å²	130	142.6 Å²	142.6	84%	0.844	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-61.7	136.3	170.4	-20.4	32.9	0	0	0	111.2
336	L	24.8	Very low	24.9	Very low	175 Å²	175	146.9 Å²	146.9	92%	0.916	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-69.4	132.4	-178.5	-75.7	155.2	0	0	0	111.8
337	K	25.2	Very low	25.2	Very low	172 Å²	172	147.9 Å²	147.9	75%	0.748	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-90.7	140.6	151.9	-77.9	-174.3	170.2	-168.7	0	109.2
338	S	26.8	Very low	25.5	Very low	125 Å²	125	145.8 Å²	145.8	87%	0.874	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-87.5	125.8	158.4	52	0	0	0	0	109.6
339	E	26.3	Very low	25.6	Very low	161 Å²	161	152.6 Å²	152.6	75%	0.752	85%	0.852	S	S	*	*			trans	-127.3	130.3	169.4	-73.4	-177.1	175.8	0	0	109.4
340	E	26.4	Very low	25.7	Very low	201 Å²	201	156.1 Å²	156.1	94%	0.939	85%	0.849	S	S	*	*			trans	-148.3	100.9	156.3	-121.5	-178.1	-170	0	0	110.4
341	G	24.4	Very low	25.8	Very low	88 Å²	88	160.2 Å²	160.2	91%	0.907	85%	0.848	S	S	*	*			trans	71.2	111.4	151.4	0	0	0	0	0	121.2
342	G	22.7	Very low	25.8	Very low	82 Å²	82	156.7 Å²	156.7	85%	0.845	85%	0.846	S	S	*	*			trans	158.6	116.9	155.4	0	0	0	0	0	115.5
343	D	24.3	Very low	25.7	Very low	181 Å²	181	154.4 Å²	154.4	97%	0.968	84%	0.84	S	S	*	*			trans	-67	147.8	174	-88.4	-50.7	0	0	0	113.4
344	G	24.1	Very low	25.7	Very low	71 Å²	71	153.1 Å²	153.1	73%	0.732	84%	0.836	S	S	*	*			trans	160.5	114.8	162.6	0	0	0	0	0	117.4
345	D	27.3	Very low	25.9	Very low	170 Å²	170	150.6 Å²	150.6	91%	0.909	84%	0.835	S	S	*	*			trans	45.9	125.7	156.8	-71	-10.8	0	0	0	122.8
346	E	29.2	Very low	26	Very low	192 Å²	192	153.4 Å²	153.4	90%	0.897	83%	0.834	S	S	*	*			trans	-75.7	121.9	161.7	-71.8	-165.7	112	0	0	112.4
347	K	30.1	Very low	26.5	Very low	198 Å²	198	154.7 Å²	154.7	86%	0.861	83%	0.832	S	S	*	*			trans	-158.5	162.2	156.4	-113.5	155.9	-170.7	169.5	0	113.9
348	D	27.4	Very low	27.5	Very low	109 Å²	109	155 Å²	155	58%	0.583	84%	0.836	S	S	*	*			trans	53.3	66.5	164.4	-81.9	29	0	0	0	119.9	K350	D348-K350 PolarHBondContact O-N 3.45Å; D348-K350 VanDerWaalsContact O-N 3.1Å; D348-K350 WeakPolarHBondContact OD2-CE 3.49Å; D348-K350 IonicContact OD2-NZ 3.82Å; D348-K350 PolarHBondContact OD2-NZ 3.45Å
349	K	26.8	Very low	28.8	Very low	216 Å²	216	156.4 Å²	156.4	94%	0.939	83%	0.827	S	S	*	*			trans	-79.3	69.7	149.2	-81.8	-178.1	178.9	165.4	0	111.7	K351	K349-K351 PolarHBondContact O-N 2.92Å; K349-K351 VanDerWaalsContact O-N 3.11Å
350	K	27.4	Very low	30.8	Very low	175 Å²	175	149.1 Å²	149.1	76%	0.761	79%	0.793	S	S	*	*			trans	-64.7	107.2	166.6	-82.3	172.9	174.7	132	0	109.4	D348 A352	D348-K350 PolarHBondContact O-N 3.45Å; D348-K350 VanDerWaalsContact O-N 3.1Å; D348-K350 WeakPolarHBondContact OD2-CE 3.49Å; D348-K350 IonicContact OD2-NZ 3.82Å; D348-K350 PolarHBondContact OD2-NZ 3.45Å; K350-A352 PolarHBondContact O-N 2.86Å
351	K	26.4	Very low	33	Very low	191 Å²	191	141.3 Å²	141.3	83%	0.83	76%	0.759	S	S	*	*			trans	-61.2	129.5	167.2	-72.2	-178.3	177.4	178.2	0	108.7	K349 N353	K349-K351 PolarHBondContact O-N 2.92Å; K349-K351 VanDerWaalsContact O-N 3.11Å; K351-N353 PolarHBondContact O-N 3.26Å
352	A	24.4	Very low	35.4	Very low	101 Å²	101	137.2 Å²	137.2	84%	0.835	72%	0.717	S	S	*	*			trans	-62.5	104.5	171.7	0	0	0	0	0	109.5	K350 L354	K350-A352 PolarHBondContact O-N 2.86Å; A352-L354 PolarHBondContact O-N 2.77Å
353	N	24	Very low	37.8	Very low	146 Å²	146	136.3 Å²	136.3	78%	0.781	69%	0.69	S	S	*	*			trans	-70.9	117.8	168.9	-82.8	-40.1	0	0	0	107.9	K351	K351-N353 PolarHBondContact O-N 3.26Å
354	L	25.1	Very low	40.2	Very low	153 Å²	153	129.5 Å²	129.5	80%	0.801	66%	0.663	S	S	*	*			trans	-52.9	138.8	160.4	-77.1	123.2	0	0	0	108.8	A352 K356	A352-L354 PolarHBondContact O-N 2.77Å; L354-K356 PolarHBondContact O-N 3.36Å
355	P	26.1	Very low	42.8	Very low	125 Å²	125	126.7 Å²	126.7	81%	0.812	63%	0.631	S	S	*	*			trans	-60	115.4	179.8	24	-32.9	0	0	0	109.5	K357	P355-K357 PolarHBondContact O-N 2.86Å
356	K	26.8	Very low	45.3	Very low	189 Å²	189	118.7 Å²	118.7	82%	0.822	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-58.6	128.7	170.2	-69.3	177.3	180	173.4	0	107.1	L354 E358	L354-K356 PolarHBondContact O-N 3.36Å; K356-E358 PolarHBondContact O-N 2.83Å
357	K	36.3	Very low	47.5	Very low	203 Å²	203	112.7 Å²	112.7	88%	0.883	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-52.2	116.6	171.6	-73.3	-172.8	173.8	-174.1	0	108.7	P355	P355-K357 PolarHBondContact O-N 2.86Å
358	E	44.5	Very low	49.9	Very low	178 Å²	178	107.7 Å²	107.7	83%	0.832	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-63	142.4	175.1	-61.2	-159.3	154.2	0	0	109	K356	K356-E358 PolarHBondContact O-N 2.83Å
359	K	54.6	Low	52.4	Low	155 Å²	155	102.9 Å²	102.9	67%	0.674	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-86.8	142.8	176.4	-67.1	-175.7	177.7	-176.1	0	108.9
360	S	69.4	Low	54.9	Low	7 Å²	7	93.7 Å²	93.7	5%	0.049	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-61.1	152.6	-179.9	-159.9	0	0	0	0	112	L362 Q363 G364 E464	S360-L362 VanDerWaalsContact C-N 3.33Å; S360-L362 PolarHBondContact O-N 2.85Å; S360-Q363 WeakPolarHBondContact O-CB 3.45Å; S360-Q363 PolarHBondContact O-N 2.82Å; S360-G364 PolarHBondContact O-N 3.4Å; S360-E464 WeakPolarHBondContact CB-OE2 3.28Å; S360-E464 VanDerWaalsContact OG-CD 3.23Å; S360-E464 PolarHBondContact OG-OE2 3.11Å
361	V	71.9	Confident	57.3	Low	37 Å²	37	89.2 Å²	89.2	22%	0.224	47%	0.469	C	S	.	.	H	α-helix	trans	-59.2	-43.2	-171.9	-176	0	0	0	0	111.6	G364 K365 R919	V361-G364 PolarHBondContact O-N 3.09Å; V361-K365 PolarHBondContact O-N 2.87Å; V361-R919 VanDerWaalsContact CG2-NH2 3.33Å
362	L	75.1	Confident	60	Low	2 Å²	2	85.3 Å²	85.3	1%	0.01	45%	0.453	C	S	.	.	H	α-helix	trans	-69.2	-38.7	175.4	-173.2	54.7	0	0	0	112.3	S360 G364 K365 L366 E464 Y849 I852 L923	S360-L362 VanDerWaalsContact C-N 3.33Å; S360-L362 PolarHBondContact O-N 2.85Å; L362-G364 VanDerWaalsContact C-N 3.26Å; L362-G364 PolarHBondContact O-N 3.13Å; L362-K365 PolarHBondContact O-N 2.9Å; L362-L366 HydrophobicContact CD1-CD1 4.14Å; L362-L366 HydrophobicContact CD1-CG 4.15Å; L362-L366 HydrophobicContact CG-CD1 3.74Å; L362-L366 HydrophobicContact CG-CG 4.24Å; L362-L366 VanDerWaalsContact O-CB 3.28Å; L362-L366 WeakPolarHBondContact O-CB 3.39Å; L362-L366 VanDerWaalsContact O-CG 3.24Å; L362-L366 WeakPolarHBondContact O-CG 3.45Å; L362-L366 PolarHBondContact O-N 3.21Å; L362-E464 HydrophobicContact CB-CG 4.26Å; L362-E464 WeakPolarHBondContact CB-OE1 3.19Å; L362-E464 WeakPolarHBondContact CB-OE2 3.44Å; L362-E464 HydrophobicContact CD2-CG 4.48Å; L362-E464 PolarHBondContact N-OE1 2.86Å; L362-E464 PolarHBondContact N-OE2 3.03Å; L362-Y849 HydrophobicContact CD1-CD2 4.46Å; L362-Y849 HydrophobicContact CD1-CE2 4.22Å; L362-Y849 HydrophobicContact CD2-CD2 4.22Å; L362-I852 HydrophobicContact CD2-CB 4.3Å; L362-I852 HydrophobicContact CD2-CD1 3.46Å; L362-I852 VanDerWaalsContact CD2-CD1 3.46Å; L362-I852 HydrophobicContact CD2-CG1 4.48Å; L362-I852 HydrophobicContact CD2-CG2 4.12Å; L362-L923 HydrophobicContact CD1-CD1 3.54Å; L362-L923 HydrophobicContact CD1-CD2 3.69Å; L362-L923 HydrophobicContact CD1-CG 4.25Å
363	Q	72.9	Confident	62.8	Low	63 Å²	63	82.2 Å²	82.2	29%	0.294	42%	0.422	S	S	.	.	H	α-helix	trans	-59.2	-37.8	174.7	-69.6	179.8	-25.3	0	0	111.9	S360 T367 V439	S360-Q363 WeakPolarHBondContact O-CB 3.45Å; S360-Q363 PolarHBondContact O-N 2.82Å; Q363-T367 WeakPolarHBondContact O-CB 3.49Å; Q363-T367 PolarHBondContact O-N 2.56Å; Q363-T367 PolarHBondContact O-OG1 2.82Å; Q363-V439 HydrophobicContact CG-CG1 4.18Å
364	G	73.4	Confident	65.5	Low	38 Å²	38	76.2 Å²	76.2	39%	0.392	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-50	173.3	0	0	0	0	0	112.8	S360 V361 L362 L366 T367 K368	S360-G364 PolarHBondContact O-N 3.4Å; V361-G364 PolarHBondContact O-N 3.09Å; L362-G364 VanDerWaalsContact C-N 3.26Å; L362-G364 PolarHBondContact O-N 3.13Å; G364-L366 PolarHBondContact O-N 2.77Å; G364-T367 PolarHBondContact O-N 2.85Å; G364-K368 PolarHBondContact O-N 3.47Å
365	K	80.6	Confident	68.3	Low	12 Å²	12	76.3 Å²	76.3	5%	0.052	39%	0.389	C	S	.	.	H	α-helix	trans	-59.7	-44.3	176.5	-67.4	179.1	-174.4	179.5	0	112.3	V361 L362 K368 L369 R919 K921	V361-K365 PolarHBondContact O-N 2.87Å; L362-K365 PolarHBondContact O-N 2.9Å; K365-K368 PolarHBondContact O-N 2.77Å; K365-L369 WeakPolarHBondContact O-CB 3.46Å; K365-L369 PolarHBondContact O-N 2.92Å; K365-R919 VanDerWaalsContact CE-O 3.26Å; K365-R919 WeakPolarHBondContact CE-O 3.35Å; K365-R919 PolarHBondContact NZ-O 3.21Å; K365-K921 PolarHBondContact NZ-O 3.16Å
366	L	78.9	Confident	71.1	Confident	3 Å²	3	73 Å²	73	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-65.9	-43.9	-179.3	-77.5	171.1	0	0	0	112.3	L362 G364 K368 L369 A370 L435 V439 I852 L856 L923	L362-L366 HydrophobicContact CD1-CD1 4.14Å; L362-L366 HydrophobicContact CD1-CG 4.15Å; L362-L366 HydrophobicContact CG-CD1 3.74Å; L362-L366 HydrophobicContact CG-CG 4.24Å; L362-L366 VanDerWaalsContact O-CB 3.28Å; L362-L366 WeakPolarHBondContact O-CB 3.39Å; L362-L366 VanDerWaalsContact O-CG 3.24Å; L362-L366 WeakPolarHBondContact O-CG 3.45Å; L362-L366 PolarHBondContact O-N 3.21Å; G364-L366 PolarHBondContact O-N 2.77Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.28Å; L366-L369 PolarHBondContact O-N 3.38Å; L366-A370 WeakPolarHBondContact O-CB 3.43Å; L366-A370 PolarHBondContact O-N 3.48Å; L366-L435 HydrophobicContact CB-CD2 3.65Å; L366-L435 HydrophobicContact CD2-CD1 4.44Å; L366-L435 HydrophobicContact CD2-CD2 3.59Å; L366-L435 HydrophobicContact CD2-CG 3.99Å; L366-L435 HydrophobicContact CG-CD2 4.14Å; L366-V439 HydrophobicContact CD1-CG2 3.09Å; L366-I852 HydrophobicContact CD1-CG2 4.26Å; L366-L856 HydrophobicContact CD2-CD1 3.9Å; L366-L856 HydrophobicContact CD2-CD2 4.11Å; L366-L923 HydrophobicContact CD2-CD2 3.51Å; L366-L923 HydrophobicContact CG-CD2 3.9Å
367	T	76.4	Confident	74	Confident	66 Å²	66	64.2 Å²	64.2	41%	0.405	34%	0.335	S	S	.	.	H	α-helix	trans	-56.8	-46.6	173.9	-52	0	0	0	0	110.7	Q363 G364 L369 A370 V371	Q363-T367 WeakPolarHBondContact O-CB 3.49Å; Q363-T367 PolarHBondContact O-N 2.56Å; Q363-T367 PolarHBondContact O-OG1 2.82Å; G364-T367 PolarHBondContact O-N 2.85Å; T367-L369 PolarHBondContact O-N 3.2Å; T367-A370 PolarHBondContact O-N 3.39Å; T367-V371 WeakPolarHBondContact O-CG2 3.43Å; T367-V371 PolarHBondContact O-N 3.21Å
368	K	78.7	Confident	76.4	Confident	93 Å²	93	59.4 Å²	59.4	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-41.8	178.1	-174.5	176.3	-178.8	178.8	0	112.2	G364 K365 L366 Q372	G364-K368 PolarHBondContact O-N 3.47Å; K365-K368 PolarHBondContact O-N 2.77Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.28Å; K368-Q372 WeakPolarHBondContact O-CG 3.43Å; K368-Q372 PolarHBondContact O-N 2.74Å; K368-Q372 VanDerWaalsContact O-N 3.08Å
369	L	80	Confident	78.5	Confident	7 Å²	7	56 Å²	56	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-69.1	-42.2	179.7	-176.8	137.9	0	0	0	112.2	K365 L366 T367 Q372 I373 L435 I924	K365-L369 WeakPolarHBondContact O-CB 3.46Å; K365-L369 PolarHBondContact O-N 2.92Å; L366-L369 PolarHBondContact O-N 3.38Å; T367-L369 PolarHBondContact O-N 3.2Å; L369-Q372 PolarHBondContact O-N 3.29Å; L369-I373 HydrophobicContact CD2-CD1 3.54Å; L369-I373 HydrophobicContact CG-CD1 4.15Å; L369-I373 WeakPolarHBondContact O-CG1 3.16Å; L369-I373 PolarHBondContact O-N 3.3Å; L369-L435 HydrophobicContact CD2-CD1 3.68Å; L369-I924 HydrophobicContact CD1-CD1 3.93Å; L369-I924 HydrophobicContact CD1-CG1 4.25Å
370	A	79.1	Confident	80.1	Confident	24 Å²	24	51.3 Å²	51.3	20%	0.198	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-42.8	174	0	0	0	0	0	112.1	L366 T367 Q372 I373 G374 L435	L366-A370 WeakPolarHBondContact O-CB 3.43Å; L366-A370 PolarHBondContact O-N 3.48Å; T367-A370 PolarHBondContact O-N 3.39Å; A370-Q372 VanDerWaalsContact C-N 3.35Å; A370-Q372 PolarHBondContact O-N 3.23Å; A370-I373 PolarHBondContact O-N 3Å; A370-G374 PolarHBondContact O-N 2.99Å; A370-L435 HydrophobicContact CB-CD1 4.47Å; A370-L435 HydrophobicContact CB-CD2 4.1Å
371	V	78.8	Confident	81	Confident	81 Å²	81	51.5 Å²	51.5	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-38.1	175.3	170.3	0	0	0	0	112	T367 K375	T367-V371 WeakPolarHBondContact O-CG2 3.43Å; T367-V371 PolarHBondContact O-N 3.21Å; V371-K375 WeakPolarHBondContact O-CG 3.41Å; V371-K375 PolarHBondContact O-N 2.86Å; V371-K375 VanDerWaalsContact O-N 3.09Å
372	Q	82.1	Confident	81.9	Confident	109 Å²	109	51.8 Å²	51.8	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-43.4	174.8	-75.9	179.4	-30	0	0	112	K368 L369 A370 A376	K368-Q372 WeakPolarHBondContact O-CG 3.43Å; K368-Q372 PolarHBondContact O-N 2.74Å; K368-Q372 VanDerWaalsContact O-N 3.08Å; L369-Q372 PolarHBondContact O-N 3.29Å; A370-Q372 VanDerWaalsContact C-N 3.35Å; A370-Q372 PolarHBondContact O-N 3.23Å; Q372-A376 PolarHBondContact O-N 2.87Å
373	I	83.3	Confident	82.6	Confident	36 Å²	36	54.7 Å²	54.7	19%	0.185	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-44.9	177.1	-67.2	167	0	0	0	110.9	L369 A370 K375 A376 G377 A430 P432 L860	L369-I373 HydrophobicContact CD2-CD1 3.54Å; L369-I373 HydrophobicContact CG-CD1 4.15Å; L369-I373 WeakPolarHBondContact O-CG1 3.16Å; L369-I373 PolarHBondContact O-N 3.3Å; A370-I373 PolarHBondContact O-N 3Å; I373-K375 VanDerWaalsContact C-N 3.35Å; I373-K375 PolarHBondContact O-N 2.99Å; I373-A376 PolarHBondContact O-N 3.05Å; I373-A376 VanDerWaalsContact O-N 3.08Å; I373-G377 PolarHBondContact O-N 3.37Å; I373-A430 WeakPolarHBondContact CG2-O 3.43Å; I373-P432 HydrophobicContact CD1-CG 4.34Å; I373-P432 HydrophobicContact CG2-CG 4.28Å; I373-L860 HydrophobicContact CD1-CD2 3.49Å; I373-L860 VanDerWaalsContact CD1-CD2 3.49Å
374	G	80.8	Confident	83.4	Confident	19 Å²	19	51.8 Å²	51.8	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-39.9	178.3	0	0	0	0	0	113.2	A370 A376 G377 L378	A370-G374 PolarHBondContact O-N 2.99Å; G374-A376 PolarHBondContact O-N 2.63Å; G374-G377 PolarHBondContact O-N 2.96Å; G374-L378 WeakPolarHBondContact O-CB 3.35Å; G374-L378 PolarHBondContact O-N 3.37Å
375	K	83.9	Confident	84.2	Confident	156 Å²	156	51.4 Å²	51.4	68%	0.678	29%	0.285	S	S	*	.	H	α-helix	trans	-62.5	-40.2	172.4	-74.9	-174.2	177.6	-167.9	0	112.5	V371 I373 L379	V371-K375 WeakPolarHBondContact O-CG 3.41Å; V371-K375 PolarHBondContact O-N 2.86Å; V371-K375 VanDerWaalsContact O-N 3.09Å; I373-K375 VanDerWaalsContact C-N 3.35Å; I373-K375 PolarHBondContact O-N 2.99Å; K375-L379 PolarHBondContact O-N 3.11Å
376	A	86	Confident	84.7	Confident	55 Å²	55	55.5 Å²	55.5	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-70.1	-41.1	176.7	0	0	0	0	0	112.4	Q372 I373 G374 L379 M380	Q372-A376 PolarHBondContact O-N 2.87Å; I373-A376 PolarHBondContact O-N 3.05Å; I373-A376 VanDerWaalsContact O-N 3.08Å; G374-A376 PolarHBondContact O-N 2.63Å; A376-L379 PolarHBondContact O-N 2.98Å; A376-M380 WeakPolarHBondContact O-CG 3.38Å; A376-M380 PolarHBondContact O-N 2.92Å
377	G	86.4	Confident	85.2	Confident	4 Å²	4	58 Å²	58	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-62.8	-44.6	176.6	0	0	0	0	0	112.9	I373 G374 L379 M380 S381 A430	I373-G377 PolarHBondContact O-N 3.37Å; G374-G377 PolarHBondContact O-N 2.96Å; G377-L379 VanDerWaalsContact C-N 3.34Å; G377-L379 PolarHBondContact O-N 3.16Å; G377-M380 PolarHBondContact O-N 3.28Å; G377-S381 VanDerWaalsContact O-CB 3.26Å; G377-S381 WeakPolarHBondContact O-CB 3.4Å; G377-S381 PolarHBondContact O-N 2.61Å; G377-A430 VanDerWaalsContact CA-CB 3.47Å
378	L	86.5	Confident	85.8	Confident	102 Å²	102	55 Å²	55	53%	0.534	30%	0.301	S	S	.	.	H	α-helix	trans	-60.6	-42.1	174.5	-176.3	63.6	0	0	0	112.2	G374 A382 L427	G374-L378 WeakPolarHBondContact O-CB 3.35Å; G374-L378 PolarHBondContact O-N 3.37Å; L378-A382 WeakPolarHBondContact O-CB 3.46Å; L378-A382 PolarHBondContact O-N 2.69Å; L378-L427 HydrophobicContact CB-CD1 4.2Å; L378-L427 HydrophobicContact CD1-CD1 4.31Å; L378-L427 HydrophobicContact CD1-CD2 4.34Å
379	L	90.1	Very high	86.4	Confident	107 Å²	107	52.6 Å²	52.6	56%	0.56	29%	0.294	S	S	*	.	H	α-helix	trans	-64.5	-46.8	176.2	-177.9	62.4	0	0	0	111.8	K375 A376 G377 A382 I383	K375-L379 PolarHBondContact O-N 3.11Å; A376-L379 PolarHBondContact O-N 2.98Å; G377-L379 VanDerWaalsContact C-N 3.34Å; G377-L379 PolarHBondContact O-N 3.16Å; L379-A382 PolarHBondContact O-N 2.81Å; L379-I383 HydrophobicContact CD1-CD1 3.96Å; L379-I383 HydrophobicContact CD1-CG1 4.36Å; L379-I383 HydrophobicContact CG-CD1 3.87Å; L379-I383 WeakPolarHBondContact O-CB 3.31Å; L379-I383 VanDerWaalsContact O-CG1 3.24Å; L379-I383 WeakPolarHBondContact O-CG1 3.3Å; L379-I383 PolarHBondContact O-N 2.85Å
380	M	87.8	Confident	86.8	Confident	56 Å²	56	56.6 Å²	56.6	28%	0.276	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-41.5	177.8	-72.6	-59	-58.7	0	0	112.4	A376 G377 I383 T384 V867 F871	A376-M380 WeakPolarHBondContact O-CG 3.38Å; A376-M380 PolarHBondContact O-N 2.92Å; G377-M380 PolarHBondContact O-N 3.28Å; M380-I383 PolarHBondContact O-N 2.73Å; M380-T384 WeakPolarHBondContact O-CB 3.33Å; M380-T384 PolarHBondContact O-N 3.11Å; M380-T384 PolarHBondContact O-OG1 3.21Å; M380-V867 HydrophobicContact CB-CG1 4.22Å; M380-V867 HydrophobicContact CG-CG1 4.33Å; M380-F871 HydrophobicContact CE-CB 4.04Å; M380-F871 HydrophobicContact CE-CD1 3.97Å; M380-F871 HydrophobicContact CE-CD2 3.54Å; M380-F871 HydrophobicContact CE-CE1 4.33Å; M380-F871 HydrophobicContact CE-CE2 3.93Å; M380-F871 HydrophobicContact CE-CG 3.56Å; M380-F871 HydrophobicContact CE-CZ 4.31Å
381	S	88.3	Confident	87.2	Confident	11 Å²	11	60.9 Å²	60.9	8%	0.077	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-52.7	173.5	170.7	0	0	0	0	111.1	G377 I383 T384 V385 G423	G377-S381 VanDerWaalsContact O-CB 3.26Å; G377-S381 WeakPolarHBondContact O-CB 3.4Å; G377-S381 PolarHBondContact O-N 2.61Å; S381-I383 PolarHBondContact O-N 2.78Å; S381-T384 WeakPolarHBondContact O-CB 3.3Å; S381-T384 PolarHBondContact O-N 2.83Å; S381-T384 VanDerWaalsContact O-N 3.13Å; S381-V385 PolarHBondContact O-N 2.67Å; S381-G423 WeakPolarHBondContact CB-O 3.16Å; S381-G423 VanDerWaalsContact OG-C 3.31Å; S381-G423 PolarHBondContact OG-O 3.44Å
382	A	90.2	Very high	87.5	Confident	44 Å²	44	57.8 Å²	57.8	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-44	179.1	0	0	0	0	0	112.7	L378 L379 T384 V385 I386	L378-A382 WeakPolarHBondContact O-CB 3.46Å; L378-A382 PolarHBondContact O-N 2.69Å; L379-A382 PolarHBondContact O-N 2.81Å; A382-T384 VanDerWaalsContact C-N 3.32Å; A382-T384 PolarHBondContact O-N 2.79Å; A382-V385 PolarHBondContact O-N 3.03Å; A382-I386 WeakPolarHBondContact O-CB 3.5Å; A382-I386 WeakPolarHBondContact O-CD1 3.38Å; A382-I386 VanDerWaalsContact O-CG1 3.24Å; A382-I386 WeakPolarHBondContact O-CG1 3.38Å; A382-I386 PolarHBondContact O-N 3.39Å
383	I	90.8	Very high	87.8	Confident	63 Å²	63	55 Å²	55	32%	0.323	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-41.3	175.6	-67.4	166.9	0	0	0	110.7	L379 M380 S381 I386 I387 F871	L379-I383 HydrophobicContact CD1-CD1 3.96Å; L379-I383 HydrophobicContact CD1-CG1 4.36Å; L379-I383 HydrophobicContact CG-CD1 3.87Å; L379-I383 WeakPolarHBondContact O-CB 3.31Å; L379-I383 VanDerWaalsContact O-CG1 3.24Å; L379-I383 WeakPolarHBondContact O-CG1 3.3Å; L379-I383 PolarHBondContact O-N 2.85Å; M380-I383 PolarHBondContact O-N 2.73Å; S381-I383 PolarHBondContact O-N 2.78Å; I383-I386 PolarHBondContact O-N 3.27Å; I383-I387 HydrophobicContact CG2-CD1 3.69Å; I383-I387 HydrophobicContact CG2-CG1 4.3Å; I383-I387 WeakPolarHBondContact O-CG1 3.38Å; I383-I387 PolarHBondContact O-N 3.46Å; I383-F871 HydrophobicContact CG2-CE2 4.01Å
384	T	88.9	Confident	88	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-46.6	178.6	-52.6	0	0	0	0	111.4	M380 S381 A382 I387 L388 I422 A874	M380-T384 WeakPolarHBondContact O-CB 3.33Å; M380-T384 PolarHBondContact O-N 3.11Å; M380-T384 PolarHBondContact O-OG1 3.21Å; S381-T384 WeakPolarHBondContact O-CB 3.3Å; S381-T384 PolarHBondContact O-N 2.83Å; S381-T384 VanDerWaalsContact O-N 3.13Å; A382-T384 VanDerWaalsContact C-N 3.32Å; A382-T384 PolarHBondContact O-N 2.79Å; T384-I387 PolarHBondContact O-N 3.06Å; T384-L388 HydrophobicContact CG2-CD1 4.13Å; T384-L388 WeakPolarHBondContact O-CG 3.36Å; T384-L388 PolarHBondContact O-N 3.17Å; T384-I422 HydrophobicContact CG2-CG2 4.42Å; T384-A874 HydrophobicContact CG2-CB 3.66Å
385	V	90.8	Very high	88.1	Confident	31 Å²	31	58.9 Å²	58.9	19%	0.188	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-45.3	176.5	178.3	0	0	0	0	111.1	S381 A382 I387 L388 V389	S381-V385 PolarHBondContact O-N 2.67Å; A382-V385 PolarHBondContact O-N 3.03Å; V385-I387 PolarHBondContact O-N 3.43Å; V385-L388 PolarHBondContact O-N 3.28Å; V385-V389 HydrophobicContact CG1-CG2 4.25Å; V385-V389 VanDerWaalsContact O-CB 3.31Å; V385-V389 WeakPolarHBondContact O-CB 3.28Å; V385-V389 VanDerWaalsContact O-CG2 3.27Å; V385-V389 WeakPolarHBondContact O-CG2 3.43Å; V385-V389 PolarHBondContact O-N 2.7Å
386	I	91.4	Very high	88.1	Confident	98 Å²	98	52.1 Å²	52.1	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-43.3	179.3	-70.4	164.8	0	0	0	111.2	A382 I383 L390	A382-I386 WeakPolarHBondContact O-CB 3.5Å; A382-I386 WeakPolarHBondContact O-CD1 3.38Å; A382-I386 VanDerWaalsContact O-CG1 3.24Å; A382-I386 WeakPolarHBondContact O-CG1 3.38Å; A382-I386 PolarHBondContact O-N 3.39Å; I383-I386 PolarHBondContact O-N 3.27Å; I386-L390 HydrophobicContact CG2-CD1 3.72Å; I386-L390 HydrophobicContact CG2-CG 4.35Å; I386-L390 WeakPolarHBondContact O-CB 3.26Å; I386-L390 VanDerWaalsContact O-CG 3.27Å; I386-L390 WeakPolarHBondContact O-CG 3.42Å; I386-L390 PolarHBondContact O-N 2.82Å
387	I	89.8	Confident	88.1	Confident	54 Å²	54	51.5 Å²	51.5	28%	0.277	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-48.4	178.1	-70	171	0	0	0	111	I383 T384 V385 V389 L390 Y391 F871	I383-I387 HydrophobicContact CG2-CD1 3.69Å; I383-I387 HydrophobicContact CG2-CG1 4.3Å; I383-I387 WeakPolarHBondContact O-CG1 3.38Å; I383-I387 PolarHBondContact O-N 3.46Å; T384-I387 PolarHBondContact O-N 3.06Å; V385-I387 PolarHBondContact O-N 3.43Å; I387-V389 PolarHBondContact O-N 2.63Å; I387-L390 PolarHBondContact O-N 3.35Å; I387-Y391 VanDerWaalsContact O-CB 3.25Å; I387-Y391 WeakPolarHBondContact O-CB 3.2Å; I387-Y391 PolarHBondContact O-N 3.15Å; I387-F871 HydrophobicContact CD1-CE2 3.94Å; I387-F871 HydrophobicContact CD1-CZ 4.27Å
388	L	88.4	Confident	88.1	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-46.7	178.3	-75	169.1	0	0	0	111.9	T384 V385 F392 F419 I422 A874 Q878	T384-L388 HydrophobicContact CG2-CD1 4.13Å; T384-L388 WeakPolarHBondContact O-CG 3.36Å; T384-L388 PolarHBondContact O-N 3.17Å; V385-L388 PolarHBondContact O-N 3.28Å; L388-F392 WeakPolarHBondContact O-CB 3.49Å; L388-F392 PolarHBondContact O-N 2.71Å; L388-F419 HydrophobicContact CB-CB 4.01Å; L388-F419 HydrophobicContact CB-CD1 3.77Å; L388-F419 HydrophobicContact CB-CD2 4.3Å; L388-F419 HydrophobicContact CB-CE1 4.3Å; L388-F419 HydrophobicContact CB-CG 3.77Å; L388-F419 HydrophobicContact CD1-CB 4.16Å; L388-F419 HydrophobicContact CD1-CD1 3.96Å; L388-F419 HydrophobicContact CD1-CG 4.35Å; L388-F419 HydrophobicContact CD2-CD1 4.07Å; L388-F419 HydrophobicContact CD2-CE1 4.19Å; L388-F419 HydrophobicContact CG-CD1 4.16Å; L388-I422 HydrophobicContact CD1-CB 4.27Å; L388-I422 HydrophobicContact CD1-CD1 4.25Å; L388-I422 HydrophobicContact CD1-CG2 3.99Å; L388-A874 HydrophobicContact CD1-CB 4.09Å; L388-A874 HydrophobicContact CD2-CB 3.99Å; L388-A874 WeakPolarHBondContact CD2-O 3.43Å; L388-A874 HydrophobicContact CG-CB 4.14Å; L388-Q878 WeakPolarHBondContact CD2-O 3.34Å
389	V	90.3	Very high	88	Confident	42 Å²	42	60.7 Å²	60.7	26%	0.255	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-50.7	177	161.8	0	0	0	0	111.7	V385 I387 V393 F416 F419	V385-V389 HydrophobicContact CG1-CG2 4.25Å; V385-V389 VanDerWaalsContact O-CB 3.31Å; V385-V389 WeakPolarHBondContact O-CB 3.28Å; V385-V389 VanDerWaalsContact O-CG2 3.27Å; V385-V389 WeakPolarHBondContact O-CG2 3.43Å; V385-V389 PolarHBondContact O-N 2.7Å; I387-V389 PolarHBondContact O-N 2.63Å; V389-V393 WeakPolarHBondContact O-CB 3.25Å; V389-V393 VanDerWaalsContact O-CG2 3.27Å; V389-V393 WeakPolarHBondContact O-CG2 3.23Å; V389-V393 PolarHBondContact O-N 2.62Å; V389-F416 HydrophobicContact CG1-CE1 4.1Å; V389-F416 HydrophobicContact CG2-CD1 3.98Å; V389-F416 HydrophobicContact CG2-CE1 4.12Å; V389-F419 HydrophobicContact CG2-CD2 4.36Å
390	L	89.7	Confident	87.6	Confident	92 Å²	92	59.8 Å²	59.8	48%	0.482	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-42.3	-179.1	-73.3	173.1	0	0	0	111.7	I386 I387 V393 I394	I386-L390 HydrophobicContact CG2-CD1 3.72Å; I386-L390 HydrophobicContact CG2-CG 4.35Å; I386-L390 WeakPolarHBondContact O-CB 3.26Å; I386-L390 VanDerWaalsContact O-CG 3.27Å; I386-L390 WeakPolarHBondContact O-CG 3.42Å; I386-L390 PolarHBondContact O-N 2.82Å; I387-L390 PolarHBondContact O-N 3.35Å; L390-V393 PolarHBondContact O-N 2.95Å; L390-I394 VanDerWaalsContact O-CB 3.28Å; L390-I394 WeakPolarHBondContact O-CB 3.41Å; L390-I394 WeakPolarHBondContact O-CD1 3.47Å; L390-I394 WeakPolarHBondContact O-CG1 3.34Å; L390-I394 PolarHBondContact O-N 2.95Å
391	Y	86.6	Confident	87.3	Confident	114 Å²	114	65 Å²	65	45%	0.447	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-50.5	178.2	-168.6	-72.4	0	0	0	110.9	I387 V393 I394 D395 Q878	I387-Y391 VanDerWaalsContact O-CB 3.25Å; I387-Y391 WeakPolarHBondContact O-CB 3.2Å; I387-Y391 PolarHBondContact O-N 3.15Å; Y391-V393 PolarHBondContact O-N 3.12Å; Y391-I394 PolarHBondContact O-N 3.38Å; Y391-D395 HydrophobicContact CE1-CB 4.49Å; Y391-D395 WeakPolarHBondContact O-CB 3.47Å; Y391-D395 PolarHBondContact O-N 3Å; Y391-Q878 HydrophobicContact CD1-CG 3.87Å; Y391-Q878 HydrophobicContact CE1-CG 3.7Å
392	F	85.5	Confident	86.8	Confident	15 Å²	15	68.1 Å²	68.1	7%	0.066	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-44.9	179.1	176.9	-104.3	0	0	0	112.7	L388 T396 Y412 Y415 F416 F419	L388-F392 WeakPolarHBondContact O-CB 3.49Å; L388-F392 PolarHBondContact O-N 2.71Å; F392-T396 WeakPolarHBondContact O-CB 3.19Å; F392-T396 PolarHBondContact O-N 3Å; F392-T396 PolarHBondContact O-OG1 2.87Å; F392-Y412 HydrophobicContact CZ-CD1 4.06Å; F392-Y415 HydrophobicContact CE2-CD1 4.28Å; F392-Y415 HydrophobicContact CE2-CD2 4.12Å; F392-Y415 AromaticContact CE2-CG 3.96Å; F392-Y415 HydrophobicContact CE2-CG 3.96Å; F392-Y415 HydrophobicContact CZ-CD2 4.03Å; F392-Y415 HydrophobicContact CZ-CG 4.03Å; F392-F416 HydrophobicContact CD1-CZ 4.42Å; F392-F419 HydrophobicContact CB-CE2 3.56Å; F392-F419 HydrophobicContact CB-CZ 3.77Å; F392-F419 HydrophobicContact CD1-CE2 4.02Å; F392-F419 HydrophobicContact CD2-CE2 4.22Å; F392-F419 HydrophobicContact CD2-CZ 4.05Å; F392-F419 AromaticContact CG-CE2 3.67Å; F392-F419 HydrophobicContact CG-CE2 3.67Å; F392-F419 AromaticContact CG-CZ 3.92Å; F392-F419 HydrophobicContact CG-CZ 3.92Å
393	V	88	Confident	86.1	Confident	52 Å²	52	70.2 Å²	70.2	32%	0.315	34%	0.343	S	S	.	.	H	α-helix	trans	-67.2	-43.9	-179.9	167.6	0	0	0	0	111.7	V389 L390 Y391 F397 F416	V389-V393 WeakPolarHBondContact O-CB 3.25Å; V389-V393 VanDerWaalsContact O-CG2 3.27Å; V389-V393 WeakPolarHBondContact O-CG2 3.23Å; V389-V393 PolarHBondContact O-N 2.62Å; L390-V393 PolarHBondContact O-N 2.95Å; Y391-V393 PolarHBondContact O-N 3.12Å; V393-F397 HydrophobicContact CB-CD2 4.4Å; V393-F397 HydrophobicContact CG1-CD2 4.18Å; V393-F397 HydrophobicContact CG2-CD2 4.5Å; V393-F397 WeakPolarHBondContact O-CB 3.48Å; V393-F397 PolarHBondContact O-N 2.74Å; V393-F416 HydrophobicContact CG2-CE1 4.24Å; V393-F416 HydrophobicContact CG2-CZ 3.95Å
394	I	87.8	Confident	85.5	Confident	89 Å²	89	74.1 Å²	74.1	46%	0.456	35%	0.353	S	S	.	.	I	π-helix	trans	-66.6	-48.3	178.9	-69.4	167.5	0	0	0	110.2	L390 Y391 W398 V399	L390-I394 VanDerWaalsContact O-CB 3.28Å; L390-I394 WeakPolarHBondContact O-CB 3.41Å; L390-I394 WeakPolarHBondContact O-CD1 3.47Å; L390-I394 WeakPolarHBondContact O-CG1 3.34Å; L390-I394 PolarHBondContact O-N 2.95Å; Y391-I394 PolarHBondContact O-N 3.38Å; I394-W398 CarbonylContact O-C 3.59Å; I394-W398 WeakPolarHBondContact O-CA 3.46Å; I394-W398 WeakPolarHBondContact O-CB 3.47Å; I394-W398 PolarHBondContact O-N 3.28Å; I394-V399 HydrophobicContact CG2-CG2 4.2Å; I394-V399 PolarHBondContact O-N 3.32Å
395	D	84.1	Confident	85	Confident	47 Å²	47	76.4 Å²	76.4	25%	0.251	37%	0.365	S	S	.	.	I	π-helix	trans	-65.1	-49.9	-178	-167.7	67.6	0	0	0	111.6	Y391 V399 Q400	Y391-D395 HydrophobicContact CE1-CB 4.49Å; Y391-D395 WeakPolarHBondContact O-CB 3.47Å; Y391-D395 PolarHBondContact O-N 3Å; D395-V399 PolarHBondContact O-N 3.33Å; D395-Q400 WeakPolarHBondContact O-CB 3.34Å; D395-Q400 WeakPolarHBondContact O-CG 3.04Å; D395-Q400 PolarHBondContact O-N 2.71Å; D395-Q400 PolarHBondContact OD2-NE2 3.48Å
396	T	83.8	Confident	84.1	Confident	13 Å²	13	78.8 Å²	78.8	8%	0.08	39%	0.388	C	S	.	.	I	π-helix	trans	-69.9	-48.8	-174.3	-51.3	0	0	0	0	112.8	F392 K401 R402	F392-T396 WeakPolarHBondContact O-CB 3.19Å; F392-T396 PolarHBondContact O-N 3Å; F392-T396 PolarHBondContact O-OG1 2.87Å; T396-K401 PolarHBondContact O-N 2.89Å; T396-R402 HydrophobicContact CG2-CB 4.4Å; T396-R402 HydrophobicContact CG2-CG 4.43Å; T396-R402 PolarHBondContact O-N 3.49Å; T396-R402 VanDerWaalsContact O-N 3.1Å
397	F	85.6	Confident	83.2	Confident	43 Å²	43	81.4 Å²	81.4	19%	0.189	40%	0.398	C	S	.	.	I	π-helix	trans	-97.4	-23	-170.8	-57.5	-67.6	0	0	0	113.8	V393 R402 W404 Y412	V393-F397 HydrophobicContact CB-CD2 4.4Å; V393-F397 HydrophobicContact CG1-CD2 4.18Å; V393-F397 HydrophobicContact CG2-CD2 4.5Å; V393-F397 WeakPolarHBondContact O-CB 3.48Å; V393-F397 PolarHBondContact O-N 2.74Å; F397-R402 WeakPolarHBondContact CD1-O 3.49Å; F397-W404 HydrophobicContact CD1-CE3 4.47Å; F397-W404 HydrophobicContact CE1-CB 4.42Å; F397-W404 HydrophobicContact CE1-CD2 4.32Å; F397-W404 AromaticContact CE1-CE3 3.79Å; F397-W404 HydrophobicContact CE1-CE3 3.79Å; F397-W404 HydrophobicContact CE1-CZ3 4.46Å; F397-W404 HydrophobicContact CE2-CE3 4.03Å; F397-W404 AromaticContact CE2-CZ3 3.92Å; F397-W404 HydrophobicContact CE2-CZ3 3.92Å; F397-W404 HydrophobicContact CZ-CD2 4.27Å; F397-W404 AromaticContact CZ-CE3 3.54Å; F397-W404 HydrophobicContact CZ-CE3 3.54Å; F397-W404 AromaticContact CZ-CZ3 3.77Å; F397-W404 HydrophobicContact CZ-CZ3 3.77Å; F397-Y412 HydrophobicContact CE1-CD2 4.47Å; F397-Y412 AromaticContact CE1-CE2 3.98Å; F397-Y412 HydrophobicContact CE1-CE2 3.98Å; F397-Y412 HydrophobicContact CZ-CD2 4.01Å; F397-Y412 HydrophobicContact CZ-CE1 4.44Å; F397-Y412 AromaticContact CZ-CE2 3.95Å; F397-Y412 HydrophobicContact CZ-CE2 3.95Å; F397-Y412 HydrophobicContact CZ-CG 4.3Å
398	W	85.1	Confident	82.3	Confident	206 Å²	206	78.9 Å²	78.9	78%	0.78	39%	0.386	S	S	*	.	I	π-helix	trans	-107.3	-43.1	-176.9	-166.7	-91.1	0	0	0	113.6	I394 K401	I394-W398 CarbonylContact O-C 3.59Å; I394-W398 WeakPolarHBondContact O-CA 3.46Å; I394-W398 WeakPolarHBondContact O-CB 3.47Å; I394-W398 PolarHBondContact O-N 3.28Å; W398-K401 WeakPolarHBondContact O-CG 3.19Å
399	V	85.4	Confident	81.8	Confident	92 Å²	92	80.5 Å²	80.5	56%	0.558	40%	0.395	S	S	*	.	I	π-helix	trans	-83.2	-57.6	179.4	-177.7	0	0	0	0	110.9	I394 D395 K401	I394-V399 HydrophobicContact CG2-CG2 4.2Å; I394-V399 PolarHBondContact O-N 3.32Å; D395-V399 PolarHBondContact O-N 3.33Å; V399-K401 VanDerWaalsContact C-N 3.27Å; V399-K401 PolarHBondContact O-N 2.73Å
400	Q	82.1	Confident	81.1	Confident	88 Å²	88	80.2 Å²	80.2	41%	0.411	40%	0.395	S	S	.	.	S	Bend	trans	-74	-16.1	175.7	-61.6	-174.9	37.6	0	0	113	D395 R402	D395-Q400 WeakPolarHBondContact O-CB 3.34Å; D395-Q400 WeakPolarHBondContact O-CG 3.04Å; D395-Q400 PolarHBondContact O-N 2.71Å; D395-Q400 PolarHBondContact OD2-NE2 3.48Å; Q400-R402 VanDerWaalsContact C-N 3.27Å; Q400-R402 HydrophobicContact CB-CG 4.23Å; Q400-R402 PolarHBondContact O-N 3.46Å; Q400-R402 VanDerWaalsContact OE1-CZ 3.31Å
401	K	81.1	Confident	80.4	Confident	166 Å²	166	78.8 Å²	78.8	72%	0.722	39%	0.387	S	S	*	.			trans	55.7	32.2	176.7	-59.7	178.4	-178.6	175.6	0	114.8	T396 W398 V399	T396-K401 PolarHBondContact O-N 2.89Å; W398-K401 WeakPolarHBondContact O-CG 3.19Å; V399-K401 VanDerWaalsContact C-N 3.27Å; V399-K401 PolarHBondContact O-N 2.73Å
402	R	76.6	Confident	80.2	Confident	76 Å²	76	74.2 Å²	74.2	29%	0.287	37%	0.369	S	S	.	.			trans	-65.6	134.4	176.3	-58.7	-166.6	-170.8	-146.8	2.5	110	C137 T396 F397 Q400	C137-R402 PolarHBondContact O-NH1 2.98Å; T396-R402 HydrophobicContact CG2-CB 4.4Å; T396-R402 HydrophobicContact CG2-CG 4.43Å; T396-R402 PolarHBondContact O-N 3.49Å; T396-R402 VanDerWaalsContact O-N 3.1Å; F397-R402 WeakPolarHBondContact CD1-O 3.49Å; Q400-R402 VanDerWaalsContact C-N 3.27Å; Q400-R402 HydrophobicContact CB-CG 4.23Å; Q400-R402 PolarHBondContact O-N 3.46Å; Q400-R402 VanDerWaalsContact OE1-CZ 3.31Å
403	P	75.6	Confident	80	Confident	89 Å²	89	77.1 Å²	77.1	58%	0.578	38%	0.384	S	S	*	.			trans	-71.6	146.2	173.8	29.8	-33.9	0	0	0	110.9	L405	P403-L405 HydrophobicContact CG-CG 4.42Å; P403-L405 PolarHBondContact O-N 3.1Å
404	W	79.1	Confident	79.4	Confident	144 Å²	144	76.5 Å²	76.5	55%	0.545	38%	0.378	S	S	.	.			trans	-76.7	91.1	172	-165.4	-53.8	0	0	0	109.9	F397 T409 Y412	F397-W404 HydrophobicContact CD1-CE3 4.47Å; F397-W404 HydrophobicContact CE1-CB 4.42Å; F397-W404 HydrophobicContact CE1-CD2 4.32Å; F397-W404 AromaticContact CE1-CE3 3.79Å; F397-W404 HydrophobicContact CE1-CE3 3.79Å; F397-W404 HydrophobicContact CE1-CZ3 4.46Å; F397-W404 HydrophobicContact CE2-CE3 4.03Å; F397-W404 AromaticContact CE2-CZ3 3.92Å; F397-W404 HydrophobicContact CE2-CZ3 3.92Å; F397-W404 HydrophobicContact CZ-CD2 4.27Å; F397-W404 AromaticContact CZ-CE3 3.54Å; F397-W404 HydrophobicContact CZ-CE3 3.54Å; F397-W404 AromaticContact CZ-CZ3 3.77Å; F397-W404 HydrophobicContact CZ-CZ3 3.77Å; W404-T409 HydrophobicContact CZ2-CG2 4.37Å; W404-T409 PolarHBondContact NE1-OG1 3.09Å; W404-Y412 HydrophobicContact CD2-CD2 4.5Å; W404-Y412 HydrophobicContact CZ2-CD2 4.47Å
405	L	77.4	Confident	79.1	Confident	50 Å²	50	74.4 Å²	74.4	26%	0.262	37%	0.365	S	S	.	.			trans	-77.6	140.9	171.6	-67.9	167.5	0	0	0	110.6	L136 P403 E407 C408 T409	L136-L405 HydrophobicContact CD2-CD1 4.27Å; P403-L405 HydrophobicContact CG-CG 4.42Å; P403-L405 PolarHBondContact O-N 3.1Å; L405-E407 PolarHBondContact O-N 3.1Å; L405-C408 HydrophobicContact CB-CB 4.44Å; L405-C408 PolarHBondContact O-N 2.91Å; L405-T409 PolarHBondContact O-OG1 3.07Å
406	A	72.1	Confident	79.2	Confident	81 Å²	81	75.1 Å²	75.1	67%	0.669	37%	0.366	S	S	*	.	S	Bend	trans	-62.5	-43.8	179.4	0	0	0	0	0	111.4	C408 T409	A406-C408 VanDerWaalsContact C-N 3.35Å; A406-C408 PolarHBondContact O-N 3.02Å; A406-T409 WeakPolarHBondContact O-CB 3.38Å; A406-T409 PolarHBondContact O-N 3.23Å; A406-T409 PolarHBondContact O-OG1 2.84Å
407	E	72.8	Confident	79.1	Confident	152 Å²	152	75.7 Å²	75.7	71%	0.71	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-39.2	178.9	-68.8	123.5	-156.5	0	0	113.1	L405 T409 P410	L405-E407 PolarHBondContact O-N 3.1Å; E407-T409 PolarHBondContact O-N 2.89Å; E407-P410 WeakPolarHBondContact O-CD 3.35Å
408	C	70.9	Confident	78.7	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.014	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.7	177.2	-42.7	0	0	0	0	113.6	C137 L405 A406 I411 Y412	C137-C408 VanDerWaalsContact CA-SG 3.59Å; C137-C408 HydrophobicContact CB-CB 4.14Å; C137-C408 WeakPolarHBondContact CB-SG 3.44Å; C137-C408 WeakPolarHBondContact SG-CB 3.39Å; C137-C408 CovalentContact SG-SG 2.05Å; C137-C408 PolarHBondContact SG-SG 2.89Å; L405-C408 HydrophobicContact CB-CB 4.44Å; L405-C408 PolarHBondContact O-N 2.91Å; A406-C408 VanDerWaalsContact C-N 3.35Å; A406-C408 PolarHBondContact O-N 3.02Å; C408-I411 HydrophobicContact CB-CG2 4.25Å; C408-I411 WeakPolarHBondContact O-CG2 3.33Å; C408-Y412 HydrophobicContact CB-CE2 3.92Å; C408-Y412 VanDerWaalsContact O-CD2 3.25Å; C408-Y412 WeakPolarHBondContact O-CD2 3.16Å; C408-Y412 PolarHBondContact O-N 3.48Å
409	T	78.6	Confident	78.8	Confident	37 Å²	37	65.5 Å²	65.5	23%	0.227	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-39.5	-178.3	-59.8	0	0	0	0	114.4	W404 L405 A406 E407 I411 Y412 I413	W404-T409 HydrophobicContact CZ2-CG2 4.37Å; W404-T409 PolarHBondContact NE1-OG1 3.09Å; L405-T409 PolarHBondContact O-OG1 3.07Å; A406-T409 WeakPolarHBondContact O-CB 3.38Å; A406-T409 PolarHBondContact O-N 3.23Å; A406-T409 PolarHBondContact O-OG1 2.84Å; E407-T409 PolarHBondContact O-N 2.89Å; T409-I411 PolarHBondContact O-N 3.28Å; T409-Y412 PolarHBondContact O-N 3.12Å; T409-I413 HydrophobicContact CG2-CD1 3.86Å; T409-I413 HydrophobicContact CG2-CG1 4.34Å; T409-I413 WeakPolarHBondContact O-CG1 3.42Å; T409-I413 PolarHBondContact O-N 2.77Å
410	P	74.6	Confident	78.8	Confident	37 Å²	37	66.1 Å²	66.1	24%	0.24	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-42.2	179.8	-24.1	35.2	0	0	0	113.6	Y127 E407 Y412 I413 Q414	Y127-P410 HydrophobicContact CD1-CB 4.06Å; Y127-P410 HydrophobicContact CD1-CG 4.28Å; Y127-P410 HydrophobicContact CE1-CB 4.04Å; Y127-P410 HydrophobicContact CE1-CG 3.74Å; E407-P410 WeakPolarHBondContact O-CD 3.35Å; P410-Y412 PolarHBondContact O-N 2.75Å; P410-I413 WeakPolarHBondContact O-CB 3.37Å; P410-I413 PolarHBondContact O-N 3.1Å; P410-Q414 PolarHBondContact O-N 2.71Å
411	I	75.4	Confident	78.8	Confident	62 Å²	62	62.3 Å²	62.3	32%	0.318	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-38.3	178.4	179.7	61.6	0	0	0	111.4	C408 T409 I413 Q414 Y415 L964	C408-I411 HydrophobicContact CB-CG2 4.25Å; C408-I411 WeakPolarHBondContact O-CG2 3.33Å; T409-I411 PolarHBondContact O-N 3.28Å; I411-I413 PolarHBondContact O-N 3.11Å; I411-Q414 WeakPolarHBondContact O-CB 3.3Å; I411-Q414 PolarHBondContact O-N 3.1Å; I411-Y415 HydrophobicContact CD1-CD2 4.25Å; I411-Y415 HydrophobicContact CD1-CE2 3.89Å; I411-Y415 HydrophobicContact CG1-CD2 4.27Å; I411-Y415 HydrophobicContact CG1-CE2 3.99Å; I411-Y415 VanDerWaalsContact O-CD2 3.31Å; I411-Y415 WeakPolarHBondContact O-CD2 3.5Å; I411-Y415 PolarHBondContact O-N 2.86Å; I411-Y415 VanDerWaalsContact O-N 3.12Å; I411-L964 HydrophobicContact CD1-CD2 3.54Å
412	Y	82.2	Confident	78.8	Confident	17 Å²	17	55 Å²	55	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-41.2	172.4	-58.3	-33.5	0	0	0	112.1	F392 F397 W404 C408 T409 P410 Q414 Y415 F416	F392-Y412 HydrophobicContact CZ-CD1 4.06Å; F397-Y412 HydrophobicContact CE1-CD2 4.47Å; F397-Y412 AromaticContact CE1-CE2 3.98Å; F397-Y412 HydrophobicContact CE1-CE2 3.98Å; F397-Y412 HydrophobicContact CZ-CD2 4.01Å; F397-Y412 HydrophobicContact CZ-CE1 4.44Å; F397-Y412 AromaticContact CZ-CE2 3.95Å; F397-Y412 HydrophobicContact CZ-CE2 3.95Å; F397-Y412 HydrophobicContact CZ-CG 4.3Å; W404-Y412 HydrophobicContact CD2-CD2 4.5Å; W404-Y412 HydrophobicContact CZ2-CD2 4.47Å; C408-Y412 HydrophobicContact CB-CE2 3.92Å; C408-Y412 VanDerWaalsContact O-CD2 3.25Å; C408-Y412 WeakPolarHBondContact O-CD2 3.16Å; C408-Y412 PolarHBondContact O-N 3.48Å; T409-Y412 PolarHBondContact O-N 3.12Å; P410-Y412 PolarHBondContact O-N 2.75Å; Y412-Q414 VanDerWaalsContact C-N 3.3Å; Y412-Q414 PolarHBondContact O-N 2.75Å; Y412-Y415 PolarHBondContact O-N 2.87Å; Y412-F416 WeakPolarHBondContact O-CD2 3.45Å; Y412-F416 PolarHBondContact O-N 3.3Å; Y412-F416 VanDerWaalsContact O-N 3.12Å
413	I	82	Confident	79.2	Confident	77 Å²	77	51.5 Å²	51.5	40%	0.395	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-39.1	173.4	-68.5	169.7	0	0	0	111.2	L124 T409 P410 I411 Y415 F416 V417	L124-I413 HydrophobicContact CD1-CG2 4.11Å; L124-I413 HydrophobicContact CD2-CG2 4.42Å; T409-I413 HydrophobicContact CG2-CD1 3.86Å; T409-I413 HydrophobicContact CG2-CG1 4.34Å; T409-I413 WeakPolarHBondContact O-CG1 3.42Å; T409-I413 PolarHBondContact O-N 2.77Å; P410-I413 WeakPolarHBondContact O-CB 3.37Å; P410-I413 PolarHBondContact O-N 3.1Å; I411-I413 PolarHBondContact O-N 3.11Å; I413-Y415 PolarHBondContact O-N 2.89Å; I413-F416 PolarHBondContact O-N 3.2Å; I413-V417 WeakPolarHBondContact O-CG2 3.18Å; I413-V417 PolarHBondContact O-N 3.2Å
414	Q	76.1	Confident	79.6	Confident	39 Å²	39	47.6 Å²	47.6	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-39.4	177.4	-158.4	175.8	12.1	0	0	112.2	P410 I411 Y412 V417 K418 L964 H965	P410-Q414 PolarHBondContact O-N 2.71Å; I411-Q414 WeakPolarHBondContact O-CB 3.3Å; I411-Q414 PolarHBondContact O-N 3.1Å; Y412-Q414 VanDerWaalsContact C-N 3.3Å; Y412-Q414 PolarHBondContact O-N 2.75Å; Q414-V417 PolarHBondContact O-N 3.43Å; Q414-K418 PolarHBondContact O-N 2.95Å; Q414-L964 HydrophobicContact CB-CD2 4.36Å; Q414-L964 HydrophobicContact CG-CD2 3.93Å; Q414-H965 PolarHBondContact NE2-NE2 2.65Å
415	Y	80.8	Confident	79.6	Confident	44 Å²	44	41.4 Å²	41.4	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-43.6	170.8	-81.7	-76.6	0	0	0	112.5	F392 I411 Y412 I413 V417 K418 F419 L964	F392-Y415 HydrophobicContact CE2-CD1 4.28Å; F392-Y415 HydrophobicContact CE2-CD2 4.12Å; F392-Y415 AromaticContact CE2-CG 3.96Å; F392-Y415 HydrophobicContact CE2-CG 3.96Å; F392-Y415 HydrophobicContact CZ-CD2 4.03Å; F392-Y415 HydrophobicContact CZ-CG 4.03Å; I411-Y415 HydrophobicContact CD1-CD2 4.25Å; I411-Y415 HydrophobicContact CD1-CE2 3.89Å; I411-Y415 HydrophobicContact CG1-CD2 4.27Å; I411-Y415 HydrophobicContact CG1-CE2 3.99Å; I411-Y415 VanDerWaalsContact O-CD2 3.31Å; I411-Y415 WeakPolarHBondContact O-CD2 3.5Å; I411-Y415 PolarHBondContact O-N 2.86Å; I411-Y415 VanDerWaalsContact O-N 3.12Å; Y412-Y415 PolarHBondContact O-N 2.87Å; I413-Y415 PolarHBondContact O-N 2.89Å; Y415-V417 VanDerWaalsContact C-N 3.32Å; Y415-V417 PolarHBondContact O-N 2.79Å; Y415-K418 WeakPolarHBondContact O-CB 3.49Å; Y415-K418 PolarHBondContact O-N 3.39Å; Y415-F419 HydrophobicContact CD1-CZ 4.21Å; Y415-F419 WeakPolarHBondContact O-CD2 3.26Å; Y415-F419 VanDerWaalsContact O-CG 3.26Å; Y415-F419 WeakPolarHBondContact O-CG 3.25Å; Y415-F419 PolarHBondContact O-N 3.49Å; Y415-L964 HydrophobicContact CE2-CD2 4.4Å
416	F	85	Confident	79.9	Confident	63 Å²	63	39.1 Å²	39.1	28%	0.276	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-40.2	175	-73	-63.3	0	0	0	112.6	V389 F392 V393 Y412 I413 F419 F420	V389-F416 HydrophobicContact CG1-CE1 4.1Å; V389-F416 HydrophobicContact CG2-CD1 3.98Å; V389-F416 HydrophobicContact CG2-CE1 4.12Å; F392-F416 HydrophobicContact CD1-CZ 4.42Å; V393-F416 HydrophobicContact CG2-CE1 4.24Å; V393-F416 HydrophobicContact CG2-CZ 3.95Å; Y412-F416 WeakPolarHBondContact O-CD2 3.45Å; Y412-F416 PolarHBondContact O-N 3.3Å; Y412-F416 VanDerWaalsContact O-N 3.12Å; I413-F416 PolarHBondContact O-N 3.2Å; F416-F419 PolarHBondContact O-N 3.16Å; F416-F420 PolarHBondContact O-N 2.81Å
417	V	81.8	Confident	80.5	Confident	25 Å²	25	36.6 Å²	36.6	15%	0.152	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-41.1	174.8	170	0	0	0	0	111.5	V120 L124 I413 Q414 Y415 F419 F420 I421	V120-V417 HydrophobicContact CG1-CG1 4.19Å; V120-V417 HydrophobicContact CG1-CG2 3.88Å; L124-V417 HydrophobicContact CD1-CB 4.2Å; L124-V417 HydrophobicContact CD1-CG1 4.46Å; L124-V417 HydrophobicContact CD1-CG2 3.76Å; I413-V417 WeakPolarHBondContact O-CG2 3.18Å; I413-V417 PolarHBondContact O-N 3.2Å; Q414-V417 PolarHBondContact O-N 3.43Å; Y415-V417 VanDerWaalsContact C-N 3.32Å; Y415-V417 PolarHBondContact O-N 2.79Å; V417-F419 PolarHBondContact O-N 3.37Å; V417-F420 PolarHBondContact O-N 3.15Å; V417-I421 HydrophobicContact CG1-CD1 3.79Å; V417-I421 HydrophobicContact CG1-CG1 4.46Å; V417-I421 WeakPolarHBondContact O-CG1 3.44Å; V417-I421 PolarHBondContact O-N 2.98Å
418	K	78.8	Confident	80.9	Confident	30 Å²	30	29.5 Å²	29.5	13%	0.13	15%	0.147	C	C	.	.	H	α-helix	trans	-59	-46.3	173.4	-176.4	-179.5	176.6	-173.7	0	111.8	Q414 Y415 F420 I421 I422 D879 L964	Q414-K418 PolarHBondContact O-N 2.95Å; Y415-K418 WeakPolarHBondContact O-CB 3.49Å; Y415-K418 PolarHBondContact O-N 3.39Å; K418-F420 VanDerWaalsContact C-N 3.33Å; K418-F420 PolarHBondContact O-N 3.41Å; K418-I421 PolarHBondContact O-N 2.94Å; K418-I422 HydrophobicContact CG-CD1 4.31Å; K418-I422 WeakPolarHBondContact O-CG1 3.43Å; K418-I422 PolarHBondContact O-N 3.1Å; K418-D879 WeakPolarHBondContact CE-OD2 3.35Å; K418-D879 IonicContact NZ-OD2 2.7Å; K418-D879 PolarHBondContact NZ-OD2 3.1Å; K418-L964 HydrophobicContact CD-CD1 3.79Å
419	F	86.3	Confident	81.4	Confident	5 Å²	5	29.4 Å²	29.4	2%	0.022	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-37.4	177.2	-56.7	-36.8	0	0	0	112.4	L388 V389 F392 Y415 F416 V417 I422 G423	L388-F419 HydrophobicContact CB-CB 4.01Å; L388-F419 HydrophobicContact CB-CD1 3.77Å; L388-F419 HydrophobicContact CB-CD2 4.3Å; L388-F419 HydrophobicContact CB-CE1 4.3Å; L388-F419 HydrophobicContact CB-CG 3.77Å; L388-F419 HydrophobicContact CD1-CB 4.16Å; L388-F419 HydrophobicContact CD1-CD1 3.96Å; L388-F419 HydrophobicContact CD1-CG 4.35Å; L388-F419 HydrophobicContact CD2-CD1 4.07Å; L388-F419 HydrophobicContact CD2-CE1 4.19Å; L388-F419 HydrophobicContact CG-CD1 4.16Å; V389-F419 HydrophobicContact CG2-CD2 4.36Å; F392-F419 HydrophobicContact CB-CE2 3.56Å; F392-F419 HydrophobicContact CB-CZ 3.77Å; F392-F419 HydrophobicContact CD1-CE2 4.02Å; F392-F419 HydrophobicContact CD2-CE2 4.22Å; F392-F419 HydrophobicContact CD2-CZ 4.05Å; F392-F419 AromaticContact CG-CE2 3.67Å; F392-F419 HydrophobicContact CG-CE2 3.67Å; F392-F419 AromaticContact CG-CZ 3.92Å; F392-F419 HydrophobicContact CG-CZ 3.92Å; Y415-F419 HydrophobicContact CD1-CZ 4.21Å; Y415-F419 WeakPolarHBondContact O-CD2 3.26Å; Y415-F419 VanDerWaalsContact O-CG 3.26Å; Y415-F419 WeakPolarHBondContact O-CG 3.25Å; Y415-F419 PolarHBondContact O-N 3.49Å; F416-F419 PolarHBondContact O-N 3.16Å; V417-F419 PolarHBondContact O-N 3.37Å; F419-I422 PolarHBondContact O-N 3.13Å; F419-G423 PolarHBondContact O-N 3.39Å
420	F	85.3	Confident	81.6	Confident	104 Å²	104	27.9 Å²	27.9	46%	0.456	14%	0.137	S	C	.	.	H	α-helix	trans	-64.9	-42.9	173.6	-173.7	-102.2	0	0	0	112.2	I113 A117 F416 V417 K418 I422 G423 V424	I113-F420 HydrophobicContact CG2-CE1 4.3Å; I113-F420 HydrophobicContact CG2-CZ 4.3Å; A117-F420 HydrophobicContact CB-CD1 4.34Å; A117-F420 HydrophobicContact CB-CE1 4.36Å; F416-F420 PolarHBondContact O-N 2.81Å; V417-F420 PolarHBondContact O-N 3.15Å; K418-F420 VanDerWaalsContact C-N 3.33Å; K418-F420 PolarHBondContact O-N 3.41Å; F420-I422 VanDerWaalsContact C-N 3.35Å; F420-I422 PolarHBondContact O-N 2.98Å; F420-G423 CarbonylContact O-C 3.57Å; F420-G423 WeakPolarHBondContact O-CA 3.39Å; F420-G423 PolarHBondContact O-N 3.16Å; F420-G423 VanDerWaalsContact O-N 3.08Å; F420-V424 HydrophobicContact CD1-CG2 4.05Å; F420-V424 HydrophobicContact CE1-CG2 3.65Å; F420-V424 HydrophobicContact CZ-CG2 3.9Å; F420-V424 WeakPolarHBondContact O-CG2 3.43Å; F420-V424 PolarHBondContact O-N 3.44Å
421	I	81.6	Confident	81.9	Confident	9 Å²	9	27.9 Å²	27.9	5%	0.046	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-40.3	175.7	-70.9	164.6	0	0	0	111.4	A117 I159 V417 K418 G423 V424 T425 A884	A117-I421 HydrophobicContact CB-CG1 3.91Å; I159-I421 HydrophobicContact CD1-CG2 4.35Å; V417-I421 HydrophobicContact CG1-CD1 3.79Å; V417-I421 HydrophobicContact CG1-CG1 4.46Å; V417-I421 WeakPolarHBondContact O-CG1 3.44Å; V417-I421 PolarHBondContact O-N 2.98Å; K418-I421 PolarHBondContact O-N 2.94Å; I421-G423 VanDerWaalsContact C-N 3.32Å; I421-G423 PolarHBondContact O-N 3.27Å; I421-V424 PolarHBondContact O-N 3.07Å; I421-T425 VanDerWaalsContact O-CB 3.31Å; I421-T425 WeakPolarHBondContact O-CB 3.25Å; I421-T425 PolarHBondContact O-N 3.14Å; I421-T425 PolarHBondContact O-OG1 3.47Å; I421-A884 HydrophobicContact CG2-CB 4.26Å
422	I	82	Confident	81.9	Confident	13 Å²	13	25.2 Å²	25.2	7%	0.067	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-44.4	172	-67.2	166	0	0	0	110.1	T384 L388 K418 F419 F420 T425 V426	T384-I422 HydrophobicContact CG2-CG2 4.42Å; L388-I422 HydrophobicContact CD1-CB 4.27Å; L388-I422 HydrophobicContact CD1-CD1 4.25Å; L388-I422 HydrophobicContact CD1-CG2 3.99Å; K418-I422 HydrophobicContact CG-CD1 4.31Å; K418-I422 WeakPolarHBondContact O-CG1 3.43Å; K418-I422 PolarHBondContact O-N 3.1Å; F419-I422 PolarHBondContact O-N 3.13Å; F420-I422 VanDerWaalsContact C-N 3.35Å; F420-I422 PolarHBondContact O-N 2.98Å; I422-T425 PolarHBondContact O-N 3.19Å; I422-V426 WeakPolarHBondContact O-CG2 3.24Å; I422-V426 PolarHBondContact O-N 3.13Å
423	G	85	Confident	81.5	Confident	1 Å²	1	27 Å²	27	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-57.6	-48.7	174.4	0	0	0	0	0	114	S381 F419 F420 I421 T425 V426 L427	S381-G423 WeakPolarHBondContact CB-O 3.16Å; S381-G423 VanDerWaalsContact OG-C 3.31Å; S381-G423 PolarHBondContact OG-O 3.44Å; F419-G423 PolarHBondContact O-N 3.39Å; F420-G423 CarbonylContact O-C 3.57Å; F420-G423 WeakPolarHBondContact O-CA 3.39Å; F420-G423 PolarHBondContact O-N 3.16Å; F420-G423 VanDerWaalsContact O-N 3.08Å; I421-G423 VanDerWaalsContact C-N 3.32Å; I421-G423 PolarHBondContact O-N 3.27Å; G423-T425 VanDerWaalsContact C-N 3.34Å; G423-V426 PolarHBondContact O-N 2.77Å; G423-L427 PolarHBondContact O-N 2.85Å
424	V	83.6	Confident	80.8	Confident	7 Å²	7	23.6 Å²	23.6	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-64.5	-39.8	177.1	177	0	0	0	0	110.8	I113 L114 F420 I421 V426 L427 V428	I113-V424 HydrophobicContact CG2-CG1 4.1Å; I113-V424 HydrophobicContact CG2-CG2 3.7Å; L114-V424 HydrophobicContact CB-CG1 4.05Å; L114-V424 HydrophobicContact CD1-CG1 4.01Å; F420-V424 HydrophobicContact CD1-CG2 4.05Å; F420-V424 HydrophobicContact CE1-CG2 3.65Å; F420-V424 HydrophobicContact CZ-CG2 3.9Å; F420-V424 WeakPolarHBondContact O-CG2 3.43Å; F420-V424 PolarHBondContact O-N 3.44Å; I421-V424 PolarHBondContact O-N 3.07Å; V424-V426 PolarHBondContact O-N 2.76Å; V424-L427 WeakPolarHBondContact O-CB 3.47Å; V424-L427 PolarHBondContact O-N 3.34Å; V424-L427 VanDerWaalsContact O-N 3.11Å; V424-V428 HydrophobicContact CG1-CG2 4.42Å; V424-V428 WeakPolarHBondContact O-CG2 3.5Å; V424-V428 PolarHBondContact O-N 2.66Å
425	T	79.2	Confident	80.7	Confident	14 Å²	14	21.8 Å²	21.8	9%	0.086	11%	0.107	C	C	.	.	H	α-helix	trans	-61.8	-42.1	176	-57	0	0	0	0	111.8	I421 I422 G423 L427 V428 V429 M887	I421-T425 VanDerWaalsContact O-CB 3.31Å; I421-T425 WeakPolarHBondContact O-CB 3.25Å; I421-T425 PolarHBondContact O-N 3.14Å; I421-T425 PolarHBondContact O-OG1 3.47Å; I422-T425 PolarHBondContact O-N 3.19Å; G423-T425 VanDerWaalsContact C-N 3.34Å; T425-L427 VanDerWaalsContact C-N 3.33Å; T425-V428 PolarHBondContact O-N 2.82Å; T425-V429 PolarHBondContact O-N 3.3Å; T425-V429 VanDerWaalsContact O-N 3.17Å; T425-M887 HydrophobicContact CG2-CB 3.4Å; T425-M887 VanDerWaalsContact CG2-CB 3.4Å; T425-M887 HydrophobicContact CG2-CE 4.21Å; T425-M887 HydrophobicContact CG2-CG 3.62Å
426	V	83.9	Confident	80	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-37.7	173.2	169.6	0	0	0	0	111.4	I422 G423 V424 A430 A870	I422-V426 WeakPolarHBondContact O-CG2 3.24Å; I422-V426 PolarHBondContact O-N 3.13Å; G423-V426 PolarHBondContact O-N 2.77Å; V424-V426 PolarHBondContact O-N 2.76Å; V426-A430 WeakPolarHBondContact O-CB 3.12Å; V426-A430 PolarHBondContact O-N 2.85Å; V426-A870 HydrophobicContact CG2-CB 3.71Å
427	L	84.7	Confident	79.4	Confident	29 Å²	29	21.2 Å²	21.2	15%	0.152	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-48.7	176.3	-180	61.2	0	0	0	111.8	T110 L378 G423 V424 T425 V429 A430 V431	T110-L427 HydrophobicContact CG2-CD2 4.29Å; T110-L427 HydrophobicContact CG2-CG 4.3Å; L378-L427 HydrophobicContact CB-CD1 4.2Å; L378-L427 HydrophobicContact CD1-CD1 4.31Å; L378-L427 HydrophobicContact CD1-CD2 4.34Å; G423-L427 PolarHBondContact O-N 2.85Å; V424-L427 WeakPolarHBondContact O-CB 3.47Å; V424-L427 PolarHBondContact O-N 3.34Å; V424-L427 VanDerWaalsContact O-N 3.11Å; T425-L427 VanDerWaalsContact C-N 3.33Å; L427-V429 PolarHBondContact O-N 3.34Å; L427-A430 PolarHBondContact O-N 3.2Å; L427-A430 VanDerWaalsContact O-N 3.13Å; L427-V431 HydrophobicContact CD1-CG2 3.88Å; L427-V431 HydrophobicContact CG-CG2 4.47Å; L427-V431 WeakPolarHBondContact O-CG2 3.48Å; L427-V431 PolarHBondContact O-N 2.64Å
428	V	80.8	Confident	79.1	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-56.4	-47.5	178.9	169	0	0	0	0	111.3	T110 V424 T425 A430 V431 L888 N891	T110-V428 HydrophobicContact CG2-CG2 3.68Å; V424-V428 HydrophobicContact CG1-CG2 4.42Å; V424-V428 WeakPolarHBondContact O-CG2 3.5Å; V424-V428 PolarHBondContact O-N 2.66Å; T425-V428 PolarHBondContact O-N 2.82Å; V428-A430 VanDerWaalsContact C-N 3.34Å; V428-A430 PolarHBondContact O-N 3.26Å; V428-V431 PolarHBondContact O-N 2.93Å; V428-L888 HydrophobicContact CG1-CD2 4.15Å; V428-N891 WeakPolarHBondContact CG1-ND2 3.17Å
429	V	81.7	Confident	79.1	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-77.4	-20	179.6	179	0	0	0	0	112.8	T425 L427 N863 A866 M887 M894	T425-V429 PolarHBondContact O-N 3.3Å; T425-V429 VanDerWaalsContact O-N 3.17Å; L427-V429 PolarHBondContact O-N 3.34Å; V429-N863 PolarHBondContact O-ND2 3.3Å; V429-N863 VanDerWaalsContact O-ND2 3.13Å; V429-A866 HydrophobicContact CG1-CB 3.56Å; V429-M887 HydrophobicContact CB-CE 3.93Å; V429-M887 HydrophobicContact CG1-CE 4.14Å; V429-M887 HydrophobicContact CG2-CB 4Å; V429-M887 HydrophobicContact CG2-CE 3.73Å; V429-M887 HydrophobicContact CG2-SD 4.23Å; V429-M894 HydrophobicContact CG1-CE 4.31Å; V429-M894 HydrophobicContact CG1-SD 4.32Å
430	A	83.8	Confident	78.6	Confident	5 Å²	5	19.9 Å²	19.9	4%	0.041	11%	0.109	C	C	.	.	H	α-helix	trans	-76.5	-30.8	173.2	0	0	0	0	0	113.1	I373 G377 V426 L427 V428 P432 N863 V867	I373-A430 WeakPolarHBondContact CG2-O 3.43Å; G377-A430 VanDerWaalsContact CA-CB 3.47Å; V426-A430 WeakPolarHBondContact O-CB 3.12Å; V426-A430 PolarHBondContact O-N 2.85Å; L427-A430 PolarHBondContact O-N 3.2Å; L427-A430 VanDerWaalsContact O-N 3.13Å; V428-A430 VanDerWaalsContact C-N 3.34Å; V428-A430 PolarHBondContact O-N 3.26Å; A430-P432 WeakPolarHBondContact O-CD 3.48Å; A430-N863 PolarHBondContact O-ND2 3.41Å; A430-V867 HydrophobicContact CB-CG2 3.75Å
431	V	80.8	Confident	78.4	Confident	37 Å²	37	15.5 Å²	15.5	22%	0.224	9%	0.09	C	C	.	.	S	Bend	trans	-92.3	113.2	-177.4	177	0	0	0	0	110.7	L427 V428 E433	L427-V431 HydrophobicContact CD1-CG2 3.88Å; L427-V431 HydrophobicContact CG-CG2 4.47Å; L427-V431 WeakPolarHBondContact O-CG2 3.48Å; L427-V431 PolarHBondContact O-N 2.64Å; V428-V431 PolarHBondContact O-N 2.93Å; V431-E433 HydrophobicContact CG1-CG 4.34Å; V431-E433 PolarHBondContact O-N 3.26Å
432	P	75.1	Confident	78.5	Confident	5 Å²	5	15.1 Å²	15.1	3%	0.032	9%	0.088	C	C	.	.			trans	-82.6	85.6	179.2	33.7	-35.2	0	0	0	111	I373 A430 G434 L435 Q859	I373-P432 HydrophobicContact CD1-CG 4.34Å; I373-P432 HydrophobicContact CG2-CG 4.28Å; A430-P432 WeakPolarHBondContact O-CD 3.48Å; P432-G434 PolarHBondContact O-N 2.81Å; P432-L435 HydrophobicContact CB-CB 4.12Å; P432-L435 HydrophobicContact CB-CD1 4.32Å; P432-L435 HydrophobicContact CG-CB 4.27Å; P432-L435 HydrophobicContact CG-CD1 3.83Å; P432-L435 VanDerWaalsContact O-CB 3.23Å; P432-L435 WeakPolarHBondContact O-CB 3.49Å; P432-L435 PolarHBondContact O-N 3.03Å; P432-Q859 HydrophobicContact CB-CG 4.15Å
433	E	72.7	Confident	78.5	Confident	56 Å²	56	14.8 Å²	14.8	26%	0.262	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-45	-176.2	-67.6	173.7	-163.7	0	0	113.2	V431 L435 P436	V431-E433 HydrophobicContact CG1-CG 4.34Å; V431-E433 PolarHBondContact O-N 3.26Å; E433-L435 VanDerWaalsContact C-N 3.26Å; E433-L435 PolarHBondContact O-N 2.89Å; E433-P436 WeakPolarHBondContact O-CD 3.37Å
434	G	67.1	Low	78.3	Confident	4 Å²	4	14.8 Å²	14.8	4%	0.041	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	4.3	-178.3	0	0	0	0	0	115.1	P432 L437 A438 D895	P432-G434 PolarHBondContact O-N 2.81Å; G434-L437 CarbonylContact O-C 3.53Å; G434-L437 WeakPolarHBondContact O-CA 3.37Å; G434-L437 WeakPolarHBondContact O-CB 3.14Å; G434-L437 PolarHBondContact O-N 3.1Å; G434-A438 WeakPolarHBondContact O-CB 3.47Å; G434-A438 PolarHBondContact O-N 2.91Å; G434-D895 WeakPolarHBondContact CA-OD1 3.44Å; G434-D895 WeakPolarHBondContact CA-OD2 3.41Å; G434-D895 VanDerWaalsContact N-CG 3.34Å; G434-D895 PolarHBondContact N-OD1 2.99Å; G434-D895 PolarHBondContact N-OD2 3.4Å
435	L	74.3	Confident	78.3	Confident	2 Å²	2	16.2 Å²	16.2	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-60.2	-39.7	178.1	179.1	157.9	0	0	0	113.8	L366 L369 A370 P432 E433 L856	L366-L435 HydrophobicContact CB-CD2 3.65Å; L366-L435 HydrophobicContact CD2-CD1 4.44Å; L366-L435 HydrophobicContact CD2-CD2 3.59Å; L366-L435 HydrophobicContact CD2-CG 3.99Å; L366-L435 HydrophobicContact CG-CD2 4.14Å; L369-L435 HydrophobicContact CD2-CD1 3.68Å; A370-L435 HydrophobicContact CB-CD1 4.47Å; A370-L435 HydrophobicContact CB-CD2 4.1Å; P432-L435 HydrophobicContact CB-CB 4.12Å; P432-L435 HydrophobicContact CB-CD1 4.32Å; P432-L435 HydrophobicContact CG-CB 4.27Å; P432-L435 HydrophobicContact CG-CD1 3.83Å; P432-L435 VanDerWaalsContact O-CB 3.23Å; P432-L435 WeakPolarHBondContact O-CB 3.49Å; P432-L435 PolarHBondContact O-N 3.03Å; E433-L435 VanDerWaalsContact C-N 3.26Å; E433-L435 PolarHBondContact O-N 2.89Å; L435-L856 HydrophobicContact CD1-CD2 3.74Å; L435-L856 HydrophobicContact CG-CD2 4.09Å
436	P	67.7	Low	78.7	Confident	71 Å²	71	15.6 Å²	15.6	46%	0.461	9%	0.087	S	C	.	.	H	α-helix	trans	-74.2	-28.2	168.7	-16	32.9	0	0	0	113.2	E433 T440	E433-P436 WeakPolarHBondContact O-CD 3.37Å; P436-T440 PolarHBondContact O-OG1 3.36Å; P436-T440 VanDerWaalsContact O-OG1 3.06Å
437	L	70.9	Confident	78.7	Confident	24 Å²	24	15.5 Å²	15.5	13%	0.126	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-44.8	179.3	177.6	58.4	0	0	0	111.2	D174 K177 G434 V439 T440 I441	D174-L437 WeakPolarHBondContact OD1-CD1 3.42Å; K177-L437 HydrophobicContact CD-CD1 4.1Å; G434-L437 CarbonylContact O-C 3.53Å; G434-L437 WeakPolarHBondContact O-CA 3.37Å; G434-L437 WeakPolarHBondContact O-CB 3.14Å; G434-L437 PolarHBondContact O-N 3.1Å; L437-V439 VanDerWaalsContact C-N 3.28Å; L437-V439 PolarHBondContact O-N 3.46Å; L437-T440 WeakPolarHBondContact O-CA 3.4Å; L437-T440 PolarHBondContact O-N 2.66Å; L437-I441 HydrophobicContact CD1-CD1 3.93Å; L437-I441 HydrophobicContact CD1-CG1 4Å; L437-I441 HydrophobicContact CD2-CD1 4.26Å; L437-I441 HydrophobicContact CG-CD1 3.68Å; L437-I441 HydrophobicContact CG-CG1 4.21Å; L437-I441 WeakPolarHBondContact O-CG1 3.5Å; L437-I441 PolarHBondContact O-N 3.33Å
438	A	76.6	Confident	78.7	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-54.2	-40.4	178.6	0	0	0	0	0	113	G434 T440 S442 F855	G434-A438 WeakPolarHBondContact O-CB 3.47Å; G434-A438 PolarHBondContact O-N 2.91Å; A438-T440 VanDerWaalsContact C-N 3.35Å; A438-S442 WeakPolarHBondContact O-CB 3.38Å; A438-S442 PolarHBondContact O-N 2.97Å; A438-F855 HydrophobicContact CB-CD1 3.52Å; A438-F855 HydrophobicContact CB-CE1 3.47Å; A438-F855 VanDerWaalsContact CB-CE1 3.47Å; A438-F855 HydrophobicContact CB-CG 4.23Å; A438-F855 HydrophobicContact CB-CZ 4.14Å
439	V	78.9	Confident	79	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-56.9	-52.2	172.1	-172.1	0	0	0	0	110.3	Q363 L366 L437 I441 S442 L443 I852	Q363-V439 HydrophobicContact CG-CG1 4.18Å; L366-V439 HydrophobicContact CD1-CG2 3.09Å; L437-V439 VanDerWaalsContact C-N 3.28Å; L437-V439 PolarHBondContact O-N 3.46Å; V439-I441 VanDerWaalsContact C-N 3.33Å; V439-I441 PolarHBondContact O-N 3.12Å; V439-S442 PolarHBondContact O-N 3.3Å; V439-L443 VanDerWaalsContact O-CB 3.23Å; V439-L443 WeakPolarHBondContact O-CB 3.41Å; V439-L443 PolarHBondContact O-N 3.5Å; V439-I852 HydrophobicContact CB-CD1 4.22Å; V439-I852 HydrophobicContact CG1-CD1 3.98Å; V439-I852 HydrophobicContact CG2-CD1 4.21Å
440	T	76.1	Confident	79.3	Confident	29 Å²	29	23.5 Å²	23.5	18%	0.178	12%	0.12	C	C	.	.	H	α-helix	trans	-70.8	-32.7	-170.3	-42.7	0	0	0	0	111.2	K177 F181 P436 L437 A438 A444	K177-T440 HydrophobicContact CD-CG2 3.66Å; K177-T440 HydrophobicContact CG-CG2 4.28Å; F181-T440 HydrophobicContact CE2-CG2 3.96Å; F181-T440 HydrophobicContact CZ-CG2 4Å; P436-T440 PolarHBondContact O-OG1 3.36Å; P436-T440 VanDerWaalsContact O-OG1 3.06Å; L437-T440 WeakPolarHBondContact O-CA 3.4Å; L437-T440 PolarHBondContact O-N 2.66Å; A438-T440 VanDerWaalsContact C-N 3.35Å; T440-A444 VanDerWaalsContact O-CB 3.22Å; T440-A444 WeakPolarHBondContact O-CB 3.46Å; T440-A444 PolarHBondContact O-N 3.37Å
441	I	80.6	Confident	79.4	Confident	12 Å²	12	25.7 Å²	25.7	6%	0.062	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-51	170.5	-66.6	172.2	0	0	0	110.9	N173 L437 V439 L443 A444 Y445 L900	N173-I441 VanDerWaalsContact ND2-CD1 3.31Å; N173-I441 WeakPolarHBondContact ND2-CD1 3.39Å; N173-I441 WeakPolarHBondContact OD1-CD1 3.24Å; L437-I441 HydrophobicContact CD1-CD1 3.93Å; L437-I441 HydrophobicContact CD1-CG1 4Å; L437-I441 HydrophobicContact CD2-CD1 4.26Å; L437-I441 HydrophobicContact CG-CD1 3.68Å; L437-I441 HydrophobicContact CG-CG1 4.21Å; L437-I441 WeakPolarHBondContact O-CG1 3.5Å; L437-I441 PolarHBondContact O-N 3.33Å; V439-I441 VanDerWaalsContact C-N 3.33Å; V439-I441 PolarHBondContact O-N 3.12Å; I441-L443 VanDerWaalsContact C-N 3.28Å; I441-L443 PolarHBondContact O-N 2.72Å; I441-A444 PolarHBondContact O-N 3.06Å; I441-Y445 WeakPolarHBondContact O-CB 3.32Å; I441-Y445 PolarHBondContact O-N 2.94Å; I441-L900 HydrophobicContact CG2-CD1 3.95Å
442	S	83.5	Confident	79.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-46.8	178.4	-158.1	0	0	0	0	110.6	A438 V439 Y445 S446 A903	A438-S442 WeakPolarHBondContact O-CB 3.38Å; A438-S442 PolarHBondContact O-N 2.97Å; V439-S442 PolarHBondContact O-N 3.3Å; S442-Y445 PolarHBondContact O-N 2.59Å; S442-S446 VanDerWaalsContact O-CB 3.23Å; S442-S446 WeakPolarHBondContact O-CB 3.24Å; S442-S446 PolarHBondContact O-N 3.45Å; S442-S446 PolarHBondContact O-OG 2.88Å; S442-S446 VanDerWaalsContact O-OG 3.04Å; S442-A903 PolarHBondContact OG-O 2.91Å
443	L	82.4	Confident	80.4	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-46.1	-178.6	-152.8	63.2	0	0	0	112.2	V439 I441 Y445 S446 V447 L460 C463 V848	V439-L443 VanDerWaalsContact O-CB 3.23Å; V439-L443 WeakPolarHBondContact O-CB 3.41Å; V439-L443 PolarHBondContact O-N 3.5Å; I441-L443 VanDerWaalsContact C-N 3.28Å; I441-L443 PolarHBondContact O-N 2.72Å; L443-Y445 PolarHBondContact O-N 3.28Å; L443-S446 PolarHBondContact O-N 2.92Å; L443-V447 WeakPolarHBondContact O-CB 3.21Å; L443-V447 VanDerWaalsContact O-CG2 3.29Å; L443-V447 WeakPolarHBondContact O-CG2 3.33Å; L443-V447 PolarHBondContact O-N 3.14Å; L443-L460 WeakPolarHBondContact CD1-O 3.49Å; L443-L460 HydrophobicContact CD2-CB 3.67Å; L443-L460 HydrophobicContact CG-CB 4.18Å; L443-C463 HydrophobicContact CD1-CB 3.87Å; L443-V848 HydrophobicContact CD1-CG1 4.15Å; L443-V848 HydrophobicContact CD1-CG2 4.44Å
444	A	80.8	Confident	81.3	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-43.5	177.4	0	0	0	0	0	112.2	F181 T440 I441 K448	F181-A444 HydrophobicContact CE1-CB 3.94Å; F181-A444 HydrophobicContact CE2-CB 4.3Å; F181-A444 HydrophobicContact CZ-CB 3.73Å; T440-A444 VanDerWaalsContact O-CB 3.22Å; T440-A444 WeakPolarHBondContact O-CB 3.46Å; T440-A444 PolarHBondContact O-N 3.37Å; I441-A444 PolarHBondContact O-N 3.06Å; A444-K448 WeakPolarHBondContact O-CB 3.43Å; A444-K448 PolarHBondContact O-N 3.23Å; A444-K448 VanDerWaalsContact O-N 3.09Å
445	Y	82.9	Confident	82.4	Confident	37 Å²	37	34.3 Å²	34.3	15%	0.145	17%	0.167	C	C	.	.	H	α-helix	trans	-67	-44.9	176.5	177.7	-96.7	0	0	0	111.9	I441 S442 L443 K448 K449 T904 I1008	I441-Y445 WeakPolarHBondContact O-CB 3.32Å; I441-Y445 PolarHBondContact O-N 2.94Å; S442-Y445 PolarHBondContact O-N 2.59Å; L443-Y445 PolarHBondContact O-N 3.28Å; Y445-K448 PolarHBondContact O-N 2.85Å; Y445-K449 HydrophobicContact CD1-CG 4.44Å; Y445-K449 HydrophobicContact CE1-CG 4.2Å; Y445-K449 VanDerWaalsContact O-CG 3.29Å; Y445-K449 WeakPolarHBondContact O-CG 3.45Å; Y445-K449 PolarHBondContact O-N 3.37Å; Y445-K449 VanDerWaalsContact O-N 3.09Å; Y445-K449 WeakPolarHBondContact OH-CE 3.35Å; Y445-K449 PolarHBondContact OH-NZ 2.87Å; Y445-K449 VanDerWaalsContact OH-NZ 3.1Å; Y445-T904 HydrophobicContact CD1-CG2 3.99Å; Y445-T904 HydrophobicContact CD2-CG2 3.99Å; Y445-T904 HydrophobicContact CE1-CG2 4.22Å; Y445-T904 WeakPolarHBondContact CE1-O 3.49Å; Y445-T904 HydrophobicContact CE2-CG2 4.23Å; Y445-T904 HydrophobicContact CG-CG2 3.84Å; Y445-T904 PolarHBondContact OH-O 3.27Å; Y445-I1008 HydrophobicContact CE2-CD1 4.04Å
446	S	86.8	Confident	83.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-45.8	177	-70.9	0	0	0	0	112.1	S442 L443 K448 K449 M450 V848	S442-S446 VanDerWaalsContact O-CB 3.23Å; S442-S446 WeakPolarHBondContact O-CB 3.24Å; S442-S446 PolarHBondContact O-N 3.45Å; S442-S446 PolarHBondContact O-OG 2.88Å; S442-S446 VanDerWaalsContact O-OG 3.04Å; L443-S446 PolarHBondContact O-N 2.92Å; S446-K448 VanDerWaalsContact C-N 3.34Å; S446-K448 PolarHBondContact O-N 3.04Å; S446-K449 CarbonylContact O-C 3.57Å; S446-K449 PolarHBondContact O-N 2.99Å; S446-M450 WeakPolarHBondContact O-CB 3.41Å; S446-M450 WeakPolarHBondContact O-CG 3.34Å; S446-M450 PolarHBondContact O-N 3.24Å; S446-V848 WeakPolarHBondContact OG-CG2 3.41Å
447	V	84.2	Confident	84.1	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-41.9	176.5	170.1	0	0	0	0	111.3	L184 L443 K449 M450 M451 V457 L460 C463	L184-V447 HydrophobicContact CD1-CB 4.31Å; L184-V447 HydrophobicContact CD1-CG1 3.64Å; L184-V447 HydrophobicContact CD2-CG1 3.99Å; L184-V447 HydrophobicContact CG-CG1 4.45Å; L443-V447 WeakPolarHBondContact O-CB 3.21Å; L443-V447 VanDerWaalsContact O-CG2 3.29Å; L443-V447 WeakPolarHBondContact O-CG2 3.33Å; L443-V447 PolarHBondContact O-N 3.14Å; V447-K449 PolarHBondContact O-N 2.98Å; V447-M450 PolarHBondContact O-N 3.37Å; V447-M451 PolarHBondContact O-N 2.79Å; V447-V457 HydrophobicContact CG1-CB 3.9Å; V447-V457 HydrophobicContact CG1-CG2 4.39Å; V447-V457 HydrophobicContact CG2-CB 3.94Å; V447-V457 HydrophobicContact CG2-CG1 4.08Å; V447-V457 HydrophobicContact CG2-CG2 4.11Å; V447-L460 HydrophobicContact CG2-CD2 4.05Å; V447-C463 HydrophobicContact CG2-CB 4.37Å
448	K	84.3	Confident	84.8	Confident	113 Å²	113	33.1 Å²	33.1	49%	0.491	15%	0.152	S	C	.	.	H	α-helix	trans	-61.1	-29	174.5	-177.3	177.3	176.7	-177.6	0	113.3	A444 Y445 S446	A444-K448 WeakPolarHBondContact O-CB 3.43Å; A444-K448 PolarHBondContact O-N 3.23Å; A444-K448 VanDerWaalsContact O-N 3.09Å; Y445-K448 PolarHBondContact O-N 2.85Å; S446-K448 VanDerWaalsContact C-N 3.34Å; S446-K448 PolarHBondContact O-N 3.04Å
449	K	87.8	Confident	84.9	Confident	85 Å²	85	36.4 Å²	36.4	37%	0.37	17%	0.167	S	C	.	.	H	α-helix	trans	-83.8	-40.9	174.4	-64.1	-84.2	-175.2	154.7	0	112	Y445 S446 V447 M451 K452 D453 W844	Y445-K449 HydrophobicContact CD1-CG 4.44Å; Y445-K449 HydrophobicContact CE1-CG 4.2Å; Y445-K449 VanDerWaalsContact O-CG 3.29Å; Y445-K449 WeakPolarHBondContact O-CG 3.45Å; Y445-K449 PolarHBondContact O-N 3.37Å; Y445-K449 VanDerWaalsContact O-N 3.09Å; Y445-K449 WeakPolarHBondContact OH-CE 3.35Å; Y445-K449 PolarHBondContact OH-NZ 2.87Å; Y445-K449 VanDerWaalsContact OH-NZ 3.1Å; S446-K449 CarbonylContact O-C 3.57Å; S446-K449 PolarHBondContact O-N 2.99Å; V447-K449 PolarHBondContact O-N 2.98Å; K449-M451 PolarHBondContact O-N 3.22Å; K449-K452 WeakPolarHBondContact O-CA 3.49Å; K449-K452 WeakPolarHBondContact O-CB 3.46Å; K449-K452 PolarHBondContact O-N 3.25Å; K449-D453 PolarHBondContact O-N 2.68Å; K449-D453 VanDerWaalsContact O-N 3.09Å; K449-W844 HydrophobicContact CB-CH2 3.34Å; K449-W844 HydrophobicContact CB-CZ2 3.35Å; K449-W844 HydrophobicContact CB-CZ3 4.07Å; K449-W844 HydrophobicContact CD-CH2 4.4Å; K449-W844 HydrophobicContact CG-CH2 3.7Å; K449-W844 HydrophobicContact CG-CZ2 4.15Å; K449-W844 HydrophobicContact CG-CZ3 4.42Å
450	M	88	Confident	84.9	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-55.2	-39	172.8	-77.9	-177.7	67.1	0	0	111.9	S446 V447 K452 D453 N454 N455 V457 C463 I828 A841 W844	S446-M450 WeakPolarHBondContact O-CB 3.41Å; S446-M450 WeakPolarHBondContact O-CG 3.34Å; S446-M450 PolarHBondContact O-N 3.24Å; V447-M450 PolarHBondContact O-N 3.37Å; M450-K452 PolarHBondContact O-N 2.94Å; M450-D453 CarbonylContact O-C 3.54Å; M450-D453 VanDerWaalsContact O-CA 3.24Å; M450-D453 WeakPolarHBondContact O-CA 3.36Å; M450-D453 WeakPolarHBondContact O-CB 3.45Å; M450-D453 PolarHBondContact O-N 3.04Å; M450-N454 PolarHBondContact O-N 3.06Å; M450-N455 CarbonylContact C-O 3.53Å; M450-N455 HydrophobicContact CB-CB 3.99Å; M450-N455 HydrophobicContact CE-CB 3.77Å; M450-N455 PolarHBondContact O-N 3.33Å; M450-V457 HydrophobicContact CB-CG2 4.48Å; M450-V457 HydrophobicContact CE-CG2 3.54Å; M450-V457 HydrophobicContact SD-CG2 4Å; M450-C463 HydrophobicContact SD-CB 4.38Å; M450-C463 PolarHBondContact SD-SG 2.95Å; M450-I828 HydrophobicContact CE-CD1 4.37Å; M450-A841 HydrophobicContact CE-CB 3.83Å; M450-W844 HydrophobicContact CG-CB 3.72Å; M450-W844 HydrophobicContact CG-CD2 3.96Å; M450-W844 HydrophobicContact CG-CG 3.44Å; M450-W844 VanDerWaalsContact CG-CG 3.44Å; M450-W844 HydrophobicContact SD-CB 3.63Å; M450-W844 HydrophobicContact SD-CG 4.06Å
451	M	85.2	Confident	85.1	Confident	52 Å²	52	40.8 Å²	40.8	26%	0.256	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.4	173.7	-171.5	-170.8	69.3	0	0	113	L184 R187 V447 K449 N455 L456	L184-M451 HydrophobicContact CD2-SD 3.9Å; R187-M451 HydrophobicContact CB-SD 4.17Å; R187-M451 HydrophobicContact CG-SD 4.09Å; V447-M451 PolarHBondContact O-N 2.79Å; K449-M451 PolarHBondContact O-N 3.22Å; M451-N455 WeakPolarHBondContact CA-O 3.44Å; M451-N455 PolarHBondContact N-O 3.43Å; M451-L456 HydrophobicContact CG-CD1 4.14Å; M451-L456 HydrophobicContact SD-CD1 4.4Å
452	K	87.6	Confident	85.5	Confident	182 Å²	182	40.3 Å²	40.3	79%	0.791	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-24.8	170.8	-164.1	-166.7	172.5	-170.2	0	111.9	K449 M450 N454	K449-K452 WeakPolarHBondContact O-CA 3.49Å; K449-K452 WeakPolarHBondContact O-CB 3.46Å; K449-K452 PolarHBondContact O-N 3.25Å; M450-K452 PolarHBondContact O-N 2.94Å; K452-N454 VanDerWaalsContact C-N 3.26Å; K452-N454 PolarHBondContact O-N 3.27Å
453	D	90.5	Very high	85.7	Confident	44 Å²	44	40.3 Å²	40.3	24%	0.235	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	27.8	172.9	-87.1	-42.3	0	0	0	112.7	K449 M450 N455 K840 W844	K449-D453 PolarHBondContact O-N 2.68Å; K449-D453 VanDerWaalsContact O-N 3.09Å; M450-D453 CarbonylContact O-C 3.54Å; M450-D453 VanDerWaalsContact O-CA 3.24Å; M450-D453 WeakPolarHBondContact O-CA 3.36Å; M450-D453 WeakPolarHBondContact O-CB 3.45Å; M450-D453 PolarHBondContact O-N 3.04Å; D453-N455 PolarHBondContact O-N 3.3Å; D453-N455 VanDerWaalsContact O-N 3.14Å; D453-N455 PolarHBondContact O-ND2 3.07Å; D453-K840 HydrophobicContact CB-CD 3.72Å; D453-K840 WeakPolarHBondContact OD1-CD 3.39Å; D453-K840 WeakPolarHBondContact OD1-CE 3.46Å; D453-K840 IonicContact OD1-NZ 2.67Å; D453-K840 PolarHBondContact OD1-NZ 3.5Å; D453-W844 PolarHBondContact OD2-NE1 3.44Å
454	N	90.4	Very high	85.9	Confident	56 Å²	56	40.3 Å²	40.3	30%	0.299	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	18.8	177.8	-55	-22.6	0	0	0	116.1	M450 K452 L830 T831 D832	M450-N454 PolarHBondContact O-N 3.06Å; K452-N454 VanDerWaalsContact C-N 3.26Å; K452-N454 PolarHBondContact O-N 3.27Å; N454-L830 WeakPolarHBondContact O-CA 3.49Å; N454-T831 WeakPolarHBondContact CA-OG1 3.48Å; N454-T831 WeakPolarHBondContact CB-OG1 3.27Å; N454-T831 PolarHBondContact O-N 2.93Å; N454-T831 PolarHBondContact O-OG1 3.18Å; N454-D832 HydrophobicContact CB-CB 4.04Å; N454-D832 VanDerWaalsContact CB-CG 3.47Å; N454-D832 WeakPolarHBondContact CB-OD2 3.47Å; N454-D832 PolarHBondContact ND2-OD2 2.89Å
455	N	91.3	Very high	86.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	101.3	176.7	-76.4	-95.3	0	0	0	110.5	M450 M451 D453 V457 I828 L830 S837	M450-N455 CarbonylContact C-O 3.53Å; M450-N455 HydrophobicContact CB-CB 3.99Å; M450-N455 HydrophobicContact CE-CB 3.77Å; M450-N455 PolarHBondContact O-N 3.33Å; M451-N455 WeakPolarHBondContact CA-O 3.44Å; M451-N455 PolarHBondContact N-O 3.43Å; D453-N455 PolarHBondContact O-N 3.3Å; D453-N455 VanDerWaalsContact O-N 3.14Å; D453-N455 PolarHBondContact O-ND2 3.07Å; N455-V457 PolarHBondContact O-N 3.42Å; N455-I828 HydrophobicContact CB-CG2 4.25Å; N455-L830 WeakPolarHBondContact OD1-CD2 3.47Å; N455-S837 WeakPolarHBondContact ND2-CB 3.5Å; N455-S837 PolarHBondContact ND2-O 3.15Å; N455-S837 PolarHBondContact OD1-O 3.3Å; N455-S837 VanDerWaalsContact OD1-O 3.14Å
456	L	89.8	Confident	86.8	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	97.8	177.5	-176.1	69.1	0	0	0	110.1	I188 E191 M451 R458 I828 I829 T831	I188-L456 HydrophobicContact CG1-CD1 3.85Å; I188-L456 HydrophobicContact CG1-CD2 4.05Å; I188-L456 HydrophobicContact CG1-CG 4.08Å; E191-L456 WeakPolarHBondContact OE2-CD2 3.46Å; M451-L456 HydrophobicContact CG-CD1 4.14Å; M451-L456 HydrophobicContact SD-CD1 4.4Å; L456-R458 PolarHBondContact O-N 2.88Å; L456-I828 WeakPolarHBondContact O-CA 3.34Å; L456-I829 HydrophobicContact CB-CB 4.27Å; L456-I829 HydrophobicContact CD2-CD1 4.47Å; L456-I829 PolarHBondContact N-O 3.09Å; L456-I829 PolarHBondContact O-N 3.23Å; L456-T831 HydrophobicContact CB-CG2 3.95Å
457	V	88.4	Confident	87	Confident	6 Å²	6	39.3 Å²	39.3	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.9	-179.2	-176.5	0	0	0	0	110.4	V447 M450 N455 H459 C463 I828	V447-V457 HydrophobicContact CG1-CB 3.9Å; V447-V457 HydrophobicContact CG1-CG2 4.39Å; V447-V457 HydrophobicContact CG2-CB 3.94Å; V447-V457 HydrophobicContact CG2-CG1 4.08Å; V447-V457 HydrophobicContact CG2-CG2 4.11Å; M450-V457 HydrophobicContact CB-CG2 4.48Å; M450-V457 HydrophobicContact CE-CG2 3.54Å; M450-V457 HydrophobicContact SD-CG2 4Å; N455-V457 PolarHBondContact O-N 3.42Å; V457-H459 WeakPolarHBondContact CG1-O 3.45Å; V457-C463 HydrophobicContact CG1-CB 4.45Å; V457-I828 HydrophobicContact CG1-CG1 4.36Å; V457-I828 HydrophobicContact CG2-CD1 4.26Å; V457-I828 HydrophobicContact CG2-CG1 4.18Å; V457-I828 HydrophobicContact CG2-CG2 4.36Å
458	R	83.7	Confident	87.3	Confident	61 Å²	61	40 Å²	40	23%	0.23	19%	0.188	C	C	.	.	S	Bend	trans	-85.7	-43.1	174.1	-58.3	175.3	75	-129.9	9.7	111.5	L456 K823 E824 S826 D827 I829	L456-R458 PolarHBondContact O-N 2.88Å; R458-K823 PolarHBondContact NH1-O 2.83Å; R458-E824 PolarHBondContact NH1-O 3.14Å; R458-E824 IonicContact NH2-OE1 2.67Å; R458-E824 PolarHBondContact NH2-OE1 2.83Å; R458-S826 PolarHBondContact NH1-O 3.16Å; R458-D827 WeakPolarHBondContact CB-O 3.2Å; R458-D827 PolarHBondContact N-O 3.29Å; R458-I829 HydrophobicContact CG-CD1 4.38Å
459	H	79.9	Confident	87.7	Confident	69 Å²	69	34.6 Å²	34.6	32%	0.319	17%	0.165	S	C	.	.	S	Bend	trans	-111.7	113.7	-179.7	-66.1	-51.5	0	0	0	110.2	V457 D461 A462 D827	V457-H459 WeakPolarHBondContact CG1-O 3.45Å; H459-D461 VanDerWaalsContact C-N 3.33Å; H459-D461 PolarHBondContact O-N 3.14Å; H459-A462 VanDerWaalsContact O-CB 3.28Å; H459-A462 WeakPolarHBondContact O-CB 3.47Å; H459-A462 PolarHBondContact O-N 3Å; H459-A462 VanDerWaalsContact O-N 3.12Å; H459-D827 HydrophobicContact CB-CB 4.11Å; H459-D827 IonicContact CD2-OD1 2.69Å; H459-D827 PolarHBondContact CD2-OD1 3.34Å; H459-D827 IonicContact CG-OD1 3.71Å; H459-D827 PolarHBondContact N-O 3.15Å
460	L	78.2	Confident	88	Confident	55 Å²	55	31.7 Å²	31.7	29%	0.288	15%	0.154	S	C	.	.	H	α-helix	trans	-65.3	-36.2	-164.6	-57.5	173.8	0	0	0	112.7	F181 L443 V447 A462 C463	F181-L460 HydrophobicContact CD1-CD1 4.14Å; F181-L460 HydrophobicContact CD1-CD2 4.38Å; F181-L460 HydrophobicContact CE1-CD1 3.38Å; F181-L460 HydrophobicContact CE1-CD2 3.8Å; F181-L460 HydrophobicContact CE1-CG 4.25Å; F181-L460 HydrophobicContact CZ-CD1 3.74Å; L443-L460 WeakPolarHBondContact CD1-O 3.49Å; L443-L460 HydrophobicContact CD2-CB 3.67Å; L443-L460 HydrophobicContact CG-CB 4.18Å; V447-L460 HydrophobicContact CG2-CD2 4.05Å; L460-A462 PolarHBondContact O-N 3.43Å; L460-C463 VanDerWaalsContact O-CB 3.23Å; L460-C463 WeakPolarHBondContact O-CB 3.4Å; L460-C463 PolarHBondContact O-N 2.92Å; L460-C463 VanDerWaalsContact O-N 3.14Å
461	D	81.7	Confident	88.3	Confident	68 Å²	68	31.6 Å²	31.6	36%	0.364	15%	0.154	S	C	.	.	H	α-helix	trans	-63.1	-24.4	175.8	50.1	-55.7	0	0	0	113.6	H459 C463 E464 T465	H459-D461 VanDerWaalsContact C-N 3.33Å; H459-D461 PolarHBondContact O-N 3.14Å; D461-C463 VanDerWaalsContact C-N 3.29Å; D461-C463 PolarHBondContact O-N 3.28Å; D461-E464 PolarHBondContact O-N 3.25Å; D461-T465 WeakPolarHBondContact O-CB 3.21Å; D461-T465 PolarHBondContact O-N 3.07Å; D461-T465 PolarHBondContact O-OG1 2.93Å
462	A	87.6	Confident	88.9	Confident	2 Å²	2	29.1 Å²	29.1	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-67.6	-28.6	172.3	0	0	0	0	0	112.7	H459 L460 T465 M466 V810 D827 I828	H459-A462 VanDerWaalsContact O-CB 3.28Å; H459-A462 WeakPolarHBondContact O-CB 3.47Å; H459-A462 PolarHBondContact O-N 3Å; H459-A462 VanDerWaalsContact O-N 3.12Å; L460-A462 PolarHBondContact O-N 3.43Å; A462-T465 PolarHBondContact O-N 3.38Å; A462-M466 WeakPolarHBondContact O-CB 3.3Å; A462-M466 PolarHBondContact O-N 3.37Å; A462-V810 HydrophobicContact CB-CG1 4.21Å; A462-V810 HydrophobicContact CB-CG2 4.17Å; A462-D827 HydrophobicContact CB-CB 3.47Å; A462-D827 VanDerWaalsContact CB-CB 3.47Å; A462-I828 HydrophobicContact CB-CD1 4.48Å; A462-I828 HydrophobicContact CB-CG1 4.37Å
463	C	87.6	Confident	89.3	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-46.6	174.3	179.1	0	0	0	0	111.4	L443 V447 M450 V457 L460 D461 G845	L443-C463 HydrophobicContact CD1-CB 3.87Å; V447-C463 HydrophobicContact CG2-CB 4.37Å; M450-C463 HydrophobicContact SD-CB 4.38Å; M450-C463 PolarHBondContact SD-SG 2.95Å; V457-C463 HydrophobicContact CG1-CB 4.45Å; L460-C463 VanDerWaalsContact O-CB 3.23Å; L460-C463 WeakPolarHBondContact O-CB 3.4Å; L460-C463 PolarHBondContact O-N 2.92Å; L460-C463 VanDerWaalsContact O-N 3.14Å; D461-C463 VanDerWaalsContact C-N 3.29Å; D461-C463 PolarHBondContact O-N 3.28Å; C463-G845 WeakPolarHBondContact O-CA 3.49Å
464	E	87.8	Confident	89.4	Confident	7 Å²	7	18.6 Å²	18.6	3%	0.033	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-48.2	173.4	-176.7	-154.1	131.9	0	0	111.1	S360 L362 D461 M466 G467	S360-E464 WeakPolarHBondContact CB-OE2 3.28Å; S360-E464 VanDerWaalsContact OG-CD 3.23Å; S360-E464 PolarHBondContact OG-OE2 3.11Å; L362-E464 HydrophobicContact CB-CG 4.26Å; L362-E464 WeakPolarHBondContact CB-OE1 3.19Å; L362-E464 WeakPolarHBondContact CB-OE2 3.44Å; L362-E464 HydrophobicContact CD2-CG 4.48Å; L362-E464 PolarHBondContact N-OE1 2.86Å; L362-E464 PolarHBondContact N-OE2 3.03Å; D461-E464 PolarHBondContact O-N 3.25Å; E464-M466 VanDerWaalsContact C-N 3.3Å; E464-M466 PolarHBondContact O-N 2.96Å; E464-G467 PolarHBondContact O-N 3.18Å
465	T	89.4	Confident	89.4	Confident	14 Å²	14	16.4 Å²	16.4	9%	0.086	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-37.9	-172.9	-59	0	0	0	0	111.8	D461 A462 G467 N468 V791 D809 V810	D461-T465 WeakPolarHBondContact O-CB 3.21Å; D461-T465 PolarHBondContact O-N 3.07Å; D461-T465 PolarHBondContact O-OG1 2.93Å; A462-T465 PolarHBondContact O-N 3.38Å; T465-G467 PolarHBondContact O-N 3.41Å; T465-N468 PolarHBondContact O-N 3.32Å; T465-V791 HydrophobicContact CG2-CG1 3.94Å; T465-D809 HydrophobicContact CG2-CB 3.86Å; T465-V810 HydrophobicContact CG2-CG2 3.97Å
466	M	91.8	Very high	89.1	Confident	1 Å²	1	17 Å²	17	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-62	-26.3	176.6	-164.8	59.8	-171.8	0	0	113.6	A462 E464 N468 A469 I472 A793 V810 F812 I838 A841 V842	A462-M466 WeakPolarHBondContact O-CB 3.3Å; A462-M466 PolarHBondContact O-N 3.37Å; E464-M466 VanDerWaalsContact C-N 3.3Å; E464-M466 PolarHBondContact O-N 2.96Å; M466-N468 PolarHBondContact O-N 3.18Å; M466-N468 VanDerWaalsContact O-N 3.16Å; M466-A469 HydrophobicContact CE-CB 3.98Å; M466-A469 WeakPolarHBondContact O-CB 3.46Å; M466-A469 PolarHBondContact O-N 3.46Å; M466-A469 HydrophobicContact SD-CB 3.83Å; M466-I472 HydrophobicContact CE-CD1 4.27Å; M466-I472 HydrophobicContact CE-CG1 4.31Å; M466-A793 HydrophobicContact CE-CB 3.78Å; M466-A793 HydrophobicContact SD-CB 3.74Å; M466-V810 HydrophobicContact CB-CG2 4.16Å; M466-V810 HydrophobicContact SD-CB 4.22Å; M466-V810 HydrophobicContact SD-CG1 4.24Å; M466-V810 HydrophobicContact SD-CG2 4.23Å; M466-F812 HydrophobicContact CE-CE2 3.64Å; M466-F812 HydrophobicContact CE-CZ 3.88Å; M466-F812 HydrophobicContact CG-CE2 4.42Å; M466-F812 HydrophobicContact CG-CZ 4.07Å; M466-F812 HydrophobicContact SD-CE2 3.59Å; M466-F812 VanDerWaalsContact SD-CE2 3.59Å; M466-F812 HydrophobicContact SD-CZ 3.84Å; M466-I838 HydrophobicContact CE-CG2 3.66Å; M466-A841 HydrophobicContact CG-CB 4.21Å; M466-V842 HydrophobicContact CE-CG2 3.46Å; M466-V842 VanDerWaalsContact CE-CG2 3.46Å; M466-V842 HydrophobicContact CG-CG2 4.01Å; M466-V842 HydrophobicContact SD-CG2 4.45Å
467	G	91	Very high	88.6	Confident	2 Å²	2	18.4 Å²	18.4	2%	0.021	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.8	173.8	0	0	0	0	0	113.6	E464 T465 R846	E464-G467 PolarHBondContact O-N 3.18Å; T465-G467 PolarHBondContact O-N 3.41Å; G467-R846 VanDerWaalsContact O-CG 3.27Å; G467-R846 WeakPolarHBondContact O-CG 3.47Å; G467-R846 PolarHBondContact O-NE 2.98Å
468	N	91.3	Very high	87.8	Confident	15 Å²	15	18.1 Å²	18.1	8%	0.08	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	0.2	-179.9	-73.4	-70.2	0	0	0	114.6	T465 M466 T470 V791 Y917 G918	T465-N468 PolarHBondContact O-N 3.32Å; M466-N468 PolarHBondContact O-N 3.18Å; M466-N468 VanDerWaalsContact O-N 3.16Å; N468-T470 PolarHBondContact O-N 2.98Å; N468-V791 HydrophobicContact CB-CG2 4.17Å; N468-V791 WeakPolarHBondContact O-CB 3.49Å; N468-Y917 WeakPolarHBondContact OD1-CB 3.26Å; N468-G918 PolarHBondContact OD1-N 3.16Å
469	A	92.9	Very high	87.6	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.			trans	-51.9	132.9	-177.4	0	0	0	0	0	112.8	M466 I702	M466-A469 HydrophobicContact CE-CB 3.98Å; M466-A469 WeakPolarHBondContact O-CB 3.46Å; M466-A469 PolarHBondContact O-N 3.46Å; M466-A469 HydrophobicContact SD-CB 3.83Å; A469-I702 HydrophobicContact CB-CD1 4.46Å; A469-I702 WeakPolarHBondContact O-CG1 3.44Å
470	T	93.9	Very high	88	Confident	24 Å²	24	12 Å²	12	15%	0.147	7%	0.067	C	C	.	.			trans	-114.7	-24.5	177.5	60	0	0	0	0	112.3	N468 T703 Q790 V791 P916	N468-T470 PolarHBondContact O-N 2.98Å; T470-T703 PolarHBondContact O-N 3.46Å; T470-Q790 PolarHBondContact OG1-OE1 3.43Å; T470-V791 PolarHBondContact N-O 2.97Å; T470-V791 PolarHBondContact OG1-N 2.93Å; T470-V791 PolarHBondContact OG1-O 2.87Å; T470-P916 HydrophobicContact CG2-CG 3.88Å
471	A	94.8	Very high	88.3	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.6	175.8	0	0	0	0	0	111.2	T703 V791 V792 A793	A471-T703 WeakPolarHBondContact CA-O 3.45Å; A471-V791 PolarHBondContact N-O 3.22Å; A471-V792 HydrophobicContact CB-CG2 4.42Å; A471-A793 PolarHBondContact O-N 3.1Å
472	I	96.9	Very high	88.2	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.6	167.3	-64.5	165.7	0	0	0	107.2	M466 I702 T703 V704 R705 A793 T795 F835 I838	M466-I472 HydrophobicContact CE-CD1 4.27Å; M466-I472 HydrophobicContact CE-CG1 4.31Å; I472-I702 HydrophobicContact CD1-CG2 3.79Å; I472-I702 HydrophobicContact CG1-CG2 3.79Å; I472-T703 PolarHBondContact N-O 2.94Å; I472-T703 VanDerWaalsContact N-O 3.08Å; I472-V704 CarbonylContact O-C 3.51Å; I472-V704 WeakPolarHBondContact O-CA 3.09Å; I472-R705 PolarHBondContact O-N 3.35Å; I472-A793 CarbonylContact C-O 3.57Å; I472-A793 WeakPolarHBondContact CA-O 3.28Å; I472-A793 HydrophobicContact CG1-CB 4.2Å; I472-T795 HydrophobicContact CG2-CG2 4.3Å; I472-F835 HydrophobicContact CD1-CZ 4.4Å; I472-F835 HydrophobicContact CG2-CE2 4.25Å; I472-F835 HydrophobicContact CG2-CZ 4.33Å; I472-I838 HydrophobicContact CD1-CG2 4.09Å
473	C	96.1	Very high	87.6	Confident	3 Å²	3	10 Å²	10	2%	0.02	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	100.5	170.5	-70.5	0	0	0	0	108.5	V707 V777 A793 V794 T795	C473-V707 HydrophobicContact CB-CG2 4.22Å; C473-V777 HydrophobicContact CB-CG2 4.39Å; C473-A793 PolarHBondContact N-O 3.31Å; C473-V794 HydrophobicContact CB-CG2 4.31Å; C473-V794 CarbonylContact O-C 3.49Å; C473-V794 VanDerWaalsContact O-CA 3.32Å; C473-V794 WeakPolarHBondContact O-CA 3.46Å; C473-T795 PolarHBondContact O-N 3.05Å
474	S	93.6	Very high	87.2	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.007	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.5	-175.8	-172.1	0	0	0	0	110.8	T479 R705 M706 V707 T795	S474-T479 WeakPolarHBondContact OG-CG2 3.47Å; S474-R705 PolarHBondContact N-O 3.48Å; S474-M706 WeakPolarHBondContact O-CA 3.43Å; S474-V707 PolarHBondContact O-N 2.9Å; S474-T795 WeakPolarHBondContact CA-OG1 3.32Å; S474-T795 PolarHBondContact OG-OG1 2.93Å
475	D	89	Confident	87	Confident	11 Å²	11	14.1 Å²	14.1	6%	0.059	7%	0.072	C	C	.	.			trans	-67.2	162.6	154.9	-158.8	87	0	0	0	109.7	T477 L480 V707 K773 T795	D475-T477 PolarHBondContact OD2-N 3.26Å; D475-L480 WeakPolarHBondContact O-CG 3.27Å; D475-V707 WeakPolarHBondContact CA-O 3.26Å; D475-V707 VanDerWaalsContact OD1-O 3.05Å; D475-K773 IonicContact OD1-NZ 2.63Å; D475-K773 PolarHBondContact OD1-NZ 3.46Å; D475-T795 PolarHBondContact N-OG1 3.29Å
476	K	86.5	Confident	87	Confident	13 Å²	13	14.8 Å²	14.8	6%	0.057	8%	0.077	C	C	.	.	S	Bend	trans	-85.7	-46.5	175.1	-177.8	-117	58.7	-170.2	0	111.2	L480 T481 M706 T708 D710 I718	K476-L480 PolarHBondContact O-N 2.89Å; K476-L480 VanDerWaalsContact O-N 3.12Å; K476-T481 HydrophobicContact CD-CG2 4.03Å; K476-T481 HydrophobicContact CG-CG2 4.13Å; K476-T481 PolarHBondContact O-N 2.93Å; K476-T481 VanDerWaalsContact O-N 3.1Å; K476-T481 PolarHBondContact O-OG1 2.87Å; K476-T481 VanDerWaalsContact O-OG1 3.1Å; K476-M706 HydrophobicContact CB-CE 4.28Å; K476-M706 HydrophobicContact CB-CG 4.1Å; K476-M706 HydrophobicContact CB-SD 3.92Å; K476-M706 HydrophobicContact CG-CE 4.04Å; K476-M706 HydrophobicContact CG-SD 4.07Å; K476-T708 HydrophobicContact CB-CG2 4.33Å; K476-D710 WeakPolarHBondContact CD-OD2 3.35Å; K476-D710 WeakPolarHBondContact CE-OD2 3.26Å; K476-D710 IonicContact NZ-OD2 3.8Å; K476-D710 PolarHBondContact NZ-OD2 2.88Å; K476-I718 HydrophobicContact CD-CG1 4.25Å; K476-I718 HydrophobicContact CD-CG2 4.44Å; K476-I718 HydrophobicContact CG-CB 4.36Å; K476-I718 HydrophobicContact CG-CG1 4.48Å; K476-I718 HydrophobicContact CG-CG2 3.82Å
477	T	78.4	Confident	87.1	Confident	35 Å²	35	15.1 Å²	15.1	22%	0.215	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	145.6	-175.4	-43.6	0	0	0	0	109.4	D475 T479	D475-T477 PolarHBondContact OD2-N 3.26Å; T477-T479 PolarHBondContact O-N 2.77Å
478	G	72.4	Confident	87.1	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-53.9	-175.5	0	0	0	0	0	112.9	R687	G478-R687 PolarHBondContact O-NH2 2.9Å
479	T	79.9	Confident	87.2	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-61.7	-171.6	-52.2	0	0	0	0	113.4	S474 T477 R687 T795 M814 F835	S474-T479 WeakPolarHBondContact OG-CG2 3.47Å; T477-T479 PolarHBondContact O-N 2.77Å; T479-R687 PolarHBondContact O-NE 2.9Å; T479-T795 HydrophobicContact CG2-CG2 4.14Å; T479-T795 WeakPolarHBondContact CG2-OG1 3.34Å; T479-T795 PolarHBondContact OG1-OG1 3.14Å; T479-T795 VanDerWaalsContact OG1-OG1 3.05Å; T479-M814 HydrophobicContact CG2-CE 4.09Å; T479-M814 WeakPolarHBondContact OG1-CE 3.42Å; T479-F835 HydrophobicContact CG2-CD2 3.81Å
480	L	87.6	Confident	87.3	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-31.3	-172.1	-61.5	177.9	0	0	0	112.3	D475 K476 R687 V690 I694 M706 I724 F835	D475-L480 WeakPolarHBondContact O-CG 3.27Å; K476-L480 PolarHBondContact O-N 2.89Å; K476-L480 VanDerWaalsContact O-N 3.12Å; L480-R687 PolarHBondContact O-N 2.97Å; L480-R687 VanDerWaalsContact O-N 3.1Å; L480-V690 HydrophobicContact CB-CG1 4.5Å; L480-V690 HydrophobicContact CD2-CG1 3.85Å; L480-V690 HydrophobicContact CD2-CG2 4.48Å; L480-I694 HydrophobicContact CD2-CD1 4.17Å; L480-M706 HydrophobicContact CD1-CE 4.03Å; L480-I724 HydrophobicContact CD1-CD1 4.02Å; L480-F835 HydrophobicContact CD2-CD2 3.62Å; L480-F835 HydrophobicContact CD2-CE2 3.86Å; L480-F835 HydrophobicContact CD2-CG 4.15Å
481	T	85.4	Confident	87.3	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-98.8	167.1	174.8	59.9	0	0	0	0	111.6	K476 N483 D684 P685 R687 I718	K476-T481 HydrophobicContact CD-CG2 4.03Å; K476-T481 HydrophobicContact CG-CG2 4.13Å; K476-T481 PolarHBondContact O-N 2.93Å; K476-T481 VanDerWaalsContact O-N 3.1Å; K476-T481 PolarHBondContact O-OG1 2.87Å; K476-T481 VanDerWaalsContact O-OG1 3.1Å; T481-N483 PolarHBondContact O-N 3.14Å; T481-D684 VanDerWaalsContact CB-CG 3.41Å; T481-D684 WeakPolarHBondContact CB-OD2 3.34Å; T481-D684 HydrophobicContact CG2-CB 4.4Å; T481-D684 VanDerWaalsContact CG2-O 3.23Å; T481-D684 WeakPolarHBondContact CG2-O 3.43Å; T481-D684 VanDerWaalsContact OG1-CG 3.26Å; T481-D684 PolarHBondContact OG1-OD2 2.95Å; T481-P685 CarbonylContact C-O 3.56Å; T481-P685 WeakPolarHBondContact CA-O 3.4Å; T481-P685 WeakPolarHBondContact CB-O 3.23Å; T481-R687 PolarHBondContact O-NE 3.07Å; T481-I718 HydrophobicContact CG2-CD1 4.35Å; T481-I718 HydrophobicContact CG2-CG2 4.39Å
482	M	79.5	Confident	87.2	Confident	52 Å²	52	17 Å²	17	26%	0.256	9%	0.087	S	C	.	.			trans	-71	-8	177	-66	-171.4	-178.4	0	0	113.8	R484 L537 P685 R687 P688	M482-R484 HydrophobicContact CB-CB 3.97Å; M482-R484 PolarHBondContact O-N 3.24Å; M482-L537 HydrophobicContact SD-CD1 3.94Å; M482-P685 HydrophobicContact CB-CG 4.29Å; M482-P685 HydrophobicContact CG-CG 4.17Å; M482-P685 PolarHBondContact N-O 3.39Å; M482-P685 HydrophobicContact SD-CG 3.94Å; M482-R687 HydrophobicContact CG-CG 4.09Å; M482-P688 HydrophobicContact CE-CG 4.3Å
483	N	75	Confident	86.7	Confident	32 Å²	32	18.2 Å²	18.2	17%	0.171	9%	0.093	C	C	.	.	S	Bend	trans	53.9	32.5	-169.9	-153.2	-15	0	0	0	111.8	T481 K544 D684	T481-N483 PolarHBondContact O-N 3.14Å; N483-K544 WeakPolarHBondContact O-CD 3.4Å; N483-K544 PolarHBondContact O-NZ 3.05Å; N483-K544 PolarHBondContact OD1-NZ 2.94Å; N483-D684 VanDerWaalsContact CA-OD1 3.25Å; N483-D684 WeakPolarHBondContact CA-OD1 2.91Å; N483-D684 WeakPolarHBondContact CA-OD2 3.35Å; N483-D684 PolarHBondContact N-OD1 3.31Å
484	R	78.3	Confident	86.3	Confident	56 Å²	56	21.6 Å²	21.6	21%	0.211	11%	0.108	C	C	.	.			trans	-138.2	93.4	-171.7	-176	-169.3	177.7	-142.4	-6.3	108.3	M482 T486 H540 D684 P685	M482-R484 HydrophobicContact CB-CB 3.97Å; M482-R484 PolarHBondContact O-N 3.24Å; R484-T486 PolarHBondContact O-N 3.32Å; R484-H540 VanDerWaalsContact CG-CE1 3.47Å; R484-H540 WeakPolarHBondContact CG-CE1 3.43Å; R484-H540 PolarHBondContact NE-CE1 3.45Å; R484-H540 PolarHBondContact NE-NE2 3.07Å; R484-H540 PolarHBondContact NH2-NE2 3.01Å; R484-D684 PolarHBondContact N-OD1 3Å; R484-P685 WeakPolarHBondContact O-CD 3.27Å
485	M	83.6	Confident	86.1	Confident	37 Å²	37	27 Å²	27	18%	0.182	13%	0.132	C	C	.	.			trans	-56.1	134.3	177.3	-53.5	-60.9	-62.5	0	0	111.1	H540 K544 A548 I682 E683 D684	M485-H540 PolarHBondContact O-CE1 2.83Å; M485-K544 HydrophobicContact CB-CB 4.35Å; M485-K544 HydrophobicContact CG-CB 3.76Å; M485-A548 HydrophobicContact CB-CB 3.88Å; M485-A548 VanDerWaalsContact O-CB 3.28Å; M485-A548 WeakPolarHBondContact O-CB 3.26Å; M485-I682 HydrophobicContact CB-CG2 3.86Å; M485-I682 HydrophobicContact CE-CG2 3.8Å; M485-E683 CarbonylContact C-O 3.59Å; M485-E683 VanDerWaalsContact CA-O 3.3Å; M485-E683 WeakPolarHBondContact CA-O 3.48Å; M485-D684 HydrophobicContact SD-CB 3.83Å
486	T	89.1	Confident	86.2	Confident	29 Å²	29	29.2 Å²	29.2	18%	0.178	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.2	177.2	52.9	0	0	0	0	110.4	R484 V488 I682 E683 P685	R484-T486 PolarHBondContact O-N 3.32Å; T486-V488 PolarHBondContact O-N 3.15Å; T486-I682 WeakPolarHBondContact O-CA 3.49Å; T486-I682 WeakPolarHBondContact O-CG2 3.44Å; T486-E683 PolarHBondContact N-O 3.45Å; T486-E683 PolarHBondContact O-N 2.78Å; T486-P685 HydrophobicContact CG2-CG 4.42Å
487	V	93.4	Very high	86.4	Confident	8 Å²	8	29.9 Å²	29.9	5%	0.048	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	117.5	167.4	175.3	0	0	0	0	108.3	Q489 V500 L549 L552 V680 I682	V487-Q489 WeakPolarHBondContact CG1-O 3.1Å; V487-V500 HydrophobicContact CG1-CG2 4.2Å; V487-V500 VanDerWaalsContact O-CG2 3.26Å; V487-V500 WeakPolarHBondContact O-CG2 3.44Å; V487-L549 HydrophobicContact CG2-CD2 4.33Å; V487-L552 HydrophobicContact CB-CB 4.17Å; V487-L552 HydrophobicContact CB-CD1 4.24Å; V487-L552 HydrophobicContact CB-CD2 4.46Å; V487-L552 HydrophobicContact CG1-CD1 4.04Å; V487-L552 HydrophobicContact CG1-CD2 4.21Å; V487-L552 HydrophobicContact CG2-CB 3.97Å; V487-L552 HydrophobicContact CG2-CD2 4.16Å; V487-V680 HydrophobicContact CG1-CB 3.94Å; V487-V680 HydrophobicContact CG1-CG1 4.15Å; V487-V680 HydrophobicContact CG2-CB 4.26Å; V487-V680 HydrophobicContact CG2-CG2 4.35Å; V487-I682 HydrophobicContact CG2-CG1 4.09Å
488	V	91.3	Very high	86.9	Confident	41 Å²	41	34.2 Å²	34.2	25%	0.248	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-38.4	178.4	-179.4	0	0	0	0	110.6	T486 K499 V500 G681 E683	T486-V488 PolarHBondContact O-N 3.15Å; V488-K499 CarbonylContact O-C 3.56Å; V488-K499 VanDerWaalsContact O-CA 3.27Å; V488-K499 WeakPolarHBondContact O-CA 3.14Å; V488-V500 PolarHBondContact O-N 3.37Å; V488-G681 PolarHBondContact N-O 3.43Å; V488-E683 HydrophobicContact CB-CB 4.48Å; V488-E683 HydrophobicContact CG2-CB 3.55Å
489	Q	93.9	Very high	87.7	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.2	-178.2	-56.5	-166.2	0.9	0	0	111.5	V487 H496 Y497 M640 E643 L645 V680 G681	V487-Q489 WeakPolarHBondContact CG1-O 3.1Å; Q489-H496 PolarHBondContact OE1-CE1 2.65Å; Q489-H496 PolarHBondContact OE1-NE2 3.33Å; Q489-Y497 WeakPolarHBondContact CA-O 3.38Å; Q489-Y497 WeakPolarHBondContact CB-O 3.4Å; Q489-M640 HydrophobicContact CB-CE 3.94Å; Q489-E643 PolarHBondContact NE2-OE2 3.26Å; Q489-L645 HydrophobicContact CB-CD1 4.07Å; Q489-L645 VanDerWaalsContact CD-CD1 3.5Å; Q489-L645 HydrophobicContact CG-CD1 3.67Å; Q489-V680 WeakPolarHBondContact O-CA 3.39Å; Q489-G681 PolarHBondContact N-O 3.06Å; Q489-G681 PolarHBondContact O-N 3.09Å
490	A	94.6	Very high	88	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	143.2	175.8	0	0	0	0	0	111.3	I492 Y497 V679 V680	A490-I492 HydrophobicContact CB-CD1 3.86Å; A490-I492 HydrophobicContact CB-CG1 3.9Å; A490-Y497 PolarHBondContact N-O 2.96Å; A490-Y497 WeakPolarHBondContact O-CB 3.41Å; A490-Y497 PolarHBondContact O-N 2.66Å; A490-V679 CarbonylContact C-O 3.57Å; A490-V680 HydrophobicContact CB-CG1 4.14Å
491	Y	94.1	Very high	88.1	Confident	30 Å²	30	44 Å²	44	12%	0.118	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.2	164.3	-174.6	-91.8	0	0	0	107.5	E494 K495 H496 I614 I632 V636 A678 V679	Y491-E494 WeakPolarHBondContact OH-CA 3.36Å; Y491-E494 PolarHBondContact OH-O 2.84Å; Y491-K495 WeakPolarHBondContact CA-O 3.41Å; Y491-K495 VanDerWaalsContact CD2-C 3.47Å; Y491-H496 HydrophobicContact CD2-CB 3.98Å; Y491-I614 HydrophobicContact CE1-CD1 4.29Å; Y491-I632 HydrophobicContact CE1-CD1 3.7Å; Y491-I632 HydrophobicContact CE1-CG1 4.46Å; Y491-V636 HydrophobicContact CD2-CB 4.45Å; Y491-V636 HydrophobicContact CD2-CG1 3.94Å; Y491-V636 HydrophobicContact CD2-CG2 3.66Å; Y491-V636 HydrophobicContact CE2-CG2 3.83Å; Y491-V636 HydrophobicContact CG-CG1 4.05Å; Y491-V636 HydrophobicContact CG-CG2 4.35Å; Y491-A678 CarbonylContact O-C 3.29Å; Y491-A678 WeakPolarHBondContact O-CA 3.46Å; Y491-A678 WeakPolarHBondContact O-CB 3.37Å; Y491-V679 PolarHBondContact N-O 3.42Å; Y491-V679 PolarHBondContact O-N 3.37Å
492	I	91.7	Very high	88.3	Confident	2 Å²	2	49 Å²	49	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	156.6	-176	-49.6	178.4	0	0	0	105.5	A490 E494 K495 I506 I510 L514 A678	A490-I492 HydrophobicContact CB-CD1 3.86Å; A490-I492 HydrophobicContact CB-CG1 3.9Å; I492-E494 PolarHBondContact O-N 3.09Å; I492-K495 PolarHBondContact N-O 2.97Å; I492-K495 PolarHBondContact O-N 3.2Å; I492-I506 HydrophobicContact CD1-CD1 3.78Å; I492-I506 HydrophobicContact CG2-CG2 4.29Å; I492-I510 HydrophobicContact CG2-CG2 3.74Å; I492-L514 HydrophobicContact CD1-CD1 4.09Å; I492-L514 HydrophobicContact CG2-CD1 4.45Å; I492-A678 HydrophobicContact CG1-CB 4.04Å
493	N	87.4	Confident	88.7	Confident	25 Å²	25	47.3 Å²	47.3	13%	0.134	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	42.7	168.9	73.9	-23.9	0	0	0	116	K495 Y497 A505 I510	N493-K495 VanDerWaalsContact C-N 3.27Å; N493-K495 PolarHBondContact O-N 3.42Å; N493-Y497 WeakPolarHBondContact OD1-CE2 3.34Å; N493-Y497 PolarHBondContact OD1-OH 2.95Å; N493-A505 PolarHBondContact ND2-O 3.49Å; N493-I510 HydrophobicContact CB-CD1 3.85Å
494	E	86.6	Confident	89.2	Confident	74 Å²	74	52.7 Å²	52.7	35%	0.346	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	11.8	-175.1	-62.1	-174.7	-164.9	0	0	116.7	Y491 I492 S616 K622	Y491-E494 WeakPolarHBondContact OH-CA 3.36Å; Y491-E494 PolarHBondContact OH-O 2.84Å; I492-E494 PolarHBondContact O-N 3.09Å; E494-S616 WeakPolarHBondContact OE1-CA 3.22Å; E494-S616 VanDerWaalsContact OE1-CB 3.31Å; E494-S616 WeakPolarHBondContact OE1-CB 3.11Å; E494-S616 PolarHBondContact OE1-OG 3.3Å; E494-K622 WeakPolarHBondContact OE1-CD 3.47Å; E494-K622 IonicContact OE1-NZ 3.82Å; E494-K622 PolarHBondContact OE1-NZ 3.03Å; E494-K622 IonicContact OE2-NZ 3.19Å; E494-K622 PolarHBondContact OE2-NZ 3.27Å
495	K	89.6	Confident	89.6	Confident	115 Å²	115	52.1 Å²	52.1	50%	0.5	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.6	-173.7	177.8	172.8	167.9	-175.7	0	113.7	Y491 I492 N493 Y497	Y491-K495 WeakPolarHBondContact CA-O 3.41Å; Y491-K495 VanDerWaalsContact CD2-C 3.47Å; I492-K495 PolarHBondContact N-O 2.97Å; I492-K495 PolarHBondContact O-N 3.2Å; N493-K495 VanDerWaalsContact C-N 3.27Å; N493-K495 PolarHBondContact O-N 3.42Å; K495-Y497 HydrophobicContact CB-CD2 4.4Å; K495-Y497 HydrophobicContact CB-CE2 3.79Å; K495-Y497 HydrophobicContact CD-CE1 4.1Å; K495-Y497 HydrophobicContact CD-CE2 3.88Å; K495-Y497 HydrophobicContact CG-CD2 4.08Å; K495-Y497 HydrophobicContact CG-CE2 3.69Å; K495-Y497 VanDerWaalsContact O-CD2 3.31Å; K495-Y497 WeakPolarHBondContact O-CD2 3.48Å
496	H	91.9	Very high	89.8	Confident	56 Å²	56	50.8 Å²	50.8	26%	0.259	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.1	171.9	-175.7	-163.8	0	0	0	111	Q489 Y491 M640	Q489-H496 PolarHBondContact OE1-CE1 2.65Å; Q489-H496 PolarHBondContact OE1-NE2 3.33Å; Y491-H496 HydrophobicContact CD2-CB 3.98Å; H496-M640 WeakPolarHBondContact NE2-CE 3.36Å
497	Y	91.4	Very high	89.9	Confident	27 Å²	27	50.7 Å²	50.7	11%	0.106	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119	175.1	-62.8	-101.5	0	0	0	109.9	Q489 A490 N493 K495 K499 P501 A505	Q489-Y497 WeakPolarHBondContact CA-O 3.38Å; Q489-Y497 WeakPolarHBondContact CB-O 3.4Å; A490-Y497 PolarHBondContact N-O 2.96Å; A490-Y497 WeakPolarHBondContact O-CB 3.41Å; A490-Y497 PolarHBondContact O-N 2.66Å; N493-Y497 WeakPolarHBondContact OD1-CE2 3.34Å; N493-Y497 PolarHBondContact OD1-OH 2.95Å; K495-Y497 HydrophobicContact CB-CD2 4.4Å; K495-Y497 HydrophobicContact CB-CE2 3.79Å; K495-Y497 HydrophobicContact CD-CE1 4.1Å; K495-Y497 HydrophobicContact CD-CE2 3.88Å; K495-Y497 HydrophobicContact CG-CD2 4.08Å; K495-Y497 HydrophobicContact CG-CE2 3.69Å; K495-Y497 VanDerWaalsContact O-CD2 3.31Å; K495-Y497 WeakPolarHBondContact O-CD2 3.48Å; Y497-K499 VanDerWaalsContact C-N 3.27Å; Y497-K499 WeakPolarHBondContact CB-O 3.35Å; Y497-K499 PolarHBondContact O-N 2.95Å; Y497-P501 HydrophobicContact CD1-CB 3.65Å; Y497-P501 HydrophobicContact CD1-CG 4.09Å; Y497-P501 HydrophobicContact CE1-CB 3.63Å; Y497-P501 HydrophobicContact CE1-CG 4.19Å; Y497-P501 HydrophobicContact CG-CB 4.3Å; Y497-P501 HydrophobicContact CG-CG 4.24Å; Y497-A505 PolarHBondContact OH-O 2.8Å
498	K	88.8	Confident	89.7	Confident	126 Å²	126	55.2 Å²	55.2	55%	0.548	28%	0.277	S	S	.	.	S	Bend	trans	-78.7	-4.3	177.9	-71.1	-149.6	173.3	-154.7	0	115.1	E643	K498-E643 IonicContact NZ-OE1 3.19Å; K498-E643 PolarHBondContact NZ-OE1 3.18Å
499	K	88.3	Confident	89.5	Confident	166 Å²	166	58.1 Å²	58.1	72%	0.722	29%	0.291	S	S	*	.	S	Bend	trans	-139.2	148.5	167.3	-177	-174.3	173.1	-166.8	0	106.5	V488 Y497	V488-K499 CarbonylContact O-C 3.56Å; V488-K499 VanDerWaalsContact O-CA 3.27Å; V488-K499 WeakPolarHBondContact O-CA 3.14Å; Y497-K499 VanDerWaalsContact C-N 3.27Å; Y497-K499 WeakPolarHBondContact CB-O 3.35Å; Y497-K499 PolarHBondContact O-N 2.95Å
500	V	87.1	Confident	89.4	Confident	27 Å²	27	57.8 Å²	57.8	16%	0.164	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-46.8	126.4	169.6	178	0	0	0	0	110.2	V487 V488 L552 D555 L556	V487-V500 HydrophobicContact CG1-CG2 4.2Å; V487-V500 VanDerWaalsContact O-CG2 3.26Å; V487-V500 WeakPolarHBondContact O-CG2 3.44Å; V488-V500 PolarHBondContact O-N 3.37Å; V500-L552 HydrophobicContact CB-CD1 4.4Å; V500-L552 HydrophobicContact CG1-CD1 3.62Å; V500-L552 HydrophobicContact CG2-CD1 3.86Å; V500-D555 HydrophobicContact CG1-CB 4.38Å; V500-L556 HydrophobicContact CG1-CD2 4.41Å
501	P	89.4	Confident	89.3	Confident	12 Å²	12	58.3 Å²	58.3	8%	0.078	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-76.6	156	178.1	30.6	-34.4	0	0	0	112.3	Y497 A505 I506 L556	Y497-P501 HydrophobicContact CD1-CB 3.65Å; Y497-P501 HydrophobicContact CD1-CG 4.09Å; Y497-P501 HydrophobicContact CE1-CB 3.63Å; Y497-P501 HydrophobicContact CE1-CG 4.19Å; Y497-P501 HydrophobicContact CG-CB 4.3Å; Y497-P501 HydrophobicContact CG-CG 4.24Å; P501-A505 HydrophobicContact CB-CB 4.31Å; P501-I506 HydrophobicContact CG-CD1 4.1Å; P501-I506 HydrophobicContact CG-CG1 4.24Å; P501-L556 WeakPolarHBondContact O-CD2 3.43Å
502	E	89	Confident	89.1	Confident	107 Å²	107	60.2 Å²	60.2	50%	0.5	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-65.1	150.3	167.4	-64.5	-67.6	150.3	0	0	111	E504 A505 K557	E502-E504 VanDerWaalsContact CB-OE2 3.3Å; E502-E504 WeakPolarHBondContact CB-OE2 3.21Å; E502-E504 PolarHBondContact O-N 3.15Å; E502-E504 VanDerWaalsContact O-N 3.17Å; E502-A505 WeakPolarHBondContact O-CB 3.29Å; E502-A505 PolarHBondContact O-N 2.88Å; E502-K557 VanDerWaalsContact OE2-CE 3.23Å; E502-K557 WeakPolarHBondContact OE2-CE 3.29Å; E502-K557 IonicContact OE2-NZ 3.37Å; E502-K557 PolarHBondContact OE2-NZ 3.5Å
503	P	87.3	Confident	89.2	Confident	15 Å²	15	62.8 Å²	62.8	10%	0.097	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-60.7	-29.6	-172.4	-25.4	36.9	0	0	0	114.5	A505 I506 L556 K557	P503-A505 PolarHBondContact O-N 3.16Å; P503-I506 PolarHBondContact O-N 3.46Å; P503-I506 VanDerWaalsContact O-N 3.16Å; P503-L556 HydrophobicContact CG-CD2 4.41Å; P503-L556 WeakPolarHBondContact CG-O 3.25Å; P503-K557 HydrophobicContact CG-CB 4.18Å; P503-K557 HydrophobicContact CG-CD 3.82Å; P503-K557 HydrophobicContact CG-CG 3.9Å
504	E	85.9	Confident	89.5	Confident	145 Å²	145	61.7 Å²	61.7	68%	0.678	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-69.6	-13.4	-179	-49.6	76	-161.9	0	0	112.1	E502 K557	E502-E504 VanDerWaalsContact CB-OE2 3.3Å; E502-E504 WeakPolarHBondContact CB-OE2 3.21Å; E502-E504 PolarHBondContact O-N 3.15Å; E502-E504 VanDerWaalsContact O-N 3.17Å; E504-K557 IonicContact OE1-NZ 3.45Å; E504-K557 PolarHBondContact OE1-NZ 3.2Å
505	A	87	Confident	89.8	Confident	45 Å²	45	58.9 Å²	58.9	37%	0.372	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-89.4	-1	175.2	0	0	0	0	0	114.2	N493 Y497 P501 E502 P503	N493-A505 PolarHBondContact ND2-O 3.49Å; Y497-A505 PolarHBondContact OH-O 2.8Å; P501-A505 HydrophobicContact CB-CB 4.31Å; E502-A505 WeakPolarHBondContact O-CB 3.29Å; E502-A505 PolarHBondContact O-N 2.88Å; P503-A505 PolarHBondContact O-N 3.16Å
506	I	88.8	Confident	90	Very high	8 Å²	8	55 Å²	55	4%	0.041	29%	0.287	C	S	.	.	S	Bend	trans	-112.5	127.5	177	-56.1	-179.5	0	0	0	109.4	I492 P501 P503 I510 L511 L556	I492-I506 HydrophobicContact CD1-CD1 3.78Å; I492-I506 HydrophobicContact CG2-CG2 4.29Å; P501-I506 HydrophobicContact CG-CD1 4.1Å; P501-I506 HydrophobicContact CG-CG1 4.24Å; P503-I506 PolarHBondContact O-N 3.46Å; P503-I506 VanDerWaalsContact O-N 3.16Å; I506-I510 HydrophobicContact CG2-CB 4.02Å; I506-I510 HydrophobicContact CG2-CG2 4.12Å; I506-L511 HydrophobicContact CG2-CB 4.03Å; I506-L556 HydrophobicContact CD1-CD1 4.02Å; I506-L556 HydrophobicContact CD1-CD2 3.69Å
507	P	89.9	Confident	90.1	Very high	27 Å²	27	52.6 Å²	52.6	18%	0.175	28%	0.278	C	S	.	.			trans	-55.7	135.6	174.1	-24.8	32.4	0	0	0	112.1	N509 I510 L511 A617	P507-N509 PolarHBondContact O-N 3.01Å; P507-I510 HydrophobicContact CB-CD1 4.24Å; P507-I510 HydrophobicContact CB-CG1 4.2Å; P507-I510 HydrophobicContact CG-CD1 3.9Å; P507-I510 HydrophobicContact CG-CG1 4.4Å; P507-I510 PolarHBondContact O-N 2.74Å; P507-L511 PolarHBondContact O-N 3.38Å; P507-A617 WeakPolarHBondContact CG-O 3.43Å
508	P	88.8	Confident	90.3	Very high	104 Å²	104	51.5 Å²	51.5	68%	0.675	27%	0.274	S	S	*	.	H	α-helix	trans	-53	-36	-174.6	-30.7	36	0	0	0	114.9	L511 S512	P508-L511 PolarHBondContact O-N 3.01Å; P508-S512 WeakPolarHBondContact O-CB 3.46Å; P508-S512 PolarHBondContact O-N 3.44Å
509	N	88.9	Confident	90.6	Very high	102 Å²	102	45.5 Å²	45.5	55%	0.545	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-45.4	176.6	-62.7	-6.9	0	0	0	111.7	P507 S512 Y513	P507-N509 PolarHBondContact O-N 3.01Å; N509-S512 PolarHBondContact O-N 3.46Å; N509-Y513 WeakPolarHBondContact O-CD2 3.19Å; N509-Y513 PolarHBondContact O-N 2.95Å; N509-Y513 VanDerWaalsContact O-N 3.09Å
510	I	90.7	Very high	90.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-68.3	-39.7	178.5	-55.2	-178	0	0	0	110.1	I492 N493 I506 P507 S512 Y513 L514 L615 I677	I492-I510 HydrophobicContact CG2-CG2 3.74Å; N493-I510 HydrophobicContact CB-CD1 3.85Å; I506-I510 HydrophobicContact CG2-CB 4.02Å; I506-I510 HydrophobicContact CG2-CG2 4.12Å; P507-I510 HydrophobicContact CB-CD1 4.24Å; P507-I510 HydrophobicContact CB-CG1 4.2Å; P507-I510 HydrophobicContact CG-CD1 3.9Å; P507-I510 HydrophobicContact CG-CG1 4.4Å; P507-I510 PolarHBondContact O-N 2.74Å; I510-S512 VanDerWaalsContact C-N 3.32Å; I510-S512 PolarHBondContact O-N 2.91Å; I510-Y513 PolarHBondContact O-N 3.09Å; I510-L514 HydrophobicContact CG2-CD1 4.25Å; I510-L514 WeakPolarHBondContact O-CG 3.36Å; I510-L514 PolarHBondContact O-N 3.18Å; I510-L615 HydrophobicContact CD1-CB 4.27Å; I510-L615 HydrophobicContact CG1-CB 4.44Å; I510-L615 HydrophobicContact CG1-CD1 4.14Å; I510-L615 HydrophobicContact CG2-CD1 4.36Å; I510-I677 HydrophobicContact CG2-CG2 4.26Å
511	L	91.9	Very high	90.9	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-41.4	174.9	-173.8	61.3	0	0	0	111.4	I506 P507 P508 L514 V515 L556	I506-L511 HydrophobicContact CG2-CB 4.03Å; P507-L511 PolarHBondContact O-N 3.38Å; P508-L511 PolarHBondContact O-N 3.01Å; L511-L514 PolarHBondContact O-N 3.43Å; L511-V515 HydrophobicContact CD1-CG2 4.27Å; L511-V515 HydrophobicContact CG-CG2 4.37Å; L511-V515 WeakPolarHBondContact O-CB 3.46Å; L511-V515 VanDerWaalsContact O-CG2 3.22Å; L511-V515 WeakPolarHBondContact O-CG2 3.47Å; L511-V515 PolarHBondContact O-N 2.81Å; L511-L556 HydrophobicContact CD1-CB 4.31Å; L511-L556 HydrophobicContact CD1-CD1 4.05Å
512	S	91.6	Very high	90.8	Very high	70 Å²	70	36 Å²	36	49%	0.49	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-45.5	175.3	-172.9	0	0	0	0	112.5	P508 N509 I510 L514 V515 T516	P508-S512 WeakPolarHBondContact O-CB 3.46Å; P508-S512 PolarHBondContact O-N 3.44Å; N509-S512 PolarHBondContact O-N 3.46Å; I510-S512 VanDerWaalsContact C-N 3.32Å; I510-S512 PolarHBondContact O-N 2.91Å; S512-L514 VanDerWaalsContact C-N 3.32Å; S512-L514 PolarHBondContact O-N 3.27Å; S512-V515 PolarHBondContact O-N 3.06Å; S512-T516 PolarHBondContact O-N 3.37Å; S512-T516 PolarHBondContact O-OG1 3.12Å
513	Y	92.5	Very high	90.3	Very high	56 Å²	56	32.4 Å²	32.4	22%	0.22	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-35.8	174.4	-72.8	-60.2	0	0	0	113.1	N509 I510 G517 L615 F652	N509-Y513 WeakPolarHBondContact O-CD2 3.19Å; N509-Y513 PolarHBondContact O-N 2.95Å; N509-Y513 VanDerWaalsContact O-N 3.09Å; I510-Y513 PolarHBondContact O-N 3.09Å; Y513-G517 WeakPolarHBondContact O-CA 3.39Å; Y513-G517 PolarHBondContact O-N 3.37Å; Y513-L615 HydrophobicContact CD2-CD1 3.95Å; Y513-F652 HydrophobicContact CD1-CD1 4.48Å; Y513-F652 HydrophobicContact CD1-CE1 4.25Å; Y513-F652 HydrophobicContact CD1-CE2 4.33Å; Y513-F652 HydrophobicContact CD1-CZ 4.18Å; Y513-F652 HydrophobicContact CE1-CD2 4.27Å; Y513-F652 HydrophobicContact CE1-CE1 4.29Å; Y513-F652 AromaticContact CE1-CE2 3.75Å; Y513-F652 HydrophobicContact CE1-CE2 3.75Å; Y513-F652 AromaticContact CE1-CZ 3.76Å; Y513-F652 HydrophobicContact CE1-CZ 3.76Å; Y513-F652 HydrophobicContact CE2-CZ 4.27Å; Y513-F652 HydrophobicContact CG-CE1 4.43Å; Y513-F652 AromaticContact CZ-CZ 3.82Å
514	L	93.3	Very high	90	Very high	2 Å²	2	33 Å²	33	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-68.6	-48.7	174.6	-76.2	169.9	0	0	0	111.9	I492 I510 L511 S512 I518 L650 I677 A678	I492-L514 HydrophobicContact CD1-CD1 4.09Å; I492-L514 HydrophobicContact CG2-CD1 4.45Å; I510-L514 HydrophobicContact CG2-CD1 4.25Å; I510-L514 WeakPolarHBondContact O-CG 3.36Å; I510-L514 PolarHBondContact O-N 3.18Å; L511-L514 PolarHBondContact O-N 3.43Å; S512-L514 VanDerWaalsContact C-N 3.32Å; S512-L514 PolarHBondContact O-N 3.27Å; L514-I518 HydrophobicContact CD2-CD1 4.49Å; L514-I518 VanDerWaalsContact O-CB 3.26Å; L514-I518 WeakPolarHBondContact O-CB 3.46Å; L514-I518 WeakPolarHBondContact O-CG1 3.4Å; L514-I518 PolarHBondContact O-N 2.9Å; L514-L650 HydrophobicContact CD2-CD1 3.87Å; L514-I677 HydrophobicContact CD2-CG2 3.64Å; L514-I677 HydrophobicContact CG-CG2 3.74Å; L514-A678 HydrophobicContact CD2-CB 3.93Å
515	V	94.7	Very high	89.5	Confident	15 Å²	15	30.8 Å²	30.8	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-52.1	-178.8	171	0	0	0	0	110.7	L511 S512 S519 L553 R558 V563	L511-V515 HydrophobicContact CD1-CG2 4.27Å; L511-V515 HydrophobicContact CG-CG2 4.37Å; L511-V515 WeakPolarHBondContact O-CB 3.46Å; L511-V515 VanDerWaalsContact O-CG2 3.22Å; L511-V515 WeakPolarHBondContact O-CG2 3.47Å; L511-V515 PolarHBondContact O-N 2.81Å; S512-V515 PolarHBondContact O-N 3.06Å; V515-S519 VanDerWaalsContact O-CB 3.24Å; V515-S519 WeakPolarHBondContact O-CB 3.38Å; V515-S519 PolarHBondContact O-N 3.17Å; V515-S519 VanDerWaalsContact O-N 3.09Å; V515-S519 PolarHBondContact O-OG 2.96Å; V515-L553 HydrophobicContact CB-CD2 4.39Å; V515-L553 HydrophobicContact CG2-CD2 3.95Å; V515-R558 HydrophobicContact CG2-CB 3.83Å; V515-R558 HydrophobicContact CG2-CG 3.78Å; V515-V563 HydrophobicContact CG1-CG2 3.9Å
516	T	93.5	Very high	89.1	Confident	32 Å²	32	28.7 Å²	28.7	20%	0.196	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-50.2	177.7	51.6	0	0	0	0	111.7	S512 I518 S519 V520 V563 F599	S512-T516 PolarHBondContact O-N 3.37Å; S512-T516 PolarHBondContact O-OG1 3.12Å; T516-I518 PolarHBondContact O-N 3.43Å; T516-S519 PolarHBondContact O-N 3.4Å; T516-V520 WeakPolarHBondContact O-CB 3.34Å; T516-V520 PolarHBondContact O-N 3.3Å; T516-V520 VanDerWaalsContact O-N 3.08Å; T516-V563 HydrophobicContact CG2-CG1 4.44Å; T516-F599 WeakPolarHBondContact OG1-CZ 3.47Å
517	G	93.3	Very high	88.8	Confident	7 Å²	7	32.5 Å²	32.5	7%	0.072	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-33.9	-175.9	0	0	0	0	0	114.7	Y513 N521 F599	Y513-G517 WeakPolarHBondContact O-CA 3.39Å; Y513-G517 PolarHBondContact O-N 3.37Å; G517-N521 WeakPolarHBondContact O-CB 3.3Å; G517-N521 PolarHBondContact O-N 2.79Å; G517-F599 VanDerWaalsContact CA-CE1 3.47Å
518	I	95.7	Very high	88.6	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-77.8	-45.2	174.7	-72.2	171.8	0	0	0	111.4	L514 T516 V520 C522 L549 L550 L552 L553 L650	L514-I518 HydrophobicContact CD2-CD1 4.49Å; L514-I518 VanDerWaalsContact O-CB 3.26Å; L514-I518 WeakPolarHBondContact O-CB 3.46Å; L514-I518 WeakPolarHBondContact O-CG1 3.4Å; L514-I518 PolarHBondContact O-N 2.9Å; T516-I518 PolarHBondContact O-N 3.43Å; I518-V520 PolarHBondContact O-N 2.99Å; I518-C522 WeakPolarHBondContact O-CB 3.47Å; I518-C522 PolarHBondContact O-N 3.47Å; I518-C522 PolarHBondContact O-SG 3.24Å; I518-L549 HydrophobicContact CD1-CB 4.36Å; I518-L549 HydrophobicContact CG1-CB 4.38Å; I518-L549 HydrophobicContact CG2-CB 3.7Å; I518-L549 WeakPolarHBondContact CG2-O 3.42Å; I518-L550 HydrophobicContact CG2-CD2 4.18Å; I518-L552 HydrophobicContact CD1-CD2 4.23Å; I518-L553 HydrophobicContact CB-CD1 3.88Å; I518-L553 HydrophobicContact CB-CD2 4.31Å; I518-L553 HydrophobicContact CB-CG 4.2Å; I518-L553 HydrophobicContact CD1-CD2 3.95Å; I518-L553 HydrophobicContact CD1-CG 4.37Å; I518-L553 HydrophobicContact CG2-CD1 3.68Å; I518-L553 HydrophobicContact CG2-CG 3.91Å; I518-L650 HydrophobicContact CD1-CD1 3.7Å; I518-L650 HydrophobicContact CG1-CD1 3.77Å; I518-L650 HydrophobicContact CG1-CD2 4.46Å
519	S	94.3	Very high	88.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-42.4	-174.8	-55.9	0	0	0	0	112.1	V515 T516 L553 Y560 R564	V515-S519 VanDerWaalsContact O-CB 3.24Å; V515-S519 WeakPolarHBondContact O-CB 3.38Å; V515-S519 PolarHBondContact O-N 3.17Å; V515-S519 VanDerWaalsContact O-N 3.09Å; V515-S519 PolarHBondContact O-OG 2.96Å; T516-S519 PolarHBondContact O-N 3.4Å; S519-L553 VanDerWaalsContact OG-CD1 3.28Å; S519-L553 WeakPolarHBondContact OG-CD1 3.31Å; S519-Y560 VanDerWaalsContact OG-CB 3.3Å; S519-Y560 WeakPolarHBondContact OG-CB 3.31Å; S519-R564 PolarHBondContact O-NE 3.26Å; S519-R564 PolarHBondContact O-NH2 3.38Å
520	V	91.9	Very high	88	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-82.7	-40.1	-177	169.2	0	0	0	0	112.6	T516 I518 C522 V563 I567 L572 T587 L589	T516-V520 WeakPolarHBondContact O-CB 3.34Å; T516-V520 PolarHBondContact O-N 3.3Å; T516-V520 VanDerWaalsContact O-N 3.08Å; I518-V520 PolarHBondContact O-N 2.99Å; V520-C522 VanDerWaalsContact C-N 3.26Å; V520-C522 PolarHBondContact O-N 3.1Å; V520-V563 HydrophobicContact CG2-CG1 4.25Å; V520-I567 HydrophobicContact CG2-CD1 4.14Å; V520-I567 HydrophobicContact CG2-CG2 4.37Å; V520-L572 HydrophobicContact CG1-CD2 3.82Å; V520-T587 HydrophobicContact CG1-CG2 3.58Å; V520-L589 HydrophobicContact CG1-CD1 4.12Å; V520-L589 HydrophobicContact CG1-CD2 3.79Å; V520-L589 HydrophobicContact CG1-CG 4.03Å; V520-L589 HydrophobicContact CG2-CD1 4.37Å
521	N	90.4	Very high	87.3	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-85.4	6	-177.1	-161.4	16.9	0	0	0	113	G517 M585 S586 T587 F599 S600 K601	G517-N521 WeakPolarHBondContact O-CB 3.3Å; G517-N521 PolarHBondContact O-N 2.79Å; N521-M585 PolarHBondContact ND2-O 3.38Å; N521-S586 WeakPolarHBondContact OD1-CA 3.33Å; N521-T587 PolarHBondContact OD1-N 2.96Å; N521-T587 PolarHBondContact OD1-OG1 2.9Å; N521-F599 HydrophobicContact CB-CB 4.08Å; N521-F599 PolarHBondContact ND2-O 3.41Å; N521-S600 VanDerWaalsContact ND2-C 3.3Å; N521-S600 WeakPolarHBondContact ND2-CA 3.14Å; N521-K601 PolarHBondContact ND2-N 2.64Å; N521-K601 VanDerWaalsContact ND2-N 3.18Å; N521-K601 WeakPolarHBondContact O-CD 3.29Å; N521-K601 WeakPolarHBondContact O-CE 3.31Å; N521-K601 PolarHBondContact O-NZ 3.27Å
522	C	88.1	Confident	86.2	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.02	22%	0.218	C	C	.	.	S	Bend	trans	-104.5	143.6	167.1	-66.2	0	0	0	0	110	I518 V520 E546 L550 R564	I518-C522 WeakPolarHBondContact O-CB 3.47Å; I518-C522 PolarHBondContact O-N 3.47Å; I518-C522 PolarHBondContact O-SG 3.24Å; V520-C522 VanDerWaalsContact C-N 3.26Å; V520-C522 PolarHBondContact O-N 3.1Å; C522-E546 HydrophobicContact CB-CB 4.03Å; C522-E546 HydrophobicContact CB-CG 4.38Å; C522-L550 HydrophobicContact CB-CD1 4.5Å; C522-L550 HydrophobicContact CB-CD2 4.39Å; C522-L550 HydrophobicContact CB-CG 4.42Å; C522-R564 PolarHBondContact O-NH2 3.34Å
523	A	78.4	Confident	85.2	Confident	31 Å²	31	43.7 Å²	43.7	26%	0.256	23%	0.23	S	C	.	.			trans	-59.3	143.2	-176.1	0	0	0	0	0	110.9	T525 S526 E546 R564	A523-T525 PolarHBondContact O-N 3.16Å; A523-S526 WeakPolarHBondContact O-CA 3.31Å; A523-S526 VanDerWaalsContact O-CB 3.3Å; A523-S526 WeakPolarHBondContact O-CB 3.31Å; A523-S526 PolarHBondContact O-N 2.83Å; A523-E546 PolarHBondContact N-OE2 3.46Å; A523-R564 PolarHBondContact O-NH2 3.03Å
524	Y	80.8	Confident	83.8	Confident	26 Å²	26	50.8 Å²	50.8	10%	0.102	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19	-177.9	-77.7	-114.4	0	0	0	111.7	S526 K527 R564 I567 E569 L572	Y524-S526 VanDerWaalsContact C-N 3.34Å; Y524-K527 WeakPolarHBondContact O-CE 3.45Å; Y524-R564 HydrophobicContact CD1-CB 4.31Å; Y524-R564 HydrophobicContact CD1-CG 4.19Å; Y524-R564 HydrophobicContact CE1-CB 3.64Å; Y524-R564 HydrophobicContact CE1-CG 3.52Å; Y524-I567 PolarHBondContact OH-O 2.85Å; Y524-E569 WeakPolarHBondContact CB-OE2 3.47Å; Y524-E569 HydrophobicContact CD1-CB 4.13Å; Y524-E569 HydrophobicContact CD2-CB 4.24Å; Y524-E569 HydrophobicContact CD2-CG 4.22Å; Y524-E569 HydrophobicContact CE1-CB 4.49Å; Y524-E569 HydrophobicContact CG-CB 4.03Å; Y524-E569 HydrophobicContact CG-CG 4.31Å; Y524-L572 HydrophobicContact CD2-CD1 4.47Å; Y524-L572 HydrophobicContact CE2-CD1 3.91Å
525	T	74.4	Confident	82.5	Confident	99 Å²	99	54.9 Å²	54.9	61%	0.607	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.9	165.6	54.2	0	0	0	0	113.8	A523 K527	A523-T525 PolarHBondContact O-N 3.16Å; T525-K527 PolarHBondContact O-N 3.07Å
526	S	79.6	Confident	81.1	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.014	32%	0.321	C	S	.	.			trans	-78.1	114.7	171.8	-66.3	0	0	0	0	109.8	A523 Y524 V541 N543 E546 L550 R564	A523-S526 WeakPolarHBondContact O-CA 3.31Å; A523-S526 VanDerWaalsContact O-CB 3.3Å; A523-S526 WeakPolarHBondContact O-CB 3.31Å; A523-S526 PolarHBondContact O-N 2.83Å; Y524-S526 VanDerWaalsContact C-N 3.34Å; S526-V541 CarbonylContact C-O 3.29Å; S526-V541 VanDerWaalsContact CA-O 3.26Å; S526-V541 WeakPolarHBondContact CA-O 3.48Å; S526-N543 PolarHBondContact OG-N 2.99Å; S526-N543 VanDerWaalsContact OG-N 3.13Å; S526-E546 WeakPolarHBondContact CB-OE2 3.5Å; S526-E546 PolarHBondContact OG-OE2 3.21Å; S526-L550 VanDerWaalsContact O-CD1 3.27Å; S526-L550 WeakPolarHBondContact O-CD1 3.18Å; S526-R564 PolarHBondContact O-NH1 3.36Å
527	K	81.5	Confident	79.9	Confident	87 Å²	87	59.3 Å²	59.3	38%	0.378	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148.2	-175.7	-62.2	-170.2	-176.9	-169.5	0	111.5	Y524 T525 V541	Y524-K527 WeakPolarHBondContact O-CE 3.45Å; T525-K527 PolarHBondContact O-N 3.07Å; K527-V541 PolarHBondContact N-O 2.95Å; K527-V541 PolarHBondContact O-N 3.15Å
528	I	86.5	Confident	79.3	Confident	19 Å²	19	61.2 Å²	61.2	10%	0.097	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.1	163.4	-59.2	175.5	0	0	0	107.5	P538 L550 G551 L554 Y560	I528-P538 HydrophobicContact CG2-CB 3.63Å; I528-L550 HydrophobicContact CD1-CB 4.22Å; I528-G551 VanDerWaalsContact CD1-CA 3.48Å; I528-L554 HydrophobicContact CB-CD1 4.38Å; I528-L554 HydrophobicContact CD1-CD1 3.79Å; I528-L554 HydrophobicContact CG2-CD1 4.3Å; I528-Y560 HydrophobicContact CB-CE1 4.48Å; I528-Y560 HydrophobicContact CD1-CE1 4.48Å; I528-Y560 PolarHBondContact N-OH 3.21Å; I528-Y560 PolarHBondContact O-OH 3.22Å
529	L	82.3	Confident	78.4	Confident	62 Å²	62	66.7 Å²	66.7	33%	0.325	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	153.5	175.2	-63.4	176.2	0	0	0	110.1	P538 R539 V541	L529-P538 CarbonylContact O-C 3.54Å; L529-P538 WeakPolarHBondContact O-CA 3.1Å; L529-R539 HydrophobicContact CB-CB 4.35Å; L529-R539 PolarHBondContact N-O 3.13Å; L529-R539 PolarHBondContact O-N 3.08Å; L529-V541 HydrophobicContact CD1-CG2 3.65Å; L529-V541 HydrophobicContact CG-CG2 4.25Å
530	P	81.9	Confident	77.5	Confident	102 Å²	102	68.3 Å²	68.3	66%	0.662	38%	0.377	S	S	*	.			trans	-57.8	157.3	170.3	26.3	-35.4	0	0	0	111.4
531	P	77.8	Confident	76.6	Confident	46 Å²	46	70.9 Å²	70.9	30%	0.299	39%	0.392	S	S	.	.			trans	-66.8	147.7	177.1	31	-37.5	0	0	0	111.7	K533 G536	P531-K533 WeakPolarHBondContact CB-O 3.36Å; P531-K533 WeakPolarHBondContact CG-O 3.21Å; P531-K533 PolarHBondContact O-N 3.2Å; P531-G536 VanDerWaalsContact CB-C 3.47Å; P531-G536 WeakPolarHBondContact CB-O 3.34Å; P531-G536 WeakPolarHBondContact CG-O 3.33Å
532	E	67.4	Low	75.7	Confident	151 Å²	151	73 Å²	73	71%	0.706	42%	0.415	S	S	*	.	S	Bend	trans	-71.6	-9	176.3	-65.7	172.5	-159	0	0	113.6	R539	E532-R539 WeakPolarHBondContact OE1-CD 3.45Å; E532-R539 IonicContact OE1-CZ 2.71Å; E532-R539 IonicContact OE1-NE 3.41Å; E532-R539 IonicContact OE1-NH1 2.75Å; E532-R539 PolarHBondContact OE1-NH1 3.4Å
533	K	72.1	Confident	75	Confident	170 Å²	170	76.6 Å²	76.6	74%	0.739	43%	0.434	S	S	*	.	S	Bend	trans	-138.3	141.1	177.1	-63.8	177.8	-174.4	169.4	0	109	P531 G535 G536	P531-K533 WeakPolarHBondContact CB-O 3.36Å; P531-K533 WeakPolarHBondContact CG-O 3.21Å; P531-K533 PolarHBondContact O-N 3.2Å; K533-G535 PolarHBondContact O-N 3.22Å; K533-G536 PolarHBondContact O-N 3.48Å
534	E	62.4	Low	75	Confident	206 Å²	206	79.1 Å²	79.1	96%	0.963	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	132.8	176.9	-160.6	164.2	-146	0	0	110.6	G536	E534-G536 VanDerWaalsContact C-N 3.29Å; E534-G536 PolarHBondContact O-N 2.92Å
535	G	65.4	Low	75.1	Confident	87 Å²	87	78.6 Å²	78.6	90%	0.897	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-0.3	-171.4	0	0	0	0	0	116.3	K533	K533-G535 PolarHBondContact O-N 3.22Å
536	G	64.8	Low	75.7	Confident	35 Å²	35	74.4 Å²	74.4	36%	0.361	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-75.2	169.7	175	0	0	0	0	0	114.5	P531 K533 E534	P531-G536 VanDerWaalsContact CB-C 3.47Å; P531-G536 WeakPolarHBondContact CB-O 3.34Å; P531-G536 WeakPolarHBondContact CG-O 3.33Å; K533-G536 PolarHBondContact O-N 3.48Å; E534-G536 VanDerWaalsContact C-N 3.29Å; E534-G536 PolarHBondContact O-N 2.92Å
537	L	69.1	Low	76.1	Confident	106 Å²	106	74.3 Å²	74.3	56%	0.555	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-80.2	143.5	174.9	-69.1	175.2	0	0	0	112.2	M482 R539	M482-L537 HydrophobicContact SD-CD1 3.94Å; L537-R539 PolarHBondContact O-N 3.4Å
538	P	80.3	Confident	76.5	Confident	46 Å²	46	70.3 Å²	70.3	30%	0.299	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-58.4	134.6	176.8	-24.5	34	0	0	0	113.2	I528 L529	I528-P538 HydrophobicContact CG2-CB 3.63Å; L529-P538 CarbonylContact O-C 3.54Å; L529-P538 WeakPolarHBondContact O-CA 3.1Å
539	R	77.3	Confident	76.8	Confident	118 Å²	118	69.6 Å²	69.6	45%	0.445	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122	-175.4	-165.5	177.4	79.2	168.9	6.7	110.5	L529 E532 L537	L529-R539 HydrophobicContact CB-CB 4.35Å; L529-R539 PolarHBondContact N-O 3.13Å; L529-R539 PolarHBondContact O-N 3.08Å; E532-R539 WeakPolarHBondContact OE1-CD 3.45Å; E532-R539 IonicContact OE1-CZ 2.71Å; E532-R539 IonicContact OE1-NE 3.41Å; E532-R539 IonicContact OE1-NH1 2.75Å; E532-R539 PolarHBondContact OE1-NH1 3.4Å; L537-R539 PolarHBondContact O-N 3.4Å
540	H	75	Confident	77.4	Confident	35 Å²	35	66.6 Å²	66.6	16%	0.162	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127	173.6	-72.5	-166.4	0	0	0	110.2	R484 M485 C547	R484-H540 VanDerWaalsContact CG-CE1 3.47Å; R484-H540 WeakPolarHBondContact CG-CE1 3.43Å; R484-H540 PolarHBondContact NE-CE1 3.45Å; R484-H540 PolarHBondContact NE-NE2 3.07Å; R484-H540 PolarHBondContact NH2-NE2 3.01Å; M485-H540 PolarHBondContact O-CE1 2.83Å; H540-C547 HydrophobicContact CB-CB 3.84Å; H540-C547 VanDerWaalsContact CG-CB 3.45Å; H540-C547 WeakPolarHBondContact ND1-CB 3.27Å
541	V	73.6	Confident	77.9	Confident	55 Å²	55	62.1 Å²	62.1	33%	0.333	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139	174.4	179.8	0	0	0	0	108.6	S526 K527 L529 C547	S526-V541 CarbonylContact C-O 3.29Å; S526-V541 VanDerWaalsContact CA-O 3.26Å; S526-V541 WeakPolarHBondContact CA-O 3.48Å; K527-V541 PolarHBondContact N-O 2.95Å; K527-V541 PolarHBondContact O-N 3.15Å; L529-V541 HydrophobicContact CD1-CG2 3.65Å; L529-V541 HydrophobicContact CG-CG2 4.25Å; V541-C547 PolarHBondContact O-SG 3.39Å
542	G	70.9	Confident	78.7	Confident	48 Å²	48	60 Å²	60	50%	0.495	33%	0.333	S	S	.	.	S	Bend	trans	85.9	-148.4	-175.1	0	0	0	0	0	112.9	K544	G542-K544 PolarHBondContact O-N 3.43Å
543	N	74.1	Confident	80	Confident	78 Å²	78	52.8 Å²	52.8	42%	0.417	30%	0.3	S	S	.	.			trans	-75.2	116.5	-175.5	-176.6	-25.4	0	0	0	110.4	S526 T545 E546 C547	S526-N543 PolarHBondContact OG-N 2.99Å; S526-N543 VanDerWaalsContact OG-N 3.13Å; N543-T545 PolarHBondContact O-N 2.89Å; N543-T545 VanDerWaalsContact O-N 3.11Å; N543-T545 VanDerWaalsContact OD1-CB 3.31Å; N543-T545 WeakPolarHBondContact OD1-CB 3.32Å; N543-T545 PolarHBondContact OD1-N 3.23Å; N543-T545 PolarHBondContact OD1-OG1 3.09Å; N543-E546 HydrophobicContact CB-CB 4.19Å; N543-E546 HydrophobicContact CB-CG 3.82Å; N543-E546 WeakPolarHBondContact O-CA 3.27Å; N543-E546 WeakPolarHBondContact O-CB 3.5Å; N543-E546 PolarHBondContact O-N 2.65Å; N543-C547 PolarHBondContact O-N 3.07Å; N543-C547 PolarHBondContact O-SG 3.17Å
544	K	78.5	Confident	80.9	Confident	83 Å²	83	48 Å²	48	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-55.5	-33.1	-178.6	-59	-169.1	-179.8	-167.5	0	113.2	N483 M485 G542 E546 C547 A548	N483-K544 WeakPolarHBondContact O-CD 3.4Å; N483-K544 PolarHBondContact O-NZ 3.05Å; N483-K544 PolarHBondContact OD1-NZ 2.94Å; M485-K544 HydrophobicContact CB-CB 4.35Å; M485-K544 HydrophobicContact CG-CB 3.76Å; G542-K544 PolarHBondContact O-N 3.43Å; K544-E546 VanDerWaalsContact C-N 3.33Å; K544-C547 PolarHBondContact O-N 3.42Å; K544-A548 PolarHBondContact O-N 3.23Å
545	T	82.9	Confident	82.3	Confident	16 Å²	16	42.7 Å²	42.7	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-33.7	177.1	-35.5	0	0	0	0	111.9	N543 A548 L549 R646 I648 I682	N543-T545 PolarHBondContact O-N 2.89Å; N543-T545 VanDerWaalsContact O-N 3.11Å; N543-T545 VanDerWaalsContact OD1-CB 3.31Å; N543-T545 WeakPolarHBondContact OD1-CB 3.32Å; N543-T545 PolarHBondContact OD1-N 3.23Å; N543-T545 PolarHBondContact OD1-OG1 3.09Å; T545-A548 WeakPolarHBondContact O-CB 3.31Å; T545-L549 PolarHBondContact O-N 3.28Å; T545-R646 PolarHBondContact OG1-NH1 3.25Å; T545-R646 VanDerWaalsContact OG1-NH1 3.09Å; T545-I648 HydrophobicContact CG2-CG1 4.46Å; T545-I682 HydrophobicContact CG2-CD1 3.71Å
546	E	86.8	Confident	83.5	Confident	11 Å²	11	38.6 Å²	38.6	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-77.3	-39	175.3	-60.3	-173.8	165.9	0	0	110.9	C522 A523 S526 N543 K544 A548 L549 L550 K601	C522-E546 HydrophobicContact CB-CB 4.03Å; C522-E546 HydrophobicContact CB-CG 4.38Å; A523-E546 PolarHBondContact N-OE2 3.46Å; S526-E546 WeakPolarHBondContact CB-OE2 3.5Å; S526-E546 PolarHBondContact OG-OE2 3.21Å; N543-E546 HydrophobicContact CB-CB 4.19Å; N543-E546 HydrophobicContact CB-CG 3.82Å; N543-E546 WeakPolarHBondContact O-CA 3.27Å; N543-E546 WeakPolarHBondContact O-CB 3.5Å; N543-E546 PolarHBondContact O-N 2.65Å; K544-E546 VanDerWaalsContact C-N 3.33Å; E546-A548 PolarHBondContact O-N 2.98Å; E546-L549 WeakPolarHBondContact O-CB 3.49Å; E546-L549 PolarHBondContact O-N 3.25Å; E546-L550 WeakPolarHBondContact O-CG 3.33Å; E546-L550 PolarHBondContact O-N 3.38Å; E546-K601 VanDerWaalsContact CD-NZ 3.25Å; E546-K601 IonicContact OE1-NZ 3.31Å; E546-K601 PolarHBondContact OE1-NZ 3.19Å
547	C	87	Confident	84.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-30.4	172	-57.7	0	0	0	0	112	H540 V541 N543 K544 G551	H540-C547 HydrophobicContact CB-CB 3.84Å; H540-C547 VanDerWaalsContact CG-CB 3.45Å; H540-C547 WeakPolarHBondContact ND1-CB 3.27Å; V541-C547 PolarHBondContact O-SG 3.39Å; N543-C547 PolarHBondContact O-N 3.07Å; N543-C547 PolarHBondContact O-SG 3.17Å; K544-C547 PolarHBondContact O-N 3.42Å; C547-G551 PolarHBondContact O-N 2.94Å
548	A	89.8	Confident	85.9	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-38.4	171.1	0	0	0	0	0	112.8	M485 K544 T545 E546 G551 L552 I682	M485-A548 HydrophobicContact CB-CB 3.88Å; M485-A548 VanDerWaalsContact O-CB 3.28Å; M485-A548 WeakPolarHBondContact O-CB 3.26Å; K544-A548 PolarHBondContact O-N 3.23Å; T545-A548 WeakPolarHBondContact O-CB 3.31Å; E546-A548 PolarHBondContact O-N 2.98Å; A548-G551 PolarHBondContact O-N 3.19Å; A548-L552 PolarHBondContact O-N 2.84Å; A548-I682 HydrophobicContact CB-CD1 4.4Å; A548-I682 HydrophobicContact CB-CG2 3.66Å
549	L	93.9	Very high	86.4	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-72.2	-44.1	176.9	-62.5	172.6	0	0	0	111.2	V487 I518 T545 E546 G551 L552 L553 K601 L650 V680 I682	V487-L549 HydrophobicContact CG2-CD2 4.33Å; I518-L549 HydrophobicContact CD1-CB 4.36Å; I518-L549 HydrophobicContact CG1-CB 4.38Å; I518-L549 HydrophobicContact CG2-CB 3.7Å; I518-L549 WeakPolarHBondContact CG2-O 3.42Å; T545-L549 PolarHBondContact O-N 3.28Å; E546-L549 WeakPolarHBondContact O-CB 3.49Å; E546-L549 PolarHBondContact O-N 3.25Å; L549-G551 PolarHBondContact O-N 3.3Å; L549-L552 WeakPolarHBondContact O-CB 3.2Å; L549-L552 PolarHBondContact O-N 3.4Å; L549-L553 PolarHBondContact O-N 3.27Å; L549-K601 HydrophobicContact CD1-CD 4.34Å; L549-L650 HydrophobicContact CD1-CD2 4.4Å; L549-L650 HydrophobicContact CD2-CD1 4.49Å; L549-V680 HydrophobicContact CD2-CG2 3.68Å; L549-I682 HydrophobicContact CD2-CD1 4.24Å
550	L	94.6	Very high	87.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-35.9	172.5	-65.2	170.9	0	0	0	111.1	I518 C522 S526 I528 E546 L553 L554 Y560	I518-L550 HydrophobicContact CG2-CD2 4.18Å; C522-L550 HydrophobicContact CB-CD1 4.5Å; C522-L550 HydrophobicContact CB-CD2 4.39Å; C522-L550 HydrophobicContact CB-CG 4.42Å; S526-L550 VanDerWaalsContact O-CD1 3.27Å; S526-L550 WeakPolarHBondContact O-CD1 3.18Å; I528-L550 HydrophobicContact CD1-CB 4.22Å; E546-L550 WeakPolarHBondContact O-CG 3.33Å; E546-L550 PolarHBondContact O-N 3.38Å; L550-L553 WeakPolarHBondContact O-CB 3.27Å; L550-L553 PolarHBondContact O-N 3.46Å; L550-L554 PolarHBondContact O-N 3.46Å; L550-Y560 HydrophobicContact CB-CD1 3.85Å; L550-Y560 HydrophobicContact CB-CE1 3.87Å; L550-Y560 HydrophobicContact CD2-CD1 3.92Å; L550-Y560 HydrophobicContact CD2-CD2 4.03Å; L550-Y560 HydrophobicContact CD2-CE1 4.44Å; L550-Y560 HydrophobicContact CD2-CG 3.7Å; L550-Y560 HydrophobicContact CG-CD1 4.4Å
551	G	92.3	Very high	87.9	Confident	7 Å²	7	41.5 Å²	41.5	7%	0.072	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-41.5	173.7	0	0	0	0	0	112.8	I528 C547 A548 L549 L553 L554 D555	I528-G551 VanDerWaalsContact CD1-CA 3.48Å; C547-G551 PolarHBondContact O-N 2.94Å; A548-G551 PolarHBondContact O-N 3.19Å; L549-G551 PolarHBondContact O-N 3.3Å; G551-L553 PolarHBondContact O-N 2.86Å; G551-L554 PolarHBondContact O-N 2.83Å; G551-L554 VanDerWaalsContact O-N 3.1Å; G551-D555 PolarHBondContact O-N 2.8Å
552	L	94.5	Very high	88.8	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-33.3	173.3	176.1	67.4	0	0	0	112.4	V487 V500 I518 A548 L549 L556 V680	V487-L552 HydrophobicContact CB-CB 4.17Å; V487-L552 HydrophobicContact CB-CD1 4.24Å; V487-L552 HydrophobicContact CB-CD2 4.46Å; V487-L552 HydrophobicContact CG1-CD1 4.04Å; V487-L552 HydrophobicContact CG1-CD2 4.21Å; V487-L552 HydrophobicContact CG2-CB 3.97Å; V487-L552 HydrophobicContact CG2-CD2 4.16Å; V500-L552 HydrophobicContact CB-CD1 4.4Å; V500-L552 HydrophobicContact CG1-CD1 3.62Å; V500-L552 HydrophobicContact CG2-CD1 3.86Å; I518-L552 HydrophobicContact CD1-CD2 4.23Å; A548-L552 PolarHBondContact O-N 2.84Å; L549-L552 WeakPolarHBondContact O-CB 3.2Å; L549-L552 PolarHBondContact O-N 3.4Å; L552-L556 HydrophobicContact CD1-CD1 4.1Å; L552-L556 HydrophobicContact CD1-CG 4.27Å; L552-L556 HydrophobicContact CG-CD1 4.02Å; L552-L556 VanDerWaalsContact O-CB 3.27Å; L552-L556 WeakPolarHBondContact O-CB 3.44Å; L552-L556 WeakPolarHBondContact O-CG 3.41Å; L552-L556 PolarHBondContact O-N 3.3Å; L552-V680 HydrophobicContact CD2-CG1 4.05Å
553	L	94.2	Very high	89.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.4	-42.3	175.5	-61.1	-172.7	0	0	0	112	V515 I518 S519 L549 L550 G551 L556 K557 R558	V515-L553 HydrophobicContact CB-CD2 4.39Å; V515-L553 HydrophobicContact CG2-CD2 3.95Å; I518-L553 HydrophobicContact CB-CD1 3.88Å; I518-L553 HydrophobicContact CB-CD2 4.31Å; I518-L553 HydrophobicContact CB-CG 4.2Å; I518-L553 HydrophobicContact CD1-CD2 3.95Å; I518-L553 HydrophobicContact CD1-CG 4.37Å; I518-L553 HydrophobicContact CG2-CD1 3.68Å; I518-L553 HydrophobicContact CG2-CG 3.91Å; S519-L553 VanDerWaalsContact OG-CD1 3.28Å; S519-L553 WeakPolarHBondContact OG-CD1 3.31Å; L549-L553 PolarHBondContact O-N 3.27Å; L550-L553 WeakPolarHBondContact O-CB 3.27Å; L550-L553 PolarHBondContact O-N 3.46Å; G551-L553 PolarHBondContact O-N 2.86Å; L553-L556 CarbonylContact O-C 3.13Å; L553-L556 VanDerWaalsContact O-C 3.29Å; L553-L556 WeakPolarHBondContact O-CA 3.47Å; L553-L556 PolarHBondContact O-N 3.19Å; L553-K557 PolarHBondContact O-N 3.03Å; L553-R558 CarbonylContact C-O 3.47Å; L553-R558 PolarHBondContact O-N 3.38Å
554	L	91.7	Very high	90.5	Very high	68 Å²	68	39.2 Å²	39.2	36%	0.356	19%	0.189	S	C	.	.	H	α-helix	trans	-64.3	-42.5	175.1	-59.3	-177.9	0	0	0	111.6	I528 L550 G551 L556 K557 Y560	I528-L554 HydrophobicContact CB-CD1 4.38Å; I528-L554 HydrophobicContact CD1-CD1 3.79Å; I528-L554 HydrophobicContact CG2-CD1 4.3Å; L550-L554 PolarHBondContact O-N 3.46Å; G551-L554 PolarHBondContact O-N 2.83Å; G551-L554 VanDerWaalsContact O-N 3.1Å; L554-L556 PolarHBondContact O-N 2.91Å; L554-K557 WeakPolarHBondContact O-CA 3.38Å; L554-K557 PolarHBondContact O-N 3.4Å; L554-Y560 HydrophobicContact CD1-CE1 4.19Å; L554-Y560 HydrophobicContact CD2-CD1 4.14Å; L554-Y560 HydrophobicContact CD2-CE1 4.24Å; L554-Y560 HydrophobicContact CG-CD1 4.29Å; L554-Y560 HydrophobicContact CG-CE1 4.24Å
555	D	90.7	Very high	91.1	Very high	96 Å²	96	40.2 Å²	40.2	51%	0.513	20%	0.198	S	C	.	.	H	α-helix	trans	-62.2	-34	173.5	-67	-25.1	0	0	0	111.3	V500 G551 K557	V500-D555 HydrophobicContact CG1-CB 4.38Å; G551-D555 PolarHBondContact O-N 2.8Å; D555-K557 PolarHBondContact O-N 3.17Å
556	L	91.8	Very high	91.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	14.8	170.6	-70.3	173.1	0	0	0	113.9	V500 P501 P503 I506 L511 L552 L553 L554 R558	V500-L556 HydrophobicContact CG1-CD2 4.41Å; P501-L556 WeakPolarHBondContact O-CD2 3.43Å; P503-L556 HydrophobicContact CG-CD2 4.41Å; P503-L556 WeakPolarHBondContact CG-O 3.25Å; I506-L556 HydrophobicContact CD1-CD1 4.02Å; I506-L556 HydrophobicContact CD1-CD2 3.69Å; L511-L556 HydrophobicContact CD1-CB 4.31Å; L511-L556 HydrophobicContact CD1-CD1 4.05Å; L552-L556 HydrophobicContact CD1-CD1 4.1Å; L552-L556 HydrophobicContact CD1-CG 4.27Å; L552-L556 HydrophobicContact CG-CD1 4.02Å; L552-L556 VanDerWaalsContact O-CB 3.27Å; L552-L556 WeakPolarHBondContact O-CB 3.44Å; L552-L556 WeakPolarHBondContact O-CG 3.41Å; L552-L556 PolarHBondContact O-N 3.3Å; L553-L556 CarbonylContact O-C 3.13Å; L553-L556 VanDerWaalsContact O-C 3.29Å; L553-L556 WeakPolarHBondContact O-CA 3.47Å; L553-L556 PolarHBondContact O-N 3.19Å; L554-L556 PolarHBondContact O-N 2.91Å; L556-R558 VanDerWaalsContact C-N 3.31Å; L556-R558 PolarHBondContact O-N 3.18Å
557	K	92.3	Very high	91.5	Very high	118 Å²	118	48 Å²	48	51%	0.513	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	36.8	174.8	-47	173.3	-157.3	160.2	0	112.8	E502 P503 E504 L553 L554 D555	E502-K557 VanDerWaalsContact OE2-CE 3.23Å; E502-K557 WeakPolarHBondContact OE2-CE 3.29Å; E502-K557 IonicContact OE2-NZ 3.37Å; E502-K557 PolarHBondContact OE2-NZ 3.5Å; P503-K557 HydrophobicContact CG-CB 4.18Å; P503-K557 HydrophobicContact CG-CD 3.82Å; P503-K557 HydrophobicContact CG-CG 3.9Å; E504-K557 IonicContact OE1-NZ 3.45Å; E504-K557 PolarHBondContact OE1-NZ 3.2Å; L553-K557 PolarHBondContact O-N 3.03Å; L554-K557 WeakPolarHBondContact O-CA 3.38Å; L554-K557 PolarHBondContact O-N 3.4Å; D555-K557 PolarHBondContact O-N 3.17Å
558	R	92.1	Very high	91.3	Very high	134 Å²	134	50.3 Å²	50.3	51%	0.506	25%	0.249	S	C	.	.			trans	-129.7	125.1	178	-63.9	-65.4	179.7	179.4	-2.2	110.7	V515 L553 L556	V515-R558 HydrophobicContact CG2-CB 3.83Å; V515-R558 HydrophobicContact CG2-CG 3.78Å; L553-R558 CarbonylContact C-O 3.47Å; L553-R558 PolarHBondContact O-N 3.38Å; L556-R558 VanDerWaalsContact C-N 3.31Å; L556-R558 PolarHBondContact O-N 3.18Å
559	D	91.4	Very high	90.7	Very high	79 Å²	79	55.2 Å²	55.2	42%	0.422	27%	0.272	S	S	.	.			trans	-74.1	133.7	170.7	-154.7	-32.7	0	0	0	109.9	Q561	D559-Q561 VanDerWaalsContact OD1-CB 3.28Å; D559-Q561 WeakPolarHBondContact OD1-CB 3.36Å; D559-Q561 PolarHBondContact OD1-N 3.12Å
560	Y	92.8	Very high	89.9	Confident	13 Å²	13	63.2 Å²	63.2	5%	0.051	31%	0.309	C	S	.	.	S	Bend	trans	-83.3	-20	173.5	62.3	-107.6	0	0	0	111.7	S519 I528 L550 L554 V563 R564	S519-Y560 VanDerWaalsContact OG-CB 3.3Å; S519-Y560 WeakPolarHBondContact OG-CB 3.31Å; I528-Y560 HydrophobicContact CB-CE1 4.48Å; I528-Y560 HydrophobicContact CD1-CE1 4.48Å; I528-Y560 PolarHBondContact N-OH 3.21Å; I528-Y560 PolarHBondContact O-OH 3.22Å; L550-Y560 HydrophobicContact CB-CD1 3.85Å; L550-Y560 HydrophobicContact CB-CE1 3.87Å; L550-Y560 HydrophobicContact CD2-CD1 3.92Å; L550-Y560 HydrophobicContact CD2-CD2 4.03Å; L550-Y560 HydrophobicContact CD2-CE1 4.44Å; L550-Y560 HydrophobicContact CD2-CG 3.7Å; L550-Y560 HydrophobicContact CG-CD1 4.4Å; L554-Y560 HydrophobicContact CD1-CE1 4.19Å; L554-Y560 HydrophobicContact CD2-CD1 4.14Å; L554-Y560 HydrophobicContact CD2-CE1 4.24Å; L554-Y560 HydrophobicContact CG-CD1 4.29Å; L554-Y560 HydrophobicContact CG-CE1 4.24Å; Y560-V563 PolarHBondContact O-N 3.49Å; Y560-R564 WeakPolarHBondContact O-CG 3.23Å; Y560-R564 PolarHBondContact O-N 2.76Å
561	Q	90.4	Very high	89.3	Confident	57 Å²	57	65.8 Å²	65.8	27%	0.266	33%	0.33	S	S	.	.	H	α-helix	trans	-73.6	-32.6	-174.4	-169.4	55.9	58.5	0	0	111.4	D559 V563 R564 N565	D559-Q561 VanDerWaalsContact OD1-CB 3.28Å; D559-Q561 WeakPolarHBondContact OD1-CB 3.36Å; D559-Q561 PolarHBondContact OD1-N 3.12Å; Q561-V563 PolarHBondContact O-N 2.86Å; Q561-R564 CarbonylContact O-C 3.5Å; Q561-R564 PolarHBondContact O-N 2.89Å; Q561-R564 VanDerWaalsContact O-N 3.14Å; Q561-N565 PolarHBondContact NE2-OD1 3.02Å; Q561-N565 PolarHBondContact O-N 3.22Å; Q561-N565 PolarHBondContact O-ND2 2.85Å; Q561-N565 PolarHBondContact O-OD1 3.47Å
562	D	92.6	Very high	88.9	Confident	109 Å²	109	66.8 Å²	66.8	58%	0.583	33%	0.334	S	S	*	.	H	α-helix	trans	-56.1	-48.6	172.4	-70.6	-25.7	0	0	0	111.5	R564 N565 E566	D562-R564 VanDerWaalsContact C-N 3.3Å; D562-R564 PolarHBondContact O-N 3.23Å; D562-N565 WeakPolarHBondContact O-CB 3.4Å; D562-N565 PolarHBondContact O-N 3.44Å; D562-E566 PolarHBondContact O-N 3.1Å
563	V	91.7	Very high	88.6	Confident	16 Å²	16	71.3 Å²	71.3	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-65.3	-34.2	177.2	179.7	0	0	0	0	111.9	V515 T516 V520 Y560 Q561 N565 E566 I567	V515-V563 HydrophobicContact CG1-CG2 3.9Å; T516-V563 HydrophobicContact CG2-CG1 4.44Å; V520-V563 HydrophobicContact CG2-CG1 4.25Å; Y560-V563 PolarHBondContact O-N 3.49Å; Q561-V563 PolarHBondContact O-N 2.86Å; V563-N565 VanDerWaalsContact C-N 3.28Å; V563-N565 PolarHBondContact O-N 3.43Å; V563-E566 PolarHBondContact O-N 2.9Å; V563-I567 HydrophobicContact CG1-CD1 4.41Å; V563-I567 WeakPolarHBondContact O-CB 3.44Å; V563-I567 PolarHBondContact O-N 3.16Å
564	R	89.5	Confident	88.1	Confident	7 Å²	7	74 Å²	74	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-75.8	-13	174.3	-71.1	-175.7	167.7	-174.4	-14.6	114	S519 C522 A523 Y524 S526 Y560 Q561 D562 I567	S519-R564 PolarHBondContact O-NE 3.26Å; S519-R564 PolarHBondContact O-NH2 3.38Å; C522-R564 PolarHBondContact O-NH2 3.34Å; A523-R564 PolarHBondContact O-NH2 3.03Å; Y524-R564 HydrophobicContact CD1-CB 4.31Å; Y524-R564 HydrophobicContact CD1-CG 4.19Å; Y524-R564 HydrophobicContact CE1-CB 3.64Å; Y524-R564 HydrophobicContact CE1-CG 3.52Å; S526-R564 PolarHBondContact O-NH1 3.36Å; Y560-R564 WeakPolarHBondContact O-CG 3.23Å; Y560-R564 PolarHBondContact O-N 2.76Å; Q561-R564 CarbonylContact O-C 3.5Å; Q561-R564 PolarHBondContact O-N 2.89Å; Q561-R564 VanDerWaalsContact O-N 3.14Å; D562-R564 VanDerWaalsContact C-N 3.3Å; D562-R564 PolarHBondContact O-N 3.23Å; R564-I567 CarbonylContact C-O 3.11Å
565	N	89.4	Confident	87.7	Confident	104 Å²	104	73.8 Å²	73.8	56%	0.556	37%	0.365	S	S	*	.	H	α-helix	trans	-88.6	-36.3	171.4	-60.5	-24.4	0	0	0	110.6	Q561 D562 V563	Q561-N565 PolarHBondContact NE2-OD1 3.02Å; Q561-N565 PolarHBondContact O-N 3.22Å; Q561-N565 PolarHBondContact O-ND2 2.85Å; Q561-N565 PolarHBondContact O-OD1 3.47Å; D562-N565 WeakPolarHBondContact O-CB 3.4Å; D562-N565 PolarHBondContact O-N 3.44Å; V563-N565 VanDerWaalsContact C-N 3.28Å; V563-N565 PolarHBondContact O-N 3.43Å
566	E	89.9	Confident	87.4	Confident	157 Å²	157	69.8 Å²	69.8	73%	0.734	34%	0.343	S	S	*	.	H	α-helix	trans	-71.3	-40.1	173.2	-176.6	176.6	-155.9	0	0	112.1	D562 V563 P568	D562-E566 PolarHBondContact O-N 3.1Å; V563-E566 PolarHBondContact O-N 2.9Å; E566-P568 WeakPolarHBondContact O-CD 3.48Å
567	I	88.6	Confident	86.8	Confident	34 Å²	34	74.1 Å²	74.1	17%	0.174	37%	0.369	C	S	.	.	S	Bend	trans	-118.8	90.4	177.6	-52.1	176.7	0	0	0	107.9	V520 Y524 V563 R564 A571 L572 L589	V520-I567 HydrophobicContact CG2-CD1 4.14Å; V520-I567 HydrophobicContact CG2-CG2 4.37Å; Y524-I567 PolarHBondContact OH-O 2.85Å; V563-I567 HydrophobicContact CG1-CD1 4.41Å; V563-I567 WeakPolarHBondContact O-CB 3.44Å; V563-I567 PolarHBondContact O-N 3.16Å; R564-I567 CarbonylContact C-O 3.11Å; I567-A571 HydrophobicContact CG2-CB 4.39Å; I567-L572 HydrophobicContact CG2-CD2 4.04Å; I567-L589 HydrophobicContact CD1-CD1 4Å; I567-L589 HydrophobicContact CG2-CD2 3.74Å
568	P	82.9	Confident	86.1	Confident	48 Å²	48	73.3 Å²	73.3	31%	0.312	37%	0.366	S	S	.	.			trans	-76.2	171	177	33.7	-37.9	0	0	0	111.9	E566 E570 A571	E566-P568 WeakPolarHBondContact O-CD 3.48Å; P568-E570 VanDerWaalsContact C-N 3.26Å; P568-E570 WeakPolarHBondContact CB-OE2 3.38Å; P568-E570 PolarHBondContact O-N 2.87Å; P568-A571 HydrophobicContact CG-CB 4.01Å; P568-A571 WeakPolarHBondContact O-CB 3.44Å; P568-A571 PolarHBondContact O-N 3.34Å
569	E	78.5	Confident	85.3	Confident	106 Å²	106	70.2 Å²	70.2	50%	0.495	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-64.9	-29.8	-174.6	-170	160.3	-151.4	0	0	112.4	Y524 A571 L572	Y524-E569 WeakPolarHBondContact CB-OE2 3.47Å; Y524-E569 HydrophobicContact CD1-CB 4.13Å; Y524-E569 HydrophobicContact CD2-CB 4.24Å; Y524-E569 HydrophobicContact CD2-CG 4.22Å; Y524-E569 HydrophobicContact CE1-CB 4.49Å; Y524-E569 HydrophobicContact CG-CB 4.03Å; Y524-E569 HydrophobicContact CG-CG 4.31Å; E569-A571 VanDerWaalsContact C-N 3.27Å; E569-A571 PolarHBondContact O-N 2.91Å; E569-L572 HydrophobicContact CG-CD1 4.28Å; E569-L572 WeakPolarHBondContact O-CB 3.44Å; E569-L572 WeakPolarHBondContact O-CG 3.48Å; E569-L572 PolarHBondContact O-N 2.89Å
570	E	76.1	Confident	83.9	Confident	171 Å²	171	70.9 Å²	70.9	80%	0.799	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-73.2	-14.1	175.2	-54	83.6	173	0	0	113.6	P568	P568-E570 VanDerWaalsContact C-N 3.26Å; P568-E570 WeakPolarHBondContact CB-OE2 3.38Å; P568-E570 PolarHBondContact O-N 2.87Å
571	A	81.8	Confident	82.9	Confident	54 Å²	54	76.4 Å²	76.4	45%	0.446	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-90.8	-2.9	176.3	0	0	0	0	0	113.2	I567 P568 E569	I567-A571 HydrophobicContact CG2-CB 4.39Å; P568-A571 HydrophobicContact CG-CB 4.01Å; P568-A571 WeakPolarHBondContact O-CB 3.44Å; P568-A571 PolarHBondContact O-N 3.34Å; E569-A571 VanDerWaalsContact C-N 3.27Å; E569-A571 PolarHBondContact O-N 2.91Å
572	L	83.8	Confident	82.3	Confident	28 Å²	28	76.7 Å²	76.7	15%	0.147	40%	0.403	C	S	.	.			trans	-75.9	124.4	177.3	-54.2	-176.8	0	0	0	110.1	V520 Y524 I567 E569 V575 T587 L589	V520-L572 HydrophobicContact CG1-CD2 3.82Å; Y524-L572 HydrophobicContact CD2-CD1 4.47Å; Y524-L572 HydrophobicContact CE2-CD1 3.91Å; I567-L572 HydrophobicContact CG2-CD2 4.04Å; E569-L572 HydrophobicContact CG-CD1 4.28Å; E569-L572 WeakPolarHBondContact O-CB 3.44Å; E569-L572 WeakPolarHBondContact O-CG 3.48Å; E569-L572 PolarHBondContact O-N 2.89Å; L572-V575 HydrophobicContact CB-CG2 4.18Å; L572-V575 HydrophobicContact CD1-CG2 3.88Å; L572-T587 HydrophobicContact CB-CG2 4.41Å; L572-T587 HydrophobicContact CD1-CG2 4.16Å; L572-T587 HydrophobicContact CD2-CG2 3.9Å; L572-T587 HydrophobicContact CG-CG2 4.38Å; L572-L589 HydrophobicContact CD2-CD2 3.66Å
573	Y	87.8	Confident	81.9	Confident	97 Å²	97	76.2 Å²	76.2	38%	0.38	40%	0.396	S	S	.	.	S	Bend	trans	-75.3	-41.5	-173.6	-174.4	-99.7	0	0	0	112.5	V588 K590 Y596 E661 W664	Y573-V588 WeakPolarHBondContact CB-O 3.39Å; Y573-V588 HydrophobicContact CD1-CG1 4.02Å; Y573-V588 PolarHBondContact N-O 3.12Å; Y573-K590 HydrophobicContact CD2-CB 4.43Å; Y573-K590 HydrophobicContact CD2-CD 4.35Å; Y573-Y596 HydrophobicContact CD1-CD1 4.14Å; Y573-Y596 AromaticContact CD1-CE1 3.69Å; Y573-Y596 HydrophobicContact CD1-CE1 3.69Å; Y573-Y596 AromaticContact CD2-CE1 3.99Å; Y573-Y596 HydrophobicContact CD2-CE1 3.99Å; Y573-Y596 HydrophobicContact CE1-CD1 4.49Å; Y573-Y596 AromaticContact CE1-CE1 3.74Å; Y573-Y596 HydrophobicContact CE1-CE1 3.74Å; Y573-Y596 HydrophobicContact CE2-CE1 4.02Å; Y573-Y596 HydrophobicContact CG-CD1 4.37Å; Y573-Y596 AromaticContact CG-CE1 3.83Å; Y573-Y596 HydrophobicContact CG-CE1 3.83Å; Y573-Y596 AromaticContact CZ-CE1 3.9Å; Y573-E661 PolarHBondContact OH-OE1 3.35Å; Y573-W664 AromaticContact CE1-CD1 3.77Å; Y573-W664 HydrophobicContact CE1-CD2 4.12Å; Y573-W664 AromaticContact CE1-CE2 3.72Å; Y573-W664 HydrophobicContact CE1-CG 4.17Å; Y573-W664 HydrophobicContact CE1-CZ2 4.27Å; Y573-W664 AromaticContact CE1-NE1 3.44Å
574	K	85.4	Confident	81.8	Confident	56 Å²	56	75.7 Å²	75.7	24%	0.243	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	140.9	171.1	-159.4	165.8	-169.6	171.6	0	111	Y576 V588 W664 D665	K574-Y576 HydrophobicContact CD-CE1 4.2Å; K574-V588 HydrophobicContact CB-CB 4.28Å; K574-V588 HydrophobicContact CB-CG2 4.26Å; K574-V588 PolarHBondContact O-N 3.2Å; K574-W664 HydrophobicContact CD-CB 3.9Å; K574-W664 VanDerWaalsContact NZ-C 3.25Å; K574-W664 PolarHBondContact NZ-O 2.95Å; K574-D665 IonicContact NZ-OD1 3.38Å; K574-D665 PolarHBondContact NZ-OD1 2.85Å
575	V	82.7	Confident	81.7	Confident	64 Å²	64	76.5 Å²	76.5	39%	0.388	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.8	176.2	-177.9	0	0	0	0	109.8	L572 T577 T587	L572-V575 HydrophobicContact CB-CG2 4.18Å; L572-V575 HydrophobicContact CD1-CG2 3.88Å; V575-T577 HydrophobicContact CG1-CG2 4.5Å; V575-T577 PolarHBondContact O-N 2.98Å; V575-T587 HydrophobicContact CG2-CG2 4.11Å
576	Y	83.8	Confident	81.9	Confident	13 Å²	13	71.6 Å²	71.6	5%	0.051	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	99	168.5	-55.1	-79	0	0	0	108.4	K574 M585 S586 V588 I598 W664 E667 I670	K574-Y576 HydrophobicContact CD-CE1 4.2Å; Y576-M585 VanDerWaalsContact O-CA 3.31Å; Y576-M585 WeakPolarHBondContact O-CA 3.33Å; Y576-M585 WeakPolarHBondContact O-CG 3.49Å; Y576-S586 PolarHBondContact N-O 2.84Å; Y576-S586 PolarHBondContact O-N 3.1Å; Y576-V588 HydrophobicContact CD2-CG2 4.41Å; Y576-V588 HydrophobicContact CE2-CG2 3.78Å; Y576-I598 HydrophobicContact CD2-CD1 4.23Å; Y576-I598 HydrophobicContact CE2-CD1 4.01Å; Y576-W664 WeakPolarHBondContact CE1-O 3.48Å; Y576-W664 PolarHBondContact OH-O 3.47Å; Y576-E667 HydrophobicContact CD1-CB 3.85Å; Y576-E667 VanDerWaalsContact CD1-CD 3.42Å; Y576-E667 HydrophobicContact CD1-CG 3.45Å; Y576-E667 VanDerWaalsContact CD1-CG 3.45Å; Y576-E667 WeakPolarHBondContact CD1-OE2 3.46Å; Y576-E667 HydrophobicContact CD2-CG 4.3Å; Y576-E667 HydrophobicContact CE1-CB 3.67Å; Y576-E667 HydrophobicContact CE1-CG 3.67Å; Y576-E667 HydrophobicContact CE2-CG 4.47Å; Y576-E667 HydrophobicContact CG-CG 3.77Å; Y576-I670 HydrophobicContact CE2-CG2 4.49Å; Y576-I670 WeakPolarHBondContact OH-CD1 3.15Å
577	T	79.8	Confident	82	Confident	91 Å²	91	64.2 Å²	64.2	56%	0.558	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	167.8	-177.4	56.5	0	0	0	0	112.8	V575 N579 R582	V575-T577 HydrophobicContact CG1-CG2 4.5Å; V575-T577 PolarHBondContact O-N 2.98Å; T577-N579 PolarHBondContact O-N 3.49Å; T577-R582 PolarHBondContact O-NE 3.04Å; T577-R582 PolarHBondContact O-NH2 3.41Å
578	F	77.8	Confident	82.2	Confident	102 Å²	102	62.6 Å²	62.6	45%	0.447	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.6	176.8	179.5	-88.7	0	0	0	111.1	K583 M585	F578-K583 VanDerWaalsContact CE2-C 3.42Å; F578-K583 HydrophobicContact CE2-CB 4.35Å; F578-K583 HydrophobicContact CZ-CB 4.42Å; F578-M585 HydrophobicContact CB-CB 4.38Å; F578-M585 HydrophobicContact CB-CE 4.2Å
579	N	73.8	Confident	82.6	Confident	69 Å²	69	61 Å²	61	37%	0.369	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.6	171.5	164.5	-23	0	0	0	109.4	T577 V581 R582 K583	T577-N579 PolarHBondContact O-N 3.49Å; N579-V581 VanDerWaalsContact C-N 3.26Å; N579-V581 PolarHBondContact O-N 3.36Å; N579-V581 WeakPolarHBondContact OD1-CB 3.3Å; N579-V581 PolarHBondContact OD1-N 2.86Å; N579-R582 HydrophobicContact CB-CG 3.83Å; N579-R582 WeakPolarHBondContact O-CG 3.34Å; N579-R582 PolarHBondContact O-N 3.36Å; N579-K583 WeakPolarHBondContact O-CA 3.35Å; N579-K583 PolarHBondContact O-N 3.44Å
580	S	63.8	Low	83.1	Confident	92 Å²	92	61.2 Å²	61.2	64%	0.643	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.3	-173	-57.9	0	0	0	0	115.2	K583	S580-K583 VanDerWaalsContact O-CG 3.24Å; S580-K583 WeakPolarHBondContact O-CG 3.43Å
581	V	70.3	Confident	83.6	Confident	130 Å²	130	55.6 Å²	55.6	79%	0.788	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-48.9	176.4	-175.8	0	0	0	0	110.2	N579	N579-V581 VanDerWaalsContact C-N 3.26Å; N579-V581 PolarHBondContact O-N 3.36Å; N579-V581 WeakPolarHBondContact OD1-CB 3.3Å; N579-V581 PolarHBondContact OD1-N 2.86Å
582	R	78.8	Confident	83.7	Confident	62 Å²	62	59.7 Å²	59.7	23%	0.234	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-16.1	177.1	61.4	160.3	168.5	-110.9	15.2	114.6	T577 N579 S584 E667	T577-R582 PolarHBondContact O-NE 3.04Å; T577-R582 PolarHBondContact O-NH2 3.41Å; N579-R582 HydrophobicContact CB-CG 3.83Å; N579-R582 WeakPolarHBondContact O-CG 3.34Å; N579-R582 PolarHBondContact O-N 3.36Å; R582-S584 WeakPolarHBondContact CD-O 3.38Å; R582-S584 WeakPolarHBondContact CD-OG 3.39Å; R582-S584 PolarHBondContact NE-O 2.96Å; R582-S584 VanDerWaalsContact NE-O 3.14Å; R582-S584 PolarHBondContact O-N 2.79Å; R582-S584 VanDerWaalsContact O-N 3.09Å; R582-S584 PolarHBondContact O-OG 2.95Å; R582-E667 VanDerWaalsContact CD-OE1 3.3Å; R582-E667 WeakPolarHBondContact CD-OE1 3.46Å; R582-E667 VanDerWaalsContact CZ-CD 3.4Å; R582-E667 IonicContact CZ-OE1 3.38Å; R582-E667 IonicContact CZ-OE2 2.63Å; R582-E667 IonicContact NE-OE1 2.67Å; R582-E667 PolarHBondContact NE-OE1 3.46Å; R582-E667 IonicContact NH1-OE1 3.28Å; R582-E667 PolarHBondContact NH1-OE1 2.94Å; R582-E667 IonicContact NH1-OE2 2.64Å; R582-E667 PolarHBondContact NH1-OE2 3.49Å; R582-E667 IonicContact NH2-OE1 2.74Å; R582-E667 PolarHBondContact NH2-OE1 2.87Å; R582-E667 IonicContact NH2-OE2 2.78Å; R582-E667 PolarHBondContact NH2-OE2 2.82Å; R582-E667 VanDerWaalsContact NH2-OE2 3.1Å
583	K	84.6	Confident	83.7	Confident	100 Å²	100	63.4 Å²	63.4	44%	0.435	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	37.2	-175.8	-51.2	178.7	-173.4	171.6	0	113.9	F578 N579 S580 G602 A603 I606	F578-K583 VanDerWaalsContact CE2-C 3.42Å; F578-K583 HydrophobicContact CE2-CB 4.35Å; F578-K583 HydrophobicContact CZ-CB 4.42Å; N579-K583 WeakPolarHBondContact O-CA 3.35Å; N579-K583 PolarHBondContact O-N 3.44Å; S580-K583 VanDerWaalsContact O-CG 3.24Å; S580-K583 WeakPolarHBondContact O-CG 3.43Å; K583-G602 VanDerWaalsContact O-CA 3.27Å; K583-G602 WeakPolarHBondContact O-CA 3.21Å; K583-A603 HydrophobicContact CB-CB 3.91Å; K583-A603 HydrophobicContact CD-CB 4.29Å; K583-A603 PolarHBondContact O-N 2.95Å; K583-I606 HydrophobicContact CB-CD1 4.1Å; K583-I606 HydrophobicContact CD-CD1 4.02Å; K583-I606 HydrophobicContact CG-CD1 4.26Å
584	S	88.3	Confident	83.4	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.028	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.8	-172.6	41.5	0	0	0	0	112.1	R582 K601	R582-S584 WeakPolarHBondContact CD-O 3.38Å; R582-S584 WeakPolarHBondContact CD-OG 3.39Å; R582-S584 PolarHBondContact NE-O 2.96Å; R582-S584 VanDerWaalsContact NE-O 3.14Å; R582-S584 PolarHBondContact O-N 2.79Å; R582-S584 VanDerWaalsContact O-N 3.09Å; R582-S584 PolarHBondContact O-OG 2.95Å; S584-K601 VanDerWaalsContact CA-O 3.3Å; S584-K601 WeakPolarHBondContact CA-O 3.41Å; S584-K601 WeakPolarHBondContact CB-O 3.23Å
585	M	88.4	Confident	83.6	Confident	25 Å²	25	58.4 Å²	58.4	12%	0.123	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.9	179.9	168.2	-173.1	-87.5	0	0	108.2	N521 Y576 F578 K601	N521-M585 PolarHBondContact ND2-O 3.38Å; Y576-M585 VanDerWaalsContact O-CA 3.31Å; Y576-M585 WeakPolarHBondContact O-CA 3.33Å; Y576-M585 WeakPolarHBondContact O-CG 3.49Å; F578-M585 HydrophobicContact CB-CB 4.38Å; F578-M585 HydrophobicContact CB-CE 4.2Å; M585-K601 HydrophobicContact CB-CG 4.32Å; M585-K601 PolarHBondContact N-O 3.05Å; M585-K601 PolarHBondContact O-N 3.1Å; M585-K601 VanDerWaalsContact O-O 3.1Å; M585-K601 WeakPolarHBondContact SD-CE 3.39Å; M585-K601 PolarHBondContact SD-NZ 2.98Å
586	S	92.3	Very high	84.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.1	177.3	-50.6	0	0	0	0	112.5	N521 Y576 F599 S600	N521-S586 WeakPolarHBondContact OD1-CA 3.33Å; Y576-S586 PolarHBondContact N-O 2.84Å; Y576-S586 PolarHBondContact O-N 3.1Å; S586-F599 CarbonylContact C-O 3.19Å; S586-F599 WeakPolarHBondContact CA-O 3.35Å; S586-F599 VanDerWaalsContact CB-O 3.28Å; S586-F599 WeakPolarHBondContact CB-O 3.16Å; S586-S600 WeakPolarHBondContact CB-OG 3.06Å; S586-S600 WeakPolarHBondContact OG-CB 3.38Å; S586-S600 PolarHBondContact OG-OG 2.79Å
587	T	92.4	Very high	84.5	Confident	3 Å²	3	58 Å²	58	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.9	176.5	-64.2	0	0	0	0	109.9	V520 N521 L572 V575 I598 F599	V520-T587 HydrophobicContact CG1-CG2 3.58Å; N521-T587 PolarHBondContact OD1-N 2.96Å; N521-T587 PolarHBondContact OD1-OG1 2.9Å; L572-T587 HydrophobicContact CB-CG2 4.41Å; L572-T587 HydrophobicContact CD1-CG2 4.16Å; L572-T587 HydrophobicContact CD2-CG2 3.9Å; L572-T587 HydrophobicContact CG-CG2 4.38Å; V575-T587 HydrophobicContact CG2-CG2 4.11Å; T587-I598 WeakPolarHBondContact O-CA 3.22Å; T587-F599 PolarHBondContact N-O 3.34Å; T587-F599 PolarHBondContact O-N 2.83Å
588	V	92.8	Very high	85.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.1	177	-174.6	0	0	0	0	109.7	Y573 K574 Y576 Y596 I598 W664	Y573-V588 WeakPolarHBondContact CB-O 3.39Å; Y573-V588 HydrophobicContact CD1-CG1 4.02Å; Y573-V588 PolarHBondContact N-O 3.12Å; K574-V588 HydrophobicContact CB-CB 4.28Å; K574-V588 HydrophobicContact CB-CG2 4.26Å; K574-V588 PolarHBondContact O-N 3.2Å; Y576-V588 HydrophobicContact CD2-CG2 4.41Å; Y576-V588 HydrophobicContact CE2-CG2 3.78Å; V588-Y596 HydrophobicContact CG1-CD1 4.12Å; V588-I598 HydrophobicContact CG2-CB 4.25Å; V588-I598 HydrophobicContact CG2-CD1 3.92Å; V588-I598 HydrophobicContact CG2-CG1 3.92Å; V588-W664 HydrophobicContact CB-CZ3 4.38Å; V588-W664 HydrophobicContact CG1-CE3 4.39Å; V588-W664 HydrophobicContact CG1-CH2 3.69Å; V588-W664 HydrophobicContact CG1-CZ2 4.4Å; V588-W664 HydrophobicContact CG1-CZ3 3.67Å; V588-W664 HydrophobicContact CG2-CE3 4.15Å; V588-W664 HydrophobicContact CG2-CZ3 3.77Å
589	L	92.1	Very high	86.1	Confident	14 Å²	14	49 Å²	49	7%	0.073	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	148.6	168.2	-64.4	178.6	0	0	0	110.4	V520 I567 L572 Y596 R597 F599	V520-L589 HydrophobicContact CG1-CD1 4.12Å; V520-L589 HydrophobicContact CG1-CD2 3.79Å; V520-L589 HydrophobicContact CG1-CG 4.03Å; V520-L589 HydrophobicContact CG2-CD1 4.37Å; I567-L589 HydrophobicContact CD1-CD1 4Å; I567-L589 HydrophobicContact CG2-CD2 3.74Å; L572-L589 HydrophobicContact CD2-CD2 3.66Å; L589-Y596 WeakPolarHBondContact O-CA 3.45Å; L589-R597 PolarHBondContact N-O 3.26Å; L589-R597 PolarHBondContact O-N 3.35Å; L589-F599 HydrophobicContact CD1-CD2 4.33Å; L589-F599 HydrophobicContact CD1-CE2 3.99Å
590	K	89.2	Confident	87.1	Confident	111 Å²	111	45.9 Å²	45.9	48%	0.483	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122	167.5	-171.1	169.2	-169.6	154	0	108.8	Y573 Y596	Y573-K590 HydrophobicContact CD2-CB 4.43Å; Y573-K590 HydrophobicContact CD2-CD 4.35Å; K590-Y596 HydrophobicContact CB-CD1 3.85Å; K590-Y596 HydrophobicContact CB-CE1 3.71Å; K590-Y596 HydrophobicContact CD-CD1 4.44Å; K590-Y596 HydrophobicContact CD-CE1 3.57Å; K590-Y596 WeakPolarHBondContact CE-OH 3.44Å; K590-Y596 HydrophobicContact CG-CD1 3.96Å; K590-Y596 HydrophobicContact CG-CE1 3.58Å; K590-Y596 PolarHBondContact NZ-OH 3.09Å
591	N	86.1	Confident	88.6	Confident	52 Å²	52	42.3 Å²	42.3	28%	0.278	23%	0.23	S	C	.	.			trans	-82.3	159.8	179.2	-62.8	-33.6	0	0	0	110.5	D593 G594 S595	N591-D593 WeakPolarHBondContact CB-OD1 3.42Å; N591-D593 PolarHBondContact O-N 3.23Å; N591-G594 PolarHBondContact O-N 2.89Å; N591-S595 WeakPolarHBondContact CB-O 3.43Å; N591-S595 WeakPolarHBondContact CB-OG 3.34Å; N591-S595 PolarHBondContact N-O 2.76Å; N591-S595 PolarHBondContact ND2-OG 3.22Å
592	S	83.6	Confident	89.6	Confident	140 Å²	140	36.4 Å²	36.4	98%	0.979	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.9	-178.9	51.3	0	0	0	0	114.6	G594	S592-G594 VanDerWaalsContact C-N 3.3Å
593	D	83.5	Confident	90.1	Very high	107 Å²	107	34.1 Å²	34.1	57%	0.572	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.8	171.6	67.2	-6.1	0	0	0	113.4	N591 S595 A657	N591-D593 WeakPolarHBondContact CB-OD1 3.42Å; N591-D593 PolarHBondContact O-N 3.23Å; D593-S595 VanDerWaalsContact CG-OG 3.29Å; D593-S595 VanDerWaalsContact OD1-CB 3.27Å; D593-S595 WeakPolarHBondContact OD1-CB 3.38Å; D593-S595 PolarHBondContact OD1-N 2.81Å; D593-S595 PolarHBondContact OD1-OG 3.38Å; D593-S595 PolarHBondContact OD2-OG 2.92Å; D593-A657 WeakPolarHBondContact O-CB 3.3Å
594	G	81.8	Confident	90.4	Very high	34 Å²	34	29.3 Å²	29.3	35%	0.351	17%	0.169	S	C	.	.	S	Bend	trans	85.7	-0.2	-176.6	0	0	0	0	0	114.9	N591 S592	N591-G594 PolarHBondContact O-N 2.89Å; S592-G594 VanDerWaalsContact C-N 3.3Å
595	S	90.6	Very high	90.3	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.091	18%	0.183	C	C	.	.			trans	-75.6	161.4	170.9	68.8	0	0	0	0	111.5	N591 D593 F655	N591-S595 WeakPolarHBondContact CB-O 3.43Å; N591-S595 WeakPolarHBondContact CB-OG 3.34Å; N591-S595 PolarHBondContact N-O 2.76Å; N591-S595 PolarHBondContact ND2-OG 3.22Å; D593-S595 VanDerWaalsContact CG-OG 3.29Å; D593-S595 VanDerWaalsContact OD1-CB 3.27Å; D593-S595 WeakPolarHBondContact OD1-CB 3.38Å; D593-S595 PolarHBondContact OD1-N 2.81Å; D593-S595 PolarHBondContact OD1-OG 3.38Å; D593-S595 PolarHBondContact OD2-OG 2.92Å; S595-F655 WeakPolarHBondContact CA-O 3.31Å; S595-F655 WeakPolarHBondContact CB-O 3.47Å
596	Y	91.9	Very high	90.3	Very high	16 Å²	16	33.5 Å²	33.5	6%	0.063	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.6	175.2	-64.6	-88.1	0	0	0	111.2	Y573 V588 L589 K590 F655 E661 W664	Y573-Y596 HydrophobicContact CD1-CD1 4.14Å; Y573-Y596 AromaticContact CD1-CE1 3.69Å; Y573-Y596 HydrophobicContact CD1-CE1 3.69Å; Y573-Y596 AromaticContact CD2-CE1 3.99Å; Y573-Y596 HydrophobicContact CD2-CE1 3.99Å; Y573-Y596 HydrophobicContact CE1-CD1 4.49Å; Y573-Y596 AromaticContact CE1-CE1 3.74Å; Y573-Y596 HydrophobicContact CE1-CE1 3.74Å; Y573-Y596 HydrophobicContact CE2-CE1 4.02Å; Y573-Y596 HydrophobicContact CG-CD1 4.37Å; Y573-Y596 AromaticContact CG-CE1 3.83Å; Y573-Y596 HydrophobicContact CG-CE1 3.83Å; Y573-Y596 AromaticContact CZ-CE1 3.9Å; V588-Y596 HydrophobicContact CG1-CD1 4.12Å; L589-Y596 WeakPolarHBondContact O-CA 3.45Å; K590-Y596 HydrophobicContact CB-CD1 3.85Å; K590-Y596 HydrophobicContact CB-CE1 3.71Å; K590-Y596 HydrophobicContact CD-CD1 4.44Å; K590-Y596 HydrophobicContact CD-CE1 3.57Å; K590-Y596 WeakPolarHBondContact CE-OH 3.44Å; K590-Y596 HydrophobicContact CG-CD1 3.96Å; K590-Y596 HydrophobicContact CG-CE1 3.58Å; K590-Y596 PolarHBondContact NZ-OH 3.09Å; Y596-F655 PolarHBondContact N-O 3.45Å; Y596-F655 PolarHBondContact O-N 3.22Å; Y596-E661 PolarHBondContact OH-OE1 2.91Å; Y596-W664 HydrophobicContact CD1-CH2 4.18Å; Y596-W664 AromaticContact CD1-CZ2 3.8Å; Y596-W664 HydrophobicContact CD1-CZ2 3.8Å; Y596-W664 HydrophobicContact CD2-CH2 4.39Å; Y596-W664 AromaticContact CD2-CZ2 3.79Å; Y596-W664 HydrophobicContact CD2-CZ2 3.79Å; Y596-W664 HydrophobicContact CE1-CZ2 4.06Å; Y596-W664 HydrophobicContact CE2-CZ2 4.04Å; Y596-W664 AromaticContact CG-CH2 3.92Å; Y596-W664 HydrophobicContact CG-CH2 3.92Å; Y596-W664 AromaticContact CG-CZ2 3.65Å; Y596-W664 HydrophobicContact CG-CZ2 3.65Å
597	R	92.9	Very high	90.4	Very high	54 Å²	54	33.5 Å²	33.5	20%	0.204	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.3	174.1	173.7	167.1	-74.7	158.3	-2	109.7	L589 F599 R653 D654	L589-R597 PolarHBondContact N-O 3.26Å; L589-R597 PolarHBondContact O-N 3.35Å; R597-F599 HydrophobicContact CG-CD2 4.36Å; R597-F599 HydrophobicContact CG-CE2 4.02Å; R597-F599 HydrophobicContact CG-CZ 4.19Å; R597-R653 WeakPolarHBondContact CA-O 3.47Å; R597-D654 IonicContact CZ-OD1 3.72Å; R597-D654 IonicContact CZ-OD2 3.53Å; R597-D654 IonicContact NE-OD1 3.81Å; R597-D654 PolarHBondContact NE-OD1 3.29Å; R597-D654 IonicContact NE-OD2 3.69Å; R597-D654 VanDerWaalsContact NH2-CG 3.31Å; R597-D654 IonicContact NH2-OD1 3.2Å; R597-D654 PolarHBondContact NH2-OD1 3.12Å; R597-D654 IonicContact NH2-OD2 2.77Å; R597-D654 PolarHBondContact NH2-OD2 3.04Å
598	I	94.5	Very high	90.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.7	170.3	-167.7	170.5	0	0	0	109.8	Y576 T587 V588 F652 R653 F655 I670 V671 L674	Y576-I598 HydrophobicContact CD2-CD1 4.23Å; Y576-I598 HydrophobicContact CE2-CD1 4.01Å; T587-I598 WeakPolarHBondContact O-CA 3.22Å; V588-I598 HydrophobicContact CG2-CB 4.25Å; V588-I598 HydrophobicContact CG2-CD1 3.92Å; V588-I598 HydrophobicContact CG2-CG1 3.92Å; I598-F652 CarbonylContact O-C 3.57Å; I598-F652 WeakPolarHBondContact O-CA 3.4Å; I598-F652 WeakPolarHBondContact O-CB 3.45Å; I598-R653 HydrophobicContact CG2-CB 3.74Å; I598-R653 PolarHBondContact N-O 2.89Å; I598-R653 PolarHBondContact O-N 2.7Å; I598-F655 HydrophobicContact CB-CE2 4.37Å; I598-F655 HydrophobicContact CG2-CE2 3.8Å; I598-I670 HydrophobicContact CD1-CG2 3.7Å; I598-V671 HydrophobicContact CD1-CG2 4Å; I598-L674 HydrophobicContact CG2-CD2 4.49Å
599	F	96.3	Very high	90.3	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136	165.6	-71.9	-72.3	0	0	0	109.2	T516 G517 N521 S586 T587 L589 R597 F652 I677	T516-F599 WeakPolarHBondContact OG1-CZ 3.47Å; G517-F599 VanDerWaalsContact CA-CE1 3.47Å; N521-F599 HydrophobicContact CB-CB 4.08Å; N521-F599 PolarHBondContact ND2-O 3.41Å; S586-F599 CarbonylContact C-O 3.19Å; S586-F599 WeakPolarHBondContact CA-O 3.35Å; S586-F599 VanDerWaalsContact CB-O 3.28Å; S586-F599 WeakPolarHBondContact CB-O 3.16Å; T587-F599 PolarHBondContact N-O 3.34Å; T587-F599 PolarHBondContact O-N 2.83Å; L589-F599 HydrophobicContact CD1-CD2 4.33Å; L589-F599 HydrophobicContact CD1-CE2 3.99Å; R597-F599 HydrophobicContact CG-CD2 4.36Å; R597-F599 HydrophobicContact CG-CE2 4.02Å; R597-F599 HydrophobicContact CG-CZ 4.19Å; F599-F652 HydrophobicContact CD1-CB 3.68Å; F599-F652 HydrophobicContact CE1-CB 3.89Å; F599-I677 HydrophobicContact CD1-CD1 4.49Å; F599-I677 HydrophobicContact CE1-CD1 4.48Å
600	S	95.3	Very high	90.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.1	-177.7	-63.9	0	0	0	0	111	N521 S586 A651	N521-S600 VanDerWaalsContact ND2-C 3.3Å; N521-S600 WeakPolarHBondContact ND2-CA 3.14Å; S586-S600 WeakPolarHBondContact CB-OG 3.06Å; S586-S600 WeakPolarHBondContact OG-CB 3.38Å; S586-S600 PolarHBondContact OG-OG 2.79Å; S600-A651 PolarHBondContact N-O 3.3Å; S600-A651 PolarHBondContact O-N 3.16Å
601	K	94.9	Very high	90.5	Very high	18 Å²	18	37.1 Å²	37.1	8%	0.078	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.2	174.1	78.3	-171.4	-167.3	-159.1	0	110	N521 E546 L549 S584 M585 C649 L650	N521-K601 PolarHBondContact ND2-N 2.64Å; N521-K601 VanDerWaalsContact ND2-N 3.18Å; N521-K601 WeakPolarHBondContact O-CD 3.29Å; N521-K601 WeakPolarHBondContact O-CE 3.31Å; N521-K601 PolarHBondContact O-NZ 3.27Å; E546-K601 VanDerWaalsContact CD-NZ 3.25Å; E546-K601 IonicContact OE1-NZ 3.31Å; E546-K601 PolarHBondContact OE1-NZ 3.19Å; L549-K601 HydrophobicContact CD1-CD 4.34Å; S584-K601 VanDerWaalsContact CA-O 3.3Å; S584-K601 WeakPolarHBondContact CA-O 3.41Å; S584-K601 WeakPolarHBondContact CB-O 3.23Å; M585-K601 HydrophobicContact CB-CG 4.32Å; M585-K601 PolarHBondContact N-O 3.05Å; M585-K601 PolarHBondContact O-N 3.1Å; M585-K601 VanDerWaalsContact O-O 3.1Å; M585-K601 WeakPolarHBondContact SD-CE 3.39Å; M585-K601 PolarHBondContact SD-NZ 2.98Å; K601-C649 WeakPolarHBondContact CA-O 3.4Å; K601-L650 HydrophobicContact CB-CD2 3.8Å
602	G	91.4	Very high	90.9	Very high	5 Å²	5	39.8 Å²	39.8	5%	0.052	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-171.8	177.6	0	0	0	0	0	113.7	K583 S604 I648 C649	K583-G602 VanDerWaalsContact O-CA 3.27Å; K583-G602 WeakPolarHBondContact O-CA 3.21Å; G602-S604 PolarHBondContact O-N 2.99Å; G602-I648 WeakPolarHBondContact O-CA 3.49Å; G602-C649 PolarHBondContact N-O 3.49Å; G602-C649 PolarHBondContact O-N 3.11Å
603	A	88.6	Confident	91.4	Very high	14 Å²	14	37.2 Å²	37.2	12%	0.116	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	127.4	174.4	0	0	0	0	0	110.4	K583 E605 I606 I607	K583-A603 HydrophobicContact CB-CB 3.91Å; K583-A603 HydrophobicContact CD-CB 4.29Å; K583-A603 PolarHBondContact O-N 2.95Å; A603-E605 WeakPolarHBondContact CB-OE1 3.45Å; A603-E605 PolarHBondContact O-N 3.4Å; A603-I606 HydrophobicContact CB-CD1 4.26Å; A603-I606 HydrophobicContact CB-CG1 4.38Å; A603-I606 PolarHBondContact O-N 3.35Å; A603-I607 PolarHBondContact O-N 3.48Å; A603-I607 VanDerWaalsContact O-N 3.13Å
604	S	91.7	Very high	91.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-52	-50.5	-167.7	52.8	0	0	0	0	113.6	G602 I606 I607 L608 I637 T647	G602-S604 PolarHBondContact O-N 2.99Å; S604-I606 PolarHBondContact O-N 3.29Å; S604-I607 PolarHBondContact O-N 2.91Å; S604-L608 WeakPolarHBondContact O-CB 3.27Å; S604-L608 PolarHBondContact O-N 2.95Å; S604-I637 WeakPolarHBondContact OG-CG2 3.41Å; S604-T647 PolarHBondContact N-O 2.99Å; S604-T647 VanDerWaalsContact OG-CB 3.28Å; S604-T647 WeakPolarHBondContact OG-CB 3.36Å; S604-T647 PolarHBondContact OG-OG1 2.89Å
605	E	85	Confident	92.3	Very high	70 Å²	70	31.3 Å²	31.3	33%	0.327	14%	0.144	S	C	.	.	H	α-helix	trans	-68.6	-8.2	-178.1	71.4	-71.3	173.4	0	0	114.6	A603 K609	A603-E605 WeakPolarHBondContact CB-OE1 3.45Å; A603-E605 PolarHBondContact O-N 3.4Å; E605-K609 WeakPolarHBondContact O-CD 3.49Å; E605-K609 VanDerWaalsContact O-CE 3.24Å; E605-K609 WeakPolarHBondContact O-CE 3.43Å; E605-K609 WeakPolarHBondContact O-CG 3.32Å
606	I	89.9	Confident	92.1	Very high	46 Å²	46	31.5 Å²	31.5	24%	0.236	15%	0.145	C	C	.	.	H	α-helix	trans	-102.2	-50.7	175	-60.9	-177.5	0	0	0	110.3	K583 A603 S604 L608 K609 K610	K583-I606 HydrophobicContact CB-CD1 4.1Å; K583-I606 HydrophobicContact CD-CD1 4.02Å; K583-I606 HydrophobicContact CG-CD1 4.26Å; A603-I606 HydrophobicContact CB-CD1 4.26Å; A603-I606 HydrophobicContact CB-CG1 4.38Å; A603-I606 PolarHBondContact O-N 3.35Å; S604-I606 PolarHBondContact O-N 3.29Å; I606-L608 PolarHBondContact O-N 3.2Å; I606-K609 PolarHBondContact O-N 2.84Å; I606-K610 PolarHBondContact O-N 3.13Å
607	I	93.2	Very high	91.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-39.5	178.3	-64.2	-63.5	0	0	0	110.9	A603 S604 K609 K610 C611 C649 A651 L674	A603-I607 PolarHBondContact O-N 3.48Å; A603-I607 VanDerWaalsContact O-N 3.13Å; S604-I607 PolarHBondContact O-N 2.91Å; I607-K609 VanDerWaalsContact C-N 3.26Å; I607-K609 PolarHBondContact O-N 2.95Å; I607-K610 CarbonylContact O-C 3.5Å; I607-K610 WeakPolarHBondContact O-CA 3.43Å; I607-K610 WeakPolarHBondContact O-CB 3.4Å; I607-K610 PolarHBondContact O-N 3.18Å; I607-C611 PolarHBondContact O-N 2.91Å; I607-C611 PolarHBondContact O-SG 3.03Å; I607-C649 HydrophobicContact CB-CB 3.97Å; I607-C649 HydrophobicContact CG2-CB 4Å; I607-A651 HydrophobicContact CG2-CB 3.75Å; I607-L674 HydrophobicContact CG2-CD1 4.29Å
608	L	92.4	Very high	91.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-32.5	179.5	-153.6	78.6	0	0	0	112.3	S604 I606 C611 F624 R629 I632 V633 I637 C676 V679	S604-L608 WeakPolarHBondContact O-CB 3.27Å; S604-L608 PolarHBondContact O-N 2.95Å; I606-L608 PolarHBondContact O-N 3.2Å; L608-C611 PolarHBondContact O-N 3.44Å; L608-F624 HydrophobicContact CD1-CE1 3.57Å; L608-F624 HydrophobicContact CD1-CZ 3.74Å; L608-F624 HydrophobicContact CD2-CE1 4.48Å; L608-F624 HydrophobicContact CD2-CZ 4.09Å; L608-F624 HydrophobicContact CG-CE1 3.71Å; L608-F624 HydrophobicContact CG-CZ 3.82Å; L608-R629 HydrophobicContact CD2-CB 4.29Å; L608-I632 HydrophobicContact CD2-CB 4.29Å; L608-I632 HydrophobicContact CD2-CG2 3.91Å; L608-V633 HydrophobicContact CD2-CG2 3.96Å; L608-I637 HydrophobicContact CD2-CD1 4.03Å; L608-C676 HydrophobicContact CD1-CB 4.43Å; L608-V679 HydrophobicContact CD1-CG2 4.31Å
609	K	91.1	Very high	90.5	Very high	151 Å²	151	36.9 Å²	36.9	66%	0.657	19%	0.189	S	C	*	.	H	α-helix	trans	-67.2	-36.8	172.9	-68.9	178.6	-176	179.1	0	112.2	E605 I606 I607 C611 R629	E605-K609 WeakPolarHBondContact O-CD 3.49Å; E605-K609 VanDerWaalsContact O-CE 3.24Å; E605-K609 WeakPolarHBondContact O-CE 3.43Å; E605-K609 WeakPolarHBondContact O-CG 3.32Å; I606-K609 PolarHBondContact O-N 2.84Å; I607-K609 VanDerWaalsContact C-N 3.26Å; I607-K609 PolarHBondContact O-N 2.95Å; K609-C611 VanDerWaalsContact C-N 3.3Å; K609-R629 PolarHBondContact O-NH1 3.11Å
610	K	92.6	Very high	90.1	Very high	51 Å²	51	43.1 Å²	43.1	22%	0.222	22%	0.218	C	C	.	.	H	α-helix	trans	-75.7	-9.8	174.5	-78.8	164.5	164.3	-90.6	0	113.8	I606 I607 V671 T672 G673 L674	I606-K610 PolarHBondContact O-N 3.13Å; I607-K610 CarbonylContact O-C 3.5Å; I607-K610 WeakPolarHBondContact O-CA 3.43Å; I607-K610 WeakPolarHBondContact O-CB 3.4Å; I607-K610 PolarHBondContact O-N 3.18Å; K610-V671 HydrophobicContact CD-CG1 4.31Å; K610-V671 WeakPolarHBondContact CD-O 3.34Å; K610-V671 WeakPolarHBondContact CE-O 3.42Å; K610-V671 WeakPolarHBondContact CG-O 3.46Å; K610-V671 PolarHBondContact NZ-O 2.95Å; K610-T672 CarbonylContact O-C 3.6Å; K610-G673 PolarHBondContact O-N 3.03Å; K610-L674 HydrophobicContact CB-CD1 4.08Å; K610-L674 PolarHBondContact O-N 2.67Å
611	C	93.9	Very high	89.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.9	176.5	-65.6	0	0	0	0	112.4	I607 L608 K609 F624 R629 L674 C676	I607-C611 PolarHBondContact O-N 2.91Å; I607-C611 PolarHBondContact O-SG 3.03Å; L608-C611 PolarHBondContact O-N 3.44Å; K609-C611 VanDerWaalsContact C-N 3.3Å; C611-F624 HydrophobicContact CB-CD1 3.91Å; C611-F624 HydrophobicContact CB-CE1 4.13Å; C611-R629 PolarHBondContact O-NE 2.95Å; C611-R629 PolarHBondContact O-NH1 3.14Å; C611-R629 VanDerWaalsContact O-NH1 3.14Å; C611-R629 PolarHBondContact O-NH2 3.43Å; C611-R629 VanDerWaalsContact O-NH2 3.13Å; C611-L674 CarbonylContact C-O 3.46Å; C611-L674 WeakPolarHBondContact CA-O 3.31Å; C611-L674 HydrophobicContact CB-CB 4.49Å; C611-C676 HydrophobicContact CB-CB 4.22Å
612	F	93.3	Very high	89.6	Confident	108 Å²	108	49.4 Å²	49.4	47%	0.474	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-19.7	170.8	-175.2	-99.6	0	0	0	113.3	V623 F624 L674	F612-V623 HydrophobicContact CE1-CG1 4.37Å; F612-V623 HydrophobicContact CZ-CG1 4.22Å; F612-F624 WeakPolarHBondContact O-CB 3.49Å; F612-F624 PolarHBondContact O-N 2.74Å; F612-L674 PolarHBondContact N-O 3.25Å
613	K	93.8	Very high	89.6	Confident	85 Å²	85	53 Å²	53	37%	0.37	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	165.7	178	-55.3	-179.9	-169.6	172.4	0	111.7	A621 K622 L674 T675 C676	K613-A621 HydrophobicContact CB-CB 4.45Å; K613-A621 HydrophobicContact CD-CB 3.99Å; K613-K622 CarbonylContact C-O 3.46Å; K613-K622 WeakPolarHBondContact CA-O 3.41Å; K613-K622 WeakPolarHBondContact CB-O 3.29Å; K613-L674 PolarHBondContact N-O 3.16Å; K613-T675 HydrophobicContact CB-CG2 3.77Å; K613-T675 WeakPolarHBondContact O-CA 3.2Å; K613-C676 PolarHBondContact O-N 3.28Å
614	I	93.3	Very high	89.6	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.6	171.7	-171.8	163.2	0	0	0	109.9	Y491 S616 K622 F624 I632 C676	Y491-I614 HydrophobicContact CE1-CD1 4.29Å; I614-S616 PolarHBondContact O-N 2.96Å; I614-K622 HydrophobicContact CG2-CB 4.34Å; I614-K622 PolarHBondContact N-O 3.09Å; I614-K622 PolarHBondContact O-N 3.21Å; I614-F624 HydrophobicContact CB-CB 4.2Å; I614-F624 HydrophobicContact CB-CD1 4.21Å; I614-F624 HydrophobicContact CB-CD2 4.2Å; I614-F624 HydrophobicContact CB-CG 3.98Å; I614-F624 HydrophobicContact CD1-CD2 4.47Å; I614-F624 HydrophobicContact CD1-CE2 4.13Å; I614-F624 HydrophobicContact CD1-CZ 4.18Å; I614-F624 HydrophobicContact CG2-CB 4.07Å; I614-F624 HydrophobicContact CG2-CD2 4Å; I614-F624 HydrophobicContact CG2-CG 4.09Å; I614-I632 HydrophobicContact CD1-CD1 3.73Å; I614-C676 HydrophobicContact CB-CB 4.26Å; I614-C676 HydrophobicContact CD1-CB 4.49Å; I614-C676 HydrophobicContact CG1-CB 4.06Å
615	L	91.7	Very high	89.6	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.9	173.2	-61.9	-176.5	0	0	0	110.9	I510 Y513 E620 A621 F652 T675 C676 I677	I510-L615 HydrophobicContact CD1-CB 4.27Å; I510-L615 HydrophobicContact CG1-CB 4.44Å; I510-L615 HydrophobicContact CG1-CD1 4.14Å; I510-L615 HydrophobicContact CG2-CD1 4.36Å; Y513-L615 HydrophobicContact CD2-CD1 3.95Å; L615-E620 WeakPolarHBondContact CA-O 3.44Å; L615-A621 HydrophobicContact CD2-CB 4.3Å; L615-F652 HydrophobicContact CD1-CE1 4.31Å; L615-F652 HydrophobicContact CD2-CE1 4.25Å; L615-F652 HydrophobicContact CG-CE1 4.48Å; L615-T675 HydrophobicContact CD2-CG2 3.83Å; L615-T675 HydrophobicContact CG-CG2 4.14Å; L615-C676 PolarHBondContact N-O 3.07Å; L615-I677 HydrophobicContact CD1-CB 4.35Å; L615-I677 HydrophobicContact CD1-CG1 4.3Å; L615-I677 HydrophobicContact CD1-CG2 4.09Å
616	S	87.4	Confident	89.7	Confident	17 Å²	17	61.1 Å²	61.1	12%	0.119	31%	0.312	C	S	.	.			trans	-74	174.1	176.5	-75.2	0	0	0	0	113.1	E494 I614 N618 G619 E620 K622	E494-S616 WeakPolarHBondContact OE1-CA 3.22Å; E494-S616 VanDerWaalsContact OE1-CB 3.31Å; E494-S616 WeakPolarHBondContact OE1-CB 3.11Å; E494-S616 PolarHBondContact OE1-OG 3.3Å; I614-S616 PolarHBondContact O-N 2.96Å; S616-N618 PolarHBondContact O-N 3.45Å; S616-G619 PolarHBondContact O-N 2.67Å; S616-E620 PolarHBondContact N-O 3.32Å; S616-K622 VanDerWaalsContact OG-CB 3.29Å; S616-K622 WeakPolarHBondContact OG-CB 3.47Å; S616-K622 WeakPolarHBondContact OG-CD 3.28Å
617	A	83.4	Confident	89.7	Confident	51 Å²	51	68 Å²	68	42%	0.421	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-31.3	179.6	0	0	0	0	0	115	P507	P507-A617 WeakPolarHBondContact CG-O 3.43Å
618	N	80.6	Confident	89.4	Confident	122 Å²	122	70.4 Å²	70.4	65%	0.652	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.5	-179.9	-59.9	-7.4	0	0	0	114	S616 E620	S616-N618 PolarHBondContact O-N 3.45Å; N618-E620 HydrophobicContact CB-CG 4.38Å
619	G	80.8	Confident	89.2	Confident	11 Å²	11	72.4 Å²	72.4	11%	0.113	36%	0.355	C	S	.	.	S	Bend	trans	84.9	4.8	-171.9	0	0	0	0	0	115.4	S616	S616-G619 PolarHBondContact O-N 2.67Å
620	E	87.6	Confident	89	Confident	134 Å²	134	70 Å²	70	63%	0.626	35%	0.349	S	S	*	.			trans	-83.1	149.5	176.2	-63.2	178.8	153.8	0	0	112.1	L615 S616 N618 K622	L615-E620 WeakPolarHBondContact CA-O 3.44Å; S616-E620 PolarHBondContact N-O 3.32Å; N618-E620 HydrophobicContact CB-CG 4.38Å; E620-K622 PolarHBondContact O-N 3.3Å
621	A	88.6	Confident	88.9	Confident	53 Å²	53	71.1 Å²	71.1	44%	0.438	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	97.2	-177.2	0	0	0	0	0	112.4	K613 L615 T675	K613-A621 HydrophobicContact CB-CB 4.45Å; K613-A621 HydrophobicContact CD-CB 3.99Å; L615-A621 HydrophobicContact CD2-CB 4.3Å; A621-T675 HydrophobicContact CB-CG2 4.16Å
622	K	91.1	Very high	88.7	Confident	99 Å²	99	71.7 Å²	71.7	43%	0.43	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	145.1	179.8	175.7	177.5	167.6	-173.7	0	111.4	E494 K613 I614 S616 E620 F624	E494-K622 WeakPolarHBondContact OE1-CD 3.47Å; E494-K622 IonicContact OE1-NZ 3.82Å; E494-K622 PolarHBondContact OE1-NZ 3.03Å; E494-K622 IonicContact OE2-NZ 3.19Å; E494-K622 PolarHBondContact OE2-NZ 3.27Å; K613-K622 CarbonylContact C-O 3.46Å; K613-K622 WeakPolarHBondContact CA-O 3.41Å; K613-K622 WeakPolarHBondContact CB-O 3.29Å; I614-K622 HydrophobicContact CG2-CB 4.34Å; I614-K622 PolarHBondContact N-O 3.09Å; I614-K622 PolarHBondContact O-N 3.21Å; S616-K622 VanDerWaalsContact OG-CB 3.29Å; S616-K622 WeakPolarHBondContact OG-CB 3.47Å; S616-K622 WeakPolarHBondContact OG-CD 3.28Å; E620-K622 PolarHBondContact O-N 3.3Å; K622-F624 PolarHBondContact O-N 3.29Å
623	V	91.9	Very high	88.6	Confident	82 Å²	82	68.1 Å²	68.1	50%	0.497	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	128.2	175.7	178.6	0	0	0	0	109.8	F612	F612-V623 HydrophobicContact CE1-CG1 4.37Å; F612-V623 HydrophobicContact CZ-CG1 4.22Å
624	F	89.4	Confident	88.4	Confident	2 Å²	2	71 Å²	71	1%	0.009	36%	0.36	C	S	.	.			trans	-110.9	95.9	-170.8	-172.7	-149.8	0	0	0	109.7	L608 C611 F612 I614 K622 D628 R629 I632 C676	L608-F624 HydrophobicContact CD1-CE1 3.57Å; L608-F624 HydrophobicContact CD1-CZ 3.74Å; L608-F624 HydrophobicContact CD2-CE1 4.48Å; L608-F624 HydrophobicContact CD2-CZ 4.09Å; L608-F624 HydrophobicContact CG-CE1 3.71Å; L608-F624 HydrophobicContact CG-CZ 3.82Å; C611-F624 HydrophobicContact CB-CD1 3.91Å; C611-F624 HydrophobicContact CB-CE1 4.13Å; F612-F624 WeakPolarHBondContact O-CB 3.49Å; F612-F624 PolarHBondContact O-N 2.74Å; I614-F624 HydrophobicContact CB-CB 4.2Å; I614-F624 HydrophobicContact CB-CD1 4.21Å; I614-F624 HydrophobicContact CB-CD2 4.2Å; I614-F624 HydrophobicContact CB-CG 3.98Å; I614-F624 HydrophobicContact CD1-CD2 4.47Å; I614-F624 HydrophobicContact CD1-CE2 4.13Å; I614-F624 HydrophobicContact CD1-CZ 4.18Å; I614-F624 HydrophobicContact CG2-CB 4.07Å; I614-F624 HydrophobicContact CG2-CD2 4Å; I614-F624 HydrophobicContact CG2-CG 4.09Å; K622-F624 PolarHBondContact O-N 3.29Å; F624-D628 HydrophobicContact CD2-CB 3.66Å; F624-D628 HydrophobicContact CE2-CB 3.84Å; F624-R629 HydrophobicContact CD1-CG 3.83Å; F624-R629 HydrophobicContact CD2-CG 4.1Å; F624-R629 HydrophobicContact CE1-CB 4.49Å; F624-R629 HydrophobicContact CE1-CG 3.59Å; F624-R629 HydrophobicContact CE2-CB 4.39Å; F624-R629 HydrophobicContact CE2-CG 3.84Å; F624-R629 HydrophobicContact CG-CG 4.08Å; F624-R629 HydrophobicContact CZ-CB 4.1Å; F624-R629 HydrophobicContact CZ-CG 3.58Å; F624-R629 PolarHBondContact O-NE 3.19Å; F624-R629 PolarHBondContact O-NH2 2.99Å; F624-I632 HydrophobicContact CE2-CD1 3.79Å; F624-I632 HydrophobicContact CZ-CD1 3.93Å; F624-C676 HydrophobicContact CE1-CB 4.28Å
625	R	90.4	Very high	88.2	Confident	166 Å²	166	74.6 Å²	74.6	63%	0.626	38%	0.383	S	S	*	.			trans	-74.8	159.1	-171.2	-55.1	168.8	174.8	-176.7	-2.9	110.6	R627 D628 R629	R625-R627 VanDerWaalsContact C-N 3.27Å; R625-R627 PolarHBondContact O-N 3.17Å; R625-D628 VanDerWaalsContact CB-OD2 3.22Å; R625-D628 WeakPolarHBondContact CB-OD2 3.38Å; R625-D628 WeakPolarHBondContact CG-OD2 3.22Å; R625-D628 PolarHBondContact N-OD2 3.42Å; R625-D628 WeakPolarHBondContact O-CB 3.45Å; R625-D628 PolarHBondContact O-N 3.22Å; R625-R629 WeakPolarHBondContact O-CG 3.46Å; R625-R629 PolarHBondContact O-N 3.09Å; R625-R629 VanDerWaalsContact O-N 3.09Å
626	P	88.1	Confident	88.2	Confident	86 Å²	86	74.6 Å²	74.6	56%	0.558	38%	0.383	S	S	*	.	H	α-helix	trans	-52.5	-44.6	177.8	-28.7	36.4	0	0	0	113.1	D628 R629 D630	P626-D628 PolarHBondContact O-N 2.78Å; P626-R629 WeakPolarHBondContact O-CB 3.46Å; P626-R629 PolarHBondContact O-N 2.94Å; P626-R629 VanDerWaalsContact O-N 3.09Å; P626-D630 PolarHBondContact O-N 2.93Å
627	R	88.6	Confident	88.4	Confident	190 Å²	190	74.2 Å²	74.2	72%	0.717	38%	0.38	S	S	*	.	H	α-helix	trans	-56.6	-46.2	174.6	-178.4	172.8	-178.8	159.2	3.6	112.9	R625 R629 D630 D631	R625-R627 VanDerWaalsContact C-N 3.27Å; R625-R627 PolarHBondContact O-N 3.17Å; R627-R629 PolarHBondContact O-N 2.92Å; R627-D630 PolarHBondContact O-N 3.11Å; R627-D631 WeakPolarHBondContact CG-OD2 3.34Å; R627-D631 IonicContact NE-OD2 3.21Å; R627-D631 WeakPolarHBondContact O-CB 3.49Å; R627-D631 PolarHBondContact O-N 3.08Å
628	D	87.5	Confident	88.6	Confident	50 Å²	50	77.1 Å²	77.1	27%	0.267	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-32.8	179.3	-42.7	-22.4	0	0	0	111.3	F624 R625 P626 I632	F624-D628 HydrophobicContact CD2-CB 3.66Å; F624-D628 HydrophobicContact CE2-CB 3.84Å; R625-D628 VanDerWaalsContact CB-OD2 3.22Å; R625-D628 WeakPolarHBondContact CB-OD2 3.38Å; R625-D628 WeakPolarHBondContact CG-OD2 3.22Å; R625-D628 PolarHBondContact N-OD2 3.42Å; R625-D628 WeakPolarHBondContact O-CB 3.45Å; R625-D628 PolarHBondContact O-N 3.22Å; P626-D628 PolarHBondContact O-N 2.78Å; D628-I632 WeakPolarHBondContact O-CG1 3.41Å; D628-I632 PolarHBondContact O-N 3.22Å; D628-I632 VanDerWaalsContact O-N 3.12Å
629	R	88.3	Confident	89.1	Confident	44 Å²	44	73.2 Å²	73.2	17%	0.166	37%	0.366	C	S	.	.	H	α-helix	trans	-69.2	-48.6	174.8	-58.8	166.1	-153.9	-170.7	6.8	110.8	L608 K609 C611 F624 R625 P626 R627 D631 I632 V633	L608-R629 HydrophobicContact CD2-CB 4.29Å; K609-R629 PolarHBondContact O-NH1 3.11Å; C611-R629 PolarHBondContact O-NE 2.95Å; C611-R629 PolarHBondContact O-NH1 3.14Å; C611-R629 VanDerWaalsContact O-NH1 3.14Å; C611-R629 PolarHBondContact O-NH2 3.43Å; C611-R629 VanDerWaalsContact O-NH2 3.13Å; F624-R629 HydrophobicContact CD1-CG 3.83Å; F624-R629 HydrophobicContact CD2-CG 4.1Å; F624-R629 HydrophobicContact CE1-CB 4.49Å; F624-R629 HydrophobicContact CE1-CG 3.59Å; F624-R629 HydrophobicContact CE2-CB 4.39Å; F624-R629 HydrophobicContact CE2-CG 3.84Å; F624-R629 HydrophobicContact CG-CG 4.08Å; F624-R629 HydrophobicContact CZ-CB 4.1Å; F624-R629 HydrophobicContact CZ-CG 3.58Å; F624-R629 PolarHBondContact O-NE 3.19Å; F624-R629 PolarHBondContact O-NH2 2.99Å; R625-R629 WeakPolarHBondContact O-CG 3.46Å; R625-R629 PolarHBondContact O-N 3.09Å; R625-R629 VanDerWaalsContact O-N 3.09Å; P626-R629 WeakPolarHBondContact O-CB 3.46Å; P626-R629 PolarHBondContact O-N 2.94Å; P626-R629 VanDerWaalsContact O-N 3.09Å; R627-R629 PolarHBondContact O-N 2.92Å; R629-D631 VanDerWaalsContact C-N 3.35Å; R629-I632 PolarHBondContact O-N 3.1Å; R629-V633 WeakPolarHBondContact O-CG2 3.28Å; R629-V633 PolarHBondContact O-N 2.99Å
630	D	87.4	Confident	89.5	Confident	100 Å²	100	72.7 Å²	72.7	54%	0.535	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-38.1	-179.9	-63.1	-30.3	0	0	0	111.5	P626 R627 V633 K634	P626-D630 PolarHBondContact O-N 2.93Å; R627-D630 PolarHBondContact O-N 3.11Å; D630-V633 PolarHBondContact O-N 3.37Å; D630-K634 WeakPolarHBondContact O-CB 3.33Å; D630-K634 PolarHBondContact O-N 3.45Å
631	D	89.7	Confident	89.3	Confident	75 Å²	75	68.3 Å²	68.3	40%	0.401	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-41.2	173.1	-76.4	-31.5	0	0	0	110.9	R627 R629 K634 T635	R627-D631 WeakPolarHBondContact CG-OD2 3.34Å; R627-D631 IonicContact NE-OD2 3.21Å; R627-D631 WeakPolarHBondContact O-CB 3.49Å; R627-D631 PolarHBondContact O-N 3.08Å; R629-D631 VanDerWaalsContact C-N 3.35Å; D631-K634 PolarHBondContact O-N 3.48Å; D631-T635 VanDerWaalsContact O-CB 3.3Å; D631-T635 WeakPolarHBondContact O-CB 3.35Å; D631-T635 WeakPolarHBondContact O-CG2 3.43Å; D631-T635 PolarHBondContact O-N 3.29Å; D631-T635 PolarHBondContact O-OG1 2.92Å
632	I	90.7	Very high	88.9	Confident	14 Å²	14	69.2 Å²	69.2	7%	0.072	35%	0.351	C	S	.	.	H	α-helix	trans	-67.8	-38.1	172.3	-74.3	-179.5	0	0	0	112.2	Y491 L608 I614 F624 D628 R629 K634 V636 I637	Y491-I632 HydrophobicContact CE1-CD1 3.7Å; Y491-I632 HydrophobicContact CE1-CG1 4.46Å; L608-I632 HydrophobicContact CD2-CB 4.29Å; L608-I632 HydrophobicContact CD2-CG2 3.91Å; I614-I632 HydrophobicContact CD1-CD1 3.73Å; F624-I632 HydrophobicContact CE2-CD1 3.79Å; F624-I632 HydrophobicContact CZ-CD1 3.93Å; D628-I632 WeakPolarHBondContact O-CG1 3.41Å; D628-I632 PolarHBondContact O-N 3.22Å; D628-I632 VanDerWaalsContact O-N 3.12Å; R629-I632 PolarHBondContact O-N 3.1Å; I632-K634 VanDerWaalsContact C-N 3.32Å; I632-K634 PolarHBondContact O-N 3.01Å; I632-V636 HydrophobicContact CG2-CB 4.34Å; I632-V636 HydrophobicContact CG2-CG2 4.38Å; I632-V636 WeakPolarHBondContact O-CA 3.45Å; I632-V636 VanDerWaalsContact O-CB 3.31Å; I632-V636 WeakPolarHBondContact O-CB 3.47Å; I632-V636 PolarHBondContact O-N 3.39Å; I632-I637 PolarHBondContact O-N 3.1Å
633	V	89.8	Confident	88.6	Confident	33 Å²	33	67.4 Å²	67.4	20%	0.2	34%	0.343	C	S	.	.	I	π-helix	trans	-57.6	-49.1	174.2	169.9	0	0	0	0	109.9	L608 R629 D630 I637 E638	L608-V633 HydrophobicContact CD2-CG2 3.96Å; R629-V633 WeakPolarHBondContact O-CG2 3.28Å; R629-V633 PolarHBondContact O-N 2.99Å; D630-V633 PolarHBondContact O-N 3.37Å; V633-I637 HydrophobicContact CG2-CD1 4.02Å; V633-I637 WeakPolarHBondContact O-CB 3.46Å; V633-I637 PolarHBondContact O-N 3.03Å; V633-E638 HydrophobicContact CG1-CG 4.48Å; V633-E638 PolarHBondContact O-N 3.42Å
634	K	89.5	Confident	88	Confident	144 Å²	144	63.8 Å²	63.8	63%	0.626	32%	0.323	S	S	*	.	I	π-helix	trans	-75.3	-34.4	-175.8	-169.2	171.8	-173.9	174.1	0	114.8	D630 D631 I632 P639	D630-K634 WeakPolarHBondContact O-CB 3.33Å; D630-K634 PolarHBondContact O-N 3.45Å; D631-K634 PolarHBondContact O-N 3.48Å; I632-K634 VanDerWaalsContact C-N 3.32Å; I632-K634 PolarHBondContact O-N 3.01Å; K634-P639 WeakPolarHBondContact O-CD 3.28Å
635	T	90.7	Very high	87.9	Confident	89 Å²	89	64.1 Å²	64.1	55%	0.546	33%	0.325	S	S	.	.	I	π-helix	trans	-96	-15.1	-175.3	61.4	0	0	0	0	114.4	D631	D631-T635 VanDerWaalsContact O-CB 3.3Å; D631-T635 WeakPolarHBondContact O-CB 3.35Å; D631-T635 WeakPolarHBondContact O-CG2 3.43Å; D631-T635 PolarHBondContact O-N 3.29Å; D631-T635 PolarHBondContact O-OG1 2.92Å
636	V	91.3	Very high	87.7	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.024	32%	0.317	C	S	.	.	I	π-helix	trans	-127.1	-55.6	-177.1	-173.3	0	0	0	0	111.9	Y491 I632 M640	Y491-V636 HydrophobicContact CD2-CB 4.45Å; Y491-V636 HydrophobicContact CD2-CG1 3.94Å; Y491-V636 HydrophobicContact CD2-CG2 3.66Å; Y491-V636 HydrophobicContact CE2-CG2 3.83Å; Y491-V636 HydrophobicContact CG-CG1 4.05Å; Y491-V636 HydrophobicContact CG-CG2 4.35Å; I632-V636 HydrophobicContact CG2-CB 4.34Å; I632-V636 HydrophobicContact CG2-CG2 4.38Å; I632-V636 WeakPolarHBondContact O-CA 3.45Å; I632-V636 VanDerWaalsContact O-CB 3.31Å; I632-V636 WeakPolarHBondContact O-CB 3.47Å; I632-V636 PolarHBondContact O-N 3.39Å; V636-M640 HydrophobicContact CG1-CE 3.69Å; V636-M640 HydrophobicContact CG1-SD 4.24Å; V636-M640 WeakPolarHBondContact O-CB 3.36Å; V636-M640 VanDerWaalsContact O-CG 3.28Å; V636-M640 WeakPolarHBondContact O-CG 3.41Å; V636-M640 PolarHBondContact O-N 2.97Å
637	I	90.8	Very high	87.9	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.051	30%	0.295	C	S	.	.	I	π-helix	trans	-71.6	-46.6	-172.3	-64.7	167.5	0	0	0	111.5	S604 L608 I632 V633 M640 A641 T647 V679	S604-I637 WeakPolarHBondContact OG-CG2 3.41Å; L608-I637 HydrophobicContact CD2-CD1 4.03Å; I632-I637 PolarHBondContact O-N 3.1Å; V633-I637 HydrophobicContact CG2-CD1 4.02Å; V633-I637 WeakPolarHBondContact O-CB 3.46Å; V633-I637 PolarHBondContact O-N 3.03Å; I637-M640 PolarHBondContact O-N 3.05Å; I637-A641 WeakPolarHBondContact O-CB 3.26Å; I637-A641 PolarHBondContact O-N 3.06Å; I637-T647 HydrophobicContact CG2-CG2 4.25Å; I637-V679 HydrophobicContact CD1-CG1 4.47Å; I637-V679 HydrophobicContact CG1-CG1 4.11Å
638	E	88.7	Confident	88.1	Confident	111 Å²	111	50.3 Å²	50.3	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-46.8	176.1	-77.3	179.1	-179.9	0	0	112.1	V633 A641 S642	V633-E638 HydrophobicContact CG1-CG 4.48Å; V633-E638 PolarHBondContact O-N 3.42Å; E638-A641 PolarHBondContact O-N 2.94Å; E638-S642 WeakPolarHBondContact O-CB 3.46Å; E638-S642 PolarHBondContact O-N 3.36Å; E638-S642 PolarHBondContact O-OG 3.46Å
639	P	90.4	Very high	88.5	Confident	41 Å²	41	47.9 Å²	47.9	27%	0.266	25%	0.251	S	S	.	.	H	α-helix	trans	-56.5	-49.6	169.9	-31.6	38.9	0	0	0	113.9	K634 A641 S642 E643	K634-P639 WeakPolarHBondContact O-CD 3.28Å; P639-A641 VanDerWaalsContact C-N 3.33Å; P639-A641 PolarHBondContact O-N 3.47Å; P639-S642 WeakPolarHBondContact CA-OG 3.42Å; P639-S642 PolarHBondContact O-N 3.08Å; P639-S642 VanDerWaalsContact O-N 3.15Å; P639-S642 PolarHBondContact O-OG 3.1Å; P639-E643 PolarHBondContact O-N 3.28Å
640	M	89.9	Confident	88.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-45.8	177	-76.4	-177	-177.3	0	0	111.8	Q489 H496 V636 I637 S642 E643 G644 L645 T647	Q489-M640 HydrophobicContact CB-CE 3.94Å; H496-M640 WeakPolarHBondContact NE2-CE 3.36Å; V636-M640 HydrophobicContact CG1-CE 3.69Å; V636-M640 HydrophobicContact CG1-SD 4.24Å; V636-M640 WeakPolarHBondContact O-CB 3.36Å; V636-M640 VanDerWaalsContact O-CG 3.28Å; V636-M640 WeakPolarHBondContact O-CG 3.41Å; V636-M640 PolarHBondContact O-N 2.97Å; I637-M640 PolarHBondContact O-N 3.05Å; M640-S642 VanDerWaalsContact C-N 3.34Å; M640-S642 PolarHBondContact O-N 3.05Å; M640-E643 PolarHBondContact O-N 2.89Å; M640-G644 PolarHBondContact O-N 3.39Å; M640-L645 HydrophobicContact CB-CB 4.3Å; M640-L645 HydrophobicContact CB-CD1 4.06Å; M640-L645 HydrophobicContact CG-CD1 4.09Å; M640-L645 VanDerWaalsContact O-CB 3.26Å; M640-L645 WeakPolarHBondContact O-CB 3.34Å; M640-L645 WeakPolarHBondContact O-CG 3.48Å; M640-L645 PolarHBondContact O-N 2.86Å; M640-T647 HydrophobicContact CB-CG2 3.51Å; M640-T647 HydrophobicContact CG-CG2 4.29Å; M640-T647 HydrophobicContact SD-CG2 3.81Å
641	A	82.1	Confident	89.3	Confident	41 Å²	41	41.6 Å²	41.6	34%	0.339	22%	0.221	S	C	.	.	H	α-helix	trans	-67.5	-31.8	178.4	0	0	0	0	0	112.9	I637 E638 P639 G644	I637-A641 WeakPolarHBondContact O-CB 3.26Å; I637-A641 PolarHBondContact O-N 3.06Å; E638-A641 PolarHBondContact O-N 2.94Å; P639-A641 VanDerWaalsContact C-N 3.33Å; P639-A641 PolarHBondContact O-N 3.47Å; A641-G644 WeakPolarHBondContact O-CA 3.29Å; A641-G644 PolarHBondContact O-N 2.8Å; A641-G644 VanDerWaalsContact O-N 3.12Å
642	S	81.5	Confident	89.6	Confident	73 Å²	73	38.4 Å²	38.4	51%	0.51	20%	0.204	S	C	.	.	H	α-helix	trans	-74.3	-30.1	175	72.9	0	0	0	0	113.2	E638 P639 M640 G644	E638-S642 WeakPolarHBondContact O-CB 3.46Å; E638-S642 PolarHBondContact O-N 3.36Å; E638-S642 PolarHBondContact O-OG 3.46Å; P639-S642 WeakPolarHBondContact CA-OG 3.42Å; P639-S642 PolarHBondContact O-N 3.08Å; P639-S642 VanDerWaalsContact O-N 3.15Å; P639-S642 PolarHBondContact O-OG 3.1Å; M640-S642 VanDerWaalsContact C-N 3.34Å; M640-S642 PolarHBondContact O-N 3.05Å; S642-G644 PolarHBondContact O-N 3.08Å
643	E	84.2	Confident	89.8	Confident	60 Å²	60	40.8 Å²	40.8	28%	0.28	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	0.5	166	-69.2	-176.7	-171	0	0	113	Q489 K498 P639 M640 L645 A717	Q489-E643 PolarHBondContact NE2-OE2 3.26Å; K498-E643 IonicContact NZ-OE1 3.19Å; K498-E643 PolarHBondContact NZ-OE1 3.18Å; P639-E643 PolarHBondContact O-N 3.28Å; M640-E643 PolarHBondContact O-N 2.89Å; E643-L645 HydrophobicContact CB-CG 4.43Å; E643-A717 WeakPolarHBondContact O-CB 3.24Å
644	G	79.2	Confident	89.9	Confident	7 Å²	7	42.6 Å²	42.6	7%	0.072	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	3	173	0	0	0	0	0	115.6	M640 A641 S642 T714	M640-G644 PolarHBondContact O-N 3.39Å; A641-G644 WeakPolarHBondContact O-CA 3.29Å; A641-G644 PolarHBondContact O-N 2.8Å; A641-G644 VanDerWaalsContact O-N 3.12Å; S642-G644 PolarHBondContact O-N 3.08Å; G644-T714 WeakPolarHBondContact CA-OG1 3.48Å; G644-T714 WeakPolarHBondContact O-CG2 3.44Å; G644-T714 PolarHBondContact O-OG1 3.24Å
645	L	87.8	Confident	89.9	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.042	19%	0.193	C	C	.	.			trans	-77.6	141.3	-172	-50.6	176.4	0	0	0	112.2	Q489 M640 E643 T647 E683	Q489-L645 HydrophobicContact CB-CD1 4.07Å; Q489-L645 VanDerWaalsContact CD-CD1 3.5Å; Q489-L645 HydrophobicContact CG-CD1 3.67Å; M640-L645 HydrophobicContact CB-CB 4.3Å; M640-L645 HydrophobicContact CB-CD1 4.06Å; M640-L645 HydrophobicContact CG-CD1 4.09Å; M640-L645 VanDerWaalsContact O-CB 3.26Å; M640-L645 WeakPolarHBondContact O-CB 3.34Å; M640-L645 WeakPolarHBondContact O-CG 3.48Å; M640-L645 PolarHBondContact O-N 2.86Å; E643-L645 HydrophobicContact CB-CG 4.43Å; L645-T647 PolarHBondContact O-N 2.93Å; L645-E683 HydrophobicContact CD2-CB 3.62Å; L645-E683 HydrophobicContact CD2-CG 3.77Å; L645-E683 WeakPolarHBondContact CD2-OE2 3.41Å
646	R	85.8	Confident	89.8	Confident	124 Å²	124	35.5 Å²	35.5	47%	0.468	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	109.1	168.9	-179.3	-179.4	-175.7	168.1	4.5	109.4	T545 I682	T545-R646 PolarHBondContact OG1-NH1 3.25Å; T545-R646 VanDerWaalsContact OG1-NH1 3.09Å; R646-I682 HydrophobicContact CB-CB 4.44Å; R646-I682 PolarHBondContact N-O 2.89Å; R646-I682 PolarHBondContact O-N 3.14Å
647	T	91.4	Very high	89	Confident	15 Å²	15	38.2 Å²	38.2	9%	0.092	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.2	-178.5	48.2	0	0	0	0	112.6	S604 I637 M640 L645 V680	S604-T647 PolarHBondContact N-O 2.99Å; S604-T647 VanDerWaalsContact OG-CB 3.28Å; S604-T647 WeakPolarHBondContact OG-CB 3.36Å; S604-T647 PolarHBondContact OG-OG1 2.89Å; I637-T647 HydrophobicContact CG2-CG2 4.25Å; M640-T647 HydrophobicContact CB-CG2 3.51Å; M640-T647 HydrophobicContact CG-CG2 4.29Å; M640-T647 HydrophobicContact SD-CG2 3.81Å; L645-T647 PolarHBondContact O-N 2.93Å; T647-V680 WeakPolarHBondContact CA-O 3.4Å
648	I	93.5	Very high	88.1	Confident	13 Å²	13	41.6 Å²	41.6	7%	0.067	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.3	173.9	-62.7	-63.1	0	0	0	108.7	T545 G602 L650 V679 V680 I682	T545-I648 HydrophobicContact CG2-CG1 4.46Å; G602-I648 WeakPolarHBondContact O-CA 3.49Å; I648-L650 HydrophobicContact CG2-CD2 4.21Å; I648-V679 CarbonylContact O-C 3.42Å; I648-V679 WeakPolarHBondContact O-CA 3.4Å; I648-V680 HydrophobicContact CB-CG2 4.02Å; I648-V680 PolarHBondContact N-O 3Å; I648-V680 PolarHBondContact O-N 3.37Å; I648-I682 HydrophobicContact CB-CD1 4.34Å; I648-I682 HydrophobicContact CG1-CD1 3.72Å
649	C	95.8	Very high	87.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.1	169.7	179.1	0	0	0	0	110	K601 G602 I607 A678 V679	K601-C649 WeakPolarHBondContact CA-O 3.4Å; G602-C649 PolarHBondContact N-O 3.49Å; G602-C649 PolarHBondContact O-N 3.11Å; I607-C649 HydrophobicContact CB-CB 3.97Å; I607-C649 HydrophobicContact CG2-CB 4Å; C649-A678 WeakPolarHBondContact CA-O 3.39Å; C649-V679 HydrophobicContact CB-CG2 4.1Å
650	L	96.6	Very high	86.8	Confident	9 Å²	9	46 Å²	46	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.8	177.9	-59.4	175	0	0	0	108.4	L514 I518 L549 K601 I648 I677 A678	L514-L650 HydrophobicContact CD2-CD1 3.87Å; I518-L650 HydrophobicContact CD1-CD1 3.7Å; I518-L650 HydrophobicContact CG1-CD1 3.77Å; I518-L650 HydrophobicContact CG1-CD2 4.46Å; L549-L650 HydrophobicContact CD1-CD2 4.4Å; L549-L650 HydrophobicContact CD2-CD1 4.49Å; K601-L650 HydrophobicContact CB-CD2 3.8Å; I648-L650 HydrophobicContact CG2-CD2 4.21Å; L650-I677 WeakPolarHBondContact O-CB 3Å; L650-I677 PolarHBondContact O-N 2.88Å; L650-A678 PolarHBondContact N-O 3.33Å; L650-A678 PolarHBondContact O-N 2.92Å
651	A	96.4	Very high	86.3	Confident	2 Å²	2	51 Å²	51	2%	0.017	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	163.2	-174.9	0	0	0	0	0	111.7	S600 I607 L674 T675	S600-A651 PolarHBondContact N-O 3.3Å; S600-A651 PolarHBondContact O-N 3.16Å; I607-A651 HydrophobicContact CG2-CB 3.75Å; A651-L674 HydrophobicContact CB-CB 4.01Å; A651-L674 HydrophobicContact CB-CD1 4.14Å; A651-T675 CarbonylContact C-O 3.39Å; A651-T675 WeakPolarHBondContact CA-O 3.39Å; A651-T675 WeakPolarHBondContact CB-O 3.47Å
652	F	95.8	Very high	86.3	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.039	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.9	173.7	77.1	-74.3	0	0	0	112.4	Y513 I598 F599 L615 D654 T675 I677	Y513-F652 HydrophobicContact CD1-CD1 4.48Å; Y513-F652 HydrophobicContact CD1-CE1 4.25Å; Y513-F652 HydrophobicContact CD1-CE2 4.33Å; Y513-F652 HydrophobicContact CD1-CZ 4.18Å; Y513-F652 HydrophobicContact CE1-CD2 4.27Å; Y513-F652 HydrophobicContact CE1-CE1 4.29Å; Y513-F652 AromaticContact CE1-CE2 3.75Å; Y513-F652 HydrophobicContact CE1-CE2 3.75Å; Y513-F652 AromaticContact CE1-CZ 3.76Å; Y513-F652 HydrophobicContact CE1-CZ 3.76Å; Y513-F652 HydrophobicContact CE2-CZ 4.27Å; Y513-F652 HydrophobicContact CG-CE1 4.43Å; Y513-F652 AromaticContact CZ-CZ 3.82Å; I598-F652 CarbonylContact O-C 3.57Å; I598-F652 WeakPolarHBondContact O-CA 3.4Å; I598-F652 WeakPolarHBondContact O-CB 3.45Å; F599-F652 HydrophobicContact CD1-CB 3.68Å; F599-F652 HydrophobicContact CE1-CB 3.89Å; L615-F652 HydrophobicContact CD1-CE1 4.31Å; L615-F652 HydrophobicContact CD2-CE1 4.25Å; L615-F652 HydrophobicContact CG-CE1 4.48Å; F652-D654 WeakPolarHBondContact CD2-OD1 3.42Å; F652-T675 HydrophobicContact CD1-CG2 4.4Å; F652-T675 HydrophobicContact CE1-CG2 3.71Å; F652-T675 HydrophobicContact CZ-CG2 4.2Å; F652-T675 PolarHBondContact N-O 2.97Å; F652-T675 PolarHBondContact O-N 3.44Å; F652-I677 HydrophobicContact CB-CD1 4.3Å; F652-I677 HydrophobicContact CD1-CD1 3.83Å; F652-I677 HydrophobicContact CD1-CG1 3.59Å; F652-I677 HydrophobicContact CE1-CG1 4.13Å; F652-I677 HydrophobicContact CG-CD1 4.48Å
653	R	94.1	Very high	86.5	Confident	64 Å²	64	53.8 Å²	53.8	24%	0.242	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143	166.7	169.4	174	174.2	-170.2	-2.9	110	R597 I598 F655 D669 I670 T672 L674	R597-R653 WeakPolarHBondContact CA-O 3.47Å; I598-R653 HydrophobicContact CG2-CB 3.74Å; I598-R653 PolarHBondContact N-O 2.89Å; I598-R653 PolarHBondContact O-N 2.7Å; R653-F655 HydrophobicContact CG-CD2 4.49Å; R653-F655 HydrophobicContact CG-CE2 3.98Å; R653-F655 HydrophobicContact CG-CZ 4.02Å; R653-D669 PolarHBondContact NH1-O 3.04Å; R653-I670 PolarHBondContact NH1-O 3.04Å; R653-T672 WeakPolarHBondContact CD-O 3.4Å; R653-T672 PolarHBondContact NH1-O 2.85Å; R653-T672 PolarHBondContact NH1-OG1 3.4Å; R653-L674 HydrophobicContact CB-CD2 3.77Å
654	D	91.4	Very high	86.4	Confident	71 Å²	71	51.9 Å²	51.9	38%	0.38	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.9	177.6	-62.5	-15.6	0	0	0	109.5	R597 F652	R597-D654 IonicContact CZ-OD1 3.72Å; R597-D654 IonicContact CZ-OD2 3.53Å; R597-D654 IonicContact NE-OD1 3.81Å; R597-D654 PolarHBondContact NE-OD1 3.29Å; R597-D654 IonicContact NE-OD2 3.69Å; R597-D654 VanDerWaalsContact NH2-CG 3.31Å; R597-D654 IonicContact NH2-OD1 3.2Å; R597-D654 PolarHBondContact NH2-OD1 3.12Å; R597-D654 IonicContact NH2-OD2 2.77Å; R597-D654 PolarHBondContact NH2-OD2 3.04Å; F652-D654 WeakPolarHBondContact CD2-OD1 3.42Å
655	F	90.7	Very high	86.5	Confident	13 Å²	13	58.1 Å²	58.1	6%	0.057	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	108.3	173.9	-59	-94.6	0	0	0	107.1	S595 Y596 I598 R653 P662 W664 I670	S595-F655 WeakPolarHBondContact CA-O 3.31Å; S595-F655 WeakPolarHBondContact CB-O 3.47Å; Y596-F655 PolarHBondContact N-O 3.45Å; Y596-F655 PolarHBondContact O-N 3.22Å; I598-F655 HydrophobicContact CB-CE2 4.37Å; I598-F655 HydrophobicContact CG2-CE2 3.8Å; R653-F655 HydrophobicContact CG-CD2 4.49Å; R653-F655 HydrophobicContact CG-CE2 3.98Å; R653-F655 HydrophobicContact CG-CZ 4.02Å; F655-P662 HydrophobicContact CD1-CG 3.63Å; F655-P662 HydrophobicContact CE1-CG 3.91Å; F655-P662 HydrophobicContact CG-CG 4.13Å; F655-W664 HydrophobicContact CD2-CH2 4.46Å; F655-I670 HydrophobicContact CZ-CG2 4.09Å
656	P	87.9	Confident	86.3	Confident	70 Å²	70	60.4 Å²	60.4	46%	0.455	33%	0.334	S	S	.	.			trans	-72.2	148.5	-168.4	29.6	-35.6	0	0	0	112.6	G658 E659	P656-G658 PolarHBondContact O-N 2.92Å; P656-E659 HydrophobicContact CG-CG 4.02Å; P656-E659 WeakPolarHBondContact CG-OE1 3.43Å; P656-E659 PolarHBondContact O-N 2.86Å
657	A	75.4	Confident	86	Confident	61 Å²	61	56 Å²	56	50%	0.504	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	108.7	174.4	0	0	0	0	0	110.5	D593	D593-A657 WeakPolarHBondContact O-CB 3.3Å
658	G	70.6	Confident	85.6	Confident	82 Å²	82	60.8 Å²	60.8	85%	0.845	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.1	-17.1	-178.8	0	0	0	0	0	114.6	P656	P656-G658 PolarHBondContact O-N 2.92Å
659	E	76.2	Confident	85.1	Confident	125 Å²	125	65 Å²	65	58%	0.584	37%	0.367	S	S	*	.	S	Bend	trans	-75.8	152.8	164.1	-75.3	177.9	-168.3	0	0	110.5	P656	P656-E659 HydrophobicContact CG-CG 4.02Å; P656-E659 WeakPolarHBondContact CG-OE1 3.43Å; P656-E659 PolarHBondContact O-N 2.86Å
660	P	77.3	Confident	84.7	Confident	118 Å²	118	65.4 Å²	65.4	77%	0.766	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-60.8	144.6	173.1	27.1	-34.8	0	0	0	110.4
661	E	78.6	Confident	84.3	Confident	105 Å²	105	65 Å²	65	49%	0.491	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-60.4	127.3	-176.4	179	150.1	-147.1	0	0	111.4	Y573 Y596 W664	Y573-E661 PolarHBondContact OH-OE1 3.35Å; Y596-E661 PolarHBondContact OH-OE1 2.91Å; E661-W664 VanDerWaalsContact CG-NE1 3.31Å; E661-W664 PolarHBondContact OE1-NE1 3.42Å
662	P	81.9	Confident	84	Confident	28 Å²	28	67.6 Å²	67.6	18%	0.182	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-56.8	144.6	178.8	-27.1	35	0	0	0	112.9	F655 W664 I670	F655-P662 HydrophobicContact CD1-CG 3.63Å; F655-P662 HydrophobicContact CE1-CG 3.91Å; F655-P662 HydrophobicContact CG-CG 4.13Å; P662-W664 VanDerWaalsContact C-N 3.3Å; P662-W664 HydrophobicContact CB-CD2 4.32Å; P662-W664 HydrophobicContact CB-CE3 4.43Å; P662-W664 HydrophobicContact CB-CH2 4.23Å; P662-W664 HydrophobicContact CB-CZ2 4.15Å; P662-W664 HydrophobicContact CB-CZ3 4.38Å; P662-W664 HydrophobicContact CG-CH2 3.97Å; P662-W664 HydrophobicContact CG-CZ2 3.9Å; P662-W664 PolarHBondContact O-N 3.39Å; P662-W664 PolarHBondContact O-NE1 2.79Å; P662-I670 HydrophobicContact CB-CD1 4.12Å; P662-I670 HydrophobicContact CB-CG1 4.18Å
663	E	85.1	Confident	83.8	Confident	145 Å²	145	68.7 Å²	68.7	68%	0.678	40%	0.396	S	S	*	.			trans	-71.3	85.6	174.7	-174	175.2	-130.7	0	0	110	D665 N666 I670	E663-D665 PolarHBondContact O-N 3.46Å; E663-N666 HydrophobicContact CG-CB 4.44Å; E663-N666 PolarHBondContact O-N 2.93Å; E663-I670 VanDerWaalsContact O-CD1 3.31Å; E663-I670 WeakPolarHBondContact O-CD1 3.36Å
664	W	83.8	Confident	83.8	Confident	21 Å²	21	65.6 Å²	65.6	8%	0.08	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-11.5	-167.3	-64.4	112.8	0	0	0	115.8	Y573 K574 Y576 V588 Y596 F655 E661 P662 I670	Y573-W664 AromaticContact CE1-CD1 3.77Å; Y573-W664 HydrophobicContact CE1-CD2 4.12Å; Y573-W664 AromaticContact CE1-CE2 3.72Å; Y573-W664 HydrophobicContact CE1-CG 4.17Å; Y573-W664 HydrophobicContact CE1-CZ2 4.27Å; Y573-W664 AromaticContact CE1-NE1 3.44Å; K574-W664 HydrophobicContact CD-CB 3.9Å; K574-W664 VanDerWaalsContact NZ-C 3.25Å; K574-W664 PolarHBondContact NZ-O 2.95Å; Y576-W664 WeakPolarHBondContact CE1-O 3.48Å; Y576-W664 PolarHBondContact OH-O 3.47Å; V588-W664 HydrophobicContact CB-CZ3 4.38Å; V588-W664 HydrophobicContact CG1-CE3 4.39Å; V588-W664 HydrophobicContact CG1-CH2 3.69Å; V588-W664 HydrophobicContact CG1-CZ2 4.4Å; V588-W664 HydrophobicContact CG1-CZ3 3.67Å; V588-W664 HydrophobicContact CG2-CE3 4.15Å; V588-W664 HydrophobicContact CG2-CZ3 3.77Å; Y596-W664 HydrophobicContact CD1-CH2 4.18Å; Y596-W664 AromaticContact CD1-CZ2 3.8Å; Y596-W664 HydrophobicContact CD1-CZ2 3.8Å; Y596-W664 HydrophobicContact CD2-CH2 4.39Å; Y596-W664 AromaticContact CD2-CZ2 3.79Å; Y596-W664 HydrophobicContact CD2-CZ2 3.79Å; Y596-W664 HydrophobicContact CE1-CZ2 4.06Å; Y596-W664 HydrophobicContact CE2-CZ2 4.04Å; Y596-W664 AromaticContact CG-CH2 3.92Å; Y596-W664 HydrophobicContact CG-CH2 3.92Å; Y596-W664 AromaticContact CG-CZ2 3.65Å; Y596-W664 HydrophobicContact CG-CZ2 3.65Å; F655-W664 HydrophobicContact CD2-CH2 4.46Å; E661-W664 VanDerWaalsContact CG-NE1 3.31Å; E661-W664 PolarHBondContact OE1-NE1 3.42Å; P662-W664 VanDerWaalsContact C-N 3.3Å; P662-W664 HydrophobicContact CB-CD2 4.32Å; P662-W664 HydrophobicContact CB-CE3 4.43Å; P662-W664 HydrophobicContact CB-CH2 4.23Å; P662-W664 HydrophobicContact CB-CZ2 4.15Å; P662-W664 HydrophobicContact CB-CZ3 4.38Å; P662-W664 HydrophobicContact CG-CH2 3.97Å; P662-W664 HydrophobicContact CG-CZ2 3.9Å; P662-W664 PolarHBondContact O-N 3.39Å; P662-W664 PolarHBondContact O-NE1 2.79Å; W664-I670 HydrophobicContact CD2-CD1 4.39Å; W664-I670 HydrophobicContact CE3-CD1 3.74Å; W664-I670 HydrophobicContact CZ3-CD1 4.29Å; W664-I670 HydrophobicContact CZ3-CG2 4.2Å
665	D	80.4	Confident	84	Confident	138 Å²	138	62.7 Å²	62.7	74%	0.738	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-22.4	173.7	-65.1	-52.2	0	0	0	113.1	K574 E663 E667	K574-D665 IonicContact NZ-OD1 3.38Å; K574-D665 PolarHBondContact NZ-OD1 2.85Å; E663-D665 PolarHBondContact O-N 3.46Å; D665-E667 VanDerWaalsContact C-N 3.29Å; D665-E667 PolarHBondContact O-N 2.93Å
666	N	84.1	Confident	84.2	Confident	55 Å²	55	62.2 Å²	62.2	29%	0.294	37%	0.368	S	S	.	.			trans	-82.7	72.6	170	-174.9	-2.8	0	0	0	111	E663 N668 D669	E663-N666 HydrophobicContact CG-CB 4.44Å; E663-N666 PolarHBondContact O-N 2.93Å; N666-N668 PolarHBondContact O-N 2.75Å; N666-N668 VanDerWaalsContact O-N 3.15Å; N666-D669 PolarHBondContact ND2-OD2 3.37Å
667	E	79.4	Confident	84.5	Confident	31 Å²	31	59.1 Å²	59.1	15%	0.145	35%	0.348	C	S	.	.	H	α-helix	trans	-56.5	-30.1	179.3	-172.4	-172.6	144.7	0	0	113	Y576 R582 D665 D669 I670 V671	Y576-E667 HydrophobicContact CD1-CB 3.85Å; Y576-E667 VanDerWaalsContact CD1-CD 3.42Å; Y576-E667 HydrophobicContact CD1-CG 3.45Å; Y576-E667 VanDerWaalsContact CD1-CG 3.45Å; Y576-E667 WeakPolarHBondContact CD1-OE2 3.46Å; Y576-E667 HydrophobicContact CD2-CG 4.3Å; Y576-E667 HydrophobicContact CE1-CB 3.67Å; Y576-E667 HydrophobicContact CE1-CG 3.67Å; Y576-E667 HydrophobicContact CE2-CG 4.47Å; Y576-E667 HydrophobicContact CG-CG 3.77Å; R582-E667 VanDerWaalsContact CD-OE1 3.3Å; R582-E667 WeakPolarHBondContact CD-OE1 3.46Å; R582-E667 VanDerWaalsContact CZ-CD 3.4Å; R582-E667 IonicContact CZ-OE1 3.38Å; R582-E667 IonicContact CZ-OE2 2.63Å; R582-E667 IonicContact NE-OE1 2.67Å; R582-E667 PolarHBondContact NE-OE1 3.46Å; R582-E667 IonicContact NH1-OE1 3.28Å; R582-E667 PolarHBondContact NH1-OE1 2.94Å; R582-E667 IonicContact NH1-OE2 2.64Å; R582-E667 PolarHBondContact NH1-OE2 3.49Å; R582-E667 IonicContact NH2-OE1 2.74Å; R582-E667 PolarHBondContact NH2-OE1 2.87Å; R582-E667 IonicContact NH2-OE2 2.78Å; R582-E667 PolarHBondContact NH2-OE2 2.82Å; R582-E667 VanDerWaalsContact NH2-OE2 3.1Å; D665-E667 VanDerWaalsContact C-N 3.29Å; D665-E667 PolarHBondContact O-N 2.93Å; E667-D669 PolarHBondContact O-N 3.49Å; E667-I670 PolarHBondContact O-N 3.2Å; E667-V671 HydrophobicContact CG-CG2 3.72Å; E667-V671 WeakPolarHBondContact O-CB 3.41Å; E667-V671 WeakPolarHBondContact O-CG2 3.37Å; E667-V671 PolarHBondContact O-N 3.18Å
668	N	82.4	Confident	85.4	Confident	116 Å²	116	56.3 Å²	56.3	62%	0.62	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-48.9	-173.7	-90.7	-35.2	0	0	0	112.1	N666 T672	N666-N668 PolarHBondContact O-N 2.75Å; N666-N668 VanDerWaalsContact O-N 3.15Å; N668-T672 WeakPolarHBondContact O-CG2 3.37Å
669	D	83.8	Confident	86.6	Confident	102 Å²	102	52.4 Å²	52.4	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-73.9	-33	-178.9	-69	-34	0	0	0	112.4	R653 N666 E667 T672	R653-D669 PolarHBondContact NH1-O 3.04Å; N666-D669 PolarHBondContact ND2-OD2 3.37Å; E667-D669 PolarHBondContact O-N 3.49Å; D669-T672 PolarHBondContact O-N 3.42Å; D669-T672 PolarHBondContact O-OG1 3.03Å
670	I	86.9	Confident	87.5	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-48	175.2	-69.9	170	0	0	0	110.8	Y576 I598 R653 F655 P662 E663 W664 E667 T672	Y576-I670 HydrophobicContact CE2-CG2 4.49Å; Y576-I670 WeakPolarHBondContact OH-CD1 3.15Å; I598-I670 HydrophobicContact CD1-CG2 3.7Å; R653-I670 PolarHBondContact NH1-O 3.04Å; F655-I670 HydrophobicContact CZ-CG2 4.09Å; P662-I670 HydrophobicContact CB-CD1 4.12Å; P662-I670 HydrophobicContact CB-CG1 4.18Å; E663-I670 VanDerWaalsContact O-CD1 3.31Å; E663-I670 WeakPolarHBondContact O-CD1 3.36Å; W664-I670 HydrophobicContact CD2-CD1 4.39Å; W664-I670 HydrophobicContact CE3-CD1 3.74Å; W664-I670 HydrophobicContact CZ3-CD1 4.29Å; W664-I670 HydrophobicContact CZ3-CG2 4.2Å; E667-I670 PolarHBondContact O-N 3.2Å; I670-T672 PolarHBondContact O-N 3.16Å
671	V	87.1	Confident	88.3	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	46.9	178	-165.7	0	0	0	0	110.5	I598 K610 E667 L674	I598-V671 HydrophobicContact CD1-CG2 4Å; K610-V671 HydrophobicContact CD-CG1 4.31Å; K610-V671 WeakPolarHBondContact CD-O 3.34Å; K610-V671 WeakPolarHBondContact CE-O 3.42Å; K610-V671 WeakPolarHBondContact CG-O 3.46Å; K610-V671 PolarHBondContact NZ-O 2.95Å; E667-V671 HydrophobicContact CG-CG2 3.72Å; E667-V671 WeakPolarHBondContact O-CB 3.41Å; E667-V671 WeakPolarHBondContact O-CG2 3.37Å; E667-V671 PolarHBondContact O-N 3.18Å; V671-L674 HydrophobicContact CG1-CD1 4.15Å
672	T	90.9	Very high	88.8	Confident	56 Å²	56	35.9 Å²	35.9	34%	0.344	20%	0.196	S	C	.	.	S	Bend	trans	-125.9	177	164.4	68.5	0	0	0	0	110.4	K610 R653 N668 D669 I670 L674	K610-T672 CarbonylContact O-C 3.6Å; R653-T672 WeakPolarHBondContact CD-O 3.4Å; R653-T672 PolarHBondContact NH1-O 2.85Å; R653-T672 PolarHBondContact NH1-OG1 3.4Å; N668-T672 WeakPolarHBondContact O-CG2 3.37Å; D669-T672 PolarHBondContact O-N 3.42Å; D669-T672 PolarHBondContact O-OG1 3.03Å; I670-T672 PolarHBondContact O-N 3.16Å; T672-L674 PolarHBondContact O-N 3.28Å; T672-L674 VanDerWaalsContact O-N 3.14Å
673	G	91	Very high	89.1	Confident	32 Å²	32	35.3 Å²	35.3	33%	0.33	19%	0.191	S	C	.	.	S	Bend	trans	66.8	17.1	172	0	0	0	0	0	114.6	K610	K610-G673 PolarHBondContact O-N 3.03Å
674	L	94.8	Very high	89	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	160.5	-167.8	-53	174.8	0	0	0	112.6	I598 I607 K610 C611 F612 K613 A651 R653 V671 T672	I598-L674 HydrophobicContact CG2-CD2 4.49Å; I607-L674 HydrophobicContact CG2-CD1 4.29Å; K610-L674 HydrophobicContact CB-CD1 4.08Å; K610-L674 PolarHBondContact O-N 2.67Å; C611-L674 CarbonylContact C-O 3.46Å; C611-L674 WeakPolarHBondContact CA-O 3.31Å; C611-L674 HydrophobicContact CB-CB 4.49Å; F612-L674 PolarHBondContact N-O 3.25Å; K613-L674 PolarHBondContact N-O 3.16Å; A651-L674 HydrophobicContact CB-CB 4.01Å; A651-L674 HydrophobicContact CB-CD1 4.14Å; R653-L674 HydrophobicContact CB-CD2 3.77Å; V671-L674 HydrophobicContact CG1-CD1 4.15Å; T672-L674 PolarHBondContact O-N 3.28Å; T672-L674 VanDerWaalsContact O-N 3.14Å
675	T	95.3	Very high	89.1	Confident	10 Å²	10	29.2 Å²	29.2	6%	0.061	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.5	169.3	-51.3	0	0	0	0	108.9	K613 L615 A621 A651 F652 I677	K613-T675 HydrophobicContact CB-CG2 3.77Å; K613-T675 WeakPolarHBondContact O-CA 3.2Å; L615-T675 HydrophobicContact CD2-CG2 3.83Å; L615-T675 HydrophobicContact CG-CG2 4.14Å; A621-T675 HydrophobicContact CB-CG2 4.16Å; A651-T675 CarbonylContact C-O 3.39Å; A651-T675 WeakPolarHBondContact CA-O 3.39Å; A651-T675 WeakPolarHBondContact CB-O 3.47Å; F652-T675 HydrophobicContact CD1-CG2 4.4Å; F652-T675 HydrophobicContact CE1-CG2 3.71Å; F652-T675 HydrophobicContact CZ-CG2 4.2Å; F652-T675 PolarHBondContact N-O 2.97Å; F652-T675 PolarHBondContact O-N 3.44Å; T675-I677 PolarHBondContact O-N 3.39Å
676	C	95.1	Very high	89.5	Confident	2 Å²	2	24 Å²	24	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	123.5	175.8	-177.3	0	0	0	0	110.3	L608 C611 K613 I614 L615 F624	L608-C676 HydrophobicContact CD1-CB 4.43Å; C611-C676 HydrophobicContact CB-CB 4.22Å; K613-C676 PolarHBondContact O-N 3.28Å; I614-C676 HydrophobicContact CB-CB 4.26Å; I614-C676 HydrophobicContact CD1-CB 4.49Å; I614-C676 HydrophobicContact CG1-CB 4.06Å; L615-C676 PolarHBondContact N-O 3.07Å; F624-C676 HydrophobicContact CE1-CB 4.28Å
677	I	94.8	Very high	89.6	Confident	6 Å²	6	23 Å²	23	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-51.5	175.7	-53.8	165.4	0	0	0	109.3	I510 L514 F599 L615 L650 F652 T675	I510-I677 HydrophobicContact CG2-CG2 4.26Å; L514-I677 HydrophobicContact CD2-CG2 3.64Å; L514-I677 HydrophobicContact CG-CG2 3.74Å; F599-I677 HydrophobicContact CD1-CD1 4.49Å; F599-I677 HydrophobicContact CE1-CD1 4.48Å; L615-I677 HydrophobicContact CD1-CB 4.35Å; L615-I677 HydrophobicContact CD1-CG1 4.3Å; L615-I677 HydrophobicContact CD1-CG2 4.09Å; L650-I677 WeakPolarHBondContact O-CB 3Å; L650-I677 PolarHBondContact O-N 2.88Å; F652-I677 HydrophobicContact CB-CD1 4.3Å; F652-I677 HydrophobicContact CD1-CD1 3.83Å; F652-I677 HydrophobicContact CD1-CG1 3.59Å; F652-I677 HydrophobicContact CE1-CG1 4.13Å; F652-I677 HydrophobicContact CG-CD1 4.48Å; T675-I677 PolarHBondContact O-N 3.39Å
678	A	94.8	Very high	90.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	159.5	-174.9	0	0	0	0	0	112.5	Y491 I492 L514 C649 L650	Y491-A678 CarbonylContact O-C 3.29Å; Y491-A678 WeakPolarHBondContact O-CA 3.46Å; Y491-A678 WeakPolarHBondContact O-CB 3.37Å; I492-A678 HydrophobicContact CG1-CB 4.04Å; L514-A678 HydrophobicContact CD2-CB 3.93Å; C649-A678 WeakPolarHBondContact CA-O 3.39Å; L650-A678 PolarHBondContact N-O 3.33Å; L650-A678 PolarHBondContact O-N 2.92Å
679	V	95.3	Very high	90.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.9	162.8	-175.9	0	0	0	0	108.5	A490 Y491 L608 I637 I648 C649	A490-V679 CarbonylContact C-O 3.57Å; Y491-V679 PolarHBondContact N-O 3.42Å; Y491-V679 PolarHBondContact O-N 3.37Å; L608-V679 HydrophobicContact CD1-CG2 4.31Å; I637-V679 HydrophobicContact CD1-CG1 4.47Å; I637-V679 HydrophobicContact CG1-CG1 4.11Å; I648-V679 CarbonylContact O-C 3.42Å; I648-V679 WeakPolarHBondContact O-CA 3.4Å; C649-V679 HydrophobicContact CB-CG2 4.1Å
680	V	95.7	Very high	90.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.6	-178.1	-64.1	0	0	0	0	111.4	V487 Q489 A490 L549 L552 T647 I648 I682	V487-V680 HydrophobicContact CG1-CB 3.94Å; V487-V680 HydrophobicContact CG1-CG1 4.15Å; V487-V680 HydrophobicContact CG2-CB 4.26Å; V487-V680 HydrophobicContact CG2-CG2 4.35Å; Q489-V680 WeakPolarHBondContact O-CA 3.39Å; A490-V680 HydrophobicContact CB-CG1 4.14Å; L549-V680 HydrophobicContact CD2-CG2 3.68Å; L552-V680 HydrophobicContact CD2-CG1 4.05Å; T647-V680 WeakPolarHBondContact CA-O 3.4Å; I648-V680 HydrophobicContact CB-CG2 4.02Å; I648-V680 PolarHBondContact N-O 3Å; I648-V680 PolarHBondContact O-N 3.37Å; V680-I682 HydrophobicContact CG2-CD1 4.43Å; V680-I682 HydrophobicContact CG2-CG1 4.25Å
681	G	93.8	Very high	91.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.5	173.6	0	0	0	0	0	110.1	V488 Q489	V488-G681 PolarHBondContact N-O 3.43Å; Q489-G681 PolarHBondContact N-O 3.06Å; Q489-G681 PolarHBondContact O-N 3.09Å
682	I	89.3	Confident	91.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.7	-177.5	-49.5	178.4	0	0	0	109.4	M485 T486 V487 T545 A548 L549 R646 I648 V680	M485-I682 HydrophobicContact CB-CG2 3.86Å; M485-I682 HydrophobicContact CE-CG2 3.8Å; T486-I682 WeakPolarHBondContact O-CA 3.49Å; T486-I682 WeakPolarHBondContact O-CG2 3.44Å; V487-I682 HydrophobicContact CG2-CG1 4.09Å; T545-I682 HydrophobicContact CG2-CD1 3.71Å; A548-I682 HydrophobicContact CB-CD1 4.4Å; A548-I682 HydrophobicContact CB-CG2 3.66Å; L549-I682 HydrophobicContact CD2-CD1 4.24Å; R646-I682 HydrophobicContact CB-CB 4.44Å; R646-I682 PolarHBondContact N-O 2.89Å; R646-I682 PolarHBondContact O-N 3.14Å; I648-I682 HydrophobicContact CB-CD1 4.34Å; I648-I682 HydrophobicContact CG1-CD1 3.72Å; V680-I682 HydrophobicContact CG2-CD1 4.43Å; V680-I682 HydrophobicContact CG2-CG1 4.25Å
683	E	86.8	Confident	91.9	Very high	17 Å²	17	22 Å²	22	8%	0.079	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	160.1	174.9	-149.7	176.6	165.8	0	0	110.8	M485 T486 V488 L645 I718 K721	M485-E683 CarbonylContact C-O 3.59Å; M485-E683 VanDerWaalsContact CA-O 3.3Å; M485-E683 WeakPolarHBondContact CA-O 3.48Å; T486-E683 PolarHBondContact N-O 3.45Å; T486-E683 PolarHBondContact O-N 2.78Å; V488-E683 HydrophobicContact CB-CB 4.48Å; V488-E683 HydrophobicContact CG2-CB 3.55Å; L645-E683 HydrophobicContact CD2-CB 3.62Å; L645-E683 HydrophobicContact CD2-CG 3.77Å; L645-E683 WeakPolarHBondContact CD2-OE2 3.41Å; E683-I718 HydrophobicContact CG-CD1 4.48Å; E683-I718 WeakPolarHBondContact OE1-CD1 3.49Å; E683-K721 IonicContact OE1-NZ 3.57Å; E683-K721 PolarHBondContact OE1-NZ 3.35Å; E683-K721 IonicContact OE2-NZ 2.77Å; E683-K721 PolarHBondContact OE2-NZ 3.41Å
684	D	83.4	Confident	92.2	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.064	12%	0.116	C	C	.	.			trans	-98.6	104.1	157.7	-174.5	17.4	0	0	0	107.1	T481 N483 R484 M485	T481-D684 VanDerWaalsContact CB-CG 3.41Å; T481-D684 WeakPolarHBondContact CB-OD2 3.34Å; T481-D684 HydrophobicContact CG2-CB 4.4Å; T481-D684 VanDerWaalsContact CG2-O 3.23Å; T481-D684 WeakPolarHBondContact CG2-O 3.43Å; T481-D684 VanDerWaalsContact OG1-CG 3.26Å; T481-D684 PolarHBondContact OG1-OD2 2.95Å; N483-D684 VanDerWaalsContact CA-OD1 3.25Å; N483-D684 WeakPolarHBondContact CA-OD1 2.91Å; N483-D684 WeakPolarHBondContact CA-OD2 3.35Å; N483-D684 PolarHBondContact N-OD1 3.31Å; R484-D684 PolarHBondContact N-OD1 3Å; M485-D684 HydrophobicContact SD-CB 3.83Å
685	P	85.3	Confident	92.2	Very high	26 Å²	26	27.5 Å²	27.5	17%	0.169	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-72.6	145.4	-164.9	28.8	-33.9	0	0	0	112.1	T481 M482 R484 T486	T481-P685 CarbonylContact C-O 3.56Å; T481-P685 WeakPolarHBondContact CA-O 3.4Å; T481-P685 WeakPolarHBondContact CB-O 3.23Å; M482-P685 HydrophobicContact CB-CG 4.29Å; M482-P685 HydrophobicContact CG-CG 4.17Å; M482-P685 PolarHBondContact N-O 3.39Å; M482-P685 HydrophobicContact SD-CG 3.94Å; R484-P685 WeakPolarHBondContact O-CD 3.27Å; T486-P685 HydrophobicContact CG2-CG 4.42Å
686	V	89.6	Confident	92.1	Very high	28 Å²	28	29.4 Å²	29.4	17%	0.17	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-62.8	138.3	171.7	178.7	0	0	0	0	109.9	V690 P691 I718 K721 C722	V686-V690 HydrophobicContact CG1-CB 4.05Å; V686-V690 HydrophobicContact CG1-CG1 4Å; V686-P691 HydrophobicContact CG1-CG 4.39Å; V686-I718 HydrophobicContact CG2-CD1 4.11Å; V686-I718 HydrophobicContact CG2-CG2 3.91Å; V686-K721 HydrophobicContact CG2-CB 4.16Å; V686-C722 VanDerWaalsContact CG1-SG 3.55Å
687	R	87	Confident	92.1	Very high	33 Å²	33	29.4 Å²	29.4	13%	0.125	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-66.7	132	175.7	-59	173.6	176.4	-116.4	8.5	110.1	G478 T479 L480 T481 M482 E689 V690 D833	G478-R687 PolarHBondContact O-NH2 2.9Å; T479-R687 PolarHBondContact O-NE 2.9Å; L480-R687 PolarHBondContact O-N 2.97Å; L480-R687 VanDerWaalsContact O-N 3.1Å; T481-R687 PolarHBondContact O-NE 3.07Å; M482-R687 HydrophobicContact CG-CG 4.09Å; R687-E689 PolarHBondContact O-N 3.45Å; R687-V690 HydrophobicContact CB-CB 4.44Å; R687-V690 HydrophobicContact CB-CG2 3.8Å; R687-V690 HydrophobicContact CG-CG2 4.47Å; R687-V690 WeakPolarHBondContact O-CB 3.37Å; R687-V690 PolarHBondContact O-N 3.25Å; R687-D833 PolarHBondContact NH1-O 3.13Å; R687-D833 PolarHBondContact NH2-O 2.89Å; R687-D833 VanDerWaalsContact NH2-O 3.13Å
688	P	89.3	Confident	92	Very high	105 Å²	105	32.1 Å²	32.1	68%	0.682	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-31	-173.2	-30	35.3	0	0	0	115.8	M482	M482-P688 HydrophobicContact CE-CG 4.3Å
689	E	89.8	Confident	92	Very high	58 Å²	58	38.1 Å²	38.1	27%	0.271	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-17.9	-177.2	66.3	-81.5	-167.8	0	0	114.5	R687 D692 A693 N834 T836	R687-E689 PolarHBondContact O-N 3.45Å; E689-D692 PolarHBondContact O-N 2.91Å; E689-A693 WeakPolarHBondContact O-CB 3.39Å; E689-A693 PolarHBondContact O-N 2.93Å; E689-N834 WeakPolarHBondContact CG-OD1 3.29Å; E689-N834 PolarHBondContact OE1-ND2 3.11Å; E689-N834 PolarHBondContact OE1-OD1 3.37Å; E689-T836 HydrophobicContact CB-CG2 3.75Å; E689-T836 HydrophobicContact CG-CG2 3.62Å
690	V	94	Very high	91.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-43.5	-177.4	159.2	0	0	0	0	113.3	L480 V686 R687 D692 A693 I694 C722 F835	L480-V690 HydrophobicContact CB-CG1 4.5Å; L480-V690 HydrophobicContact CD2-CG1 3.85Å; L480-V690 HydrophobicContact CD2-CG2 4.48Å; V686-V690 HydrophobicContact CG1-CB 4.05Å; V686-V690 HydrophobicContact CG1-CG1 4Å; R687-V690 HydrophobicContact CB-CB 4.44Å; R687-V690 HydrophobicContact CB-CG2 3.8Å; R687-V690 HydrophobicContact CG-CG2 4.47Å; R687-V690 WeakPolarHBondContact O-CB 3.37Å; R687-V690 PolarHBondContact O-N 3.25Å; V690-D692 PolarHBondContact O-N 3.15Å; V690-A693 PolarHBondContact O-N 3.45Å; V690-I694 HydrophobicContact CG1-CD1 3.51Å; V690-I694 HydrophobicContact CG1-CG1 4.29Å; V690-I694 WeakPolarHBondContact O-CB 3.41Å; V690-I694 WeakPolarHBondContact O-CG1 3.48Å; V690-I694 PolarHBondContact O-N 3.38Å; V690-C722 HydrophobicContact CG1-CB 4.32Å; V690-F835 HydrophobicContact CG2-CB 3.76Å; V690-F835 HydrophobicContact CG2-CG 4.49Å
691	P	95.1	Very high	91.8	Very high	50 Å²	50	39.6 Å²	39.6	33%	0.325	20%	0.204	S	C	.	.	H	α-helix	trans	-61.9	-38.6	179	-25.9	35.8	0	0	0	114.3	V686 K695	V686-P691 HydrophobicContact CG1-CG 4.39Å; P691-K695 VanDerWaalsContact O-CB 3.31Å; P691-K695 WeakPolarHBondContact O-CB 3.45Å; P691-K695 PolarHBondContact O-N 2.83Å
692	D	95.4	Very high	91.9	Very high	80 Å²	80	39.7 Å²	39.7	43%	0.428	21%	0.205	S	C	.	.	H	α-helix	trans	-72.2	-39.5	174.7	179.5	60.1	0	0	0	111.5	E689 V690 I694 K695 K696	E689-D692 PolarHBondContact O-N 2.91Å; V690-D692 PolarHBondContact O-N 3.15Å; D692-I694 PolarHBondContact O-N 3.27Å; D692-K695 PolarHBondContact O-N 3.49Å; D692-K696 WeakPolarHBondContact O-CB 3.48Å; D692-K696 WeakPolarHBondContact O-CG 3.23Å; D692-K696 PolarHBondContact O-N 2.87Å; D692-K696 WeakPolarHBondContact OD2-CD 3.38Å; D692-K696 WeakPolarHBondContact OD2-CE 3.38Å; D692-K696 IonicContact OD2-NZ 3.71Å; D692-K696 PolarHBondContact OD2-NZ 3.39Å
693	A	95.1	Very high	92.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-43.9	175.9	0	0	0	0	0	112.2	E689 V690 K696 C697 F835 T836 V839	E689-A693 WeakPolarHBondContact O-CB 3.39Å; E689-A693 PolarHBondContact O-N 2.93Å; V690-A693 PolarHBondContact O-N 3.45Å; A693-K696 WeakPolarHBondContact O-CB 3.48Å; A693-K696 PolarHBondContact O-N 2.85Å; A693-C697 PolarHBondContact O-N 2.66Å; A693-F835 HydrophobicContact CB-CD1 3.74Å; A693-F835 HydrophobicContact CB-CE1 4.4Å; A693-T836 HydrophobicContact CB-CG2 3.94Å; A693-V839 HydrophobicContact CB-CG2 3.79Å
694	I	95.8	Very high	92.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-42.7	175.4	-71.6	170.2	0	0	0	111	L480 V690 D692 K696 C697 Q698 V704 C722 I724 F835	L480-I694 HydrophobicContact CD2-CD1 4.17Å; V690-I694 HydrophobicContact CG1-CD1 3.51Å; V690-I694 HydrophobicContact CG1-CG1 4.29Å; V690-I694 WeakPolarHBondContact O-CB 3.41Å; V690-I694 WeakPolarHBondContact O-CG1 3.48Å; V690-I694 PolarHBondContact O-N 3.38Å; D692-I694 PolarHBondContact O-N 3.27Å; I694-K696 VanDerWaalsContact C-N 3.3Å; I694-K696 PolarHBondContact O-N 2.69Å; I694-C697 WeakPolarHBondContact O-CB 3.31Å; I694-C697 PolarHBondContact O-N 2.93Å; I694-Q698 HydrophobicContact CG2-CG 4.41Å; I694-Q698 WeakPolarHBondContact O-CG 3.41Å; I694-Q698 PolarHBondContact O-N 3.4Å; I694-V704 HydrophobicContact CG1-CG1 4.49Å; I694-V704 HydrophobicContact CG1-CG2 4.42Å; I694-V704 HydrophobicContact CG2-CG2 4.32Å; I694-C722 HydrophobicContact CD1-CB 3.76Å; I694-C722 WeakPolarHBondContact CD1-O 3.46Å; I694-I724 HydrophobicContact CD1-CD1 4.02Å; I694-I724 HydrophobicContact CD1-CG1 3.82Å; I694-I724 HydrophobicContact CG2-CG1 4.18Å; I694-F835 HydrophobicContact CG1-CD1 4.22Å; I694-F835 HydrophobicContact CG1-CE1 3.68Å; I694-F835 HydrophobicContact CG1-CZ 4.13Å
695	K	94.9	Very high	93.2	Very high	146 Å²	146	40.8 Å²	40.8	64%	0.635	21%	0.213	S	C	*	.	H	α-helix	trans	-60.7	-38.1	174.5	-172.4	176.6	-177.1	177.4	0	112.2	P691 D692 R699	P691-K695 VanDerWaalsContact O-CB 3.31Å; P691-K695 WeakPolarHBondContact O-CB 3.45Å; P691-K695 PolarHBondContact O-N 2.83Å; D692-K695 PolarHBondContact O-N 3.49Å; K695-R699 WeakPolarHBondContact O-CB 3.08Å; K695-R699 PolarHBondContact O-N 3.12Å
696	K	94.9	Very high	93.6	Very high	50 Å²	50	39.6 Å²	39.6	22%	0.217	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-43.8	172.7	-78	168	172	164.6	0	111.9	D692 A693 I694 R699 A700 V839 E909	D692-K696 WeakPolarHBondContact O-CB 3.48Å; D692-K696 WeakPolarHBondContact O-CG 3.23Å; D692-K696 PolarHBondContact O-N 2.87Å; D692-K696 WeakPolarHBondContact OD2-CD 3.38Å; D692-K696 WeakPolarHBondContact OD2-CE 3.38Å; D692-K696 IonicContact OD2-NZ 3.71Å; D692-K696 PolarHBondContact OD2-NZ 3.39Å; A693-K696 WeakPolarHBondContact O-CB 3.48Å; A693-K696 PolarHBondContact O-N 2.85Å; I694-K696 VanDerWaalsContact C-N 3.3Å; I694-K696 PolarHBondContact O-N 2.69Å; K696-R699 PolarHBondContact O-N 3.33Å; K696-A700 WeakPolarHBondContact O-CB 3.33Å; K696-A700 PolarHBondContact O-N 3.01Å; K696-V839 HydrophobicContact CB-CG1 4.16Å; K696-E909 IonicContact NZ-OE1 2.73Å
697	C	94.8	Very high	93.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-49	172.7	-78.5	0	0	0	0	112.7	A693 I694 R699 A700 G701 I702 V704	A693-C697 PolarHBondContact O-N 2.66Å; I694-C697 WeakPolarHBondContact O-CB 3.31Å; I694-C697 PolarHBondContact O-N 2.93Å; C697-R699 PolarHBondContact O-N 3.38Å; C697-A700 CarbonylContact O-C 3.58Å; C697-A700 WeakPolarHBondContact O-CA 3.22Å; C697-A700 WeakPolarHBondContact O-CB 3.46Å; C697-A700 PolarHBondContact O-N 2.98Å; C697-A700 VanDerWaalsContact O-N 3.1Å; C697-G701 PolarHBondContact O-N 2.89Å; C697-I702 CarbonylContact C-O 3.59Å; C697-I702 HydrophobicContact CB-CB 4.22Å; C697-I702 WeakPolarHBondContact O-CB 3.46Å; C697-I702 PolarHBondContact O-N 3.09Å; C697-V704 HydrophobicContact CB-CG2 3.96Å
698	Q	93.2	Very high	93.8	Very high	63 Å²	63	37.1 Å²	37.1	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-59.2	-46.2	178.5	-72.2	173.2	1.8	0	0	111.3	I694 A700 G701 G723 H726	I694-Q698 HydrophobicContact CG2-CG 4.41Å; I694-Q698 WeakPolarHBondContact O-CG 3.41Å; I694-Q698 PolarHBondContact O-N 3.4Å; Q698-A700 VanDerWaalsContact C-N 3.29Å; Q698-A700 PolarHBondContact O-N 2.9Å; Q698-G701 PolarHBondContact O-N 2.74Å; Q698-G723 PolarHBondContact NE2-O 2.97Å; Q698-H726 PolarHBondContact OE1-NE2 2.98Å
699	R	94	Very high	93.3	Very high	127 Å²	127	34.6 Å²	34.6	48%	0.479	19%	0.187	S	C	.	.	H	α-helix	trans	-59.9	-36.5	174.3	-174.7	176.9	68	174.1	1.9	112.8	K695 K696 C697 G701	K695-R699 WeakPolarHBondContact O-CB 3.08Å; K695-R699 PolarHBondContact O-N 3.12Å; K696-R699 PolarHBondContact O-N 3.33Å; C697-R699 PolarHBondContact O-N 3.38Å; R699-G701 PolarHBondContact O-N 2.63Å
700	A	93.7	Very high	92.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	2.8	175.7	0	0	0	0	0	114.1	K696 C697 Q698 I702 R846 L912 R914	K696-A700 WeakPolarHBondContact O-CB 3.33Å; K696-A700 PolarHBondContact O-N 3.01Å; C697-A700 CarbonylContact O-C 3.58Å; C697-A700 WeakPolarHBondContact O-CA 3.22Å; C697-A700 WeakPolarHBondContact O-CB 3.46Å; C697-A700 PolarHBondContact O-N 2.98Å; C697-A700 VanDerWaalsContact O-N 3.1Å; Q698-A700 VanDerWaalsContact C-N 3.29Å; Q698-A700 PolarHBondContact O-N 2.9Å; A700-I702 HydrophobicContact CB-CD1 4.49Å; A700-I702 HydrophobicContact CB-CG1 4.35Å; A700-R846 PolarHBondContact O-NH2 3.32Å; A700-L912 WeakPolarHBondContact CA-O 2.94Å; A700-L912 HydrophobicContact CB-CB 4.32Å; A700-L912 HydrophobicContact CB-CD2 4.33Å; A700-L912 WeakPolarHBondContact CB-O 3.25Å; A700-R914 VanDerWaalsContact O-O 3.13Å
701	G	92.9	Very high	91.8	Very high	30 Å²	30	37.1 Å²	37.1	31%	0.309	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	19.5	180	0	0	0	0	0	114.8	C697 Q698 R699	C697-G701 PolarHBondContact O-N 2.89Å; Q698-G701 PolarHBondContact O-N 2.74Å; R699-G701 PolarHBondContact O-N 2.63Å
702	I	95.7	Very high	91.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.194	C	C	.	.			trans	-105.8	120.6	-175.5	-48.8	-174.9	0	0	0	110	A469 I472 C697 A700 V704 V842	A469-I702 HydrophobicContact CB-CD1 4.46Å; A469-I702 WeakPolarHBondContact O-CG1 3.44Å; I472-I702 HydrophobicContact CD1-CG2 3.79Å; I472-I702 HydrophobicContact CG1-CG2 3.79Å; C697-I702 CarbonylContact C-O 3.59Å; C697-I702 HydrophobicContact CB-CB 4.22Å; C697-I702 WeakPolarHBondContact O-CB 3.46Å; C697-I702 PolarHBondContact O-N 3.09Å; A700-I702 HydrophobicContact CB-CD1 4.49Å; A700-I702 HydrophobicContact CB-CG1 4.35Å; I702-V704 PolarHBondContact O-N 2.8Å; I702-V842 HydrophobicContact CD1-CB 4.43Å; I702-V842 HydrophobicContact CD1-CG1 3.74Å; I702-V842 HydrophobicContact CD1-CG2 3.79Å
703	T	94.3	Very high	90.8	Very high	46 Å²	46	35.9 Å²	35.9	28%	0.282	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	104.7	179	-53.4	0	0	0	0	110.7	T470 A471 I472 R705	T470-T703 PolarHBondContact O-N 3.46Å; A471-T703 WeakPolarHBondContact CA-O 3.45Å; I472-T703 PolarHBondContact N-O 2.94Å; I472-T703 VanDerWaalsContact N-O 3.08Å; T703-R705 HydrophobicContact CG2-CG 4.38Å
704	V	96.3	Very high	90.2	Very high	2 Å²	2	37 Å²	37	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	136.8	170.7	-174.1	0	0	0	0	109.8	I472 I694 C697 I702 I724 F835	I472-V704 CarbonylContact O-C 3.51Å; I472-V704 WeakPolarHBondContact O-CA 3.09Å; I694-V704 HydrophobicContact CG1-CG1 4.49Å; I694-V704 HydrophobicContact CG1-CG2 4.42Å; I694-V704 HydrophobicContact CG2-CG2 4.32Å; C697-V704 HydrophobicContact CB-CG2 3.96Å; I702-V704 PolarHBondContact O-N 2.8Å; V704-I724 HydrophobicContact CG1-CD1 4.01Å; V704-I724 HydrophobicContact CG1-CG1 4.22Å; V704-F835 HydrophobicContact CG1-CZ 4.21Å; V704-F835 HydrophobicContact CG2-CZ 4.2Å
705	R	96	Very high	89.7	Confident	6 Å²	6	36.9 Å²	36.9	2%	0.023	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.5	175.6	-64.5	-179.4	170.3	79.4	-0.8	109	I472 S474 T703 W759 L762 R763	I472-R705 PolarHBondContact O-N 3.35Å; S474-R705 PolarHBondContact N-O 3.48Å; T703-R705 HydrophobicContact CG2-CG 4.38Å; R705-W759 PolarHBondContact NE-O 2.93Å; R705-W759 PolarHBondContact NH2-O 3.37Å; R705-L762 WeakPolarHBondContact CD-O 3.44Å; R705-L762 PolarHBondContact NE-O 2.77Å; R705-R763 CarbonylContact C-O 3.54Å; R705-R763 WeakPolarHBondContact CA-O 3.39Å
706	M	95.3	Very high	89.5	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.9	172.3	-175	-171.7	-69.1	0	0	109.8	S474 K476 L480 T708 A715 I718 A719 I724 R763 V764 L765	S474-M706 WeakPolarHBondContact O-CA 3.43Å; K476-M706 HydrophobicContact CB-CE 4.28Å; K476-M706 HydrophobicContact CB-CG 4.1Å; K476-M706 HydrophobicContact CB-SD 3.92Å; K476-M706 HydrophobicContact CG-CE 4.04Å; K476-M706 HydrophobicContact CG-SD 4.07Å; L480-M706 HydrophobicContact CD1-CE 4.03Å; M706-T708 HydrophobicContact CG-CG2 4.16Å; M706-T708 HydrophobicContact SD-CG2 4.05Å; M706-A715 HydrophobicContact SD-CB 3.97Å; M706-I718 HydrophobicContact CE-CB 3.96Å; M706-I718 HydrophobicContact CE-CG2 3.63Å; M706-A719 HydrophobicContact CE-CB 3.81Å; M706-A719 HydrophobicContact SD-CB 4.47Å; M706-I724 HydrophobicContact CB-CD1 4.38Å; M706-I724 HydrophobicContact CE-CD1 4.32Å; M706-R763 PolarHBondContact N-O 2.84Å; M706-V764 HydrophobicContact CB-CG2 4.41Å; M706-V764 CarbonylContact O-C 3.41Å; M706-V764 WeakPolarHBondContact O-CA 3.09Å; M706-L765 PolarHBondContact O-N 3.05Å
707	V	92.4	Very high	89.1	Confident	6 Å²	6	32.9 Å²	32.9	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	107	177.8	-173	0	0	0	0	108.2	C473 S474 D475 L765 K773 L776	C473-V707 HydrophobicContact CB-CG2 4.22Å; S474-V707 PolarHBondContact O-N 2.9Å; D475-V707 WeakPolarHBondContact CA-O 3.26Å; D475-V707 VanDerWaalsContact OD1-O 3.05Å; V707-L765 WeakPolarHBondContact CA-O 3.22Å; V707-L765 HydrophobicContact CG1-CB 4.29Å; V707-L765 HydrophobicContact CG1-CD2 4.24Å; V707-K773 HydrophobicContact CG1-CB 4.31Å; V707-K773 HydrophobicContact CG1-CD 3.99Å; V707-K773 HydrophobicContact CG1-CG 3.67Å; V707-K773 WeakPolarHBondContact O-CE 3.47Å; V707-K773 PolarHBondContact O-NZ 3.23Å; V707-L776 HydrophobicContact CG2-CD2 3.86Å
708	T	87.3	Confident	88.9	Confident	3 Å²	3	33 Å²	33	2%	0.018	18%	0.182	C	C	.	.			trans	-146.2	152.4	-167.4	-172	0	0	0	0	113.6	K476 M706 D710 A715 L765 A766 R767 S768	K476-T708 HydrophobicContact CB-CG2 4.33Å; M706-T708 HydrophobicContact CG-CG2 4.16Å; M706-T708 HydrophobicContact SD-CG2 4.05Å; T708-D710 VanDerWaalsContact C-N 3.26Å; T708-D710 HydrophobicContact CG2-CB 4Å; T708-D710 PolarHBondContact O-N 3.04Å; T708-D710 PolarHBondContact OG1-N 3Å; T708-A715 HydrophobicContact CG2-CB 3.85Å; T708-L765 PolarHBondContact N-O 2.64Å; T708-A766 CarbonylContact O-C 3.57Å; T708-A766 VanDerWaalsContact O-C 3.29Å; T708-A766 WeakPolarHBondContact O-CA 3.39Å; T708-R767 PolarHBondContact O-N 3.33Å; T708-S768 PolarHBondContact N-OG 2.7Å; T708-S768 PolarHBondContact O-N 3.34Å; T708-S768 PolarHBondContact O-OG 3.39Å
709	G	77.7	Confident	88.9	Confident	52 Å²	52	30 Å²	30	54%	0.536	17%	0.168	S	C	.	.	S	Bend	trans	-72.4	-12.5	172.5	0	0	0	0	0	114.8
710	D	75.8	Confident	88.8	Confident	52 Å²	52	27.2 Å²	27.2	28%	0.278	17%	0.165	S	C	.	.	S	Bend	trans	-63.7	163.1	178.8	-84.5	-25.1	0	0	0	113.3	K476 T708 A766 R767	K476-D710 WeakPolarHBondContact CD-OD2 3.35Å; K476-D710 WeakPolarHBondContact CE-OD2 3.26Å; K476-D710 IonicContact NZ-OD2 3.8Å; K476-D710 PolarHBondContact NZ-OD2 2.88Å; T708-D710 VanDerWaalsContact C-N 3.26Å; T708-D710 HydrophobicContact CG2-CB 4Å; T708-D710 PolarHBondContact O-N 3.04Å; T708-D710 PolarHBondContact OG1-N 3Å; D710-A766 WeakPolarHBondContact O-CB 3.35Å; D710-R767 PolarHBondContact O-N 3.48Å
711	N	78.1	Confident	88.6	Confident	59 Å²	59	31.6 Å²	31.6	32%	0.316	18%	0.184	S	C	.	.			trans	-66.5	155.6	175.5	81.1	66.6	0	0	0	112.1	N713 T714 A715	N711-N713 VanDerWaalsContact C-N 3.29Å; N711-N713 PolarHBondContact O-N 2.71Å; N711-N713 WeakPolarHBondContact OD1-CA 3.27Å; N711-N713 WeakPolarHBondContact OD1-CB 3.21Å; N711-N713 PolarHBondContact OD1-N 3.13Å; N711-T714 PolarHBondContact ND2-OG1 3.01Å; N711-T714 PolarHBondContact O-N 3.08Å; N711-T714 PolarHBondContact OD1-N 2.74Å; N711-A715 WeakPolarHBondContact O-CB 3.39Å; N711-A715 PolarHBondContact O-N 2.75Å
712	I	85.9	Confident	88.7	Confident	33 Å²	33	30.2 Å²	30.2	17%	0.169	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-26.3	-175.1	-164.3	168.3	0	0	0	115.1	R716 C733 E735 A766	I712-R716 WeakPolarHBondContact O-CB 3.3Å; I712-R716 PolarHBondContact O-N 2.8Å; I712-C733 HydrophobicContact CD1-CB 4.11Å; I712-C733 HydrophobicContact CG1-CB 4.35Å; I712-E735 HydrophobicContact CB-CG 3.86Å; I712-E735 HydrophobicContact CD1-CG 4.12Å; I712-E735 HydrophobicContact CG1-CG 4.49Å; I712-E735 HydrophobicContact CG2-CG 4.26Å; I712-A766 HydrophobicContact CB-CB 3.87Å; I712-A766 HydrophobicContact CG1-CB 4.16Å
713	N	83.4	Confident	88.6	Confident	71 Å²	71	31 Å²	31	38%	0.38	18%	0.178	S	C	.	.	H	α-helix	trans	-78.4	-46.8	179.9	-68.5	-20.2	0	0	0	111.3	N711 R716 A717	N711-N713 VanDerWaalsContact C-N 3.29Å; N711-N713 PolarHBondContact O-N 2.71Å; N711-N713 WeakPolarHBondContact OD1-CA 3.27Å; N711-N713 WeakPolarHBondContact OD1-CB 3.21Å; N711-N713 PolarHBondContact OD1-N 3.13Å; N713-R716 PolarHBondContact O-N 3.4Å; N713-R716 PolarHBondContact OD1-NH1 3.22Å; N713-A717 WeakPolarHBondContact O-CB 2.99Å; N713-A717 PolarHBondContact O-N 3.01Å
714	T	81.1	Confident	88.6	Confident	23 Å²	23	29 Å²	29	14%	0.141	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-46.8	171.9	-58.2	0	0	0	0	110.8	G644 N711 R716 A717 I718	G644-T714 WeakPolarHBondContact CA-OG1 3.48Å; G644-T714 WeakPolarHBondContact O-CG2 3.44Å; G644-T714 PolarHBondContact O-OG1 3.24Å; N711-T714 PolarHBondContact ND2-OG1 3.01Å; N711-T714 PolarHBondContact O-N 3.08Å; N711-T714 PolarHBondContact OD1-N 2.74Å; T714-R716 PolarHBondContact O-N 3.48Å; T714-A717 PolarHBondContact O-N 3.41Å; T714-I718 HydrophobicContact CG2-CG1 4.37Å; T714-I718 WeakPolarHBondContact O-CG1 3.17Å; T714-I718 PolarHBondContact O-N 2.77Å
715	A	87.2	Confident	88.5	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-42.2	177.5	0	0	0	0	0	112.2	M706 T708 N711 A719 V764 A766	M706-A715 HydrophobicContact SD-CB 3.97Å; T708-A715 HydrophobicContact CG2-CB 3.85Å; N711-A715 WeakPolarHBondContact O-CB 3.39Å; N711-A715 PolarHBondContact O-N 2.75Å; A715-A719 WeakPolarHBondContact O-CB 3.36Å; A715-A719 PolarHBondContact O-N 2.77Å; A715-V764 HydrophobicContact CB-CG1 3.6Å; A715-A766 HydrophobicContact CB-CB 4Å
716	R	89.7	Confident	88.2	Confident	95 Å²	95	31.9 Å²	31.9	36%	0.358	18%	0.179	S	C	.	.	H	α-helix	trans	-64.3	-45	174.3	-171.4	-171.9	-60	122.5	3	112.1	I712 N713 T714 A719 T720 L725	I712-R716 WeakPolarHBondContact O-CB 3.3Å; I712-R716 PolarHBondContact O-N 2.8Å; N713-R716 PolarHBondContact O-N 3.4Å; N713-R716 PolarHBondContact OD1-NH1 3.22Å; T714-R716 PolarHBondContact O-N 3.48Å; R716-A719 PolarHBondContact O-N 2.72Å; R716-T720 PolarHBondContact O-N 3.01Å; R716-T720 PolarHBondContact O-OG1 3.37Å; R716-T720 VanDerWaalsContact O-OG1 3.11Å; R716-L725 HydrophobicContact CG-CD1 3.76Å
717	A	87.4	Confident	87.7	Confident	17 Å²	17	37.5 Å²	37.5	14%	0.14	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-46.5	-179.7	0	0	0	0	0	111.9	E643 N713 T714 T720 K721	E643-A717 WeakPolarHBondContact O-CB 3.24Å; N713-A717 WeakPolarHBondContact O-CB 2.99Å; N713-A717 PolarHBondContact O-N 3.01Å; T714-A717 PolarHBondContact O-N 3.41Å; A717-T720 PolarHBondContact O-N 3.49Å; A717-K721 WeakPolarHBondContact O-CG 3.26Å; A717-K721 PolarHBondContact O-N 2.82Å
718	I	89.6	Confident	87.1	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-43.6	174.2	-60.3	-71.8	0	0	0	110.5	K476 T481 E683 V686 M706 T714 T720 K721 C722	K476-I718 HydrophobicContact CD-CG1 4.25Å; K476-I718 HydrophobicContact CD-CG2 4.44Å; K476-I718 HydrophobicContact CG-CB 4.36Å; K476-I718 HydrophobicContact CG-CG1 4.48Å; K476-I718 HydrophobicContact CG-CG2 3.82Å; T481-I718 HydrophobicContact CG2-CD1 4.35Å; T481-I718 HydrophobicContact CG2-CG2 4.39Å; E683-I718 HydrophobicContact CG-CD1 4.48Å; E683-I718 WeakPolarHBondContact OE1-CD1 3.49Å; V686-I718 HydrophobicContact CG2-CD1 4.11Å; V686-I718 HydrophobicContact CG2-CG2 3.91Å; M706-I718 HydrophobicContact CE-CB 3.96Å; M706-I718 HydrophobicContact CE-CG2 3.63Å; T714-I718 HydrophobicContact CG2-CG1 4.37Å; T714-I718 WeakPolarHBondContact O-CG1 3.17Å; T714-I718 PolarHBondContact O-N 2.77Å; I718-T720 VanDerWaalsContact C-N 3.3Å; I718-T720 PolarHBondContact O-N 3.24Å; I718-K721 PolarHBondContact O-N 2.88Å; I718-K721 VanDerWaalsContact O-N 3.14Å; I718-C722 WeakPolarHBondContact O-CB 3.48Å; I718-C722 PolarHBondContact O-N 3.26Å; I718-C722 PolarHBondContact O-SG 2.79Å
719	A	93.3	Very high	87.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-34	180	0	0	0	0	0	113	M706 A715 R716 G723 I724 L725 V764	M706-A719 HydrophobicContact CE-CB 3.81Å; M706-A719 HydrophobicContact SD-CB 4.47Å; A715-A719 WeakPolarHBondContact O-CB 3.36Å; A715-A719 PolarHBondContact O-N 2.77Å; R716-A719 PolarHBondContact O-N 2.72Å; A719-G723 PolarHBondContact O-N 3.45Å; A719-I724 HydrophobicContact CB-CB 4.14Å; A719-I724 HydrophobicContact CB-CG2 4.49Å; A719-I724 WeakPolarHBondContact O-CA 3.39Å; A719-I724 WeakPolarHBondContact O-CB 3.39Å; A719-I724 PolarHBondContact O-N 2.89Å; A719-L725 HydrophobicContact CB-CD1 3.83Å; A719-L725 HydrophobicContact CB-CG 3.78Å; A719-L725 PolarHBondContact O-N 3.21Å; A719-V764 HydrophobicContact CB-CG2 3.52Å
720	T	92	Very high	87.5	Confident	68 Å²	68	49.5 Å²	49.5	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-69.6	-45.8	170	-55.9	0	0	0	0	111.7	R716 A717 I718 C722 G723	R716-T720 PolarHBondContact O-N 3.01Å; R716-T720 PolarHBondContact O-OG1 3.37Å; R716-T720 VanDerWaalsContact O-OG1 3.11Å; A717-T720 PolarHBondContact O-N 3.49Å; I718-T720 VanDerWaalsContact C-N 3.3Å; I718-T720 PolarHBondContact O-N 3.24Å; T720-C722 PolarHBondContact O-N 3.14Å; T720-G723 PolarHBondContact O-N 2.98Å
721	K	90	Very high	88.3	Confident	94 Å²	94	50.2 Å²	50.2	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-58.5	-35.8	175.7	-72.4	173.3	-174.1	172.9	0	112.4	E683 V686 A717 I718 G723	E683-K721 IonicContact OE1-NZ 3.57Å; E683-K721 PolarHBondContact OE1-NZ 3.35Å; E683-K721 IonicContact OE2-NZ 2.77Å; E683-K721 PolarHBondContact OE2-NZ 3.41Å; V686-K721 HydrophobicContact CG2-CB 4.16Å; A717-K721 WeakPolarHBondContact O-CG 3.26Å; A717-K721 PolarHBondContact O-N 2.82Å; I718-K721 PolarHBondContact O-N 2.88Å; I718-K721 VanDerWaalsContact O-N 3.14Å; K721-G723 VanDerWaalsContact C-N 3.34Å
722	C	93.3	Very high	89	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.2	176.5	-70.3	0	0	0	0	114.7	V686 V690 I694 I718 T720 I724	V686-C722 VanDerWaalsContact CG1-SG 3.55Å; V690-C722 HydrophobicContact CG1-CB 4.32Å; I694-C722 HydrophobicContact CD1-CB 3.76Å; I694-C722 WeakPolarHBondContact CD1-O 3.46Å; I718-C722 WeakPolarHBondContact O-CB 3.48Å; I718-C722 PolarHBondContact O-N 3.26Å; I718-C722 PolarHBondContact O-SG 2.79Å; T720-C722 PolarHBondContact O-N 3.14Å; C722-I724 VanDerWaalsContact C-N 3.31Å; C722-I724 HydrophobicContact CB-CD1 4.08Å; C722-I724 HydrophobicContact CB-CG1 3.99Å; C722-I724 PolarHBondContact O-N 3.39Å
723	G	93.8	Very high	89.4	Confident	19 Å²	19	48.8 Å²	48.8	20%	0.196	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	22.8	-173.5	0	0	0	0	0	114.6	Q698 A719 T720 K721 H726	Q698-G723 PolarHBondContact NE2-O 2.97Å; A719-G723 PolarHBondContact O-N 3.45Å; T720-G723 PolarHBondContact O-N 2.98Å; K721-G723 VanDerWaalsContact C-N 3.34Å; G723-H726 PolarHBondContact O-CE1 3.49Å; G723-H726 PolarHBondContact O-NE2 3.48Å
724	I	95.6	Very high	90	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	26%	0.262	C	S	.	.	S	Bend	trans	-79.2	-30	170.6	-59.3	174	0	0	0	110.4	L480 I694 V704 M706 A719 C722 R763	L480-I724 HydrophobicContact CD1-CD1 4.02Å; I694-I724 HydrophobicContact CD1-CD1 4.02Å; I694-I724 HydrophobicContact CD1-CG1 3.82Å; I694-I724 HydrophobicContact CG2-CG1 4.18Å; V704-I724 HydrophobicContact CG1-CD1 4.01Å; V704-I724 HydrophobicContact CG1-CG1 4.22Å; M706-I724 HydrophobicContact CB-CD1 4.38Å; M706-I724 HydrophobicContact CE-CD1 4.32Å; A719-I724 HydrophobicContact CB-CB 4.14Å; A719-I724 HydrophobicContact CB-CG2 4.49Å; A719-I724 WeakPolarHBondContact O-CA 3.39Å; A719-I724 WeakPolarHBondContact O-CB 3.39Å; A719-I724 PolarHBondContact O-N 2.89Å; C722-I724 VanDerWaalsContact C-N 3.31Å; C722-I724 HydrophobicContact CB-CD1 4.08Å; C722-I724 HydrophobicContact CB-CG1 3.99Å; C722-I724 PolarHBondContact O-N 3.39Å; I724-R763 HydrophobicContact CG2-CB 4.32Å
725	L	94.6	Very high	90.5	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	27%	0.265	C	S	.	.	S	Bend	trans	-114.3	112.8	174.1	-58.4	-178.6	0	0	0	109.9	R716 A719 F731 R763 V764	R716-L725 HydrophobicContact CG-CD1 3.76Å; A719-L725 HydrophobicContact CB-CD1 3.83Å; A719-L725 HydrophobicContact CB-CG 3.78Å; A719-L725 PolarHBondContact O-N 3.21Å; L725-F731 HydrophobicContact CB-CE1 4.31Å; L725-F731 HydrophobicContact CB-CZ 4.33Å; L725-F731 HydrophobicContact CD1-CD2 4.45Å; L725-F731 HydrophobicContact CD1-CE2 4.09Å; L725-F731 HydrophobicContact CD1-CZ 4.46Å; L725-F731 HydrophobicContact CD2-CB 4.1Å; L725-F731 HydrophobicContact CD2-CD1 4.22Å; L725-F731 HydrophobicContact CD2-CD2 3.63Å; L725-F731 HydrophobicContact CD2-CE2 4.04Å; L725-F731 HydrophobicContact CD2-CG 3.73Å; L725-F731 HydrophobicContact CG-CE2 4.48Å; L725-R763 HydrophobicContact CD2-CB 3.49Å; L725-R763 VanDerWaalsContact CD2-CB 3.49Å; L725-R763 HydrophobicContact CD2-CG 4.07Å; L725-V764 HydrophobicContact CD1-CG2 4.06Å; L725-V764 HydrophobicContact CD2-CG2 4.24Å; L725-V764 HydrophobicContact CG-CG2 4.31Å
726	H	88.9	Confident	90.5	Very high	66 Å²	66	46.7 Å²	46.7	31%	0.306	27%	0.266	S	S	.	.			trans	-93.4	125.8	172.7	-61.9	-54.9	0	0	0	110	Q698 G723 G728 E729 F731	Q698-H726 PolarHBondContact OE1-NE2 2.98Å; G723-H726 PolarHBondContact O-CE1 3.49Å; G723-H726 PolarHBondContact O-NE2 3.48Å; H726-G728 PolarHBondContact O-N 2.9Å; H726-E729 HydrophobicContact CB-CG 4Å; H726-E729 IonicContact CD2-OE1 3.06Å; H726-E729 IonicContact CD2-OE2 3.8Å; H726-E729 PolarHBondContact O-N 2.99Å; H726-F731 WeakPolarHBondContact O-CE1 3.46Å
727	P	84.3	Confident	90.5	Very high	120 Å²	120	50.6 Å²	50.6	78%	0.779	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	123	179	-25.8	35.1	0	0	0	112.3
728	G	81.3	Confident	90.7	Very high	87 Å²	87	52.2 Å²	52.2	90%	0.897	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	-7.1	-178.6	0	0	0	0	0	115.4	H726	H726-G728 PolarHBondContact O-N 2.9Å
729	E	85.6	Confident	90.9	Very high	108 Å²	108	52 Å²	52	51%	0.505	29%	0.29	S	S	.	.	S	Bend	trans	-81	153.9	171.3	-71	-172.7	173.8	0	0	113.1	H726 F731	H726-E729 HydrophobicContact CB-CG 4Å; H726-E729 IonicContact CD2-OE1 3.06Å; H726-E729 IonicContact CD2-OE2 3.8Å; H726-E729 PolarHBondContact O-N 2.99Å; E729-F731 VanDerWaalsContact C-N 3.34Å; E729-F731 HydrophobicContact CB-CD1 4.16Å; E729-F731 WeakPolarHBondContact O-CD1 3.14Å; E729-F731 PolarHBondContact O-N 3.41Å
730	D	87.3	Confident	90.8	Very high	117 Å²	117	53.5 Å²	53.5	63%	0.626	30%	0.298	S	S	*	.			trans	-80.3	76.2	175.9	-176.9	3	0	0	0	110.9	K761	D730-K761 WeakPolarHBondContact OD1-CE 3.49Å; D730-K761 IonicContact OD1-NZ 3.76Å; D730-K761 PolarHBondContact OD1-NZ 2.84Å; D730-K761 VanDerWaalsContact OD2-CE 3.24Å; D730-K761 WeakPolarHBondContact OD2-CE 3.29Å; D730-K761 IonicContact OD2-NZ 3.97Å; D730-K761 PolarHBondContact OD2-NZ 3.06Å
731	F	91.6	Very high	90.8	Very high	68 Å²	68	58.9 Å²	58.9	30%	0.298	31%	0.311	S	S	.	.			trans	-109.7	154.7	179.4	62.5	-105.3	0	0	0	113.1	L725 H726 E729 R763	L725-F731 HydrophobicContact CB-CE1 4.31Å; L725-F731 HydrophobicContact CB-CZ 4.33Å; L725-F731 HydrophobicContact CD1-CD2 4.45Å; L725-F731 HydrophobicContact CD1-CE2 4.09Å; L725-F731 HydrophobicContact CD1-CZ 4.46Å; L725-F731 HydrophobicContact CD2-CB 4.1Å; L725-F731 HydrophobicContact CD2-CD1 4.22Å; L725-F731 HydrophobicContact CD2-CD2 3.63Å; L725-F731 HydrophobicContact CD2-CE2 4.04Å; L725-F731 HydrophobicContact CD2-CG 3.73Å; L725-F731 HydrophobicContact CG-CE2 4.48Å; H726-F731 WeakPolarHBondContact O-CE1 3.46Å; E729-F731 VanDerWaalsContact C-N 3.34Å; E729-F731 HydrophobicContact CB-CD1 4.16Å; E729-F731 WeakPolarHBondContact O-CD1 3.14Å; E729-F731 PolarHBondContact O-N 3.41Å; F731-R763 HydrophobicContact CB-CB 4.49Å; F731-R763 HydrophobicContact CB-CG 3.9Å
732	L	93.6	Very high	90.9	Very high	41 Å²	41	59.9 Å²	59.9	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.7	176.6	-175.9	64.9	0	0	0	111.5	L734 I758 K761 L762 R763	L732-L734 HydrophobicContact CD1-CD2 4.05Å; L732-L734 HydrophobicContact CD1-CG 4.38Å; L732-L734 HydrophobicContact CD2-CD1 4.07Å; L732-L734 HydrophobicContact CD2-CD2 4.35Å; L732-L734 HydrophobicContact CD2-CG 4.1Å; L732-L734 HydrophobicContact CG-CD2 4.24Å; L732-L734 HydrophobicContact CG-CG 4.03Å; L732-I758 HydrophobicContact CD2-CG2 3.93Å; L732-K761 HydrophobicContact CB-CB 3.96Å; L732-K761 PolarHBondContact N-O 3.02Å; L732-L762 HydrophobicContact CG-CD1 4.35Å; L732-R763 PolarHBondContact O-N 3.25Å
733	C	94.5	Very high	90.8	Very high	20 Å²	20	59.9 Å²	59.9	14%	0.135	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.3	168	-57.8	0	0	0	0	108.4	I712 V764	I712-C733 HydrophobicContact CD1-CB 4.11Å; I712-C733 HydrophobicContact CG1-CB 4.35Å; C733-V764 WeakPolarHBondContact CA-O 3.48Å; C733-V764 HydrophobicContact CB-CB 4.21Å
734	L	94.9	Very high	90.7	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	156.8	176.7	-65.8	178.5	0	0	0	111.2	L732 D738 F739 I758 L762 V764 L765 A766	L732-L734 HydrophobicContact CD1-CD2 4.05Å; L732-L734 HydrophobicContact CD1-CG 4.38Å; L732-L734 HydrophobicContact CD2-CD1 4.07Å; L732-L734 HydrophobicContact CD2-CD2 4.35Å; L732-L734 HydrophobicContact CD2-CG 4.1Å; L732-L734 HydrophobicContact CG-CD2 4.24Å; L732-L734 HydrophobicContact CG-CG 4.03Å; L734-D738 HydrophobicContact CD2-CB 4.32Å; L734-F739 HydrophobicContact CD1-CB 4.28Å; L734-F739 HydrophobicContact CD1-CD2 4.34Å; L734-I758 HydrophobicContact CD1-CG2 3.9Å; L734-L762 HydrophobicContact CB-CD1 4.16Å; L734-L762 HydrophobicContact CD1-CD1 4.09Å; L734-L762 HydrophobicContact CG-CD1 3.98Å; L734-V764 PolarHBondContact N-O 3.08Å; L734-L765 HydrophobicContact CB-CD1 4.14Å; L734-A766 PolarHBondContact O-N 3.2Å
735	E	91.6	Very high	90.3	Very high	45 Å²	45	64.8 Å²	64.8	21%	0.21	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	152.6	158.6	-65.3	-160.3	152.2	0	0	110.6	I712 K737 D738 F739 A766 R767	I712-E735 HydrophobicContact CB-CG 3.86Å; I712-E735 HydrophobicContact CD1-CG 4.12Å; I712-E735 HydrophobicContact CG1-CG 4.49Å; I712-E735 HydrophobicContact CG2-CG 4.26Å; E735-K737 PolarHBondContact O-N 3.09Å; E735-K737 VanDerWaalsContact O-N 3.13Å; E735-D738 WeakPolarHBondContact O-CA 3.27Å; E735-D738 WeakPolarHBondContact O-CB 3.31Å; E735-D738 PolarHBondContact O-N 3.4Å; E735-F739 PolarHBondContact O-N 3.29Å; E735-A766 CarbonylContact C-O 3.51Å; E735-A766 VanDerWaalsContact CA-O 3.22Å; E735-A766 WeakPolarHBondContact CA-O 3.45Å; E735-A766 HydrophobicContact CG-CB 4.49Å; E735-R767 VanDerWaalsContact CD-CD 3.5Å; E735-R767 HydrophobicContact CG-CG 4.43Å; E735-R767 WeakPolarHBondContact OE1-CD 3.45Å; E735-R767 IonicContact OE1-CZ 2.77Å; E735-R767 IonicContact OE1-NE 3.71Å; E735-R767 PolarHBondContact OE1-NE 2.92Å; E735-R767 IonicContact OE1-NH2 2.74Å; E735-R767 WeakPolarHBondContact OE2-CD 3.45Å; E735-R767 IonicContact OE2-NE 3.68Å; E735-R767 PolarHBondContact OE2-NE 3.37Å; E735-R767 VanDerWaalsContact OE2-NE 3.15Å
736	G	87.6	Confident	89.9	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-52.5	-35.6	-177.9	0	0	0	0	0	114.6	F739 N740 A766	G736-F739 PolarHBondContact O-N 3.15Å; G736-N740 PolarHBondContact O-N 2.83Å; G736-N740 PolarHBondContact O-ND2 2.85Å; G736-A766 PolarHBondContact N-O 2.98Å
737	K	88.9	Confident	89.5	Confident	177 Å²	177	79.1 Å²	79.1	77%	0.77	39%	0.391	S	S	*	.	H	α-helix	trans	-63.1	-40.8	173.8	-174.5	175.3	-179.3	176.8	0	112.7	E735 R741	E735-K737 PolarHBondContact O-N 3.09Å; E735-K737 VanDerWaalsContact O-N 3.13Å; K737-R741 WeakPolarHBondContact O-CB 3.33Å; K737-R741 PolarHBondContact O-N 3.45Å; K737-R741 VanDerWaalsContact O-N 3.07Å
738	D	93.1	Very high	89.4	Confident	50 Å²	50	74.9 Å²	74.9	27%	0.267	37%	0.369	S	S	.	.	H	α-helix	trans	-75	-33.9	177.2	-89.1	-35.4	0	0	0	112.7	L734 E735 R741 R742	L734-D738 HydrophobicContact CD2-CB 4.32Å; E735-D738 WeakPolarHBondContact O-CA 3.27Å; E735-D738 WeakPolarHBondContact O-CB 3.31Å; E735-D738 PolarHBondContact O-N 3.4Å; D738-R741 IonicContact OD1-CZ 4Å; D738-R741 IonicContact OD1-NE 3.25Å; D738-R741 PolarHBondContact OD1-NE 3.03Å; D738-R741 IonicContact OD1-NH2 2.77Å; D738-R741 PolarHBondContact OD1-NH2 3.5Å; D738-R742 WeakPolarHBondContact O-CB 3.44Å; D738-R742 WeakPolarHBondContact O-CG 3.4Å; D738-R742 PolarHBondContact O-N 2.99Å; D738-R742 VanDerWaalsContact O-N 3.1Å
739	F	94.2	Very high	89.6	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-54.3	171.2	178.4	-115.7	0	0	0	110.5	L734 E735 G736 R741 R742 I743 I758 L762 L765 D772 T775 L776	L734-F739 HydrophobicContact CD1-CB 4.28Å; L734-F739 HydrophobicContact CD1-CD2 4.34Å; E735-F739 PolarHBondContact O-N 3.29Å; G736-F739 PolarHBondContact O-N 3.15Å; F739-R741 VanDerWaalsContact C-N 3.35Å; F739-R741 PolarHBondContact O-N 3.03Å; F739-R742 PolarHBondContact O-N 3.41Å; F739-R742 VanDerWaalsContact O-N 3.09Å; F739-I743 HydrophobicContact CD1-CD1 4.07Å; F739-I743 HydrophobicContact CD2-CG2 3.94Å; F739-I743 HydrophobicContact CE1-CD1 3.72Å; F739-I743 HydrophobicContact CE2-CD1 4.46Å; F739-I743 HydrophobicContact CE2-CG2 3.69Å; F739-I743 HydrophobicContact CZ-CD1 3.93Å; F739-I743 HydrophobicContact CZ-CG2 4.13Å; F739-I743 WeakPolarHBondContact O-CG1 3.43Å; F739-I743 WeakPolarHBondContact O-CG2 3.49Å; F739-I743 PolarHBondContact O-N 3.29Å; F739-I758 HydrophobicContact CD2-CG2 4.49Å; F739-L762 HydrophobicContact CD2-CD2 4.41Å; F739-L762 HydrophobicContact CE2-CD2 4.35Å; F739-L765 HydrophobicContact CB-CD1 3.65Å; F739-L765 HydrophobicContact CD1-CD1 4.39Å; F739-L765 HydrophobicContact CD1-CD2 3.97Å; F739-L765 HydrophobicContact CE1-CD2 4.23Å; F739-L765 HydrophobicContact CG-CD1 3.99Å; F739-L765 HydrophobicContact CG-CD2 4.25Å; F739-D772 HydrophobicContact CD1-CB 4.44Å; F739-T775 HydrophobicContact CE1-CG2 4.35Å; F739-L776 HydrophobicContact CE1-CB 4.26Å; F739-L776 HydrophobicContact CE2-CD1 4.2Å; F739-L776 HydrophobicContact CZ-CB 3.93Å; F739-L776 HydrophobicContact CZ-CD1 4.06Å
740	N	90.3	Very high	89.7	Confident	32 Å²	32	74.3 Å²	74.3	17%	0.171	34%	0.344	C	S	.	.	H	α-helix	trans	-52	-49.9	174.4	-86.8	-83.5	0	0	0	112.7	G736 R742 I743 R744 D772	G736-N740 PolarHBondContact O-N 2.83Å; G736-N740 PolarHBondContact O-ND2 2.85Å; N740-R742 PolarHBondContact O-N 2.92Å; N740-I743 PolarHBondContact O-N 2.65Å; N740-R744 WeakPolarHBondContact O-CB 3.31Å; N740-R744 VanDerWaalsContact O-CG 3.26Å; N740-R744 WeakPolarHBondContact O-CG 3.34Å; N740-R744 PolarHBondContact O-N 3.48Å; N740-R744 VanDerWaalsContact O-N 3.08Å; N740-R744 PolarHBondContact OD1-NE 3.1Å; N740-R744 PolarHBondContact OD1-NH2 2.79Å; N740-D772 PolarHBondContact ND2-OD1 3.11Å
741	R	91.9	Very high	89.8	Confident	180 Å²	180	71.8 Å²	71.8	68%	0.679	33%	0.329	S	S	*	.	H	α-helix	trans	-60.4	-31	-179.2	-179.6	169.6	65.7	139.4	-4.6	113.3	K737 D738 F739	K737-R741 WeakPolarHBondContact O-CB 3.33Å; K737-R741 PolarHBondContact O-N 3.45Å; K737-R741 VanDerWaalsContact O-N 3.07Å; D738-R741 IonicContact OD1-CZ 4Å; D738-R741 IonicContact OD1-NE 3.25Å; D738-R741 PolarHBondContact OD1-NE 3.03Å; D738-R741 IonicContact OD1-NH2 2.77Å; D738-R741 PolarHBondContact OD1-NH2 3.5Å; F739-R741 VanDerWaalsContact C-N 3.35Å; F739-R741 PolarHBondContact O-N 3.03Å
742	R	91.8	Very high	89.7	Confident	116 Å²	116	71.3 Å²	71.3	44%	0.438	33%	0.328	S	S	.	.	H	α-helix	trans	-87.6	-32.2	-179.1	-68.7	173.2	-173.8	-136.2	4.9	113.5	D738 F739 N740 R754 I758	D738-R742 WeakPolarHBondContact O-CB 3.44Å; D738-R742 WeakPolarHBondContact O-CG 3.4Å; D738-R742 PolarHBondContact O-N 2.99Å; D738-R742 VanDerWaalsContact O-N 3.1Å; F739-R742 PolarHBondContact O-N 3.41Å; F739-R742 VanDerWaalsContact O-N 3.09Å; N740-R742 PolarHBondContact O-N 2.92Å; R742-R754 WeakPolarHBondContact O-CB 3.21Å; R742-R754 WeakPolarHBondContact O-CD 3.22Å; R742-I758 HydrophobicContact CB-CD1 3.55Å
743	I	91.7	Very high	89.6	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-85.1	-19.8	-179.2	70.8	-177.9	0	0	0	113.2	F739 N740 I750 E751 I755 I758 T775	F739-I743 HydrophobicContact CD1-CD1 4.07Å; F739-I743 HydrophobicContact CD2-CG2 3.94Å; F739-I743 HydrophobicContact CE1-CD1 3.72Å; F739-I743 HydrophobicContact CE2-CD1 4.46Å; F739-I743 HydrophobicContact CE2-CG2 3.69Å; F739-I743 HydrophobicContact CZ-CD1 3.93Å; F739-I743 HydrophobicContact CZ-CG2 4.13Å; F739-I743 WeakPolarHBondContact O-CG1 3.43Å; F739-I743 WeakPolarHBondContact O-CG2 3.49Å; F739-I743 PolarHBondContact O-N 3.29Å; N740-I743 PolarHBondContact O-N 2.65Å; I743-I750 HydrophobicContact CD1-CG2 4.24Å; I743-I750 HydrophobicContact CG1-CG2 4.37Å; I743-E751 PolarHBondContact O-N 3.35Å; I743-I755 HydrophobicContact CB-CG1 3.87Å; I743-I755 HydrophobicContact CG2-CB 4.47Å; I743-I755 HydrophobicContact CG2-CG1 3.7Å; I743-I758 HydrophobicContact CG2-CD1 4Å; I743-T775 HydrophobicContact CD1-CG2 3.63Å
744	R	90.5	Very high	89.4	Confident	100 Å²	100	78.1 Å²	78.1	38%	0.377	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-88.4	154.6	-179.8	-67.4	173.3	-172.1	-108.1	9.6	112.9	N740 G748 E749 I750 R754	N740-R744 WeakPolarHBondContact O-CB 3.31Å; N740-R744 VanDerWaalsContact O-CG 3.26Å; N740-R744 WeakPolarHBondContact O-CG 3.34Å; N740-R744 PolarHBondContact O-N 3.48Å; N740-R744 VanDerWaalsContact O-N 3.08Å; N740-R744 PolarHBondContact OD1-NE 3.1Å; N740-R744 PolarHBondContact OD1-NH2 2.79Å; R744-G748 WeakPolarHBondContact CD-O 3.31Å; R744-G748 WeakPolarHBondContact CG-O 3.48Å; R744-G748 PolarHBondContact NH1-O 2.9Å; R744-E749 CarbonylContact C-O 3.52Å; R744-E749 WeakPolarHBondContact CA-O 3.39Å; R744-I750 HydrophobicContact CG-CG1 4.2Å; R744-R754 PolarHBondContact O-NH1 3.01Å
745	N	88.9	Confident	89.3	Confident	25 Å²	25	78 Å²	78	13%	0.134	35%	0.352	C	S	.	.			trans	-95.7	-176.1	173.1	75.3	7.9	0	0	0	112.6	K747 G748 E749 E751	N745-K747 PolarHBondContact O-N 3.05Å; N745-K747 WeakPolarHBondContact OD1-CA 3.48Å; N745-K747 WeakPolarHBondContact OD1-CB 3.43Å; N745-K747 PolarHBondContact OD1-N 3.28Å; N745-G748 PolarHBondContact O-N 2.84Å; N745-G748 PolarHBondContact OD1-N 2.88Å; N745-G748 VanDerWaalsContact OD1-N 3.12Å; N745-E749 PolarHBondContact N-O 3.32Å; N745-E749 PolarHBondContact ND2-OE2 3.09Å; N745-E749 PolarHBondContact OD1-N 3.29Å; N745-E751 VanDerWaalsContact CB-CD 3.49Å; N745-E751 HydrophobicContact CB-CG 4.1Å; N745-E751 WeakPolarHBondContact CB-OE1 3.39Å; N745-E751 PolarHBondContact ND2-OE1 2.93Å
746	E	85.3	Confident	89.3	Confident	204 Å²	204	76.9 Å²	76.9	95%	0.953	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.2	-178.2	-63.8	178.5	176.7	0	0	113.3
747	K	81.2	Confident	89.4	Confident	166 Å²	166	83.4 Å²	83.4	72%	0.722	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.9	171.9	-54.7	178.6	-173.7	170.8	0	113.2	N745 E749	N745-K747 PolarHBondContact O-N 3.05Å; N745-K747 WeakPolarHBondContact OD1-CA 3.48Å; N745-K747 WeakPolarHBondContact OD1-CB 3.43Å; N745-K747 PolarHBondContact OD1-N 3.28Å; K747-E749 VanDerWaalsContact C-N 3.32Å; K747-E749 HydrophobicContact CB-CG 4.07Å; K747-E749 WeakPolarHBondContact CD-OE2 3.38Å
748	G	81.4	Confident	89.6	Confident	30 Å²	30	75.7 Å²	75.7	31%	0.309	34%	0.343	S	S	.	.	S	Bend	trans	82.6	1.3	-176.9	0	0	0	0	0	115.4	R744 N745	R744-G748 WeakPolarHBondContact CD-O 3.31Å; R744-G748 WeakPolarHBondContact CG-O 3.48Å; R744-G748 PolarHBondContact NH1-O 2.9Å; N745-G748 PolarHBondContact O-N 2.84Å; N745-G748 PolarHBondContact OD1-N 2.88Å; N745-G748 VanDerWaalsContact OD1-N 3.12Å
749	E	85.4	Confident	89.5	Confident	104 Å²	104	74 Å²	74	49%	0.486	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-75	152.7	177.7	-54	163.4	144.4	0	0	110.7	R744 N745 K747	R744-E749 CarbonylContact C-O 3.52Å; R744-E749 WeakPolarHBondContact CA-O 3.39Å; N745-E749 PolarHBondContact N-O 3.32Å; N745-E749 PolarHBondContact ND2-OE2 3.09Å; N745-E749 PolarHBondContact OD1-N 3.29Å; K747-E749 VanDerWaalsContact C-N 3.32Å; K747-E749 HydrophobicContact CB-CG 4.07Å; K747-E749 WeakPolarHBondContact CD-OE2 3.38Å
750	I	87.6	Confident	89.4	Confident	79 Å²	79	76.1 Å²	76.1	41%	0.405	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-90.9	119.1	-176.8	-61.8	165	0	0	0	110.1	I743 R744 I755 T775	I743-I750 HydrophobicContact CD1-CG2 4.24Å; I743-I750 HydrophobicContact CG1-CG2 4.37Å; R744-I750 HydrophobicContact CG-CG1 4.2Å; I750-I755 HydrophobicContact CG2-CD1 3.77Å; I750-I755 HydrophobicContact CG2-CG1 4.43Å; I750-T775 HydrophobicContact CD1-CG2 3.98Å; I750-T775 HydrophobicContact CG2-CG2 4.29Å
751	E	89.8	Confident	89.6	Confident	65 Å²	65	79 Å²	79	30%	0.304	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-100.5	118.4	179.1	-76.7	177.1	-173	0	0	111.4	I743 N745 E753 R754 I755	I743-E751 PolarHBondContact O-N 3.35Å; N745-E751 VanDerWaalsContact CB-CD 3.49Å; N745-E751 HydrophobicContact CB-CG 4.1Å; N745-E751 WeakPolarHBondContact CB-OE1 3.39Å; N745-E751 PolarHBondContact ND2-OE1 2.93Å; E751-E753 VanDerWaalsContact C-N 3.31Å; E751-E753 PolarHBondContact O-N 2.64Å; E751-R754 HydrophobicContact CB-CB 4.46Å; E751-R754 HydrophobicContact CB-CG 3.95Å; E751-R754 WeakPolarHBondContact O-CB 3.48Å; E751-R754 PolarHBondContact O-N 3.26Å; E751-R754 IonicContact OE1-NH2 2.65Å; E751-R754 IonicContact OE2-CZ 3.73Å; E751-R754 IonicContact OE2-NE 2.66Å; E751-R754 PolarHBondContact OE2-NE 2.86Å; E751-R754 IonicContact OE2-NH2 3.79Å; E751-R754 PolarHBondContact OE2-NH2 2.87Å; E751-I755 PolarHBondContact O-N 3.03Å
752	Q	90.3	Very high	89.7	Confident	57 Å²	57	70.5 Å²	70.5	27%	0.266	33%	0.325	S	S	.	.	H	α-helix	trans	-56.8	-41.6	-178.5	180	57	41.1	0	0	112.3	R754 I755 D756 G779	Q752-R754 PolarHBondContact O-N 3.05Å; Q752-R754 VanDerWaalsContact O-N 3.11Å; Q752-I755 WeakPolarHBondContact O-CA 3.5Å; Q752-I755 WeakPolarHBondContact O-CB 3.11Å; Q752-I755 PolarHBondContact O-N 3.45Å; Q752-D756 PolarHBondContact NE2-OD1 3.01Å; Q752-D756 PolarHBondContact NE2-OD2 3.42Å; Q752-D756 WeakPolarHBondContact O-CB 3.49Å; Q752-D756 PolarHBondContact O-N 3.05Å; Q752-G779 PolarHBondContact NE2-O 3.43Å
753	E	89.7	Confident	89.9	Confident	121 Å²	121	67.3 Å²	67.3	57%	0.565	31%	0.313	S	S	*	.	H	α-helix	trans	-59.7	-24.8	177.6	-155	-146.8	148.9	0	0	113.1	E751 K757	E751-E753 VanDerWaalsContact C-N 3.31Å; E751-E753 PolarHBondContact O-N 2.64Å; E753-K757 VanDerWaalsContact CD-NZ 3.26Å; E753-K757 WeakPolarHBondContact O-CD 3.42Å; E753-K757 WeakPolarHBondContact O-CE 3.04Å; E753-K757 WeakPolarHBondContact O-CG 3.47Å; E753-K757 WeakPolarHBondContact OE1-CE 3.49Å; E753-K757 IonicContact OE1-NZ 3.15Å; E753-K757 PolarHBondContact OE1-NZ 3.39Å; E753-K757 IonicContact OE2-NZ 2.78Å
754	R	91.4	Very high	90.1	Very high	84 Å²	84	67.3 Å²	67.3	32%	0.317	31%	0.313	S	S	.	.	H	α-helix	trans	-79.7	-38.3	172.9	-60.2	-171.6	-163.1	-145.5	-6.4	111.9	R742 R744 E751 Q752 D756 K757 I758	R742-R754 WeakPolarHBondContact O-CB 3.21Å; R742-R754 WeakPolarHBondContact O-CD 3.22Å; R744-R754 PolarHBondContact O-NH1 3.01Å; E751-R754 HydrophobicContact CB-CB 4.46Å; E751-R754 HydrophobicContact CB-CG 3.95Å; E751-R754 WeakPolarHBondContact O-CB 3.48Å; E751-R754 PolarHBondContact O-N 3.26Å; E751-R754 IonicContact OE1-NH2 2.65Å; E751-R754 IonicContact OE2-CZ 3.73Å; E751-R754 IonicContact OE2-NE 2.66Å; E751-R754 PolarHBondContact OE2-NE 2.86Å; E751-R754 IonicContact OE2-NH2 3.79Å; E751-R754 PolarHBondContact OE2-NH2 2.87Å; Q752-R754 PolarHBondContact O-N 3.05Å; Q752-R754 VanDerWaalsContact O-N 3.11Å; R754-D756 VanDerWaalsContact C-N 3.29Å; R754-D756 PolarHBondContact O-N 3.31Å; R754-K757 PolarHBondContact O-N 3.37Å; R754-I758 WeakPolarHBondContact O-CD1 3.26Å; R754-I758 VanDerWaalsContact O-CG1 3.29Å; R754-I758 WeakPolarHBondContact O-CG1 3.44Å
755	I	91.8	Very high	90.4	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-43.5	172.6	-55.8	177	0	0	0	109.8	I743 I750 E751 Q752 K757 I758 W759 T775	I743-I755 HydrophobicContact CB-CG1 3.87Å; I743-I755 HydrophobicContact CG2-CB 4.47Å; I743-I755 HydrophobicContact CG2-CG1 3.7Å; I750-I755 HydrophobicContact CG2-CD1 3.77Å; I750-I755 HydrophobicContact CG2-CG1 4.43Å; E751-I755 PolarHBondContact O-N 3.03Å; Q752-I755 WeakPolarHBondContact O-CA 3.5Å; Q752-I755 WeakPolarHBondContact O-CB 3.11Å; Q752-I755 PolarHBondContact O-N 3.45Å; I755-K757 VanDerWaalsContact C-N 3.27Å; I755-K757 PolarHBondContact O-N 3Å; I755-I758 WeakPolarHBondContact O-CA 3.17Å; I755-I758 WeakPolarHBondContact O-CB 3.39Å; I755-I758 PolarHBondContact O-N 3.09Å; I755-W759 HydrophobicContact CG2-CB 4.29Å; I755-W759 PolarHBondContact O-N 3.1Å; I755-T775 HydrophobicContact CD1-CG2 4.46Å
756	D	91.8	Very high	90.4	Very high	20 Å²	20	61.5 Å²	61.5	11%	0.107	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-32.6	-179.5	-77.4	-28.9	0	0	0	114	Q752 R754 I758 W759 P760 S783 V785	Q752-D756 PolarHBondContact NE2-OD1 3.01Å; Q752-D756 PolarHBondContact NE2-OD2 3.42Å; Q752-D756 WeakPolarHBondContact O-CB 3.49Å; Q752-D756 PolarHBondContact O-N 3.05Å; R754-D756 VanDerWaalsContact C-N 3.29Å; R754-D756 PolarHBondContact O-N 3.31Å; D756-I758 PolarHBondContact O-N 3.39Å; D756-W759 PolarHBondContact OD1-NE1 3.26Å; D756-P760 WeakPolarHBondContact O-CD 3.45Å; D756-P760 WeakPolarHBondContact O-CG 3.46Å; D756-S783 WeakPolarHBondContact OD1-CB 3.45Å; D756-S783 PolarHBondContact OD1-OG 2.98Å; D756-V785 HydrophobicContact CB-CG2 3.38Å; D756-V785 VanDerWaalsContact CG-CG2 3.49Å; D756-V785 WeakPolarHBondContact OD1-CG2 3.32Å
757	K	90.9	Very high	90.3	Very high	139 Å²	139	58.7 Å²	58.7	60%	0.604	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.2	173.7	-67.2	162.8	-168.6	172.1	0	113.7	E753 R754 I755	E753-K757 VanDerWaalsContact CD-NZ 3.26Å; E753-K757 WeakPolarHBondContact O-CD 3.42Å; E753-K757 WeakPolarHBondContact O-CE 3.04Å; E753-K757 WeakPolarHBondContact O-CG 3.47Å; E753-K757 WeakPolarHBondContact OE1-CE 3.49Å; E753-K757 IonicContact OE1-NZ 3.15Å; E753-K757 PolarHBondContact OE1-NZ 3.39Å; E753-K757 IonicContact OE2-NZ 2.78Å; R754-K757 PolarHBondContact O-N 3.37Å; I755-K757 VanDerWaalsContact C-N 3.27Å; I755-K757 PolarHBondContact O-N 3Å
758	I	91.9	Very high	90.5	Very high	15 Å²	15	51.4 Å²	51.4	8%	0.077	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-52.3	-168.6	-62.2	168.6	0	0	0	112.2	L732 L734 F739 R742 I743 R754 I755 D756 K761 L762	L732-I758 HydrophobicContact CD2-CG2 3.93Å; L734-I758 HydrophobicContact CD1-CG2 3.9Å; F739-I758 HydrophobicContact CD2-CG2 4.49Å; R742-I758 HydrophobicContact CB-CD1 3.55Å; I743-I758 HydrophobicContact CG2-CD1 4Å; R754-I758 WeakPolarHBondContact O-CD1 3.26Å; R754-I758 VanDerWaalsContact O-CG1 3.29Å; R754-I758 WeakPolarHBondContact O-CG1 3.44Å; I755-I758 WeakPolarHBondContact O-CA 3.17Å; I755-I758 WeakPolarHBondContact O-CB 3.39Å; I755-I758 PolarHBondContact O-N 3.09Å; D756-I758 PolarHBondContact O-N 3.39Å; I758-K761 PolarHBondContact O-N 3.09Å; I758-L762 HydrophobicContact CG2-CB 4.49Å; I758-L762 HydrophobicContact CG2-CD2 4.47Å; I758-L762 WeakPolarHBondContact O-CB 3.34Å; I758-L762 PolarHBondContact O-N 2.55Å
759	W	92.1	Very high	90.4	Very high	15 Å²	15	52 Å²	52	6%	0.057	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.2	-171.4	82.7	-100.7	0	0	0	115.5	R705 I755 D756 K761 L762 L776 I780 S783 V785 Q790	R705-W759 PolarHBondContact NE-O 2.93Å; R705-W759 PolarHBondContact NH2-O 3.37Å; I755-W759 HydrophobicContact CG2-CB 4.29Å; I755-W759 PolarHBondContact O-N 3.1Å; D756-W759 PolarHBondContact OD1-NE1 3.26Å; W759-K761 VanDerWaalsContact C-N 3.31Å; W759-K761 PolarHBondContact O-N 2.82Å; W759-L762 PolarHBondContact O-N 3.48Å; W759-L776 HydrophobicContact CB-CD1 4.19Å; W759-I780 HydrophobicContact CB-CG1 3.9Å; W759-I780 HydrophobicContact CD2-CB 4.5Å; W759-I780 HydrophobicContact CD2-CG1 3.85Å; W759-I780 HydrophobicContact CD2-CG2 4.37Å; W759-I780 HydrophobicContact CE3-CB 4.43Å; W759-I780 HydrophobicContact CE3-CD1 4.35Å; W759-I780 HydrophobicContact CE3-CG1 3.8Å; W759-I780 HydrophobicContact CE3-CG2 3.93Å; W759-I780 HydrophobicContact CG-CG1 3.87Å; W759-I780 HydrophobicContact CH2-CG2 4.48Å; W759-I780 HydrophobicContact CZ3-CG2 4Å; W759-S783 WeakPolarHBondContact CZ2-OG 3.45Å; W759-S783 PolarHBondContact NE1-OG 3.34Å; W759-V785 HydrophobicContact CZ2-CB 4.29Å; W759-Q790 HydrophobicContact CH2-CG 3.67Å; W759-Q790 HydrophobicContact CZ2-CG 4.19Å; W759-Q790 HydrophobicContact CZ3-CG 4.31Å
760	P	92.3	Very high	90.1	Very high	44 Å²	44	49.1 Å²	49.1	29%	0.286	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-36.9	178	-24.3	36	0	0	0	112.4	D756 R763 V785	D756-P760 WeakPolarHBondContact O-CD 3.45Å; D756-P760 WeakPolarHBondContact O-CG 3.46Å; P760-R763 PolarHBondContact O-NH1 3.49Å; P760-R763 PolarHBondContact O-NH2 2.88Å; P760-V785 HydrophobicContact CG-CG1 4.18Å
761	K	93.2	Very high	89.8	Confident	92 Å²	92	50 Å²	50	40%	0.4	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-26.5	177.8	-65.2	-169.3	172.1	-159.5	0	113.7	D730 L732 I758 W759 R763	D730-K761 WeakPolarHBondContact OD1-CE 3.49Å; D730-K761 IonicContact OD1-NZ 3.76Å; D730-K761 PolarHBondContact OD1-NZ 2.84Å; D730-K761 VanDerWaalsContact OD2-CE 3.24Å; D730-K761 WeakPolarHBondContact OD2-CE 3.29Å; D730-K761 IonicContact OD2-NZ 3.97Å; D730-K761 PolarHBondContact OD2-NZ 3.06Å; L732-K761 HydrophobicContact CB-CB 3.96Å; L732-K761 PolarHBondContact N-O 3.02Å; I758-K761 PolarHBondContact O-N 3.09Å; W759-K761 VanDerWaalsContact C-N 3.31Å; W759-K761 PolarHBondContact O-N 2.82Å; K761-R763 PolarHBondContact O-N 2.78Å
762	L	95.3	Very high	89.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	124	-179.7	-167.3	63.5	0	0	0	110.6	R705 L732 L734 F739 I758 W759 V764 L765 L776	R705-L762 WeakPolarHBondContact CD-O 3.44Å; R705-L762 PolarHBondContact NE-O 2.77Å; L732-L762 HydrophobicContact CG-CD1 4.35Å; L734-L762 HydrophobicContact CB-CD1 4.16Å; L734-L762 HydrophobicContact CD1-CD1 4.09Å; L734-L762 HydrophobicContact CG-CD1 3.98Å; F739-L762 HydrophobicContact CD2-CD2 4.41Å; F739-L762 HydrophobicContact CE2-CD2 4.35Å; I758-L762 HydrophobicContact CG2-CB 4.49Å; I758-L762 HydrophobicContact CG2-CD2 4.47Å; I758-L762 WeakPolarHBondContact O-CB 3.34Å; I758-L762 PolarHBondContact O-N 2.55Å; W759-L762 PolarHBondContact O-N 3.48Å; L762-V764 WeakPolarHBondContact CD1-O 3.32Å; L762-L765 HydrophobicContact CD2-CB 4.41Å; L762-L776 HydrophobicContact CD2-CD1 3.85Å; L762-L776 HydrophobicContact CD2-CD2 3.97Å
763	R	96.2	Very high	89.7	Confident	49 Å²	49	45.3 Å²	45.3	19%	0.185	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-29.2	175.8	-68.6	-66.1	172.4	-78.4	-7.1	112.7	R705 M706 I724 L725 F731 L732 P760 K761	R705-R763 CarbonylContact C-O 3.54Å; R705-R763 WeakPolarHBondContact CA-O 3.39Å; M706-R763 PolarHBondContact N-O 2.84Å; I724-R763 HydrophobicContact CG2-CB 4.32Å; L725-R763 HydrophobicContact CD2-CB 3.49Å; L725-R763 VanDerWaalsContact CD2-CB 3.49Å; L725-R763 HydrophobicContact CD2-CG 4.07Å; F731-R763 HydrophobicContact CB-CB 4.49Å; F731-R763 HydrophobicContact CB-CG 3.9Å; L732-R763 PolarHBondContact O-N 3.25Å; P760-R763 PolarHBondContact O-NH1 3.49Å; P760-R763 PolarHBondContact O-NH2 2.88Å; K761-R763 PolarHBondContact O-N 2.78Å
764	V	96	Very high	89.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.4	176.5	-178.2	0	0	0	0	109.5	M706 A715 A719 L725 C733 L734 L762 A766	M706-V764 HydrophobicContact CB-CG2 4.41Å; M706-V764 CarbonylContact O-C 3.41Å; M706-V764 WeakPolarHBondContact O-CA 3.09Å; A715-V764 HydrophobicContact CB-CG1 3.6Å; A719-V764 HydrophobicContact CB-CG2 3.52Å; L725-V764 HydrophobicContact CD1-CG2 4.06Å; L725-V764 HydrophobicContact CD2-CG2 4.24Å; L725-V764 HydrophobicContact CG-CG2 4.31Å; C733-V764 WeakPolarHBondContact CA-O 3.48Å; C733-V764 HydrophobicContact CB-CB 4.21Å; L734-V764 PolarHBondContact N-O 3.08Å; L762-V764 WeakPolarHBondContact CD1-O 3.32Å; V764-A766 HydrophobicContact CG1-CB 4.47Å
765	L	95.4	Very high	89.7	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	107.7	165	-176.4	59.4	0	0	0	108.1	M706 V707 T708 L734 F739 L762 D772 L776	M706-L765 PolarHBondContact O-N 3.05Å; V707-L765 WeakPolarHBondContact CA-O 3.22Å; V707-L765 HydrophobicContact CG1-CB 4.29Å; V707-L765 HydrophobicContact CG1-CD2 4.24Å; T708-L765 PolarHBondContact N-O 2.64Å; L734-L765 HydrophobicContact CB-CD1 4.14Å; F739-L765 HydrophobicContact CB-CD1 3.65Å; F739-L765 HydrophobicContact CD1-CD1 4.39Å; F739-L765 HydrophobicContact CD1-CD2 3.97Å; F739-L765 HydrophobicContact CE1-CD2 4.23Å; F739-L765 HydrophobicContact CG-CD1 3.99Å; F739-L765 HydrophobicContact CG-CD2 4.25Å; L762-L765 HydrophobicContact CD2-CB 4.41Å; L765-D772 HydrophobicContact CD2-CB 4.33Å; L765-L776 HydrophobicContact CD2-CD2 3.94Å
766	A	89.6	Confident	89.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	162.1	-177.9	0	0	0	0	0	111.2	T708 D710 I712 A715 L734 E735 G736 V764 S768	T708-A766 CarbonylContact O-C 3.57Å; T708-A766 VanDerWaalsContact O-C 3.29Å; T708-A766 WeakPolarHBondContact O-CA 3.39Å; D710-A766 WeakPolarHBondContact O-CB 3.35Å; I712-A766 HydrophobicContact CB-CB 3.87Å; I712-A766 HydrophobicContact CG1-CB 4.16Å; A715-A766 HydrophobicContact CB-CB 4Å; L734-A766 PolarHBondContact O-N 3.2Å; E735-A766 CarbonylContact C-O 3.51Å; E735-A766 VanDerWaalsContact CA-O 3.22Å; E735-A766 WeakPolarHBondContact CA-O 3.45Å; E735-A766 HydrophobicContact CG-CB 4.49Å; G736-A766 PolarHBondContact N-O 2.98Å; V764-A766 HydrophobicContact CG1-CB 4.47Å; A766-S768 PolarHBondContact O-N 2.67Å; A766-S768 VanDerWaalsContact O-N 3.1Å
767	R	82.9	Confident	89.9	Confident	146 Å²	146	38.6 Å²	38.6	55%	0.551	19%	0.19	S	C	*	.	S	Bend	trans	44.9	36.8	-171	-55.4	-169.6	-167.8	-117.5	7.8	113.2	T708 D710 E735	T708-R767 PolarHBondContact O-N 3.33Å; D710-R767 PolarHBondContact O-N 3.48Å; E735-R767 VanDerWaalsContact CD-CD 3.5Å; E735-R767 HydrophobicContact CG-CG 4.43Å; E735-R767 WeakPolarHBondContact OE1-CD 3.45Å; E735-R767 IonicContact OE1-CZ 2.77Å; E735-R767 IonicContact OE1-NE 3.71Å; E735-R767 PolarHBondContact OE1-NE 2.92Å; E735-R767 IonicContact OE1-NH2 2.74Å; E735-R767 WeakPolarHBondContact OE2-CD 3.45Å; E735-R767 IonicContact OE2-NE 3.68Å; E735-R767 PolarHBondContact OE2-NE 3.37Å; E735-R767 VanDerWaalsContact OE2-NE 3.15Å
768	S	84.8	Confident	90	Very high	12 Å²	12	36.6 Å²	36.6	8%	0.084	18%	0.182	C	C	.	.			trans	-73.3	127.2	-178.6	66.1	0	0	0	0	110.8	T708 A766	T708-S768 PolarHBondContact N-OG 2.7Å; T708-S768 PolarHBondContact O-N 3.34Å; T708-S768 PolarHBondContact O-OG 3.39Å; A766-S768 PolarHBondContact O-N 2.67Å; A766-S768 VanDerWaalsContact O-N 3.1Å
769	S	80.3	Confident	90.1	Very high	42 Å²	42	36 Å²	36	29%	0.294	18%	0.179	S	C	.	.			trans	-75.5	163.9	163.9	66.4	0	0	0	0	111.5	T771 D772 K773	S769-T771 PolarHBondContact O-N 2.89Å; S769-T771 PolarHBondContact OG-OG1 3.41Å; S769-T771 VanDerWaalsContact OG-OG1 3.1Å; S769-D772 WeakPolarHBondContact CB-OD2 3.37Å; S769-D772 PolarHBondContact N-OD2 2.9Å; S769-D772 WeakPolarHBondContact O-CB 3.39Å; S769-D772 PolarHBondContact O-N 3.15Å; S769-D772 PolarHBondContact OG-N 2.94Å; S769-D772 PolarHBondContact OG-OD1 2.9Å; S769-D772 PolarHBondContact OG-OD2 2.96Å; S769-K773 PolarHBondContact O-N 3.41Å; S769-K773 VanDerWaalsContact O-N 3.12Å
770	P	79.1	Confident	90.1	Very high	45 Å²	45	35.3 Å²	35.3	29%	0.292	18%	0.176	S	C	.	.	H	α-helix	trans	-52.4	-41	174.6	-29.9	37.7	0	0	0	113.5	K773 H774 N800	P770-K773 WeakPolarHBondContact O-CB 3.46Å; P770-K773 PolarHBondContact O-N 3.08Å; P770-H774 PolarHBondContact O-N 3.29Å; P770-N800 WeakPolarHBondContact CB-O 3.49Å; P770-N800 HydrophobicContact CG-CB 3.88Å; P770-N800 WeakPolarHBondContact CG-OD1 3.41Å
771	T	82.3	Confident	90.1	Very high	96 Å²	96	33.6 Å²	33.6	59%	0.589	17%	0.165	S	C	*	.	H	α-helix	trans	-70.1	-30.6	178.6	46.4	0	0	0	0	112.2	S769 T775	S769-T771 PolarHBondContact O-N 2.89Å; S769-T771 PolarHBondContact OG-OG1 3.41Å; S769-T771 VanDerWaalsContact OG-OG1 3.1Å; T771-T775 VanDerWaalsContact O-CB 3.22Å; T771-T775 WeakPolarHBondContact O-CB 3.45Å; T771-T775 PolarHBondContact O-N 3.3Å; T771-T775 PolarHBondContact O-OG1 3.22Å
772	D	88.8	Confident	89.9	Confident	7 Å²	7	32.6 Å²	32.6	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-41.8	171.3	-59.2	-36.4	0	0	0	111.5	F739 N740 L765 S769 T775 L776	F739-D772 HydrophobicContact CD1-CB 4.44Å; N740-D772 PolarHBondContact ND2-OD1 3.11Å; L765-D772 HydrophobicContact CD2-CB 4.33Å; S769-D772 WeakPolarHBondContact CB-OD2 3.37Å; S769-D772 PolarHBondContact N-OD2 2.9Å; S769-D772 WeakPolarHBondContact O-CB 3.39Å; S769-D772 PolarHBondContact O-N 3.15Å; S769-D772 PolarHBondContact OG-N 2.94Å; S769-D772 PolarHBondContact OG-OD1 2.9Å; S769-D772 PolarHBondContact OG-OD2 2.96Å; D772-T775 PolarHBondContact O-N 3.48Å; D772-L776 WeakPolarHBondContact O-CB 3.33Å; D772-L776 PolarHBondContact O-N 3.42Å
773	K	89.1	Confident	89.6	Confident	18 Å²	18	32.8 Å²	32.8	8%	0.078	17%	0.165	C	C	.	.	H	α-helix	trans	-59.4	-52.4	175.4	-56.2	-151.2	176.8	-175.8	0	110.6	D475 V707 S769 P770 T775 L776 V777 D801 A804	D475-K773 IonicContact OD1-NZ 2.63Å; D475-K773 PolarHBondContact OD1-NZ 3.46Å; V707-K773 HydrophobicContact CG1-CB 4.31Å; V707-K773 HydrophobicContact CG1-CD 3.99Å; V707-K773 HydrophobicContact CG1-CG 3.67Å; V707-K773 WeakPolarHBondContact O-CE 3.47Å; V707-K773 PolarHBondContact O-NZ 3.23Å; S769-K773 PolarHBondContact O-N 3.41Å; S769-K773 VanDerWaalsContact O-N 3.12Å; P770-K773 WeakPolarHBondContact O-CB 3.46Å; P770-K773 PolarHBondContact O-N 3.08Å; K773-T775 PolarHBondContact O-N 3.24Å; K773-L776 PolarHBondContact O-N 3.03Å; K773-V777 VanDerWaalsContact O-CG2 3.29Å; K773-V777 WeakPolarHBondContact O-CG2 3.42Å; K773-V777 PolarHBondContact O-N 3.39Å; K773-D801 WeakPolarHBondContact CD-OD1 3.08Å; K773-D801 WeakPolarHBondContact CE-OD1 3.39Å; K773-D801 IonicContact NZ-OD1 3.94Å; K773-D801 PolarHBondContact NZ-OD1 3.38Å; K773-A804 HydrophobicContact CB-CB 3.81Å
774	H	89.6	Confident	88.9	Confident	59 Å²	59	36.1 Å²	36.1	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-58.5	-45.6	177.2	178.3	97.6	0	0	0	112	P770 L776 V777 K778 P803	P770-H774 PolarHBondContact O-N 3.29Å; H774-L776 PolarHBondContact O-N 3.34Å; H774-V777 PolarHBondContact O-N 3.24Å; H774-K778 WeakPolarHBondContact O-CB 3.26Å; H774-K778 PolarHBondContact O-N 3.02Å; H774-P803 PolarHBondContact ND1-O 2.9Å
775	T	91.3	Very high	88.5	Confident	23 Å²	23	39.8 Å²	39.8	14%	0.141	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-41.5	-178.8	-59.9	0	0	0	0	112	F739 I743 I750 I755 T771 D772 K773 G779	F739-T775 HydrophobicContact CE1-CG2 4.35Å; I743-T775 HydrophobicContact CD1-CG2 3.63Å; I750-T775 HydrophobicContact CD1-CG2 3.98Å; I750-T775 HydrophobicContact CG2-CG2 4.29Å; I755-T775 HydrophobicContact CD1-CG2 4.46Å; T771-T775 VanDerWaalsContact O-CB 3.22Å; T771-T775 WeakPolarHBondContact O-CB 3.45Å; T771-T775 PolarHBondContact O-N 3.3Å; T771-T775 PolarHBondContact O-OG1 3.22Å; D772-T775 PolarHBondContact O-N 3.48Å; K773-T775 PolarHBondContact O-N 3.24Å; T775-G779 PolarHBondContact O-N 3.46Å
776	L	94.2	Very high	87.8	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-44.7	174.9	178.9	61	0	0	0	111.7	V707 F739 W759 L762 L765 D772 K773 H774 G779 I780	V707-L776 HydrophobicContact CG2-CD2 3.86Å; F739-L776 HydrophobicContact CE1-CB 4.26Å; F739-L776 HydrophobicContact CE2-CD1 4.2Å; F739-L776 HydrophobicContact CZ-CB 3.93Å; F739-L776 HydrophobicContact CZ-CD1 4.06Å; W759-L776 HydrophobicContact CB-CD1 4.19Å; L762-L776 HydrophobicContact CD2-CD1 3.85Å; L762-L776 HydrophobicContact CD2-CD2 3.97Å; L765-L776 HydrophobicContact CD2-CD2 3.94Å; D772-L776 WeakPolarHBondContact O-CB 3.33Å; D772-L776 PolarHBondContact O-N 3.42Å; K773-L776 PolarHBondContact O-N 3.03Å; H774-L776 PolarHBondContact O-N 3.34Å; L776-G779 PolarHBondContact O-N 2.97Å; L776-I780 HydrophobicContact CD1-CD1 3.83Å; L776-I780 HydrophobicContact CD1-CG1 4.14Å; L776-I780 HydrophobicContact CG-CD1 3.94Å; L776-I780 VanDerWaalsContact O-CG1 3.26Å; L776-I780 WeakPolarHBondContact O-CG1 3.24Å; L776-I780 PolarHBondContact O-N 3.37Å
777	V	93.9	Very high	87.1	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-49	179	170.1	0	0	0	0	110.8	C473 K773 H774 G779 I780 I781 V792 V794 K807	C473-V777 HydrophobicContact CB-CG2 4.39Å; K773-V777 VanDerWaalsContact O-CG2 3.29Å; K773-V777 WeakPolarHBondContact O-CG2 3.42Å; K773-V777 PolarHBondContact O-N 3.39Å; H774-V777 PolarHBondContact O-N 3.24Å; V777-G779 PolarHBondContact O-N 3.26Å; V777-I780 PolarHBondContact O-N 3.01Å; V777-I781 HydrophobicContact CG1-CD1 3.94Å; V777-I781 WeakPolarHBondContact O-CB 3.29Å; V777-I781 WeakPolarHBondContact O-CG1 3.48Å; V777-I781 PolarHBondContact O-N 3.26Å; V777-V792 HydrophobicContact CG1-CG1 4.2Å; V777-V792 HydrophobicContact CG2-CG1 4.49Å; V777-V794 HydrophobicContact CB-CG2 4.37Å; V777-V794 HydrophobicContact CG1-CG2 3.93Å; V777-V794 HydrophobicContact CG2-CG2 3.46Å; V777-V794 VanDerWaalsContact CG2-CG2 3.46Å; V777-K807 HydrophobicContact CG1-CG 4.42Å
778	K	92.4	Very high	86.9	Confident	98 Å²	98	46.8 Å²	46.8	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-56.4	-50.4	173.5	179.6	-179.4	175.5	-170.5	0	111.3	H774 I780 I781 D782 K807	H774-K778 WeakPolarHBondContact O-CB 3.26Å; H774-K778 PolarHBondContact O-N 3.02Å; K778-I780 VanDerWaalsContact C-N 3.3Å; K778-I780 PolarHBondContact O-N 3.34Å; K778-I781 CarbonylContact O-C 3.48Å; K778-I781 WeakPolarHBondContact O-CA 3.43Å; K778-I781 WeakPolarHBondContact O-CB 3.36Å; K778-I781 PolarHBondContact O-N 2.86Å; K778-D782 WeakPolarHBondContact CE-OD2 3.48Å; K778-D782 WeakPolarHBondContact CG-OD2 3.48Å; K778-D782 WeakPolarHBondContact O-CB 3.37Å; K778-D782 PolarHBondContact O-N 2.98Å; K778-K807 HydrophobicContact CB-CG 4.35Å
779	G	92.5	Very high	86.9	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-24.1	-176.3	0	0	0	0	0	115	Q752 T775 L776 V777 S783	Q752-G779 PolarHBondContact NE2-O 3.43Å; T775-G779 PolarHBondContact O-N 3.46Å; L776-G779 PolarHBondContact O-N 2.97Å; V777-G779 PolarHBondContact O-N 3.26Å; G779-S783 WeakPolarHBondContact O-CB 3.38Å; G779-S783 PolarHBondContact O-N 3.44Å
780	I	94	Very high	87.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-78.1	-38.2	168.8	-62.4	164.7	0	0	0	110.5	W759 L776 V777 K778 S783 Q790 V792	W759-I780 HydrophobicContact CB-CG1 3.9Å; W759-I780 HydrophobicContact CD2-CB 4.5Å; W759-I780 HydrophobicContact CD2-CG1 3.85Å; W759-I780 HydrophobicContact CD2-CG2 4.37Å; W759-I780 HydrophobicContact CE3-CB 4.43Å; W759-I780 HydrophobicContact CE3-CD1 4.35Å; W759-I780 HydrophobicContact CE3-CG1 3.8Å; W759-I780 HydrophobicContact CE3-CG2 3.93Å; W759-I780 HydrophobicContact CG-CG1 3.87Å; W759-I780 HydrophobicContact CH2-CG2 4.48Å; W759-I780 HydrophobicContact CZ3-CG2 4Å; L776-I780 HydrophobicContact CD1-CD1 3.83Å; L776-I780 HydrophobicContact CD1-CG1 4.14Å; L776-I780 HydrophobicContact CG-CD1 3.94Å; L776-I780 VanDerWaalsContact O-CG1 3.26Å; L776-I780 WeakPolarHBondContact O-CG1 3.24Å; L776-I780 PolarHBondContact O-N 3.37Å; V777-I780 PolarHBondContact O-N 3.01Å; K778-I780 VanDerWaalsContact C-N 3.3Å; K778-I780 PolarHBondContact O-N 3.34Å; I780-S783 WeakPolarHBondContact O-CB 3.41Å; I780-S783 PolarHBondContact O-N 3.19Å; I780-Q790 HydrophobicContact CG2-CB 3.82Å; I780-Q790 HydrophobicContact CG2-CG 4.01Å; I780-V792 HydrophobicContact CB-CG2 3.92Å; I780-V792 HydrophobicContact CG2-CG2 3.43Å; I780-V792 VanDerWaalsContact CG2-CG2 3.43Å
781	I	90.4	Very high	88	Confident	9 Å²	9	47.5 Å²	47.5	5%	0.046	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-36.6	178.7	-83.6	175.7	0	0	0	113	V777 K778 R789 V792 K807	V777-I781 HydrophobicContact CG1-CD1 3.94Å; V777-I781 WeakPolarHBondContact O-CB 3.29Å; V777-I781 WeakPolarHBondContact O-CG1 3.48Å; V777-I781 PolarHBondContact O-N 3.26Å; K778-I781 CarbonylContact O-C 3.48Å; K778-I781 WeakPolarHBondContact O-CA 3.43Å; K778-I781 WeakPolarHBondContact O-CB 3.36Å; K778-I781 PolarHBondContact O-N 2.86Å; I781-R789 WeakPolarHBondContact O-CD 3.35Å; I781-R789 WeakPolarHBondContact O-CG 3.32Å; I781-R789 PolarHBondContact O-NE 2.8Å; I781-V792 HydrophobicContact CD1-CB 4.19Å; I781-V792 HydrophobicContact CD1-CG2 4.44Å; I781-V792 HydrophobicContact CG1-CB 3.95Å; I781-V792 HydrophobicContact CG1-CG2 3.67Å; I781-K807 WeakPolarHBondContact CD1-O 3.29Å
782	D	89.2	Confident	88.6	Confident	71 Å²	71	42.9 Å²	42.9	38%	0.38	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.3	-178.8	-62.2	-23.4	0	0	0	112.2	K778	K778-D782 WeakPolarHBondContact CE-OD2 3.48Å; K778-D782 WeakPolarHBondContact CG-OD2 3.48Å; K778-D782 WeakPolarHBondContact O-CB 3.37Å; K778-D782 PolarHBondContact O-N 2.98Å
783	S	89	Confident	88.9	Confident	5 Å²	5	42.6 Å²	42.6	4%	0.035	22%	0.222	C	C	.	.			trans	-73.9	138.3	-176.4	-176.2	0	0	0	0	114.4	D756 W759 G779 I780 V785	D756-S783 WeakPolarHBondContact OD1-CB 3.45Å; D756-S783 PolarHBondContact OD1-OG 2.98Å; W759-S783 WeakPolarHBondContact CZ2-OG 3.45Å; W759-S783 PolarHBondContact NE1-OG 3.34Å; G779-S783 WeakPolarHBondContact O-CB 3.38Å; G779-S783 PolarHBondContact O-N 3.44Å; I780-S783 WeakPolarHBondContact O-CB 3.41Å; I780-S783 PolarHBondContact O-N 3.19Å; S783-V785 WeakPolarHBondContact OG-CG2 3.28Å; S783-V785 PolarHBondContact OG-N 3.29Å
784	T	83.1	Confident	89.2	Confident	119 Å²	119	42 Å²	42	73%	0.73	22%	0.22	S	C	*	.			trans	-107.5	6	175.9	56.2	0	0	0	0	114.2	S786	T784-S786 PolarHBondContact O-N 3.27Å
785	V	86.4	Confident	89.4	Confident	78 Å²	78	39.2 Å²	39.2	47%	0.473	21%	0.207	S	C	.	.	S	Bend	trans	-58.1	-19.2	-179.4	175.2	0	0	0	0	113.5	D756 W759 P760 S783	D756-V785 HydrophobicContact CB-CG2 3.38Å; D756-V785 VanDerWaalsContact CG-CG2 3.49Å; D756-V785 WeakPolarHBondContact OD1-CG2 3.32Å; W759-V785 HydrophobicContact CZ2-CB 4.29Å; P760-V785 HydrophobicContact CG-CG1 4.18Å; S783-V785 WeakPolarHBondContact OG-CG2 3.28Å; S783-V785 PolarHBondContact OG-N 3.29Å
786	S	80.8	Confident	89.1	Confident	38 Å²	38	38.1 Å²	38.1	27%	0.266	20%	0.2	S	C	.	.	S	Bend	trans	-132.4	140.6	174.2	57.9	0	0	0	0	110.1	T784 Q788 Q790	T784-S786 PolarHBondContact O-N 3.27Å; S786-Q788 CarbonylContact O-C 3.16Å; S786-Q788 PolarHBondContact O-N 3.5Å; S786-Q788 PolarHBondContact OG-O 3.11Å; S786-Q790 PolarHBondContact OG-NE2 2.72Å
787	D	75.3	Confident	88.5	Confident	167 Å²	167	39.2 Å²	39.2	89%	0.893	21%	0.206	S	C	*	.	S	Bend	trans	-51.9	-8.7	178.4	-35.7	-15.5	0	0	0	115.4
788	Q	77.8	Confident	87.5	Confident	90 Å²	90	39.7 Å²	39.7	42%	0.421	21%	0.211	S	C	.	.	S	Bend	trans	-123.3	120.3	177.6	-66	172.6	32.5	0	0	109	S786 Q790	S786-Q788 CarbonylContact O-C 3.16Å; S786-Q788 PolarHBondContact O-N 3.5Å; S786-Q788 PolarHBondContact OG-O 3.11Å; Q788-Q790 PolarHBondContact O-N 3.32Å; Q788-Q790 PolarHBondContact O-NE2 3.36Å
789	R	85.8	Confident	86.4	Confident	84 Å²	84	35.4 Å²	35.4	32%	0.317	19%	0.194	S	C	.	.			trans	-51	129.6	169.6	173.8	172.1	175.1	-99.3	-35.3	110	I781 D809 R919	I781-R789 WeakPolarHBondContact O-CD 3.35Å; I781-R789 WeakPolarHBondContact O-CG 3.32Å; I781-R789 PolarHBondContact O-NE 2.8Å; R789-D809 IonicContact CZ-OD1 3.13Å; R789-D809 IonicContact CZ-OD2 3.12Å; R789-D809 IonicContact NH1-OD1 2.71Å; R789-D809 PolarHBondContact NH1-OD1 3.41Å; R789-D809 IonicContact NH2-OD1 2.72Å; R789-D809 PolarHBondContact NH2-OD1 3.43Å; R789-D809 IonicContact NH2-OD2 2.65Å; R789-D809 PolarHBondContact NH2-OD2 3.16Å; R789-R919 VanDerWaalsContact NH1-NH1 3.14Å
790	Q	89.7	Confident	85.5	Confident	28 Å²	28	39.4 Å²	39.4	13%	0.131	22%	0.215	C	C	.	.			trans	-66.5	149.6	177.8	-60.1	-62.4	-51.2	0	0	111.2	T470 W759 I780 S786 Q788 V792	T470-Q790 PolarHBondContact OG1-OE1 3.43Å; W759-Q790 HydrophobicContact CH2-CG 3.67Å; W759-Q790 HydrophobicContact CZ2-CG 4.19Å; W759-Q790 HydrophobicContact CZ3-CG 4.31Å; I780-Q790 HydrophobicContact CG2-CB 3.82Å; I780-Q790 HydrophobicContact CG2-CG 4.01Å; S786-Q790 PolarHBondContact OG-NE2 2.72Å; Q788-Q790 PolarHBondContact O-N 3.32Å; Q788-Q790 PolarHBondContact O-NE2 3.36Å; Q790-V792 HydrophobicContact CB-CG2 4.38Å
791	V	91.9	Very high	84.9	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.006	22%	0.216	C	C	.	.			trans	-112.8	110.8	173	178.5	0	0	0	0	107.1	T465 N468 T470 A471 D809 R919	T465-V791 HydrophobicContact CG2-CG1 3.94Å; N468-V791 HydrophobicContact CB-CG2 4.17Å; N468-V791 WeakPolarHBondContact O-CB 3.49Å; T470-V791 PolarHBondContact N-O 2.97Å; T470-V791 PolarHBondContact OG1-N 2.93Å; T470-V791 PolarHBondContact OG1-O 2.87Å; A471-V791 PolarHBondContact N-O 3.22Å; V791-D809 WeakPolarHBondContact CA-OD2 3.42Å; V791-D809 HydrophobicContact CG1-CB 3.77Å; V791-R919 HydrophobicContact CG2-CG 3.94Å
792	V	94.8	Very high	84.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.1	-169.7	-175	0	0	0	0	110	A471 V777 I780 I781 Q790 V794 D809 V810	A471-V792 HydrophobicContact CB-CG2 4.42Å; V777-V792 HydrophobicContact CG1-CG1 4.2Å; V777-V792 HydrophobicContact CG2-CG1 4.49Å; I780-V792 HydrophobicContact CB-CG2 3.92Å; I780-V792 HydrophobicContact CG2-CG2 3.43Å; I780-V792 VanDerWaalsContact CG2-CG2 3.43Å; I781-V792 HydrophobicContact CD1-CB 4.19Å; I781-V792 HydrophobicContact CD1-CG2 4.44Å; I781-V792 HydrophobicContact CG1-CB 3.95Å; I781-V792 HydrophobicContact CG1-CG2 3.67Å; Q790-V792 HydrophobicContact CB-CG2 4.38Å; V792-V794 HydrophobicContact CG1-CG2 4.32Å; V792-D809 PolarHBondContact N-OD2 3.16Å; V792-D809 PolarHBondContact O-N 3.36Å; V792-V810 PolarHBondContact O-N 3.49Å
793	A	96.2	Very high	84.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	145.6	165.1	0	0	0	0	0	110.5	M466 A471 I472 C473 V810 F812	M466-A793 HydrophobicContact CE-CB 3.78Å; M466-A793 HydrophobicContact SD-CB 3.74Å; A471-A793 PolarHBondContact O-N 3.1Å; I472-A793 CarbonylContact C-O 3.57Å; I472-A793 WeakPolarHBondContact CA-O 3.28Å; I472-A793 HydrophobicContact CG1-CB 4.2Å; C473-A793 PolarHBondContact N-O 3.31Å; A793-V810 CarbonylContact C-O 3.44Å; A793-V810 WeakPolarHBondContact CA-O 3.46Å; A793-V810 HydrophobicContact CB-CB 4.35Å; A793-F812 HydrophobicContact CB-CD2 4.38Å; A793-F812 HydrophobicContact CB-CE2 4.09Å
794	V	95.6	Very high	84	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.6	178.1	177.5	0	0	0	0	109.4	C473 V777 V792 A804 L805 A808 V810 F812	C473-V794 HydrophobicContact CB-CG2 4.31Å; C473-V794 CarbonylContact O-C 3.49Å; C473-V794 VanDerWaalsContact O-CA 3.32Å; C473-V794 WeakPolarHBondContact O-CA 3.46Å; V777-V794 HydrophobicContact CB-CG2 4.37Å; V777-V794 HydrophobicContact CG1-CG2 3.93Å; V777-V794 HydrophobicContact CG2-CG2 3.46Å; V777-V794 VanDerWaalsContact CG2-CG2 3.46Å; V792-V794 HydrophobicContact CG1-CG2 4.32Å; V794-A804 HydrophobicContact CG1-CB 4.25Å; V794-L805 HydrophobicContact CB-CD2 4.24Å; V794-L805 HydrophobicContact CG1-CD2 3.97Å; V794-L805 HydrophobicContact CG1-CG 4.34Å; V794-A808 HydrophobicContact CB-CB 3.98Å; V794-A808 HydrophobicContact CG2-CB 3.6Å; V794-V810 PolarHBondContact N-O 3.29Å; V794-F812 PolarHBondContact O-N 2.6Å
795	T	93.4	Very high	84.2	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	147.4	167.1	86.2	0	0	0	0	110.8	I472 C473 S474 D475 T479 F812 I838	I472-T795 HydrophobicContact CG2-CG2 4.3Å; C473-T795 PolarHBondContact O-N 3.05Å; S474-T795 WeakPolarHBondContact CA-OG1 3.32Å; S474-T795 PolarHBondContact OG-OG1 2.93Å; D475-T795 PolarHBondContact N-OG1 3.29Å; T479-T795 HydrophobicContact CG2-CG2 4.14Å; T479-T795 WeakPolarHBondContact CG2-OG1 3.34Å; T479-T795 PolarHBondContact OG1-OG1 3.14Å; T479-T795 VanDerWaalsContact OG1-OG1 3.05Å; T795-F812 WeakPolarHBondContact CA-O 3.41Å; T795-F812 HydrophobicContact CG2-CB 4.26Å; T795-I838 HydrophobicContact CG2-CD1 3.54Å
796	G	85.1	Confident	84.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	162.3	175.9	0	0	0	0	0	113.2	D801 F812 M814	G796-D801 WeakPolarHBondContact CA-OD2 3.46Å; G796-F812 PolarHBondContact N-O 3.24Å; G796-M814 PolarHBondContact O-N 3.07Å
797	D	80.3	Confident	84.6	Confident	24 Å²	24	37.1 Å²	37.1	13%	0.128	19%	0.189	C	C	.	.			trans	-132.6	-29.2	173.9	72.2	-12.4	0	0	0	113.1	D801 M814 G818 T819	D797-D801 PolarHBondContact N-OD2 3.26Å; D797-M814 HydrophobicContact CB-CB 4.11Å; D797-M814 HydrophobicContact CB-CG 3.81Å; D797-G818 WeakPolarHBondContact O-CA 3.42Å; D797-T819 WeakPolarHBondContact O-CB 3.37Å; D797-T819 WeakPolarHBondContact O-CG2 3.5Å; D797-T819 PolarHBondContact O-N 3.36Å; D797-T819 PolarHBondContact O-OG1 2.92Å
798	G	72.8	Confident	85.4	Confident	12 Å²	12	30.1 Å²	30.1	12%	0.124	15%	0.154	C	C	.	.	S	Bend	trans	-89.9	161.9	178.2	0	0	0	0	0	114.6	N800 D801	G798-N800 PolarHBondContact O-N 3.23Å; G798-D801 PolarHBondContact N-OD2 3.1Å; G798-D801 WeakPolarHBondContact O-CB 3.21Å; G798-D801 PolarHBondContact O-N 3.47Å
799	T	69.7	Low	86.1	Confident	9 Å²	9	26.9 Å²	26.9	6%	0.055	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-58.5	-31.1	173.1	74.9	0	0	0	0	111.7	Y220 D801 G802 T819 V821	Y220-T799 HydrophobicContact CD2-CG2 4.35Å; Y220-T799 HydrophobicContact CE2-CG2 3.59Å; Y220-T799 VanDerWaalsContact CE2-OG1 3.28Å; Y220-T799 WeakPolarHBondContact CE2-OG1 3.49Å; Y220-T799 PolarHBondContact OH-N 2.97Å; Y220-T799 PolarHBondContact OH-OG1 3.48Å; T799-D801 PolarHBondContact O-N 3.28Å; T799-D801 VanDerWaalsContact O-N 3.09Å; T799-G802 PolarHBondContact O-N 2.91Å; T799-T819 HydrophobicContact CG2-CG2 4.24Å; T799-T819 PolarHBondContact N-OG1 3.05Å; T799-V821 HydrophobicContact CG2-CB 3.84Å; T799-V821 HydrophobicContact CG2-CG1 4.34Å; T799-V821 HydrophobicContact CG2-CG2 3.63Å
800	N	74.8	Confident	86.6	Confident	86 Å²	86	23 Å²	23	46%	0.46	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-51.4	-24	170.9	-72.8	-44.7	0	0	0	114.6	P770 G798	P770-N800 WeakPolarHBondContact CB-O 3.49Å; P770-N800 HydrophobicContact CG-CB 3.88Å; P770-N800 WeakPolarHBondContact CG-OD1 3.41Å; G798-N800 PolarHBondContact O-N 3.23Å
801	D	80.9	Confident	86.8	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.021	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-89.9	-17.2	179.5	-60.4	-45.4	0	0	0	112.8	K773 G796 D797 G798 T799 A804 L805	K773-D801 WeakPolarHBondContact CD-OD1 3.08Å; K773-D801 WeakPolarHBondContact CE-OD1 3.39Å; K773-D801 IonicContact NZ-OD1 3.94Å; K773-D801 PolarHBondContact NZ-OD1 3.38Å; G796-D801 WeakPolarHBondContact CA-OD2 3.46Å; D797-D801 PolarHBondContact N-OD2 3.26Å; G798-D801 PolarHBondContact N-OD2 3.1Å; G798-D801 WeakPolarHBondContact O-CB 3.21Å; G798-D801 PolarHBondContact O-N 3.47Å; T799-D801 PolarHBondContact O-N 3.28Å; T799-D801 VanDerWaalsContact O-N 3.09Å; D801-A804 CarbonylContact O-C 3.26Å; D801-A804 WeakPolarHBondContact O-CA 3.16Å; D801-A804 WeakPolarHBondContact O-CB 3.17Å; D801-A804 PolarHBondContact O-N 2.71Å; D801-L805 HydrophobicContact CB-CD1 3.88Å; D801-L805 HydrophobicContact CB-CG 4.17Å; D801-L805 WeakPolarHBondContact O-CG 3.24Å; D801-L805 PolarHBondContact O-N 2.83Å
802	G	79.9	Confident	86.9	Confident	8 Å²	8	21.6 Å²	21.6	8%	0.082	12%	0.118	C	C	.	.	H	α-helix	trans	-49.2	-51.3	-175.8	0	0	0	0	0	114.4	T799 A804 L805 K806	T799-G802 PolarHBondContact O-N 2.91Å; G802-A804 PolarHBondContact O-N 3.28Å; G802-L805 PolarHBondContact O-N 3.48Å; G802-K806 WeakPolarHBondContact O-CB 3.49Å; G802-K806 PolarHBondContact O-N 2.98Å
803	P	81.9	Confident	86.7	Confident	70 Å²	70	21.6 Å²	21.6	46%	0.455	12%	0.118	S	C	.	.	H	α-helix	trans	-64.7	-22.8	177.5	-24.3	35.3	0	0	0	114.6	H774 K807	H774-P803 PolarHBondContact ND1-O 2.9Å; P803-K807 WeakPolarHBondContact O-CB 3.24Å
804	A	86.8	Confident	86.3	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-87.8	-42.2	176.3	0	0	0	0	0	111.4	K773 V794 D801 G802 K807 A808	K773-A804 HydrophobicContact CB-CB 3.81Å; V794-A804 HydrophobicContact CG1-CB 4.25Å; D801-A804 CarbonylContact O-C 3.26Å; D801-A804 WeakPolarHBondContact O-CA 3.16Å; D801-A804 WeakPolarHBondContact O-CB 3.17Å; D801-A804 PolarHBondContact O-N 2.71Å; G802-A804 PolarHBondContact O-N 3.28Å; A804-K807 PolarHBondContact O-N 3.38Å; A804-A808 PolarHBondContact O-N 3.2Å; A804-A808 VanDerWaalsContact O-N 3.15Å
805	L	88.3	Confident	85.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.9	-50.9	172.2	-72.3	167.7	0	0	0	110.6	V794 D801 G802 K807 A808 F812 A822 A825	V794-L805 HydrophobicContact CB-CD2 4.24Å; V794-L805 HydrophobicContact CG1-CD2 3.97Å; V794-L805 HydrophobicContact CG1-CG 4.34Å; D801-L805 HydrophobicContact CB-CD1 3.88Å; D801-L805 HydrophobicContact CB-CG 4.17Å; D801-L805 WeakPolarHBondContact O-CG 3.24Å; D801-L805 PolarHBondContact O-N 2.83Å; G802-L805 PolarHBondContact O-N 3.48Å; L805-K807 PolarHBondContact O-N 2.98Å; L805-A808 VanDerWaalsContact O-CB 3.29Å; L805-A808 WeakPolarHBondContact O-CB 3.43Å; L805-A808 PolarHBondContact O-N 3.03Å; L805-F812 VanDerWaalsContact CD2-O 3.31Å; L805-F812 WeakPolarHBondContact CD2-O 3.39Å; L805-A822 HydrophobicContact CD1-CB 3.99Å; L805-A825 HydrophobicContact CB-CB 4.09Å; L805-A825 HydrophobicContact CD1-CB 4.4Å
806	K	85.9	Confident	84.7	Confident	123 Å²	123	28 Å²	28	54%	0.535	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.3	-177.6	-155.8	59.7	174.1	177.9	0	114.6	G802 A825	G802-K806 WeakPolarHBondContact O-CB 3.49Å; G802-K806 PolarHBondContact O-N 2.98Å; K806-A825 WeakPolarHBondContact CD-O 3.42Å
807	K	89.3	Confident	84	Confident	66 Å²	66	30 Å²	30	29%	0.287	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-10.5	175.4	-178.5	54.4	-176	166.4	0	113	V777 K778 I781 P803 A804 L805	V777-K807 HydrophobicContact CG1-CG 4.42Å; K778-K807 HydrophobicContact CB-CG 4.35Å; I781-K807 WeakPolarHBondContact CD1-O 3.29Å; P803-K807 WeakPolarHBondContact O-CB 3.24Å; A804-K807 PolarHBondContact O-N 3.38Å; L805-K807 PolarHBondContact O-N 2.98Å
808	A	93.1	Very high	83.8	Confident	19 Å²	19	29.1 Å²	29.1	16%	0.157	17%	0.168	C	C	.	.	S	Bend	trans	-65.8	167	175.8	0	0	0	0	0	112.2	V794 A804 L805 V810	V794-A808 HydrophobicContact CB-CB 3.98Å; V794-A808 HydrophobicContact CG2-CB 3.6Å; A804-A808 PolarHBondContact O-N 3.2Å; A804-A808 VanDerWaalsContact O-N 3.15Å; L805-A808 VanDerWaalsContact O-CB 3.29Å; L805-A808 WeakPolarHBondContact O-CB 3.43Å; L805-A808 PolarHBondContact O-N 3.03Å; A808-V810 VanDerWaalsContact C-N 3.32Å; A808-V810 WeakPolarHBondContact CB-O 3.23Å
809	D	92.8	Very high	83.9	Confident	23 Å²	23	29.7 Å²	29.7	12%	0.123	17%	0.169	C	C	.	.	S	Bend	trans	-78	-22	160.4	-66.1	-88.7	0	0	0	111.4	T465 R789 V791 V792 R919	T465-D809 HydrophobicContact CG2-CB 3.86Å; R789-D809 IonicContact CZ-OD1 3.13Å; R789-D809 IonicContact CZ-OD2 3.12Å; R789-D809 IonicContact NH1-OD1 2.71Å; R789-D809 PolarHBondContact NH1-OD1 3.41Å; R789-D809 IonicContact NH2-OD1 2.72Å; R789-D809 PolarHBondContact NH2-OD1 3.43Å; R789-D809 IonicContact NH2-OD2 2.65Å; R789-D809 PolarHBondContact NH2-OD2 3.16Å; V791-D809 WeakPolarHBondContact CA-OD2 3.42Å; V791-D809 HydrophobicContact CG1-CB 3.77Å; V792-D809 PolarHBondContact N-OD2 3.16Å; V792-D809 PolarHBondContact O-N 3.36Å; D809-R919 IonicContact OD1-CZ 2.77Å; D809-R919 IonicContact OD1-NH1 2.79Å; D809-R919 PolarHBondContact OD1-NH1 2.86Å
810	V	94.6	Very high	84.3	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	117.7	170	-179.7	0	0	0	0	110.3	A462 T465 M466 V792 A793 V794 A808 F812 D827 I828	A462-V810 HydrophobicContact CB-CG1 4.21Å; A462-V810 HydrophobicContact CB-CG2 4.17Å; T465-V810 HydrophobicContact CG2-CG2 3.97Å; M466-V810 HydrophobicContact CB-CG2 4.16Å; M466-V810 HydrophobicContact SD-CB 4.22Å; M466-V810 HydrophobicContact SD-CG1 4.24Å; M466-V810 HydrophobicContact SD-CG2 4.23Å; V792-V810 PolarHBondContact O-N 3.49Å; A793-V810 CarbonylContact C-O 3.44Å; A793-V810 WeakPolarHBondContact CA-O 3.46Å; A793-V810 HydrophobicContact CB-CB 4.35Å; V794-V810 PolarHBondContact N-O 3.29Å; A808-V810 VanDerWaalsContact C-N 3.32Å; A808-V810 WeakPolarHBondContact CB-O 3.23Å; V810-F812 HydrophobicContact CB-CE2 4.4Å; V810-F812 HydrophobicContact CG1-CD2 4.01Å; V810-F812 HydrophobicContact CG1-CE2 3.54Å; V810-F812 HydrophobicContact CG1-CZ 4.04Å; V810-D827 WeakPolarHBondContact CA-OD2 3.36Å; V810-I828 HydrophobicContact CG1-CD1 4.06Å; V810-I828 HydrophobicContact CG1-CG1 4.38Å
811	G	94.8	Very high	84.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132	169.8	0	0	0	0	0	112.8	S826 D827 I828	G811-S826 WeakPolarHBondContact O-CB 3.29Å; G811-D827 PolarHBondContact N-OD2 3.02Å; G811-D827 PolarHBondContact O-N 3.33Å; G811-I828 PolarHBondContact O-N 3.47Å; G811-I828 VanDerWaalsContact O-N 3.09Å
812	F	94.9	Very high	84.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.5	172.2	-73	-91.3	0	0	0	111.7	M466 A793 V794 T795 G796 L805 V810 I828 L830 I838 A841	M466-F812 HydrophobicContact CE-CE2 3.64Å; M466-F812 HydrophobicContact CE-CZ 3.88Å; M466-F812 HydrophobicContact CG-CE2 4.42Å; M466-F812 HydrophobicContact CG-CZ 4.07Å; M466-F812 HydrophobicContact SD-CE2 3.59Å; M466-F812 VanDerWaalsContact SD-CE2 3.59Å; M466-F812 HydrophobicContact SD-CZ 3.84Å; A793-F812 HydrophobicContact CB-CD2 4.38Å; A793-F812 HydrophobicContact CB-CE2 4.09Å; V794-F812 PolarHBondContact O-N 2.6Å; T795-F812 WeakPolarHBondContact CA-O 3.41Å; T795-F812 HydrophobicContact CG2-CB 4.26Å; G796-F812 PolarHBondContact N-O 3.24Å; L805-F812 VanDerWaalsContact CD2-O 3.31Å; L805-F812 WeakPolarHBondContact CD2-O 3.39Å; V810-F812 HydrophobicContact CB-CE2 4.4Å; V810-F812 HydrophobicContact CG1-CD2 4.01Å; V810-F812 HydrophobicContact CG1-CE2 3.54Å; V810-F812 HydrophobicContact CG1-CZ 4.04Å; F812-I828 VanDerWaalsContact CA-O 3.3Å; F812-I828 WeakPolarHBondContact CA-O 3.45Å; F812-I828 HydrophobicContact CD1-CB 3.89Å; F812-I828 HydrophobicContact CD1-CG2 4.03Å; F812-I828 HydrophobicContact CE1-CB 3.89Å; F812-I828 HydrophobicContact CE1-CD1 3.9Å; F812-I828 HydrophobicContact CE1-CG1 4.43Å; F812-I828 HydrophobicContact CE1-CG2 3.87Å; F812-I828 HydrophobicContact CZ-CD1 3.97Å; F812-L830 HydrophobicContact CD1-CD1 4.42Å; F812-L830 HydrophobicContact CD1-CD2 3.72Å; F812-L830 HydrophobicContact CD1-CG 4.11Å; F812-L830 HydrophobicContact CE1-CD2 4.07Å; F812-I838 HydrophobicContact CD1-CG1 4.12Å; F812-I838 HydrophobicContact CE1-CG1 4.16Å; F812-I838 HydrophobicContact CE1-CG2 4.35Å; F812-I838 HydrophobicContact CE2-CG2 4.07Å; F812-I838 HydrophobicContact CG-CG1 4.44Å; F812-I838 HydrophobicContact CZ-CG2 3.93Å; F812-A841 HydrophobicContact CE1-CB 4.07Å; F812-A841 HydrophobicContact CZ-CB 3.99Å
813	A	90.3	Very high	84.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	148.6	169.2	0	0	0	0	0	112.3	A822 K823 S826 I828 I829 L830	A813-A822 HydrophobicContact CB-CB 4.44Å; A813-K823 HydrophobicContact CB-CB 4.36Å; A813-K823 HydrophobicContact CB-CG 4.01Å; A813-S826 VanDerWaalsContact CB-OG 3.31Å; A813-S826 WeakPolarHBondContact CB-OG 3.29Å; A813-I828 PolarHBondContact N-O 2.95Å; A813-I829 HydrophobicContact CB-CG1 4.41Å; A813-L830 PolarHBondContact O-N 2.88Å
814	M	87.4	Confident	84.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.8	165.4	-59.2	-52.3	108.6	0	0	109.8	T479 G796 D797 A817 G818 K823 L830 D833	T479-M814 HydrophobicContact CG2-CE 4.09Å; T479-M814 WeakPolarHBondContact OG1-CE 3.42Å; G796-M814 PolarHBondContact O-N 3.07Å; D797-M814 HydrophobicContact CB-CB 4.11Å; D797-M814 HydrophobicContact CB-CG 3.81Å; M814-A817 HydrophobicContact CB-CB 4.47Å; M814-G818 VanDerWaalsContact O-CA 3.27Å; M814-G818 WeakPolarHBondContact O-CA 3.45Å; M814-G818 PolarHBondContact O-N 3.42Å; M814-K823 WeakPolarHBondContact O-CE 3.49Å; M814-L830 HydrophobicContact CE-CD1 3.81Å; M814-L830 HydrophobicContact SD-CD1 4.42Å; M814-D833 HydrophobicContact CB-CB 4.45Å; M814-D833 WeakPolarHBondContact CB-OD1 3.5Å; M814-D833 HydrophobicContact SD-CB 3.93Å
815	G	80.8	Confident	84.1	Confident	12 Å²	12	29.2 Å²	29.2	12%	0.124	16%	0.158	C	C	.	.	S	Bend	trans	-79.8	-38.4	-180	0	0	0	0	0	113.1	K823 L830 D833	G815-K823 WeakPolarHBondContact O-CE 3.3Å; G815-K823 PolarHBondContact O-NZ 2.86Å; G815-L830 WeakPolarHBondContact CA-O 3.18Å; G815-L830 PolarHBondContact N-O 3.48Å; G815-D833 PolarHBondContact N-OD1 3.28Å
816	I	75	Confident	84.2	Confident	129 Å²	129	29.2 Å²	29.2	66%	0.662	16%	0.158	S	C	*	.	S	Bend	trans	-92.2	-53.2	-174.2	-49.4	174.4	0	0	0	110.8	D833	I816-D833 WeakPolarHBondContact CB-OD2 3.36Å; I816-D833 PolarHBondContact N-OD1 2.99Å
817	A	69.2	Low	84.5	Confident	42 Å²	42	24.4 Å²	24.4	35%	0.347	14%	0.139	S	C	.	.	S	Bend	trans	-84.9	-17.6	-179.6	0	0	0	0	0	114	M814 D833	M814-A817 HydrophobicContact CB-CB 4.47Å; A817-D833 WeakPolarHBondContact CB-OD2 3.43Å; A817-D833 PolarHBondContact N-OD2 2.92Å
818	G	75.6	Confident	84.6	Confident	7 Å²	7	21.3 Å²	21.3	7%	0.072	13%	0.125	C	C	.	.			trans	-73.6	141.3	-173.6	0	0	0	0	0	114.1	D797 M814 K823	D797-G818 WeakPolarHBondContact O-CA 3.42Å; M814-G818 VanDerWaalsContact O-CA 3.27Å; M814-G818 WeakPolarHBondContact O-CA 3.45Å; M814-G818 PolarHBondContact O-N 3.42Å; G818-K823 WeakPolarHBondContact O-CE 3.4Å; G818-K823 PolarHBondContact O-NZ 2.92Å
819	T	76.1	Confident	84.6	Confident	24 Å²	24	21 Å²	21	15%	0.147	12%	0.121	C	C	.	.			trans	-63.7	152.2	164.9	57.5	0	0	0	0	110.9	G221 D797 T799 V821 A822 K823	G221-T819 WeakPolarHBondContact O-CB 3.23Å; D797-T819 WeakPolarHBondContact O-CB 3.37Å; D797-T819 WeakPolarHBondContact O-CG2 3.5Å; D797-T819 PolarHBondContact O-N 3.36Å; D797-T819 PolarHBondContact O-OG1 2.92Å; T799-T819 HydrophobicContact CG2-CG2 4.24Å; T799-T819 PolarHBondContact N-OG1 3.05Å; T819-V821 VanDerWaalsContact C-N 3.29Å; T819-V821 PolarHBondContact O-N 3.23Å; T819-A822 WeakPolarHBondContact O-CB 3.48Å; T819-A822 PolarHBondContact O-N 3.01Å; T819-A822 VanDerWaalsContact O-N 3.16Å; T819-A822 WeakPolarHBondContact OG1-CB 3.17Å; T819-A822 PolarHBondContact OG1-N 3.41Å; T819-K823 PolarHBondContact O-N 3.33Å; T819-K823 VanDerWaalsContact O-N 3.13Å
820	D	77.9	Confident	84.5	Confident	30 Å²	30	19.9 Å²	19.9	16%	0.16	12%	0.115	C	C	.	.	H	α-helix	trans	-71.8	-29.3	-177.8	-61.3	-37.9	0	0	0	111.3	G221 L223 A822 K823 E824	G221-D820 PolarHBondContact O-N 2.92Å; L223-D820 HydrophobicContact CB-CB 3.93Å; D820-A822 VanDerWaalsContact C-N 3.32Å; D820-A822 PolarHBondContact O-N 3.03Å; D820-K823 WeakPolarHBondContact O-CB 3.21Å; D820-K823 PolarHBondContact O-N 2.94Å; D820-K823 WeakPolarHBondContact OD1-CD 3.44Å; D820-K823 IonicContact OD1-NZ 2.92Å; D820-K823 PolarHBondContact OD1-NZ 3.13Å; D820-E824 WeakPolarHBondContact O-CB 3.5Å; D820-E824 WeakPolarHBondContact O-CG 3.27Å; D820-E824 PolarHBondContact O-N 3.26Å
821	V	75.3	Confident	84.2	Confident	18 Å²	18	21.8 Å²	21.8	11%	0.109	13%	0.126	C	C	.	.	H	α-helix	trans	-54.5	-45.4	167.6	-172.4	0	0	0	0	111.7	H265 T799 T819 E824 A825	H265-V821 HydrophobicContact CB-CG2 3.8Å; T799-V821 HydrophobicContact CG2-CB 3.84Å; T799-V821 HydrophobicContact CG2-CG1 4.34Å; T799-V821 HydrophobicContact CG2-CG2 3.63Å; T819-V821 VanDerWaalsContact C-N 3.29Å; T819-V821 PolarHBondContact O-N 3.23Å; V821-E824 PolarHBondContact O-N 2.92Å; V821-A825 WeakPolarHBondContact O-CB 3.2Å; V821-A825 PolarHBondContact O-N 2.99Å
822	A	79.6	Confident	83.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.3	-43.1	177.6	0	0	0	0	0	111.4	L805 A813 T819 D820 E824 A825 S826	L805-A822 HydrophobicContact CD1-CB 3.99Å; A813-A822 HydrophobicContact CB-CB 4.44Å; T819-A822 WeakPolarHBondContact O-CB 3.48Å; T819-A822 PolarHBondContact O-N 3.01Å; T819-A822 VanDerWaalsContact O-N 3.16Å; T819-A822 WeakPolarHBondContact OG1-CB 3.17Å; T819-A822 PolarHBondContact OG1-N 3.41Å; D820-A822 VanDerWaalsContact C-N 3.32Å; D820-A822 PolarHBondContact O-N 3.03Å; A822-E824 VanDerWaalsContact C-N 3.33Å; A822-E824 PolarHBondContact O-N 3.04Å; A822-A825 PolarHBondContact O-N 3.21Å; A822-S826 VanDerWaalsContact O-CB 3.31Å; A822-S826 WeakPolarHBondContact O-CB 3.45Å; A822-S826 PolarHBondContact O-N 3.35Å
823	K	84.4	Confident	83.3	Confident	41 Å²	41	23.9 Å²	23.9	18%	0.178	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-42.9	175.3	-66.4	171.5	-157	153	0	111.8	R458 A813 M814 G815 G818 T819 D820 S826 I829	R458-K823 PolarHBondContact NH1-O 2.83Å; A813-K823 HydrophobicContact CB-CB 4.36Å; A813-K823 HydrophobicContact CB-CG 4.01Å; M814-K823 WeakPolarHBondContact O-CE 3.49Å; G815-K823 WeakPolarHBondContact O-CE 3.3Å; G815-K823 PolarHBondContact O-NZ 2.86Å; G818-K823 WeakPolarHBondContact O-CE 3.4Å; G818-K823 PolarHBondContact O-NZ 2.92Å; T819-K823 PolarHBondContact O-N 3.33Å; T819-K823 VanDerWaalsContact O-N 3.13Å; D820-K823 WeakPolarHBondContact O-CB 3.21Å; D820-K823 PolarHBondContact O-N 2.94Å; D820-K823 WeakPolarHBondContact OD1-CD 3.44Å; D820-K823 IonicContact OD1-NZ 2.92Å; D820-K823 PolarHBondContact OD1-NZ 3.13Å; K823-S826 PolarHBondContact O-N 2.85Å; K823-S826 PolarHBondContact O-OG 3.12Å; K823-I829 HydrophobicContact CB-CD1 3.84Å; K823-I829 HydrophobicContact CB-CG1 4.26Å; K823-I829 HydrophobicContact CD-CD1 4.4Å; K823-I829 HydrophobicContact CG-CD1 4.04Å; K823-I829 HydrophobicContact CG-CG1 4.27Å
824	E	81.1	Confident	83.2	Confident	65 Å²	65	25 Å²	25	30%	0.304	14%	0.144	S	C	.	.	H	α-helix	trans	-71.8	-35	-179.5	-66.6	-119.3	103.5	0	0	113.1	H265 R458 D820 V821 A822 S826	H265-E824 IonicContact CE1-OE2 2.72Å; R458-E824 PolarHBondContact NH1-O 3.14Å; R458-E824 IonicContact NH2-OE1 2.67Å; R458-E824 PolarHBondContact NH2-OE1 2.83Å; D820-E824 WeakPolarHBondContact O-CB 3.5Å; D820-E824 WeakPolarHBondContact O-CG 3.27Å; D820-E824 PolarHBondContact O-N 3.26Å; V821-E824 PolarHBondContact O-N 2.92Å; A822-E824 VanDerWaalsContact C-N 3.33Å; A822-E824 PolarHBondContact O-N 3.04Å; E824-S826 VanDerWaalsContact C-N 3.32Å
825	A	80.6	Confident	83.3	Confident	14 Å²	14	25 Å²	25	12%	0.116	14%	0.144	C	C	.	.	H	α-helix	trans	-70.7	-24.6	171.8	0	0	0	0	0	113.5	L805 K806 V821 A822	L805-A825 HydrophobicContact CB-CB 4.09Å; L805-A825 HydrophobicContact CD1-CB 4.4Å; K806-A825 WeakPolarHBondContact CD-O 3.42Å; V821-A825 WeakPolarHBondContact O-CB 3.2Å; V821-A825 PolarHBondContact O-N 2.99Å; A822-A825 PolarHBondContact O-N 3.21Å
826	S	89.2	Confident	83.8	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.			trans	-84.4	157.7	-175.5	76.9	0	0	0	0	115.1	R458 G811 A813 A822 K823 E824	R458-S826 PolarHBondContact NH1-O 3.16Å; G811-S826 WeakPolarHBondContact O-CB 3.29Å; A813-S826 VanDerWaalsContact CB-OG 3.31Å; A813-S826 WeakPolarHBondContact CB-OG 3.29Å; A822-S826 VanDerWaalsContact O-CB 3.31Å; A822-S826 WeakPolarHBondContact O-CB 3.45Å; A822-S826 PolarHBondContact O-N 3.35Å; K823-S826 PolarHBondContact O-N 2.85Å; K823-S826 PolarHBondContact O-OG 3.12Å; E824-S826 VanDerWaalsContact C-N 3.32Å
827	D	91.7	Very high	84.7	Confident	22 Å²	22	20.2 Å²	20.2	12%	0.118	12%	0.118	C	C	.	.	S	Bend	trans	-95.6	-26.1	175.2	-51.7	-62.3	0	0	0	112.6	R458 H459 A462 V810 G811	R458-D827 WeakPolarHBondContact CB-O 3.2Å; R458-D827 PolarHBondContact N-O 3.29Å; H459-D827 HydrophobicContact CB-CB 4.11Å; H459-D827 IonicContact CD2-OD1 2.69Å; H459-D827 PolarHBondContact CD2-OD1 3.34Å; H459-D827 IonicContact CG-OD1 3.71Å; H459-D827 PolarHBondContact N-O 3.15Å; A462-D827 HydrophobicContact CB-CB 3.47Å; A462-D827 VanDerWaalsContact CB-CB 3.47Å; V810-D827 WeakPolarHBondContact CA-OD2 3.36Å; G811-D827 PolarHBondContact N-OD2 3.02Å; G811-D827 PolarHBondContact O-N 3.33Å
828	I	93.3	Very high	85.9	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.1	179.5	-52.5	-179.1	0	0	0	109.5	M450 N455 L456 V457 A462 V810 G811 F812 A813	M450-I828 HydrophobicContact CE-CD1 4.37Å; N455-I828 HydrophobicContact CB-CG2 4.25Å; L456-I828 WeakPolarHBondContact O-CA 3.34Å; V457-I828 HydrophobicContact CG1-CG1 4.36Å; V457-I828 HydrophobicContact CG2-CD1 4.26Å; V457-I828 HydrophobicContact CG2-CG1 4.18Å; V457-I828 HydrophobicContact CG2-CG2 4.36Å; A462-I828 HydrophobicContact CB-CD1 4.48Å; A462-I828 HydrophobicContact CB-CG1 4.37Å; V810-I828 HydrophobicContact CG1-CD1 4.06Å; V810-I828 HydrophobicContact CG1-CG1 4.38Å; G811-I828 PolarHBondContact O-N 3.47Å; G811-I828 VanDerWaalsContact O-N 3.09Å; F812-I828 VanDerWaalsContact CA-O 3.3Å; F812-I828 WeakPolarHBondContact CA-O 3.45Å; F812-I828 HydrophobicContact CD1-CB 3.89Å; F812-I828 HydrophobicContact CD1-CG2 4.03Å; F812-I828 HydrophobicContact CE1-CB 3.89Å; F812-I828 HydrophobicContact CE1-CD1 3.9Å; F812-I828 HydrophobicContact CE1-CG1 4.43Å; F812-I828 HydrophobicContact CE1-CG2 3.87Å; F812-I828 HydrophobicContact CZ-CD1 3.97Å; A813-I828 PolarHBondContact N-O 2.95Å
829	I	91	Very high	86.8	Confident	13 Å²	13	18.4 Å²	18.4	7%	0.067	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.8	171.2	-61.3	170.4	0	0	0	109.1	L456 R458 A813 K823	L456-I829 HydrophobicContact CB-CB 4.27Å; L456-I829 HydrophobicContact CD2-CD1 4.47Å; L456-I829 PolarHBondContact N-O 3.09Å; L456-I829 PolarHBondContact O-N 3.23Å; R458-I829 HydrophobicContact CG-CD1 4.38Å; A813-I829 HydrophobicContact CB-CG1 4.41Å; K823-I829 HydrophobicContact CB-CD1 3.84Å; K823-I829 HydrophobicContact CB-CG1 4.26Å; K823-I829 HydrophobicContact CD-CD1 4.4Å; K823-I829 HydrophobicContact CG-CD1 4.04Å; K823-I829 HydrophobicContact CG-CG1 4.27Å
830	L	91.5	Very high	87.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	106.5	173.3	-56.1	-176	0	0	0	109.6	N454 N455 F812 A813 M814 G815 D832 D833 I838	N454-L830 WeakPolarHBondContact O-CA 3.49Å; N455-L830 WeakPolarHBondContact OD1-CD2 3.47Å; F812-L830 HydrophobicContact CD1-CD1 4.42Å; F812-L830 HydrophobicContact CD1-CD2 3.72Å; F812-L830 HydrophobicContact CD1-CG 4.11Å; F812-L830 HydrophobicContact CE1-CD2 4.07Å; A813-L830 PolarHBondContact O-N 2.88Å; M814-L830 HydrophobicContact CE-CD1 3.81Å; M814-L830 HydrophobicContact SD-CD1 4.42Å; G815-L830 WeakPolarHBondContact CA-O 3.18Å; G815-L830 PolarHBondContact N-O 3.48Å; L830-D832 PolarHBondContact O-N 2.9Å; L830-D832 VanDerWaalsContact O-N 3.11Å; L830-D833 PolarHBondContact O-N 3.41Å; L830-I838 HydrophobicContact CD1-CD1 4Å; L830-I838 HydrophobicContact CD1-CG1 3.64Å; L830-I838 HydrophobicContact CD2-CG1 4.35Å
831	T	88.4	Confident	88.4	Confident	40 Å²	40	19.1 Å²	19.1	25%	0.245	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.1	-173.6	65.6	0	0	0	0	113.9	N454 L456	N454-T831 WeakPolarHBondContact CA-OG1 3.48Å; N454-T831 WeakPolarHBondContact CB-OG1 3.27Å; N454-T831 PolarHBondContact O-N 2.93Å; N454-T831 PolarHBondContact O-OG1 3.18Å; L456-T831 HydrophobicContact CB-CG2 3.95Å
832	D	86.4	Confident	89.4	Confident	38 Å²	38	18.3 Å²	18.3	20%	0.203	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	6.1	177	66.9	-7.3	0	0	0	114.2	N454 L830 N834 S837	N454-D832 HydrophobicContact CB-CB 4.04Å; N454-D832 VanDerWaalsContact CB-CG 3.47Å; N454-D832 WeakPolarHBondContact CB-OD2 3.47Å; N454-D832 PolarHBondContact ND2-OD2 2.89Å; L830-D832 PolarHBondContact O-N 2.9Å; L830-D832 VanDerWaalsContact O-N 3.11Å; D832-N834 HydrophobicContact CB-CB 4.35Å; D832-N834 PolarHBondContact O-N 3.34Å; D832-N834 VanDerWaalsContact O-N 3.09Å; D832-N834 VanDerWaalsContact OD1-CB 3.24Å; D832-N834 WeakPolarHBondContact OD1-CB 3.21Å; D832-N834 PolarHBondContact OD1-N 3.2Å; D832-N834 VanDerWaalsContact OD1-N 3.1Å; D832-N834 WeakPolarHBondContact OD2-CB 3.44Å; D832-S837 PolarHBondContact OD1-OG 2.52Å; D832-S837 PolarHBondContact OD2-OG 3.45Å; D832-S837 VanDerWaalsContact OD2-OG 3.07Å
833	D	85.6	Confident	90.1	Very high	7 Å²	7	19.6 Å²	19.6	4%	0.037	10%	0.102	C	C	.	.			trans	49.8	28	-173.8	-63.2	3	0	0	0	113.8	R687 M814 G815 I816 A817 L830	R687-D833 PolarHBondContact NH1-O 3.13Å; R687-D833 PolarHBondContact NH2-O 2.89Å; R687-D833 VanDerWaalsContact NH2-O 3.13Å; M814-D833 HydrophobicContact CB-CB 4.45Å; M814-D833 WeakPolarHBondContact CB-OD1 3.5Å; M814-D833 HydrophobicContact SD-CB 3.93Å; G815-D833 PolarHBondContact N-OD1 3.28Å; I816-D833 WeakPolarHBondContact CB-OD2 3.36Å; I816-D833 PolarHBondContact N-OD1 2.99Å; A817-D833 WeakPolarHBondContact CB-OD2 3.43Å; A817-D833 PolarHBondContact N-OD2 2.92Å; L830-D833 PolarHBondContact O-N 3.41Å
834	N	86.3	Confident	90.5	Very high	24 Å²	24	18.2 Å²	18.2	13%	0.128	10%	0.096	C	C	.	.			trans	-102.1	126.6	-168.6	-157.8	-53	0	0	0	113.1	E689 D832 T836 S837	E689-N834 WeakPolarHBondContact CG-OD1 3.29Å; E689-N834 PolarHBondContact OE1-ND2 3.11Å; E689-N834 PolarHBondContact OE1-OD1 3.37Å; D832-N834 HydrophobicContact CB-CB 4.35Å; D832-N834 PolarHBondContact O-N 3.34Å; D832-N834 VanDerWaalsContact O-N 3.09Å; D832-N834 VanDerWaalsContact OD1-CB 3.24Å; D832-N834 WeakPolarHBondContact OD1-CB 3.21Å; D832-N834 PolarHBondContact OD1-N 3.2Å; D832-N834 VanDerWaalsContact OD1-N 3.1Å; D832-N834 WeakPolarHBondContact OD2-CB 3.44Å; N834-T836 VanDerWaalsContact CG-OG1 3.23Å; N834-T836 PolarHBondContact O-N 2.92Å; N834-T836 WeakPolarHBondContact OD1-CB 3.46Å; N834-T836 WeakPolarHBondContact OD1-CG2 3.41Å; N834-T836 PolarHBondContact OD1-N 3.26Å; N834-T836 PolarHBondContact OD1-OG1 3.26Å; N834-S837 WeakPolarHBondContact O-CB 3.47Å; N834-S837 PolarHBondContact O-N 3.45Å
835	F	89.8	Confident	91	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.9	-25	175.9	-163.4	-90.2	0	0	0	113.1	I472 T479 L480 V690 A693 I694 V704 S837 I838 V839	I472-F835 HydrophobicContact CD1-CZ 4.4Å; I472-F835 HydrophobicContact CG2-CE2 4.25Å; I472-F835 HydrophobicContact CG2-CZ 4.33Å; T479-F835 HydrophobicContact CG2-CD2 3.81Å; L480-F835 HydrophobicContact CD2-CD2 3.62Å; L480-F835 HydrophobicContact CD2-CE2 3.86Å; L480-F835 HydrophobicContact CD2-CG 4.15Å; V690-F835 HydrophobicContact CG2-CB 3.76Å; V690-F835 HydrophobicContact CG2-CG 4.49Å; A693-F835 HydrophobicContact CB-CD1 3.74Å; A693-F835 HydrophobicContact CB-CE1 4.4Å; I694-F835 HydrophobicContact CG1-CD1 4.22Å; I694-F835 HydrophobicContact CG1-CE1 3.68Å; I694-F835 HydrophobicContact CG1-CZ 4.13Å; V704-F835 HydrophobicContact CG1-CZ 4.21Å; V704-F835 HydrophobicContact CG2-CZ 4.2Å; F835-S837 PolarHBondContact O-N 2.96Å; F835-I838 HydrophobicContact CD2-CD1 3.75Å; F835-I838 HydrophobicContact CE2-CD1 3.99Å; F835-I838 HydrophobicContact CG-CD1 4.36Å; F835-I838 WeakPolarHBondContact O-CB 3.21Å; F835-I838 PolarHBondContact O-N 2.89Å; F835-V839 PolarHBondContact O-N 3.39Å
836	T	91.7	Very high	91.6	Very high	40 Å²	40	14.6 Å²	14.6	25%	0.245	8%	0.077	C	C	.	.	H	α-helix	trans	-63.5	-30	172.3	61.3	0	0	0	0	112.5	E689 A693 N834 I838 V839 K840	E689-T836 HydrophobicContact CB-CG2 3.75Å; E689-T836 HydrophobicContact CG-CG2 3.62Å; A693-T836 HydrophobicContact CB-CG2 3.94Å; N834-T836 VanDerWaalsContact CG-OG1 3.23Å; N834-T836 PolarHBondContact O-N 2.92Å; N834-T836 WeakPolarHBondContact OD1-CB 3.46Å; N834-T836 WeakPolarHBondContact OD1-CG2 3.41Å; N834-T836 PolarHBondContact OD1-N 3.26Å; N834-T836 PolarHBondContact OD1-OG1 3.26Å; T836-I838 VanDerWaalsContact C-N 3.27Å; T836-I838 PolarHBondContact O-N 3.47Å; T836-V839 WeakPolarHBondContact O-CB 3.42Å; T836-V839 PolarHBondContact O-N 2.93Å; T836-K840 PolarHBondContact O-N 3.45Å
837	S	93.9	Very high	91.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-34.7	175.3	-60.1	0	0	0	0	111.1	N455 D832 N834 F835 K840 A841	N455-S837 WeakPolarHBondContact ND2-CB 3.5Å; N455-S837 PolarHBondContact ND2-O 3.15Å; N455-S837 PolarHBondContact OD1-O 3.3Å; N455-S837 VanDerWaalsContact OD1-O 3.14Å; D832-S837 PolarHBondContact OD1-OG 2.52Å; D832-S837 PolarHBondContact OD2-OG 3.45Å; D832-S837 VanDerWaalsContact OD2-OG 3.07Å; N834-S837 WeakPolarHBondContact O-CB 3.47Å; N834-S837 PolarHBondContact O-N 3.45Å; F835-S837 PolarHBondContact O-N 2.96Å; S837-K840 WeakPolarHBondContact O-CB 3.41Å; S837-K840 PolarHBondContact O-N 2.97Å; S837-A841 PolarHBondContact O-N 2.81Å
838	I	94.4	Very high	91.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65	-39.6	172.3	-52.8	177.8	0	0	0	111.4	M466 I472 T795 F812 L830 F835 T836 K840 A841 V842	M466-I838 HydrophobicContact CE-CG2 3.66Å; I472-I838 HydrophobicContact CD1-CG2 4.09Å; T795-I838 HydrophobicContact CG2-CD1 3.54Å; F812-I838 HydrophobicContact CD1-CG1 4.12Å; F812-I838 HydrophobicContact CE1-CG1 4.16Å; F812-I838 HydrophobicContact CE1-CG2 4.35Å; F812-I838 HydrophobicContact CE2-CG2 4.07Å; F812-I838 HydrophobicContact CG-CG1 4.44Å; F812-I838 HydrophobicContact CZ-CG2 3.93Å; L830-I838 HydrophobicContact CD1-CD1 4Å; L830-I838 HydrophobicContact CD1-CG1 3.64Å; L830-I838 HydrophobicContact CD2-CG1 4.35Å; F835-I838 HydrophobicContact CD2-CD1 3.75Å; F835-I838 HydrophobicContact CE2-CD1 3.99Å; F835-I838 HydrophobicContact CG-CD1 4.36Å; F835-I838 WeakPolarHBondContact O-CB 3.21Å; F835-I838 PolarHBondContact O-N 2.89Å; T836-I838 VanDerWaalsContact C-N 3.27Å; T836-I838 PolarHBondContact O-N 3.47Å; I838-K840 VanDerWaalsContact C-N 3.3Å; I838-K840 PolarHBondContact O-N 2.9Å; I838-A841 WeakPolarHBondContact O-CB 3.41Å; I838-A841 PolarHBondContact O-N 3.29Å; I838-A841 VanDerWaalsContact O-N 3.16Å; I838-V842 PolarHBondContact O-N 2.96Å
839	V	94.6	Very high	91.3	Very high	11 Å²	11	14.5 Å²	14.5	7%	0.067	8%	0.075	C	C	.	.	H	α-helix	trans	-63.4	-38.1	175.1	-172.6	0	0	0	0	110.9	A693 K696 F835 T836 V842 M843 L912	A693-V839 HydrophobicContact CB-CG2 3.79Å; K696-V839 HydrophobicContact CB-CG1 4.16Å; F835-V839 PolarHBondContact O-N 3.39Å; T836-V839 WeakPolarHBondContact O-CB 3.42Å; T836-V839 PolarHBondContact O-N 2.93Å; V839-V842 PolarHBondContact O-N 3.46Å; V839-M843 PolarHBondContact O-N 2.89Å; V839-M843 VanDerWaalsContact O-N 3.1Å; V839-L912 HydrophobicContact CG1-CD1 3.72Å
840	K	94.3	Very high	91.2	Very high	68 Å²	68	14.3 Å²	14.3	30%	0.296	7%	0.074	S	C	.	.	H	α-helix	trans	-64.9	-40.6	171.7	-61.6	-175.9	-177.8	-176.4	0	112	D453 T836 S837 I838 V842 M843 W844	D453-K840 HydrophobicContact CB-CD 3.72Å; D453-K840 WeakPolarHBondContact OD1-CD 3.39Å; D453-K840 WeakPolarHBondContact OD1-CE 3.46Å; D453-K840 IonicContact OD1-NZ 2.67Å; D453-K840 PolarHBondContact OD1-NZ 3.5Å; T836-K840 PolarHBondContact O-N 3.45Å; S837-K840 WeakPolarHBondContact O-CB 3.41Å; S837-K840 PolarHBondContact O-N 2.97Å; I838-K840 VanDerWaalsContact C-N 3.3Å; I838-K840 PolarHBondContact O-N 2.9Å; K840-V842 PolarHBondContact O-N 3.33Å; K840-M843 WeakPolarHBondContact O-CB 3.18Å; K840-M843 PolarHBondContact O-N 3.02Å; K840-M843 VanDerWaalsContact O-N 3.1Å; K840-W844 PolarHBondContact O-N 3.35Å
841	A	94.5	Very high	91.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.8	-42.2	176.4	0	0	0	0	0	112.5	M450 M466 F812 S837 I838 M843 W844 G845	M450-A841 HydrophobicContact CE-CB 3.83Å; M466-A841 HydrophobicContact CG-CB 4.21Å; F812-A841 HydrophobicContact CE1-CB 4.07Å; F812-A841 HydrophobicContact CZ-CB 3.99Å; S837-A841 PolarHBondContact O-N 2.81Å; I838-A841 WeakPolarHBondContact O-CB 3.41Å; I838-A841 PolarHBondContact O-N 3.29Å; I838-A841 VanDerWaalsContact O-N 3.16Å; A841-M843 VanDerWaalsContact C-N 3.32Å; A841-M843 PolarHBondContact O-N 3.3Å; A841-W844 PolarHBondContact O-N 2.96Å; A841-G845 PolarHBondContact O-N 3.11Å
842	V	94.8	Very high	91.1	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-58.8	-44.3	171.1	172.3	0	0	0	0	111.2	M466 I702 I838 V839 K840 R846 L912	M466-V842 HydrophobicContact CE-CG2 3.46Å; M466-V842 VanDerWaalsContact CE-CG2 3.46Å; M466-V842 HydrophobicContact CG-CG2 4.01Å; M466-V842 HydrophobicContact SD-CG2 4.45Å; I702-V842 HydrophobicContact CD1-CB 4.43Å; I702-V842 HydrophobicContact CD1-CG1 3.74Å; I702-V842 HydrophobicContact CD1-CG2 3.79Å; I838-V842 PolarHBondContact O-N 2.96Å; V839-V842 PolarHBondContact O-N 3.46Å; K840-V842 PolarHBondContact O-N 3.33Å; V842-R846 WeakPolarHBondContact O-CB 3.33Å; V842-R846 VanDerWaalsContact O-CG 3.31Å; V842-R846 WeakPolarHBondContact O-CG 3.23Å; V842-R846 PolarHBondContact O-N 3.05Å; V842-L912 HydrophobicContact CG1-CD2 3.89Å
843	M	94.2	Very high	91.3	Very high	28 Å²	28	11 Å²	11	14%	0.138	6%	0.056	C	C	.	.	H	α-helix	trans	-65.2	-44	-179.2	-157.9	-163.8	-65.4	0	0	111.8	V839 K840 A841 N847 P907 E909 L911 L912	V839-M843 PolarHBondContact O-N 2.89Å; V839-M843 VanDerWaalsContact O-N 3.1Å; K840-M843 WeakPolarHBondContact O-CB 3.18Å; K840-M843 PolarHBondContact O-N 3.02Å; K840-M843 VanDerWaalsContact O-N 3.1Å; A841-M843 VanDerWaalsContact C-N 3.32Å; A841-M843 PolarHBondContact O-N 3.3Å; M843-N847 WeakPolarHBondContact O-CB 3.5Å; M843-N847 PolarHBondContact O-N 3.01Å; M843-P907 HydrophobicContact CG-CB 3.91Å; M843-P907 HydrophobicContact SD-CB 3.88Å; M843-P907 HydrophobicContact SD-CG 4.32Å; M843-E909 HydrophobicContact CE-CG 4.09Å; M843-L911 HydrophobicContact CG-CB 4.31Å; M843-L911 HydrophobicContact CG-CD1 4.14Å; M843-L912 HydrophobicContact CB-CD2 4.27Å; M843-L912 HydrophobicContact CE-CD1 3.69Å; M843-L912 HydrophobicContact CE-CG 4.29Å; M843-L912 HydrophobicContact CG-CD2 4.47Å; M843-L912 HydrophobicContact CG-CG 4.32Å
844	W	93.5	Very high	91.5	Very high	12 Å²	12	11.5 Å²	11.5	5%	0.045	6%	0.057	C	C	.	.	H	α-helix	trans	-64.2	-45.6	175.1	-85.1	107.5	0	0	0	112.3	K449 M450 D453 K840 A841 R846 N847 V848 P907	K449-W844 HydrophobicContact CB-CH2 3.34Å; K449-W844 HydrophobicContact CB-CZ2 3.35Å; K449-W844 HydrophobicContact CB-CZ3 4.07Å; K449-W844 HydrophobicContact CD-CH2 4.4Å; K449-W844 HydrophobicContact CG-CH2 3.7Å; K449-W844 HydrophobicContact CG-CZ2 4.15Å; K449-W844 HydrophobicContact CG-CZ3 4.42Å; M450-W844 HydrophobicContact CG-CB 3.72Å; M450-W844 HydrophobicContact CG-CD2 3.96Å; M450-W844 HydrophobicContact CG-CG 3.44Å; M450-W844 VanDerWaalsContact CG-CG 3.44Å; M450-W844 HydrophobicContact SD-CB 3.63Å; M450-W844 HydrophobicContact SD-CG 4.06Å; D453-W844 PolarHBondContact OD2-NE1 3.44Å; K840-W844 PolarHBondContact O-N 3.35Å; A841-W844 PolarHBondContact O-N 2.96Å; W844-R846 PolarHBondContact O-N 3.48Å; W844-N847 WeakPolarHBondContact O-CA 3.28Å; W844-N847 WeakPolarHBondContact O-CB 3.4Å; W844-N847 PolarHBondContact O-N 2.91Å; W844-V848 PolarHBondContact O-N 3.43Å; W844-P907 HydrophobicContact CD2-CG 3.9Å; W844-P907 HydrophobicContact CE3-CG 4.21Å; W844-P907 HydrophobicContact CG-CG 4.42Å; W844-P907 HydrophobicContact CH2-CG 4.09Å; W844-P907 HydrophobicContact CZ2-CG 3.77Å; W844-P907 HydrophobicContact CZ3-CG 4.31Å
845	G	92	Very high	91.8	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-62.5	-38.8	177.6	0	0	0	0	0	113.6	C463 A841 N847 V848 Y849	C463-G845 WeakPolarHBondContact O-CA 3.49Å; A841-G845 PolarHBondContact O-N 3.11Å; G845-N847 VanDerWaalsContact C-N 3.31Å; G845-N847 PolarHBondContact O-N 2.71Å; G845-V848 PolarHBondContact O-N 3.05Å; G845-Y849 PolarHBondContact O-N 3.48Å
846	R	91.9	Very high	91.8	Very high	1 Å²	1	10.4 Å²	10.4	0%	0.004	5%	0.052	C	C	.	.	H	α-helix	trans	-65.2	-34.7	171.5	-72	177.1	-178.3	-160.1	0.9	112.2	G467 A700 V842 W844 D850 L911 R914	G467-R846 VanDerWaalsContact O-CG 3.27Å; G467-R846 WeakPolarHBondContact O-CG 3.47Å; G467-R846 PolarHBondContact O-NE 2.98Å; A700-R846 PolarHBondContact O-NH2 3.32Å; V842-R846 WeakPolarHBondContact O-CB 3.33Å; V842-R846 VanDerWaalsContact O-CG 3.31Å; V842-R846 WeakPolarHBondContact O-CG 3.23Å; V842-R846 PolarHBondContact O-N 3.05Å; W844-R846 PolarHBondContact O-N 3.48Å; R846-D850 PolarHBondContact O-N 3.34Å; R846-D850 VanDerWaalsContact O-N 3.1Å; R846-L911 HydrophobicContact CB-CB 4.29Å; R846-L911 VanDerWaalsContact CD-O 3.3Å; R846-L911 WeakPolarHBondContact CD-O 3.24Å; R846-L911 PolarHBondContact NH1-O 3.3Å; R846-R914 PolarHBondContact NH1-O 3.03Å
847	N	92	Very high	91.8	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.021	4%	0.041	C	C	.	.	H	α-helix	trans	-72.3	-34.3	177.6	-173.8	52.6	0	0	0	113.4	M843 W844 G845 D850 S851 E905 P907 L911	M843-N847 WeakPolarHBondContact O-CB 3.5Å; M843-N847 PolarHBondContact O-N 3.01Å; W844-N847 WeakPolarHBondContact O-CA 3.28Å; W844-N847 WeakPolarHBondContact O-CB 3.4Å; W844-N847 PolarHBondContact O-N 2.91Å; G845-N847 VanDerWaalsContact C-N 3.31Å; G845-N847 PolarHBondContact O-N 2.71Å; N847-D850 PolarHBondContact O-N 3.24Å; N847-S851 WeakPolarHBondContact O-CB 3.4Å; N847-S851 PolarHBondContact O-N 3.27Å; N847-S851 PolarHBondContact O-OG 2.95Å; N847-S851 PolarHBondContact OD1-OG 3.28Å; N847-E905 PolarHBondContact ND2-O 3.15Å; N847-P907 HydrophobicContact CB-CB 3.83Å; N847-L911 HydrophobicContact CB-CD1 3.74Å
848	V	89.7	Confident	91.8	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-60.1	-50.1	172.7	170.1	0	0	0	0	110.2	L443 S446 W844 G845 D850 S851 I852	L443-V848 HydrophobicContact CD1-CG1 4.15Å; L443-V848 HydrophobicContact CD1-CG2 4.44Å; S446-V848 WeakPolarHBondContact OG-CG2 3.41Å; W844-V848 PolarHBondContact O-N 3.43Å; G845-V848 PolarHBondContact O-N 3.05Å; V848-D850 PolarHBondContact O-N 3.45Å; V848-S851 PolarHBondContact O-N 2.95Å; V848-I852 HydrophobicContact CG1-CD1 3.76Å; V848-I852 WeakPolarHBondContact O-CG1 3.44Å; V848-I852 PolarHBondContact O-N 3.24Å
849	Y	87	Confident	91.7	Very high	16 Å²	16	8.9 Å²	8.9	6%	0.063	4%	0.042	C	C	.	.	H	α-helix	trans	-60.5	-46	177.9	-173.5	-87	0	0	0	112.5	L362 G845 S851 S853 Y917 L923	L362-Y849 HydrophobicContact CD1-CD2 4.46Å; L362-Y849 HydrophobicContact CD1-CE2 4.22Å; L362-Y849 HydrophobicContact CD2-CD2 4.22Å; G845-Y849 PolarHBondContact O-N 3.48Å; Y849-S851 PolarHBondContact O-N 2.87Å; Y849-S853 WeakPolarHBondContact O-CB 2.97Å; Y849-S853 PolarHBondContact O-N 3.46Å; Y849-S853 PolarHBondContact O-OG 2.86Å; Y849-Y917 AromaticContact CD1-CD2 3.87Å; Y849-Y917 HydrophobicContact CD1-CD2 3.87Å; Y849-Y917 HydrophobicContact CD1-CE1 4.46Å; Y849-Y917 AromaticContact CD1-CE2 3.78Å; Y849-Y917 HydrophobicContact CD1-CE2 3.78Å; Y849-Y917 HydrophobicContact CD1-CG 4.27Å; Y849-Y917 HydrophobicContact CE1-CD1 4Å; Y849-Y917 HydrophobicContact CE1-CD2 4.11Å; Y849-Y917 HydrophobicContact CE1-CE1 4.09Å; Y849-Y917 HydrophobicContact CE1-CE2 4.19Å; Y849-Y917 HydrophobicContact CE1-CG 4.03Å; Y849-Y917 HydrophobicContact CG-CD2 4.42Å; Y849-L923 HydrophobicContact CE2-CD1 3.99Å
850	D	89.5	Confident	91.5	Very high	8 Å²	8	9.1 Å²	9.1	4%	0.043	4%	0.043	C	C	.	.	H	α-helix	trans	-63.6	-40.7	177.3	-82.5	19.1	0	0	0	111.9	R846 N847 V848 S853 K854 L911 R914 Y917 I993 H994	R846-D850 PolarHBondContact O-N 3.34Å; R846-D850 VanDerWaalsContact O-N 3.1Å; N847-D850 PolarHBondContact O-N 3.24Å; V848-D850 PolarHBondContact O-N 3.45Å; D850-S853 CarbonylContact O-C 3.55Å; D850-S853 WeakPolarHBondContact O-CA 3.03Å; D850-S853 WeakPolarHBondContact O-CB 3.14Å; D850-S853 PolarHBondContact O-N 3Å; D850-S853 VanDerWaalsContact O-N 3.15Å; D850-K854 WeakPolarHBondContact O-CG 3.33Å; D850-K854 PolarHBondContact O-N 3.04Å; D850-L911 VanDerWaalsContact OD2-CD2 3.31Å; D850-L911 WeakPolarHBondContact OD2-CD2 3.41Å; D850-R914 IonicContact OD1-CZ 3.74Å; D850-R914 IonicContact OD1-NH1 2.59Å; D850-R914 IonicContact OD1-NH2 2.66Å; D850-R914 PolarHBondContact OD1-NH2 3.34Å; D850-R914 IonicContact OD2-CZ 3.16Å; D850-R914 IonicContact OD2-NH1 3.75Å; D850-R914 PolarHBondContact OD2-NH1 3.3Å; D850-R914 IonicContact OD2-NH2 2.8Å; D850-R914 PolarHBondContact OD2-NH2 3.3Å; D850-Y917 PolarHBondContact OD1-OH 3.2Å; D850-I993 HydrophobicContact CB-CD1 4.18Å; D850-H994 IonicContact OD1-CE1 2.67Å; D850-H994 IonicContact OD2-CE1 2.61Å; D850-H994 PolarHBondContact OD2-CE1 2.94Å; D850-H994 IonicContact OD2-ND1 2.68Å
851	S	89.8	Confident	91.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-73.6	-34.2	-175.2	-57.2	0	0	0	0	112.5	N847 V848 Y849 S853 K854 F855	N847-S851 WeakPolarHBondContact O-CB 3.4Å; N847-S851 PolarHBondContact O-N 3.27Å; N847-S851 PolarHBondContact O-OG 2.95Å; N847-S851 PolarHBondContact OD1-OG 3.28Å; V848-S851 PolarHBondContact O-N 2.95Å; Y849-S851 PolarHBondContact O-N 2.87Å; S851-S853 VanDerWaalsContact C-N 3.31Å; S851-K854 PolarHBondContact O-N 2.9Å; S851-K854 PolarHBondContact OG-NZ 3.43Å; S851-F855 PolarHBondContact O-N 2.84Å; S851-F855 VanDerWaalsContact O-N 3.09Å
852	I	87.9	Confident	91.4	Very high	3 Å²	3	6 Å²	6	2%	0.015	3%	0.029	C	C	.	.	H	α-helix	trans	-65.6	-37.3	167.6	-66.6	162.9	0	0	0	110.4	L362 L366 V439 V848 F855 L856	L362-I852 HydrophobicContact CD2-CB 4.3Å; L362-I852 HydrophobicContact CD2-CD1 3.46Å; L362-I852 VanDerWaalsContact CD2-CD1 3.46Å; L362-I852 HydrophobicContact CD2-CG1 4.48Å; L362-I852 HydrophobicContact CD2-CG2 4.12Å; L366-I852 HydrophobicContact CD1-CG2 4.26Å; V439-I852 HydrophobicContact CB-CD1 4.22Å; V439-I852 HydrophobicContact CG1-CD1 3.98Å; V439-I852 HydrophobicContact CG2-CD1 4.21Å; V848-I852 HydrophobicContact CG1-CD1 3.76Å; V848-I852 WeakPolarHBondContact O-CG1 3.44Å; V848-I852 PolarHBondContact O-N 3.24Å; I852-F855 PolarHBondContact O-N 3.06Å; I852-L856 HydrophobicContact CG2-CD1 4.05Å; I852-L856 HydrophobicContact CG2-CG 4.46Å; I852-L856 WeakPolarHBondContact O-CB 3.13Å; I852-L856 VanDerWaalsContact O-CG 3.27Å; I852-L856 WeakPolarHBondContact O-CG 3.37Å; I852-L856 PolarHBondContact O-N 3.37Å
853	S	89.3	Confident	91.2	Very high	6 Å²	6	6.3 Å²	6.3	4%	0.042	3%	0.031	C	C	.	.	H	α-helix	trans	-68	-35.6	175.4	-56.6	0	0	0	0	113.2	Y849 D850 S851 Q857	Y849-S853 WeakPolarHBondContact O-CB 2.97Å; Y849-S853 PolarHBondContact O-N 3.46Å; Y849-S853 PolarHBondContact O-OG 2.86Å; D850-S853 CarbonylContact O-C 3.55Å; D850-S853 WeakPolarHBondContact O-CA 3.03Å; D850-S853 WeakPolarHBondContact O-CB 3.14Å; D850-S853 PolarHBondContact O-N 3Å; D850-S853 VanDerWaalsContact O-N 3.15Å; S851-S853 VanDerWaalsContact C-N 3.31Å; S853-Q857 WeakPolarHBondContact O-CB 3.39Å; S853-Q857 PolarHBondContact O-N 2.7Å
854	K	91.3	Very high	91.1	Very high	17 Å²	17	7.4 Å²	7.4	7%	0.074	4%	0.039	C	C	.	.	H	α-helix	trans	-60.5	-52.6	171.2	-66.2	165.2	-154	157.7	0	110.6	D850 S851 L856 Q857 F858 E905 A990 R991 I993	D850-K854 WeakPolarHBondContact O-CG 3.33Å; D850-K854 PolarHBondContact O-N 3.04Å; S851-K854 PolarHBondContact O-N 2.9Å; S851-K854 PolarHBondContact OG-NZ 3.43Å; K854-L856 PolarHBondContact O-N 3.49Å; K854-Q857 WeakPolarHBondContact O-CB 3.36Å; K854-Q857 PolarHBondContact O-N 2.93Å; K854-Q857 VanDerWaalsContact O-N 3.15Å; K854-F858 PolarHBondContact O-N 3.46Å; K854-F858 VanDerWaalsContact O-N 3.12Å; K854-E905 HydrophobicContact CD-CG 4.48Å; K854-A990 WeakPolarHBondContact CB-O 3.14Å; K854-A990 WeakPolarHBondContact CG-O 3.46Å; K854-R991 WeakPolarHBondContact CD-O 3.1Å; K854-I993 HydrophobicContact CB-CG2 4.49Å; K854-I993 HydrophobicContact CG-CG2 4.03Å
855	F	91.3	Very high	91.2	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	4%	0.037	C	C	.	.	H	α-helix	trans	-56.7	-49.1	177.6	166.6	-110	0	0	0	111.9	A438 S851 I852 Q857 F858 Q859 S899 L902	A438-F855 HydrophobicContact CB-CD1 3.52Å; A438-F855 HydrophobicContact CB-CE1 3.47Å; A438-F855 VanDerWaalsContact CB-CE1 3.47Å; A438-F855 HydrophobicContact CB-CG 4.23Å; A438-F855 HydrophobicContact CB-CZ 4.14Å; S851-F855 PolarHBondContact O-N 2.84Å; S851-F855 VanDerWaalsContact O-N 3.09Å; I852-F855 PolarHBondContact O-N 3.06Å; F855-Q857 VanDerWaalsContact C-N 3.3Å; F855-Q857 PolarHBondContact O-N 3.47Å; F855-F858 WeakPolarHBondContact O-CB 3.38Å; F855-F858 PolarHBondContact O-N 3.02Å; F855-F858 VanDerWaalsContact O-N 3.16Å; F855-Q859 HydrophobicContact CE2-CB 4.04Å; F855-Q859 HydrophobicContact CE2-CG 4.33Å; F855-Q859 HydrophobicContact CZ-CB 4.05Å; F855-Q859 HydrophobicContact CZ-CG 3.97Å; F855-Q859 WeakPolarHBondContact O-CB 3.19Å; F855-Q859 PolarHBondContact O-N 2.96Å; F855-S899 VanDerWaalsContact CD2-CA 3.47Å; F855-L902 HydrophobicContact CB-CB 4.29Å
856	L	89.4	Confident	91.1	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-61.7	-35	177.1	-71.3	168.3	0	0	0	113	L366 L435 I852 K854 F858 L860 L923 M928	L366-L856 HydrophobicContact CD2-CD1 3.9Å; L366-L856 HydrophobicContact CD2-CD2 4.11Å; L435-L856 HydrophobicContact CD1-CD2 3.74Å; L435-L856 HydrophobicContact CG-CD2 4.09Å; I852-L856 HydrophobicContact CG2-CD1 4.05Å; I852-L856 HydrophobicContact CG2-CG 4.46Å; I852-L856 WeakPolarHBondContact O-CB 3.13Å; I852-L856 VanDerWaalsContact O-CG 3.27Å; I852-L856 WeakPolarHBondContact O-CG 3.37Å; I852-L856 PolarHBondContact O-N 3.37Å; K854-L856 PolarHBondContact O-N 3.49Å; L856-F858 VanDerWaalsContact C-N 3.31Å; L856-L860 HydrophobicContact CB-CD1 4.44Å; L856-L860 WeakPolarHBondContact O-CB 3.47Å; L856-L860 WeakPolarHBondContact O-CD1 3.39Å; L856-L860 WeakPolarHBondContact O-CG 3.43Å; L856-L860 PolarHBondContact O-N 3.45Å; L856-L923 HydrophobicContact CD1-CD1 4.18Å; L856-L923 HydrophobicContact CD1-CD2 3.59Å; L856-L923 HydrophobicContact CD1-CG 3.77Å; L856-M928 HydrophobicContact CB-CE 3.39Å
857	Q	92.7	Very high	91	Very high	4 Å²	4	7.7 Å²	7.7	2%	0.019	4%	0.042	C	C	.	.	H	α-helix	trans	-65	-40.8	177.3	-167.2	-171.8	-93	0	0	110.4	S853 K854 F855 T861 M928 N931 I932	S853-Q857 WeakPolarHBondContact O-CB 3.39Å; S853-Q857 PolarHBondContact O-N 2.7Å; K854-Q857 WeakPolarHBondContact O-CB 3.36Å; K854-Q857 PolarHBondContact O-N 2.93Å; K854-Q857 VanDerWaalsContact O-N 3.15Å; F855-Q857 VanDerWaalsContact C-N 3.3Å; F855-Q857 PolarHBondContact O-N 3.47Å; Q857-T861 PolarHBondContact O-N 3.42Å; Q857-T861 PolarHBondContact O-OG1 3.08Å; Q857-M928 HydrophobicContact CB-CE 4.17Å; Q857-M928 HydrophobicContact CB-CG 4.06Å; Q857-M928 HydrophobicContact CG-CG 3.99Å; Q857-N931 HydrophobicContact CG-CB 4.24Å; Q857-N931 PolarHBondContact OE1-ND2 3.01Å; Q857-I932 HydrophobicContact CG-CG1 3.96Å
858	F	93.9	Very high	91	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	6%	0.055	C	C	.	.	H	α-helix	trans	-64.6	-61.7	174	-176.4	-119.7	0	0	0	111.1	K854 F855 L856 L860 T861 V862 M894 A898 L902 Q983 N986 E987 A990	K854-F858 PolarHBondContact O-N 3.46Å; K854-F858 VanDerWaalsContact O-N 3.12Å; F855-F858 WeakPolarHBondContact O-CB 3.38Å; F855-F858 PolarHBondContact O-N 3.02Å; F855-F858 VanDerWaalsContact O-N 3.16Å; L856-F858 VanDerWaalsContact C-N 3.31Å; F858-L860 PolarHBondContact O-N 3.12Å; F858-T861 WeakPolarHBondContact O-CA 3.23Å; F858-T861 WeakPolarHBondContact O-CB 3.26Å; F858-T861 PolarHBondContact O-N 3.18Å; F858-V862 HydrophobicContact CD2-CG2 4.39Å; F858-V862 HydrophobicContact CE1-CG2 4.35Å; F858-V862 HydrophobicContact CE2-CG2 4.06Å; F858-V862 HydrophobicContact CZ-CG2 4.06Å; F858-V862 PolarHBondContact O-N 3.39Å; F858-V862 VanDerWaalsContact O-N 3.1Å; F858-M894 HydrophobicContact CE1-CB 4.38Å; F858-A898 HydrophobicContact CD1-CB 3.57Å; F858-A898 HydrophobicContact CE1-CB 3.34Å; F858-A898 HydrophobicContact CZ-CB 4.47Å; F858-L902 HydrophobicContact CB-CD1 3.77Å; F858-L902 HydrophobicContact CD1-CD1 4.19Å; F858-L902 HydrophobicContact CG-CD1 4.14Å; F858-Q983 HydrophobicContact CE2-CB 4.22Å; F858-Q983 VanDerWaalsContact CE2-O 3.3Å; F858-Q983 WeakPolarHBondContact CE2-O 3.3Å; F858-Q983 HydrophobicContact CZ-CB 4.14Å; F858-N986 HydrophobicContact CE2-CB 4.34Å; F858-E987 HydrophobicContact CD1-CG 4.3Å; F858-E987 HydrophobicContact CD2-CB 4.14Å; F858-E987 HydrophobicContact CD2-CG 4.32Å; F858-E987 HydrophobicContact CE1-CG 4.1Å; F858-E987 HydrophobicContact CE2-CB 3.76Å; F858-E987 HydrophobicContact CE2-CG 4.16Å; F858-E987 HydrophobicContact CG-CG 4.39Å; F858-E987 HydrophobicContact CZ-CB 3.95Å; F858-E987 HydrophobicContact CZ-CG 4.03Å; F858-A990 HydrophobicContact CB-CB 3.73Å; F858-A990 HydrophobicContact CD2-CB 4.36Å; F858-A990 HydrophobicContact CG-CB 4.43Å
859	Q	91.8	Very high	91.1	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	6%	0.055	C	C	.	.	H	α-helix	trans	-54.3	-49.2	-174.1	-174.9	63.3	-26.6	0	0	111.8	P432 F855 T861 V862 N863 M894 D895	P432-Q859 HydrophobicContact CB-CG 4.15Å; F855-Q859 HydrophobicContact CE2-CB 4.04Å; F855-Q859 HydrophobicContact CE2-CG 4.33Å; F855-Q859 HydrophobicContact CZ-CB 4.05Å; F855-Q859 HydrophobicContact CZ-CG 3.97Å; F855-Q859 WeakPolarHBondContact O-CB 3.19Å; F855-Q859 PolarHBondContact O-N 2.96Å; Q859-T861 VanDerWaalsContact C-N 3.27Å; Q859-T861 PolarHBondContact O-N 3.44Å; Q859-V862 PolarHBondContact O-N 3.24Å; Q859-V862 VanDerWaalsContact O-N 3.07Å; Q859-N863 PolarHBondContact O-N 2.98Å; Q859-N863 PolarHBondContact O-OD1 3.11Å; Q859-M894 VanDerWaalsContact OE1-C 3.3Å; Q859-M894 VanDerWaalsContact OE1-CB 3.22Å; Q859-M894 PolarHBondContact OE1-O 3.17Å; Q859-D895 VanDerWaalsContact NE2-CB 3.26Å; Q859-D895 VanDerWaalsContact NE2-CG 3.35Å; Q859-D895 PolarHBondContact NE2-OD1 2.79Å
860	L	91	Very high	91	Very high	17 Å²	17	9.5 Å²	9.5	9%	0.089	5%	0.052	C	C	.	.	H	α-helix	trans	-65.8	-26.4	178.5	-62.7	173	0	0	0	113.6	I373 L856 F858 V864 I924 M928 I932	I373-L860 HydrophobicContact CD1-CD2 3.49Å; I373-L860 VanDerWaalsContact CD1-CD2 3.49Å; L856-L860 HydrophobicContact CB-CD1 4.44Å; L856-L860 WeakPolarHBondContact O-CB 3.47Å; L856-L860 WeakPolarHBondContact O-CD1 3.39Å; L856-L860 WeakPolarHBondContact O-CG 3.43Å; L856-L860 PolarHBondContact O-N 3.45Å; F858-L860 PolarHBondContact O-N 3.12Å; L860-V864 WeakPolarHBondContact O-CB 3.16Å; L860-V864 WeakPolarHBondContact O-CG2 3.47Å; L860-V864 PolarHBondContact O-N 3.08Å; L860-I924 HydrophobicContact CD1-CD1 3.53Å; L860-I924 HydrophobicContact CD1-CG1 4.23Å; L860-M928 HydrophobicContact CD1-CE 4.4Å; L860-I932 HydrophobicContact CB-CD1 3.98Å; L860-I932 HydrophobicContact CB-CG1 4.49Å; L860-I932 HydrophobicContact CD1-CD1 4.12Å
861	T	93.9	Very high	90.9	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-68.8	-44.8	171.6	-54.1	0	0	0	0	110.3	Q857 F858 Q859 V865 H935	Q857-T861 PolarHBondContact O-N 3.42Å; Q857-T861 PolarHBondContact O-OG1 3.08Å; F858-T861 WeakPolarHBondContact O-CA 3.23Å; F858-T861 WeakPolarHBondContact O-CB 3.26Å; F858-T861 PolarHBondContact O-N 3.18Å; Q859-T861 VanDerWaalsContact C-N 3.27Å; Q859-T861 PolarHBondContact O-N 3.44Å; T861-V865 WeakPolarHBondContact O-CG2 3.34Å; T861-V865 PolarHBondContact O-N 2.84Å; T861-V865 VanDerWaalsContact O-N 3.15Å; T861-H935 HydrophobicContact CG2-CB 3.84Å
862	V	93	Very high	90.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.7	-48.6	179	-167.7	0	0	0	0	111.1	F858 Q859 V864 V865 A866 V890 M894 F979 Q983	F858-V862 HydrophobicContact CD2-CG2 4.39Å; F858-V862 HydrophobicContact CE1-CG2 4.35Å; F858-V862 HydrophobicContact CE2-CG2 4.06Å; F858-V862 HydrophobicContact CZ-CG2 4.06Å; F858-V862 PolarHBondContact O-N 3.39Å; F858-V862 VanDerWaalsContact O-N 3.1Å; Q859-V862 PolarHBondContact O-N 3.24Å; Q859-V862 VanDerWaalsContact O-N 3.07Å; V862-V864 PolarHBondContact O-N 2.7Å; V862-V865 PolarHBondContact O-N 2.81Å; V862-A866 VanDerWaalsContact O-CB 3.25Å; V862-A866 WeakPolarHBondContact O-CB 3.37Å; V862-A866 PolarHBondContact O-N 2.79Å; V862-V890 HydrophobicContact CG1-CG1 4.1Å; V862-M894 HydrophobicContact CB-CB 4.19Å; V862-M894 HydrophobicContact CB-CE 3.85Å; V862-M894 HydrophobicContact CB-SD 4.11Å; V862-M894 HydrophobicContact CG1-CB 4.06Å; V862-M894 HydrophobicContact CG1-CE 3.83Å; V862-M894 HydrophobicContact CG1-CG 4.41Å; V862-M894 HydrophobicContact CG1-SD 3.5Å; V862-M894 WeakPolarHBondContact CG1-SD 3.27Å; V862-M894 HydrophobicContact CG2-CB 4.13Å; V862-F979 HydrophobicContact CG1-CZ 4.23Å; V862-Q983 HydrophobicContact CG1-CG 4.29Å; V862-Q983 HydrophobicContact CG2-CG 4.18Å
863	N	90.4	Very high	90.6	Very high	9 Å²	9	13.1 Å²	13.1	5%	0.048	7%	0.07	C	C	.	.	H	α-helix	trans	-53.7	-49.6	176	-72.2	58.4	0	0	0	111.6	V429 A430 Q859 V865 V867 M894	V429-N863 PolarHBondContact O-ND2 3.3Å; V429-N863 VanDerWaalsContact O-ND2 3.13Å; A430-N863 PolarHBondContact O-ND2 3.41Å; Q859-N863 PolarHBondContact O-N 2.98Å; Q859-N863 PolarHBondContact O-OD1 3.11Å; N863-V865 PolarHBondContact O-N 2.94Å; N863-V867 WeakPolarHBondContact O-CB 3.49Å; N863-V867 VanDerWaalsContact O-CG2 3.25Å; N863-V867 WeakPolarHBondContact O-CG2 3.38Å; N863-V867 PolarHBondContact O-N 2.87Å; N863-M894 WeakPolarHBondContact OD1-CE 3.38Å
864	V	92.3	Very high	90.3	Very high	51 Å²	51	13 Å²	13	31%	0.309	7%	0.07	S	C	.	.	H	α-helix	trans	-61.6	-45	-177.2	166.1	0	0	0	0	111.3	L860 V862 I868 A936	L860-V864 WeakPolarHBondContact O-CB 3.16Å; L860-V864 WeakPolarHBondContact O-CG2 3.47Å; L860-V864 PolarHBondContact O-N 3.08Å; V862-V864 PolarHBondContact O-N 2.7Å; V864-I868 HydrophobicContact CG1-CD1 3.87Å; V864-I868 WeakPolarHBondContact O-CB 3.35Å; V864-I868 WeakPolarHBondContact O-CD1 3.42Å; V864-I868 WeakPolarHBondContact O-CG1 3.45Å; V864-I868 PolarHBondContact O-N 3.1Å; V864-A936 HydrophobicContact CG1-CB 4.01Å
865	V	94.2	Very high	89.9	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-73.2	-45.7	-178.5	-179.7	0	0	0	0	111	T861 V862 N863 V867 I868 V869 A936 Q939 L940 F979	T861-V865 WeakPolarHBondContact O-CG2 3.34Å; T861-V865 PolarHBondContact O-N 2.84Å; T861-V865 VanDerWaalsContact O-N 3.15Å; V862-V865 PolarHBondContact O-N 2.81Å; N863-V865 PolarHBondContact O-N 2.94Å; V865-V867 PolarHBondContact O-N 3.21Å; V865-I868 PolarHBondContact O-N 3.41Å; V865-V869 HydrophobicContact CG1-CG2 3.97Å; V865-V869 WeakPolarHBondContact O-CB 3.5Å; V865-V869 VanDerWaalsContact O-CG2 3.23Å; V865-V869 WeakPolarHBondContact O-CG2 3.46Å; V865-V869 PolarHBondContact O-N 2.82Å; V865-A936 VanDerWaalsContact CG2-CA 3.46Å; V865-A936 HydrophobicContact CG2-CB 3.58Å; V865-Q939 HydrophobicContact CG1-CB 3.86Å; V865-Q939 HydrophobicContact CG2-CB 3.96Å; V865-L940 HydrophobicContact CG1-CD2 3.99Å; V865-L940 HydrophobicContact CG1-CG 4.23Å; V865-L940 HydrophobicContact CG2-CG 4.39Å; V865-F979 HydrophobicContact CB-CE2 4.38Å; V865-F979 HydrophobicContact CG1-CD2 4.48Å; V865-F979 HydrophobicContact CG1-CE2 3.79Å
866	A	90.8	Very high	89.6	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-43.5	-179.1	0	0	0	0	0	112.4	V429 V862 V869 A870 F979	V429-A866 HydrophobicContact CG1-CB 3.56Å; V862-A866 VanDerWaalsContact O-CB 3.25Å; V862-A866 WeakPolarHBondContact O-CB 3.37Å; V862-A866 PolarHBondContact O-N 2.79Å; A866-V869 PolarHBondContact O-N 2.8Å; A866-A870 VanDerWaalsContact O-CB 3.29Å; A866-A870 WeakPolarHBondContact O-CB 3.33Å; A866-A870 PolarHBondContact O-N 3.12Å; A866-F979 HydrophobicContact CB-CZ 4.18Å
867	V	90.4	Very high	88.9	Confident	19 Å²	19	18.3 Å²	18.3	12%	0.115	10%	0.101	C	C	.	.	H	α-helix	trans	-65.6	-41.9	177.1	172.8	0	0	0	0	111.4	M380 A430 N863 V865 F871	M380-V867 HydrophobicContact CB-CG1 4.22Å; M380-V867 HydrophobicContact CG-CG1 4.33Å; A430-V867 HydrophobicContact CB-CG2 3.75Å; N863-V867 WeakPolarHBondContact O-CB 3.49Å; N863-V867 VanDerWaalsContact O-CG2 3.25Å; N863-V867 WeakPolarHBondContact O-CG2 3.38Å; N863-V867 PolarHBondContact O-N 2.87Å; V865-V867 PolarHBondContact O-N 3.21Å; V867-F871 WeakPolarHBondContact O-CB 3.4Å; V867-F871 PolarHBondContact O-N 2.75Å
868	I	92.2	Very high	88.1	Confident	60 Å²	60	21 Å²	21	31%	0.308	11%	0.113	S	C	.	.	H	α-helix	trans	-69	-41.7	178	-67.4	169.3	0	0	0	111.2	V864 V865 F871 T872 L940 F944	V864-I868 HydrophobicContact CG1-CD1 3.87Å; V864-I868 WeakPolarHBondContact O-CB 3.35Å; V864-I868 WeakPolarHBondContact O-CD1 3.42Å; V864-I868 WeakPolarHBondContact O-CG1 3.45Å; V864-I868 PolarHBondContact O-N 3.1Å; V865-I868 PolarHBondContact O-N 3.41Å; I868-F871 PolarHBondContact O-N 3.31Å; I868-T872 VanDerWaalsContact O-CB 3.27Å; I868-T872 WeakPolarHBondContact O-CB 3.42Å; I868-T872 PolarHBondContact O-N 2.88Å; I868-T872 PolarHBondContact O-OG1 3.29Å; I868-L940 HydrophobicContact CB-CD1 4.46Å; I868-L940 HydrophobicContact CB-CD2 3.92Å; I868-L940 HydrophobicContact CD1-CD1 4.03Å; I868-L940 HydrophobicContact CG2-CD1 4.03Å; I868-L940 HydrophobicContact CG2-CD2 3.55Å; I868-L940 HydrophobicContact CG2-CG 4.46Å; I868-F944 HydrophobicContact CG2-CE2 4.44Å; I868-F944 HydrophobicContact CG2-CZ 4.12Å
869	V	90.7	Very high	87.2	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-47	177	168.2	0	0	0	0	111.1	V865 A866 G873 P881 L882 L940 V943 F944	V865-V869 HydrophobicContact CG1-CG2 3.97Å; V865-V869 WeakPolarHBondContact O-CB 3.5Å; V865-V869 VanDerWaalsContact O-CG2 3.23Å; V865-V869 WeakPolarHBondContact O-CG2 3.46Å; V865-V869 PolarHBondContact O-N 2.82Å; A866-V869 PolarHBondContact O-N 2.8Å; V869-G873 PolarHBondContact O-N 3.04Å; V869-P881 HydrophobicContact CG1-CG 3.73Å; V869-L882 HydrophobicContact CG1-CD1 4.47Å; V869-L940 HydrophobicContact CG2-CD2 3.78Å; V869-V943 HydrophobicContact CB-CG1 4.45Å; V869-V943 HydrophobicContact CG1-CG1 3.85Å; V869-V943 HydrophobicContact CG2-CB 4.24Å; V869-V943 HydrophobicContact CG2-CG1 3.65Å; V869-F944 HydrophobicContact CG2-CE1 4.44Å
870	A	85.9	Confident	86.7	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-43.3	178.2	0	0	0	0	0	112.1	V426 A866 A874 M887	V426-A870 HydrophobicContact CG2-CB 3.71Å; A866-A870 VanDerWaalsContact O-CB 3.29Å; A866-A870 WeakPolarHBondContact O-CB 3.33Å; A866-A870 PolarHBondContact O-N 3.12Å; A870-A874 WeakPolarHBondContact O-CB 3.46Å; A870-A874 PolarHBondContact O-N 3.39Å; A870-M887 HydrophobicContact CB-CE 4.31Å
871	F	87.3	Confident	86.3	Confident	52 Å²	52	21.2 Å²	21.2	23%	0.228	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-53.7	176.8	173.6	-104.2	0	0	0	112.3	M380 I383 I387 V867 I868 G873 A874 C875	M380-F871 HydrophobicContact CE-CB 4.04Å; M380-F871 HydrophobicContact CE-CD1 3.97Å; M380-F871 HydrophobicContact CE-CD2 3.54Å; M380-F871 HydrophobicContact CE-CE1 4.33Å; M380-F871 HydrophobicContact CE-CE2 3.93Å; M380-F871 HydrophobicContact CE-CG 3.56Å; M380-F871 HydrophobicContact CE-CZ 4.31Å; I383-F871 HydrophobicContact CG2-CE2 4.01Å; I387-F871 HydrophobicContact CD1-CE2 3.94Å; I387-F871 HydrophobicContact CD1-CZ 4.27Å; V867-F871 WeakPolarHBondContact O-CB 3.4Å; V867-F871 PolarHBondContact O-N 2.75Å; I868-F871 PolarHBondContact O-N 3.31Å; F871-G873 VanDerWaalsContact C-N 3.35Å; F871-G873 PolarHBondContact O-N 3.06Å; F871-A874 PolarHBondContact O-N 3.36Å; F871-C875 WeakPolarHBondContact O-CB 3.45Å; F871-C875 PolarHBondContact O-N 3.06Å; F871-C875 PolarHBondContact O-SG 3.34Å
872	T	88.1	Confident	85.9	Confident	34 Å²	34	21.3 Å²	21.3	21%	0.209	12%	0.115	C	C	.	.	H	α-helix	trans	-68	-34.4	-178.4	-63.7	0	0	0	0	111.9	I868 I876 F944	I868-T872 VanDerWaalsContact O-CB 3.27Å; I868-T872 WeakPolarHBondContact O-CB 3.42Å; I868-T872 PolarHBondContact O-N 2.88Å; I868-T872 PolarHBondContact O-OG1 3.29Å; T872-I876 HydrophobicContact CG2-CD1 3.73Å; T872-I876 WeakPolarHBondContact O-CB 3.34Å; T872-I876 WeakPolarHBondContact O-CG1 3.36Å; T872-I876 PolarHBondContact O-N 3.33Å; T872-F944 HydrophobicContact CG2-CE1 3.73Å; T872-F944 HydrophobicContact CG2-CE2 4.44Å; T872-F944 HydrophobicContact CG2-CZ 3.64Å
873	G	83.4	Confident	85.5	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-57.8	169.6	0	0	0	0	0	111.7	V869 F871 C875 I876 T877 D879	V869-G873 PolarHBondContact O-N 3.04Å; F871-G873 VanDerWaalsContact C-N 3.35Å; F871-G873 PolarHBondContact O-N 3.06Å; G873-C875 PolarHBondContact O-N 3.3Å; G873-C875 VanDerWaalsContact O-N 3.15Å; G873-I876 PolarHBondContact O-N 2.92Å; G873-T877 PolarHBondContact O-N 2.87Å; G873-T877 PolarHBondContact O-OG1 3.29Å; G873-D879 CarbonylContact C-O 3.59Å
874	A	81.8	Confident	84.9	Confident	4 Å²	4	23.1 Å²	23.1	3%	0.033	12%	0.124	C	C	.	.	H	α-helix	trans	-53.6	-38.2	178.6	0	0	0	0	0	113.3	T384 L388 A870 F871 I876 Q878 D879	T384-A874 HydrophobicContact CG2-CB 3.66Å; L388-A874 HydrophobicContact CD1-CB 4.09Å; L388-A874 HydrophobicContact CD2-CB 3.99Å; L388-A874 WeakPolarHBondContact CD2-O 3.43Å; L388-A874 HydrophobicContact CG-CB 4.14Å; A870-A874 WeakPolarHBondContact O-CB 3.46Å; A870-A874 PolarHBondContact O-N 3.39Å; F871-A874 PolarHBondContact O-N 3.36Å; A874-I876 VanDerWaalsContact C-N 3.33Å; A874-I876 PolarHBondContact O-N 3.41Å; A874-Q878 PolarHBondContact O-N 2.91Å; A874-D879 PolarHBondContact N-O 3.05Å
875	C	83.2	Confident	84.5	Confident	38 Å²	38	21 Å²	21	26%	0.257	11%	0.112	S	C	.	.	H	α-helix	trans	-72.5	-16.9	178.3	-65.8	0	0	0	0	115.1	F871 G873	F871-C875 WeakPolarHBondContact O-CB 3.45Å; F871-C875 PolarHBondContact O-N 3.06Å; F871-C875 PolarHBondContact O-SG 3.34Å; G873-C875 PolarHBondContact O-N 3.3Å; G873-C875 VanDerWaalsContact O-N 3.15Å
876	I	84.4	Confident	84.2	Confident	90 Å²	90	21.2 Å²	21.2	46%	0.462	11%	0.112	S	C	.	.	H	α-helix	trans	-119.2	-37.1	-172.3	-62.6	174.1	0	0	0	112.4	T872 G873 A874 F948	T872-I876 HydrophobicContact CG2-CD1 3.73Å; T872-I876 WeakPolarHBondContact O-CB 3.34Å; T872-I876 WeakPolarHBondContact O-CG1 3.36Å; T872-I876 PolarHBondContact O-N 3.33Å; G873-I876 PolarHBondContact O-N 2.92Å; A874-I876 VanDerWaalsContact C-N 3.33Å; A874-I876 PolarHBondContact O-N 3.41Å; I876-F948 HydrophobicContact CB-CE1 4.45Å; I876-F948 HydrophobicContact CB-CZ 4.37Å; I876-F948 HydrophobicContact CD1-CZ 3.87Å; I876-F948 HydrophobicContact CG2-CE1 3.71Å; I876-F948 HydrophobicContact CG2-CZ 4.02Å
877	T	76	Confident	83.8	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-113.4	13.8	-175.8	48.9	0	0	0	0	113.8	G873 D879 F948 R960	G873-T877 PolarHBondContact O-N 2.87Å; G873-T877 PolarHBondContact O-OG1 3.29Å; T877-D879 PolarHBondContact O-N 3.24Å; T877-D879 PolarHBondContact OG1-O 3.26Å; T877-F948 HydrophobicContact CG2-CE1 4.47Å; T877-R960 HydrophobicContact CG2-CB 4.2Å; T877-R960 HydrophobicContact CG2-CG 4.2Å
878	Q	75.8	Confident	83.5	Confident	61 Å²	61	20.9 Å²	20.9	29%	0.285	11%	0.11	S	C	.	.	S	Bend	trans	56.4	6.9	-178.5	-57	177.6	-84.6	0	0	115.7	L388 Y391 A874	L388-Q878 WeakPolarHBondContact CD2-O 3.34Å; Y391-Q878 HydrophobicContact CD1-CG 3.87Å; Y391-Q878 HydrophobicContact CE1-CG 3.7Å; A874-Q878 PolarHBondContact O-N 2.91Å
879	D	75.2	Confident	83.3	Confident	17 Å²	17	19.5 Å²	19.5	9%	0.091	10%	0.101	C	C	.	.	S	Bend	trans	-155.7	156.4	-172	-159.4	-18.4	0	0	0	108.7	K418 G873 A874 T877 K883	K418-D879 WeakPolarHBondContact CE-OD2 3.35Å; K418-D879 IonicContact NZ-OD2 2.7Å; K418-D879 PolarHBondContact NZ-OD2 3.1Å; G873-D879 CarbonylContact C-O 3.59Å; A874-D879 PolarHBondContact N-O 3.05Å; T877-D879 PolarHBondContact O-N 3.24Å; T877-D879 PolarHBondContact OG1-O 3.26Å; D879-K883 IonicContact OD1-NZ 2.67Å; D879-K883 PolarHBondContact OD1-NZ 3.42Å; D879-K883 IonicContact OD2-NZ 2.74Å; D879-K883 PolarHBondContact OD2-NZ 3.36Å
880	S	81.4	Confident	83.2	Confident	6 Å²	6	19.7 Å²	19.7	4%	0.042	10%	0.102	C	C	.	.			trans	-81	135.4	173.7	176.3	0	0	0	0	110	L882	S880-L882 WeakPolarHBondContact CB-O 3.39Å; S880-L882 PolarHBondContact O-N 3.47Å; S880-L882 PolarHBondContact OG-N 2.64Å; S880-L882 PolarHBondContact OG-O 3.24Å
881	P	82.8	Confident	83.1	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-70.4	-13.3	173.6	31.6	-37.2	0	0	0	112.9	V869 L947 Y972	V869-P881 HydrophobicContact CG1-CG 3.73Å; P881-L947 HydrophobicContact CB-CD1 3.71Å; P881-L947 HydrophobicContact CB-CD2 4.32Å; P881-L947 HydrophobicContact CG-CD1 4.42Å; P881-L947 HydrophobicContact CG-CD2 4.13Å; P881-Y972 HydrophobicContact CB-CE1 4.46Å
882	L	85.6	Confident	82.9	Confident	4 Å²	4	18.7 Å²	18.7	2%	0.021	10%	0.099	C	C	.	.	S	Bend	trans	-112.9	122.9	172.2	-59.4	177.3	0	0	0	109	V869 S880 M887 F976 F979	V869-L882 HydrophobicContact CG1-CD1 4.47Å; S880-L882 WeakPolarHBondContact CB-O 3.39Å; S880-L882 PolarHBondContact O-N 3.47Å; S880-L882 PolarHBondContact OG-N 2.64Å; S880-L882 PolarHBondContact OG-O 3.24Å; L882-M887 HydrophobicContact CB-CG 3.81Å; L882-M887 HydrophobicContact CB-SD 3.71Å; L882-M887 HydrophobicContact CD1-SD 3.71Å; L882-M887 HydrophobicContact CG-SD 4.37Å; L882-F976 HydrophobicContact CD2-CB 4.02Å; L882-F976 HydrophobicContact CD2-CD2 4.22Å; L882-F979 HydrophobicContact CD1-CD1 4.18Å; L882-F979 HydrophobicContact CD1-CE1 4.2Å
883	K	82.9	Confident	82.9	Confident	38 Å²	38	17.4 Å²	17.4	17%	0.165	9%	0.091	C	C	.	.			trans	-81.6	161.9	-177.2	-62.9	-62.1	179.7	-179.9	0	112.6	D879 V885 Q886 M887	D879-K883 IonicContact OD1-NZ 2.67Å; D879-K883 PolarHBondContact OD1-NZ 3.42Å; D879-K883 IonicContact OD2-NZ 2.74Å; D879-K883 PolarHBondContact OD2-NZ 3.36Å; K883-V885 VanDerWaalsContact C-N 3.35Å; K883-V885 PolarHBondContact O-N 2.96Å; K883-Q886 HydrophobicContact CB-CG 4.43Å; K883-Q886 WeakPolarHBondContact O-CB 3.4Å; K883-Q886 PolarHBondContact O-N 3.19Å; K883-M887 WeakPolarHBondContact O-CG 3.06Å; K883-M887 PolarHBondContact O-N 2.95Å
884	A	79.1	Confident	83	Confident	8 Å²	8	17.6 Å²	17.6	7%	0.066	9%	0.092	C	C	.	.	H	α-helix	trans	-53.8	-47.1	-173.7	0	0	0	0	0	113.1	I159 I421 Q886 M887 L888	I159-A884 HydrophobicContact CD1-CB 3.88Å; I159-A884 HydrophobicContact CG1-CB 4.02Å; I421-A884 HydrophobicContact CG2-CB 4.26Å; A884-Q886 PolarHBondContact O-N 3.01Å; A884-M887 PolarHBondContact O-N 3.14Å; A884-L888 WeakPolarHBondContact O-CG 3.49Å; A884-L888 PolarHBondContact O-N 3.38Å
885	V	83.2	Confident	83.1	Confident	8 Å²	8	17.6 Å²	17.6	5%	0.048	9%	0.091	C	C	.	.	H	α-helix	trans	-62.5	-41.9	177	179.6	0	0	0	0	112	A158 I159 K883 M887 L888 W889 F1031	A158-V885 HydrophobicContact CB-CG2 3.69Å; I159-V885 HydrophobicContact CG1-CG2 4.2Å; K883-V885 VanDerWaalsContact C-N 3.35Å; K883-V885 PolarHBondContact O-N 2.96Å; V885-M887 VanDerWaalsContact C-N 3.34Å; V885-M887 PolarHBondContact O-N 2.87Å; V885-L888 PolarHBondContact O-N 3.39Å; V885-W889 PolarHBondContact O-N 3.29Å; V885-F1031 HydrophobicContact CG1-CD1 3.65Å; V885-F1031 HydrophobicContact CG1-CE1 3.83Å; V885-F1031 HydrophobicContact CG1-CG 4.3Å
886	Q	87.9	Confident	83.1	Confident	3 Å²	3	16.2 Å²	16.2	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-65.2	-37.7	176.9	-64.4	168.9	-12.3	0	0	111.6	K883 A884 W889 V890 F976 F1031 S1032	K883-Q886 HydrophobicContact CB-CG 4.43Å; K883-Q886 WeakPolarHBondContact O-CB 3.4Å; K883-Q886 PolarHBondContact O-N 3.19Å; A884-Q886 PolarHBondContact O-N 3.01Å; Q886-W889 PolarHBondContact O-N 3.39Å; Q886-V890 WeakPolarHBondContact O-CG2 3.3Å; Q886-V890 PolarHBondContact O-N 3.28Å; Q886-F976 HydrophobicContact CB-CD2 3.87Å; Q886-F976 HydrophobicContact CB-CE2 3.74Å; Q886-F976 HydrophobicContact CB-CZ 4.38Å; Q886-F976 HydrophobicContact CG-CD2 4.06Å; Q886-F976 HydrophobicContact CG-CE1 4.49Å; Q886-F976 HydrophobicContact CG-CE2 3.99Å; Q886-F976 HydrophobicContact CG-CG 4.33Å; Q886-F976 HydrophobicContact CG-CZ 4.22Å; Q886-F1031 WeakPolarHBondContact CG-O 3.33Å; Q886-F1031 PolarHBondContact NE2-O 3.11Å; Q886-S1032 PolarHBondContact NE2-O 3.17Å; Q886-S1032 VanDerWaalsContact NE2-O 3.16Å
887	M	83.7	Confident	83.2	Confident	2 Å²	2	13.6 Å²	13.6	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-70.6	-34.9	176.8	-71.8	-74.8	-89.1	0	0	112.3	T425 V429 A870 L882 K883 A884 V885 V890 N891	T425-M887 HydrophobicContact CG2-CB 3.4Å; T425-M887 VanDerWaalsContact CG2-CB 3.4Å; T425-M887 HydrophobicContact CG2-CE 4.21Å; T425-M887 HydrophobicContact CG2-CG 3.62Å; V429-M887 HydrophobicContact CB-CE 3.93Å; V429-M887 HydrophobicContact CG1-CE 4.14Å; V429-M887 HydrophobicContact CG2-CB 4Å; V429-M887 HydrophobicContact CG2-CE 3.73Å; V429-M887 HydrophobicContact CG2-SD 4.23Å; A870-M887 HydrophobicContact CB-CE 4.31Å; L882-M887 HydrophobicContact CB-CG 3.81Å; L882-M887 HydrophobicContact CB-SD 3.71Å; L882-M887 HydrophobicContact CD1-SD 3.71Å; L882-M887 HydrophobicContact CG-SD 4.37Å; K883-M887 WeakPolarHBondContact O-CG 3.06Å; K883-M887 PolarHBondContact O-N 2.95Å; A884-M887 PolarHBondContact O-N 3.14Å; V885-M887 VanDerWaalsContact C-N 3.34Å; V885-M887 PolarHBondContact O-N 2.87Å; M887-V890 PolarHBondContact O-N 2.71Å; M887-N891 WeakPolarHBondContact O-CB 3.45Å; M887-N891 PolarHBondContact O-N 2.85Å
888	L	82.1	Confident	83.7	Confident	10 Å²	10	13.5 Å²	13.5	5%	0.052	7%	0.068	C	C	.	.	H	α-helix	trans	-66.4	-39.6	170.4	-69.8	174.2	0	0	0	112.2	L114 V163 V428 A884 V885 N891 L892	L114-L888 HydrophobicContact CD2-CD1 4.17Å; L114-L888 HydrophobicContact CD2-CD2 3.91Å; V163-L888 HydrophobicContact CG2-CD1 4.48Å; V428-L888 HydrophobicContact CG1-CD2 4.15Å; A884-L888 WeakPolarHBondContact O-CG 3.49Å; A884-L888 PolarHBondContact O-N 3.38Å; V885-L888 PolarHBondContact O-N 3.39Å; L888-N891 WeakPolarHBondContact O-CB 3.43Å; L888-N891 PolarHBondContact O-N 2.92Å; L888-L892 PolarHBondContact O-N 3.27Å
889	W	88.8	Confident	84.2	Confident	31 Å²	31	10.6 Å²	10.6	12%	0.117	5%	0.054	C	C	.	.	H	α-helix	trans	-62.9	-44.5	172.5	171.4	-119.1	0	0	0	112	V885 Q886 N891 L892 I893 F976 T1016 V1019 I1023	V885-W889 PolarHBondContact O-N 3.29Å; Q886-W889 PolarHBondContact O-N 3.39Å; W889-N891 VanDerWaalsContact C-N 3.34Å; W889-N891 PolarHBondContact O-N 3.24Å; W889-L892 HydrophobicContact CE3-CD2 4.21Å; W889-L892 HydrophobicContact CZ3-CD2 4.17Å; W889-L892 PolarHBondContact O-N 2.85Å; W889-I893 HydrophobicContact CD2-CD1 4.14Å; W889-I893 HydrophobicContact CD2-CG1 4.35Å; W889-I893 HydrophobicContact CG-CD1 4.49Å; W889-I893 HydrophobicContact CH2-CD1 4.45Å; W889-I893 HydrophobicContact CH2-CG1 4.31Å; W889-I893 HydrophobicContact CZ2-CD1 3.77Å; W889-I893 HydrophobicContact CZ2-CG1 4.12Å; W889-I893 WeakPolarHBondContact O-CG1 3.46Å; W889-I893 PolarHBondContact O-N 3.14Å; W889-I893 VanDerWaalsContact O-N 3.09Å; W889-F976 AromaticContact CD1-CZ 3.72Å; W889-T1016 HydrophobicContact CH2-CG2 4.29Å; W889-T1016 HydrophobicContact CZ2-CG2 4.02Å; W889-V1019 HydrophobicContact CH2-CB 3.92Å; W889-V1019 HydrophobicContact CH2-CG1 3.35Å; W889-V1019 HydrophobicContact CZ2-CB 4.18Å; W889-V1019 HydrophobicContact CZ2-CG1 3.71Å; W889-V1019 HydrophobicContact CZ3-CG1 4.08Å; W889-I1023 HydrophobicContact CD2-CD1 3.69Å; W889-I1023 VanDerWaalsContact CE2-CD1 3.44Å; W889-I1023 HydrophobicContact CE3-CD1 4.16Å; W889-I1023 HydrophobicContact CG-CD1 4.14Å; W889-I1023 HydrophobicContact CH2-CD1 4.25Å; W889-I1023 HydrophobicContact CZ2-CD1 3.76Å; W889-I1023 HydrophobicContact CZ3-CD1 4.42Å
890	V	88.1	Confident	84.7	Confident	5 Å²	5	12.3 Å²	12.3	3%	0.03	6%	0.063	C	C	.	.	H	α-helix	trans	-57.1	-45.8	172.2	164	0	0	0	0	111.2	V862 Q886 M887 L892 I893 M894 F979 V980	V862-V890 HydrophobicContact CG1-CG1 4.1Å; Q886-V890 WeakPolarHBondContact O-CG2 3.3Å; Q886-V890 PolarHBondContact O-N 3.28Å; M887-V890 PolarHBondContact O-N 2.71Å; V890-L892 PolarHBondContact O-N 3.23Å; V890-I893 PolarHBondContact O-N 3.45Å; V890-M894 HydrophobicContact CG1-SD 3.7Å; V890-M894 WeakPolarHBondContact O-CB 3.36Å; V890-M894 WeakPolarHBondContact O-CG 3.33Å; V890-M894 PolarHBondContact O-N 3.3Å; V890-F979 HydrophobicContact CG1-CE1 3.93Å; V890-F979 HydrophobicContact CG2-CD1 4.18Å; V890-F979 HydrophobicContact CG2-CE1 3.86Å; V890-V980 HydrophobicContact CG2-CG2 4.15Å
891	N	83.8	Confident	85	Confident	11 Å²	11	12 Å²	12	6%	0.059	6%	0.061	C	C	.	.	H	α-helix	trans	-58	-47.1	176.5	-167.9	8.3	0	0	0	111.8	V428 M887 L888 W889 I893 M894 D895	V428-N891 WeakPolarHBondContact CG1-ND2 3.17Å; M887-N891 WeakPolarHBondContact O-CB 3.45Å; M887-N891 PolarHBondContact O-N 2.85Å; L888-N891 WeakPolarHBondContact O-CB 3.43Å; L888-N891 PolarHBondContact O-N 2.92Å; W889-N891 VanDerWaalsContact C-N 3.34Å; W889-N891 PolarHBondContact O-N 3.24Å; N891-I893 VanDerWaalsContact C-N 3.33Å; N891-I893 PolarHBondContact O-N 2.89Å; N891-M894 WeakPolarHBondContact O-CG 3.49Å; N891-M894 PolarHBondContact O-N 3.33Å; N891-D895 WeakPolarHBondContact O-CB 3.32Å; N891-D895 PolarHBondContact O-N 3.26Å
892	L	84.1	Confident	85.3	Confident	20 Å²	20	12 Å²	12	11%	0.105	6%	0.061	C	C	.	.	I	π-helix	trans	-59.4	-41.7	178.9	-171.5	66.3	0	0	0	112.5	V166 V169 L888 W889 V890 T896 L897	V166-L892 HydrophobicContact CG2-CD1 4.45Å; V169-L892 HydrophobicContact CB-CD1 4.17Å; V169-L892 HydrophobicContact CG1-CD1 4.02Å; L888-L892 PolarHBondContact O-N 3.27Å; W889-L892 HydrophobicContact CE3-CD2 4.21Å; W889-L892 HydrophobicContact CZ3-CD2 4.17Å; W889-L892 PolarHBondContact O-N 2.85Å; V890-L892 PolarHBondContact O-N 3.23Å; L892-T896 PolarHBondContact O-N 2.97Å; L892-L897 WeakPolarHBondContact O-CG 3.44Å; L892-L897 PolarHBondContact O-N 2.98Å
893	I	87.6	Confident	85.3	Confident	7 Å²	7	11.9 Å²	11.9	4%	0.036	6%	0.06	C	C	.	.	I	π-helix	trans	-62.8	-58.3	173.9	-63.7	171	0	0	0	110.6	W889 V890 N891 D895 A898 V980 T1016	W889-I893 HydrophobicContact CD2-CD1 4.14Å; W889-I893 HydrophobicContact CD2-CG1 4.35Å; W889-I893 HydrophobicContact CG-CD1 4.49Å; W889-I893 HydrophobicContact CH2-CD1 4.45Å; W889-I893 HydrophobicContact CH2-CG1 4.31Å; W889-I893 HydrophobicContact CZ2-CD1 3.77Å; W889-I893 HydrophobicContact CZ2-CG1 4.12Å; W889-I893 WeakPolarHBondContact O-CG1 3.46Å; W889-I893 PolarHBondContact O-N 3.14Å; W889-I893 VanDerWaalsContact O-N 3.09Å; V890-I893 PolarHBondContact O-N 3.45Å; N891-I893 VanDerWaalsContact C-N 3.33Å; N891-I893 PolarHBondContact O-N 2.89Å; I893-D895 PolarHBondContact O-N 2.99Å; I893-A898 WeakPolarHBondContact O-CB 3.18Å; I893-A898 PolarHBondContact O-N 3.07Å; I893-V980 HydrophobicContact CD1-CG1 3.84Å; I893-T1016 HydrophobicContact CD1-CG2 3.52Å; I893-T1016 HydrophobicContact CG1-CG2 3.62Å; I893-T1016 HydrophobicContact CG2-CG2 4.21Å
894	M	86.2	Confident	85.5	Confident	3 Å²	3	10.1 Å²	10.1	2%	0.015	5%	0.053	C	C	.	.	I	π-helix	trans	-69.6	-34.8	-166	68.5	-165.7	-95.3	0	0	113.2	V429 F858 Q859 V862 N863 V890 N891	V429-M894 HydrophobicContact CG1-CE 4.31Å; V429-M894 HydrophobicContact CG1-SD 4.32Å; F858-M894 HydrophobicContact CE1-CB 4.38Å; Q859-M894 VanDerWaalsContact OE1-C 3.3Å; Q859-M894 VanDerWaalsContact OE1-CB 3.22Å; Q859-M894 PolarHBondContact OE1-O 3.17Å; V862-M894 HydrophobicContact CB-CB 4.19Å; V862-M894 HydrophobicContact CB-CE 3.85Å; V862-M894 HydrophobicContact CB-SD 4.11Å; V862-M894 HydrophobicContact CG1-CB 4.06Å; V862-M894 HydrophobicContact CG1-CE 3.83Å; V862-M894 HydrophobicContact CG1-CG 4.41Å; V862-M894 HydrophobicContact CG1-SD 3.5Å; V862-M894 WeakPolarHBondContact CG1-SD 3.27Å; V862-M894 HydrophobicContact CG2-CB 4.13Å; N863-M894 WeakPolarHBondContact OD1-CE 3.38Å; V890-M894 HydrophobicContact CG1-SD 3.7Å; V890-M894 WeakPolarHBondContact O-CB 3.36Å; V890-M894 WeakPolarHBondContact O-CG 3.33Å; V890-M894 PolarHBondContact O-N 3.3Å; N891-M894 WeakPolarHBondContact O-CG 3.49Å; N891-M894 PolarHBondContact O-N 3.33Å
895	D	83.2	Confident	85.8	Confident	5 Å²	5	10.4 Å²	10.4	3%	0.027	5%	0.053	C	C	.	.	I	π-helix	trans	-99.7	-61.2	-171.9	-165.1	52.8	0	0	0	112.1	G434 Q859 N891 I893 S899	G434-D895 WeakPolarHBondContact CA-OD1 3.44Å; G434-D895 WeakPolarHBondContact CA-OD2 3.41Å; G434-D895 VanDerWaalsContact N-CG 3.34Å; G434-D895 PolarHBondContact N-OD1 2.99Å; G434-D895 PolarHBondContact N-OD2 3.4Å; Q859-D895 VanDerWaalsContact NE2-CB 3.26Å; Q859-D895 VanDerWaalsContact NE2-CG 3.35Å; Q859-D895 PolarHBondContact NE2-OD1 2.79Å; N891-D895 WeakPolarHBondContact O-CB 3.32Å; N891-D895 PolarHBondContact O-N 3.26Å; I893-D895 PolarHBondContact O-N 2.99Å; D895-S899 WeakPolarHBondContact O-CB 3.36Å; D895-S899 PolarHBondContact O-N 2.95Å; D895-S899 PolarHBondContact O-OG 3.4Å
896	T	82.6	Confident	86	Confident	8 Å²	8	12 Å²	12	5%	0.049	6%	0.064	C	C	.	.	I	π-helix	trans	-82	-44	-173.4	-67.5	0	0	0	0	113.3	V169 L892 S899 L900	V169-T896 HydrophobicContact CG1-CG2 3.9Å; L892-T896 PolarHBondContact O-N 2.97Å; T896-S899 PolarHBondContact O-OG 2.66Å; T896-L900 PolarHBondContact O-N 3.21Å
897	L	86.9	Confident	86.1	Confident	36 Å²	36	13.2 Å²	13.2	19%	0.188	7%	0.072	C	C	.	.	I	π-helix	trans	-76.1	-46.9	-178.4	-61.7	179.5	0	0	0	111.8	L892 L900 A901 I1012	L892-L897 WeakPolarHBondContact O-CG 3.44Å; L892-L897 PolarHBondContact O-N 2.98Å; L897-L900 PolarHBondContact O-N 2.75Å; L897-A901 PolarHBondContact O-N 2.89Å; L897-I1012 HydrophobicContact CB-CG2 4.01Å; L897-I1012 HydrophobicContact CD2-CD1 4.14Å
898	A	87.4	Confident	86.3	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-74.6	-25.6	-179.3	0	0	0	0	0	113.8	F858 I893 A901 L902 E987	F858-A898 HydrophobicContact CD1-CB 3.57Å; F858-A898 HydrophobicContact CE1-CB 3.34Å; F858-A898 HydrophobicContact CZ-CB 4.47Å; I893-A898 WeakPolarHBondContact O-CB 3.18Å; I893-A898 PolarHBondContact O-N 3.07Å; A898-A901 PolarHBondContact O-N 3.35Å; A898-L902 VanDerWaalsContact O-CB 3.31Å; A898-L902 WeakPolarHBondContact O-CB 3.15Å; A898-L902 WeakPolarHBondContact O-CG 3.44Å; A898-L902 PolarHBondContact O-N 2.86Å; A898-E987 HydrophobicContact CB-CG 4.38Å
899	S	85.7	Confident	86.7	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-46.8	166.3	61.5	0	0	0	0	110.6	F855 D895 T896 A901 A903	F855-S899 VanDerWaalsContact CD2-CA 3.47Å; D895-S899 WeakPolarHBondContact O-CB 3.36Å; D895-S899 PolarHBondContact O-N 2.95Å; D895-S899 PolarHBondContact O-OG 3.4Å; T896-S899 PolarHBondContact O-OG 2.66Å; S899-A901 VanDerWaalsContact C-N 3.32Å; S899-A901 PolarHBondContact O-N 3.45Å; S899-A903 WeakPolarHBondContact O-CB 3.21Å; S899-A903 PolarHBondContact O-N 3.48Å
900	L	85	Confident	86.7	Confident	53 Å²	53	22.6 Å²	22.6	28%	0.277	13%	0.128	S	C	.	.	H	α-helix	trans	-61.9	-37	176	-178.7	61.9	0	0	0	112.6	I441 T896 L897 T904 I1008	I441-L900 HydrophobicContact CG2-CD1 3.95Å; T896-L900 PolarHBondContact O-N 3.21Å; L897-L900 PolarHBondContact O-N 2.75Å; L900-T904 HydrophobicContact CD1-CG2 4.25Å; L900-T904 WeakPolarHBondContact O-CG2 3.11Å; L900-T904 PolarHBondContact O-OG1 3.07Å; L900-I1008 HydrophobicContact CG-CG2 4.07Å
901	A	88.9	Confident	86.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-73.1	-47.5	-180	0	0	0	0	0	113.5	L897 A898 S899 T904 E987 N1006 F1009 I1012	L897-A901 PolarHBondContact O-N 2.89Å; A898-A901 PolarHBondContact O-N 3.35Å; S899-A901 VanDerWaalsContact C-N 3.32Å; S899-A901 PolarHBondContact O-N 3.45Å; A901-T904 PolarHBondContact O-OG1 3.1Å; A901-E987 VanDerWaalsContact CB-OE1 3.31Å; A901-E987 WeakPolarHBondContact CB-OE1 3.47Å; A901-N1006 PolarHBondContact O-ND2 3.21Å; A901-F1009 HydrophobicContact CB-CB 4.46Å; A901-F1009 HydrophobicContact CB-CD2 3.88Å; A901-I1012 HydrophobicContact CB-CB 4.07Å; A901-I1012 HydrophobicContact CB-CG1 4.28Å; A901-I1012 HydrophobicContact CB-CG2 4.01Å
902	L	89.5	Confident	87.2	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-83.3	-27.3	-174.9	-66.2	171.8	0	0	0	113.2	F855 F858 A898 T904 E987 A990 R991 F1009	F855-L902 HydrophobicContact CB-CB 4.29Å; F858-L902 HydrophobicContact CB-CD1 3.77Å; F858-L902 HydrophobicContact CD1-CD1 4.19Å; F858-L902 HydrophobicContact CG-CD1 4.14Å; A898-L902 VanDerWaalsContact O-CB 3.31Å; A898-L902 WeakPolarHBondContact O-CB 3.15Å; A898-L902 WeakPolarHBondContact O-CG 3.44Å; A898-L902 PolarHBondContact O-N 2.86Å; L902-T904 VanDerWaalsContact C-N 3.32Å; L902-T904 PolarHBondContact O-N 3.28Å; L902-E987 HydrophobicContact CD1-CG 4.05Å; L902-E987 HydrophobicContact CD2-CG 4.32Å; L902-E987 HydrophobicContact CG-CG 4.24Å; L902-A990 HydrophobicContact CD1-CB 4.46Å; L902-R991 HydrophobicContact CD2-CG 3.86Å; L902-F1009 HydrophobicContact CD2-CD2 4.16Å; L902-F1009 HydrophobicContact CD2-CE2 3.78Å
903	A	85	Confident	87.6	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.008	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13	179.5	0	0	0	0	0	114.6	S442 S899	S442-A903 PolarHBondContact OG-O 2.91Å; S899-A903 WeakPolarHBondContact O-CB 3.21Å; S899-A903 PolarHBondContact O-N 3.48Å
904	T	86.4	Confident	87.6	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	10.7	-173.2	61.4	0	0	0	0	114.8	Y445 L900 A901 L902 N1006 I1008	Y445-T904 HydrophobicContact CD1-CG2 3.99Å; Y445-T904 HydrophobicContact CD2-CG2 3.99Å; Y445-T904 HydrophobicContact CE1-CG2 4.22Å; Y445-T904 WeakPolarHBondContact CE1-O 3.49Å; Y445-T904 HydrophobicContact CE2-CG2 4.23Å; Y445-T904 HydrophobicContact CG-CG2 3.84Å; Y445-T904 PolarHBondContact OH-O 3.27Å; L900-T904 HydrophobicContact CD1-CG2 4.25Å; L900-T904 WeakPolarHBondContact O-CG2 3.11Å; L900-T904 PolarHBondContact O-OG1 3.07Å; A901-T904 PolarHBondContact O-OG1 3.1Å; L902-T904 VanDerWaalsContact C-N 3.32Å; L902-T904 PolarHBondContact O-N 3.28Å; T904-N1006 PolarHBondContact OG1-OD1 3.08Å; T904-I1008 HydrophobicContact CG2-CD1 4.05Å
905	E	84.8	Confident	87.7	Confident	14 Å²	14	36.8 Å²	36.8	7%	0.065	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-57.6	138.8	173.9	-78	-71.5	140.4	0	0	112	N847 K854 R991 N1006	N847-E905 PolarHBondContact ND2-O 3.15Å; K854-E905 HydrophobicContact CD-CG 4.48Å; E905-R991 VanDerWaalsContact CD-NH2 3.27Å; E905-R991 IonicContact OE1-CZ 3.12Å; E905-R991 IonicContact OE1-NE 2.62Å; E905-R991 PolarHBondContact OE1-NE 3.32Å; E905-R991 IonicContact OE1-NH2 2.7Å; E905-R991 PolarHBondContact OE1-NH2 3.24Å; E905-R991 VanDerWaalsContact OE1-NH2 3.08Å; E905-R991 IonicContact OE2-CZ 2.71Å; E905-R991 IonicContact OE2-NE 2.74Å; E905-R991 IonicContact OE2-NH2 2.63Å; E905-R991 PolarHBondContact OE2-NH2 3.34Å; E905-N1006 PolarHBondContact OE1-ND2 3.26Å
906	P	87.7	Confident	87.9	Confident	43 Å²	43	37.3 Å²	37.3	28%	0.279	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-75.5	151.8	174.6	31.7	-34.2	0	0	0	112.2	N1005	P906-N1005 HydrophobicContact CG-CB 4.17Å
907	P	90.5	Very high	87.7	Confident	28 Å²	28	38.5 Å²	38.5	18%	0.182	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-70.9	159.1	176.5	31.6	-37.7	0	0	0	112.6	M843 W844 N847 L911	M843-P907 HydrophobicContact CG-CB 3.91Å; M843-P907 HydrophobicContact SD-CB 3.88Å; M843-P907 HydrophobicContact SD-CG 4.32Å; W844-P907 HydrophobicContact CD2-CG 3.9Å; W844-P907 HydrophobicContact CE3-CG 4.21Å; W844-P907 HydrophobicContact CG-CG 4.42Å; W844-P907 HydrophobicContact CH2-CG 4.09Å; W844-P907 HydrophobicContact CZ2-CG 3.77Å; W844-P907 HydrophobicContact CZ3-CG 4.31Å; N847-P907 HydrophobicContact CB-CB 3.83Å; P907-L911 HydrophobicContact CB-CD1 3.93Å
908	T	88.6	Confident	87.1	Confident	70 Å²	70	37.1 Å²	37.1	43%	0.429	19%	0.193	S	C	.	.			trans	-131.4	152.7	177.9	56.1	0	0	0	0	111.6	S910 L911	T908-S910 PolarHBondContact O-N 3.4Å; T908-S910 VanDerWaalsContact O-N 3.14Å; T908-S910 PolarHBondContact OG1-OG 2.68Å; T908-L911 VanDerWaalsContact O-CB 3.29Å; T908-L911 WeakPolarHBondContact O-CB 3.38Å; T908-L911 VanDerWaalsContact O-CG 3.24Å; T908-L911 WeakPolarHBondContact O-CG 3.32Å; T908-L911 PolarHBondContact O-N 3.26Å; T908-L911 VanDerWaalsContact O-N 3.11Å
909	E	89.3	Confident	86.4	Confident	107 Å²	107	40.5 Å²	40.5	50%	0.5	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-62.4	-21.3	177.5	-73.2	-145.8	167.6	0	0	113.7	K696 M843 L911 L912	K696-E909 IonicContact NZ-OE1 2.73Å; M843-E909 HydrophobicContact CE-CG 4.09Å; E909-L911 PolarHBondContact O-N 3.19Å; E909-L912 WeakPolarHBondContact O-CB 3.34Å; E909-L912 PolarHBondContact O-N 2.92Å
910	S	89.3	Confident	85.9	Confident	63 Å²	63	43.7 Å²	43.7	44%	0.441	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-61.3	-23.8	175.3	54.7	0	0	0	0	112.9	T908 L912 L913	T908-S910 PolarHBondContact O-N 3.4Å; T908-S910 VanDerWaalsContact O-N 3.14Å; T908-S910 PolarHBondContact OG1-OG 2.68Å; S910-L912 PolarHBondContact O-N 2.99Å; S910-L913 PolarHBondContact O-N 2.9Å; S910-L913 VanDerWaalsContact O-N 3.11Å
911	L	90.2	Very high	85.6	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-61.5	-22.6	171.3	-56.9	175	0	0	0	112.8	M843 R846 N847 D850 P907 T908 E909	M843-L911 HydrophobicContact CG-CB 4.31Å; M843-L911 HydrophobicContact CG-CD1 4.14Å; R846-L911 HydrophobicContact CB-CB 4.29Å; R846-L911 VanDerWaalsContact CD-O 3.3Å; R846-L911 WeakPolarHBondContact CD-O 3.24Å; R846-L911 PolarHBondContact NH1-O 3.3Å; N847-L911 HydrophobicContact CB-CD1 3.74Å; D850-L911 VanDerWaalsContact OD2-CD2 3.31Å; D850-L911 WeakPolarHBondContact OD2-CD2 3.41Å; P907-L911 HydrophobicContact CB-CD1 3.93Å; T908-L911 VanDerWaalsContact O-CB 3.29Å; T908-L911 WeakPolarHBondContact O-CB 3.38Å; T908-L911 VanDerWaalsContact O-CG 3.24Å; T908-L911 WeakPolarHBondContact O-CG 3.32Å; T908-L911 PolarHBondContact O-N 3.26Å; T908-L911 VanDerWaalsContact O-N 3.11Å; E909-L911 PolarHBondContact O-N 3.19Å
912	L	92.2	Very high	85.3	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-93.3	2.7	177.9	-57	-178.7	0	0	0	113.7	A700 V839 V842 M843 E909 S910	A700-L912 WeakPolarHBondContact CA-O 2.94Å; A700-L912 HydrophobicContact CB-CB 4.32Å; A700-L912 HydrophobicContact CB-CD2 4.33Å; A700-L912 WeakPolarHBondContact CB-O 3.25Å; V839-L912 HydrophobicContact CG1-CD1 3.72Å; V842-L912 HydrophobicContact CG1-CD2 3.89Å; M843-L912 HydrophobicContact CB-CD2 4.27Å; M843-L912 HydrophobicContact CE-CD1 3.69Å; M843-L912 HydrophobicContact CE-CG 4.29Å; M843-L912 HydrophobicContact CG-CD2 4.47Å; M843-L912 HydrophobicContact CG-CG 4.32Å; E909-L912 WeakPolarHBondContact O-CB 3.34Å; E909-L912 PolarHBondContact O-N 2.92Å; S910-L912 PolarHBondContact O-N 2.99Å
913	L	91.8	Very high	84.9	Confident	110 Å²	110	45.9 Å²	45.9	58%	0.576	23%	0.231	S	C	*	.	S	Bend	trans	-92.4	-8.8	176.4	-60	179.2	0	0	0	113.5	S910	S910-L913 PolarHBondContact O-N 2.9Å; S910-L913 VanDerWaalsContact O-N 3.11Å
914	R	88.4	Confident	85.1	Confident	54 Å²	54	46.4 Å²	46.4	20%	0.204	23%	0.234	C	C	.	.	S	Bend	trans	-109.5	157.4	179.5	65.8	-173.9	-171.2	-136.2	1.6	111.9	A700 R846 D850 Y917 H994	A700-R914 VanDerWaalsContact O-O 3.13Å; R846-R914 PolarHBondContact NH1-O 3.03Å; D850-R914 IonicContact OD1-CZ 3.74Å; D850-R914 IonicContact OD1-NH1 2.59Å; D850-R914 IonicContact OD1-NH2 2.66Å; D850-R914 PolarHBondContact OD1-NH2 3.34Å; D850-R914 IonicContact OD2-CZ 3.16Å; D850-R914 IonicContact OD2-NH1 3.75Å; D850-R914 PolarHBondContact OD2-NH1 3.3Å; D850-R914 IonicContact OD2-NH2 2.8Å; D850-R914 PolarHBondContact OD2-NH2 3.3Å; R914-Y917 PolarHBondContact NE-OH 3.31Å; R914-Y917 VanDerWaalsContact NE-OH 3.14Å; R914-Y917 PolarHBondContact NH1-OH 2.75Å; R914-Y917 PolarHBondContact NH2-OH 3.29Å; R914-H994 PolarHBondContact NH1-CE1 2.99Å
915	K	89.1	Confident	85.1	Confident	170 Å²	170	48.5 Å²	48.5	74%	0.739	25%	0.249	S	C	*	.			trans	-69.1	156.7	168.2	-67.9	-171.6	178.5	-173.3	0	110.7
916	P	86.6	Confident	85.1	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.104	27%	0.266	C	S	.	.			trans	-60.8	161.2	175.6	24.1	-33.5	0	0	0	113.1	T470	T470-P916 HydrophobicContact CG2-CG 3.88Å
917	Y	77.7	Confident	85.1	Confident	34 Å²	34	53.1 Å²	53.1	13%	0.133	27%	0.265	C	S	.	.			trans	-74.6	-43	178.3	-66.9	-85.3	0	0	0	111.9	N468 Y849 D850 R914 K921 H994	N468-Y917 WeakPolarHBondContact OD1-CB 3.26Å; Y849-Y917 AromaticContact CD1-CD2 3.87Å; Y849-Y917 HydrophobicContact CD1-CD2 3.87Å; Y849-Y917 HydrophobicContact CD1-CE1 4.46Å; Y849-Y917 AromaticContact CD1-CE2 3.78Å; Y849-Y917 HydrophobicContact CD1-CE2 3.78Å; Y849-Y917 HydrophobicContact CD1-CG 4.27Å; Y849-Y917 HydrophobicContact CE1-CD1 4Å; Y849-Y917 HydrophobicContact CE1-CD2 4.11Å; Y849-Y917 HydrophobicContact CE1-CE1 4.09Å; Y849-Y917 HydrophobicContact CE1-CE2 4.19Å; Y849-Y917 HydrophobicContact CE1-CG 4.03Å; Y849-Y917 HydrophobicContact CG-CD2 4.42Å; D850-Y917 PolarHBondContact OD1-OH 3.2Å; R914-Y917 PolarHBondContact NE-OH 3.31Å; R914-Y917 VanDerWaalsContact NE-OH 3.14Å; R914-Y917 PolarHBondContact NH1-OH 2.75Å; R914-Y917 PolarHBondContact NH2-OH 3.29Å; Y917-K921 HydrophobicContact CD1-CD 4.27Å; Y917-K921 WeakPolarHBondContact O-CD 3.42Å; Y917-K921 WeakPolarHBondContact O-CE 3.4Å; Y917-K921 WeakPolarHBondContact O-CG 3.4Å; Y917-K921 PolarHBondContact O-NZ 3.25Å; Y917-H994 PolarHBondContact OH-CE1 3.31Å; Y917-H994 PolarHBondContact OH-NE2 3.28Å
918	G	75.3	Confident	85.1	Confident	6 Å²	6	52 Å²	52	6%	0.062	26%	0.257	C	S	.	.			trans	81.4	144.1	-177.5	0	0	0	0	0	112	N468 N920 K921	N468-G918 PolarHBondContact OD1-N 3.16Å; G918-N920 VanDerWaalsContact C-N 3.25Å; G918-N920 PolarHBondContact O-N 2.89Å; G918-N920 VanDerWaalsContact O-N 3.09Å; G918-K921 PolarHBondContact O-N 3.37Å
919	R	73.5	Confident	85.2	Confident	72 Å²	72	50.5 Å²	50.5	27%	0.272	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.1	-164.5	-65.2	177.3	76	126.5	-1.1	113.4	V361 K365 R789 V791 D809	V361-R919 VanDerWaalsContact CG2-NH2 3.33Å; K365-R919 VanDerWaalsContact CE-O 3.26Å; K365-R919 WeakPolarHBondContact CE-O 3.35Å; K365-R919 PolarHBondContact NZ-O 3.21Å; R789-R919 VanDerWaalsContact NH1-NH1 3.14Å; V791-R919 HydrophobicContact CG2-CG 3.94Å; D809-R919 IonicContact OD1-CZ 2.77Å; D809-R919 IonicContact OD1-NH1 2.79Å; D809-R919 PolarHBondContact OD1-NH1 2.86Å
920	N	73.3	Confident	85.3	Confident	67 Å²	67	46.4 Å²	46.4	36%	0.358	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.4	-172.3	-64.5	12.7	0	0	0	115.1	G918 Q1077	G918-N920 VanDerWaalsContact C-N 3.25Å; G918-N920 PolarHBondContact O-N 2.89Å; G918-N920 VanDerWaalsContact O-N 3.09Å; N920-Q1077 PolarHBondContact ND2-OE1 2.85Å
921	K	78.9	Confident	85.4	Confident	83 Å²	83	44.2 Å²	44.2	36%	0.361	21%	0.21	S	C	.	.	S	Bend	trans	-61	138.9	178.6	-84.9	-163.9	-175.5	88.3	0	111.6	K365 Y917 G918	K365-K921 PolarHBondContact NZ-O 3.16Å; Y917-K921 HydrophobicContact CD1-CD 4.27Å; Y917-K921 WeakPolarHBondContact O-CD 3.42Å; Y917-K921 WeakPolarHBondContact O-CE 3.4Å; Y917-K921 WeakPolarHBondContact O-CG 3.4Å; Y917-K921 PolarHBondContact O-NZ 3.25Å; G918-K921 PolarHBondContact O-N 3.37Å
922	P	82.7	Confident	85.5	Confident	12 Å²	12	44.2 Å²	44.2	8%	0.078	21%	0.209	C	C	.	.			trans	-65.9	149.6	174.9	23	-27.6	0	0	0	111.3	E1071 A1072	P922-E1071 HydrophobicContact CB-CB 4.12Å; P922-E1071 HydrophobicContact CG-CB 3.63Å; P922-E1071 HydrophobicContact CG-CG 4.16Å; P922-E1071 WeakPolarHBondContact CG-OE2 3.48Å; P922-A1072 VanDerWaalsContact CB-O 3.3Å; P922-A1072 WeakPolarHBondContact CB-O 3.37Å
923	L	82.7	Confident	85.6	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	23%	0.229	C	C	.	.	S	Bend	trans	-73.4	-37.6	-178.5	-173.2	52.5	0	0	0	112.3	L362 L366 Y849 L856 A1072 G1073	L362-L923 HydrophobicContact CD1-CD1 3.54Å; L362-L923 HydrophobicContact CD1-CD2 3.69Å; L362-L923 HydrophobicContact CD1-CG 4.25Å; L366-L923 HydrophobicContact CD2-CD2 3.51Å; L366-L923 HydrophobicContact CG-CD2 3.9Å; Y849-L923 HydrophobicContact CE2-CD1 3.99Å; L856-L923 HydrophobicContact CD1-CD1 4.18Å; L856-L923 HydrophobicContact CD1-CD2 3.59Å; L856-L923 HydrophobicContact CD1-CG 3.77Å; L923-A1072 PolarHBondContact N-O 2.75Å; L923-G1073 PolarHBondContact N-O 3.44Å; L923-G1073 VanDerWaalsContact N-O 3.16Å
924	I	87.3	Confident	85.6	Confident	13 Å²	13	43.4 Å²	43.4	7%	0.067	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-94	107.9	173.1	-55.3	175.6	0	0	0	109.4	L369 L860 M928 M929 A1072	L369-I924 HydrophobicContact CD1-CD1 3.93Å; L369-I924 HydrophobicContact CD1-CG1 4.25Å; L860-I924 HydrophobicContact CD1-CD1 3.53Å; L860-I924 HydrophobicContact CD1-CG1 4.23Å; I924-M928 HydrophobicContact CB-SD 4.22Å; I924-M928 HydrophobicContact CG1-CE 4.16Å; I924-M928 HydrophobicContact CG1-SD 4.21Å; I924-M928 HydrophobicContact CG2-CB 4.35Å; I924-M928 HydrophobicContact CG2-CG 4.23Å; I924-M928 HydrophobicContact CG2-SD 4.07Å; I924-M929 HydrophobicContact CG2-CB 4.14Å; I924-M929 HydrophobicContact CG2-CE 3.91Å; I924-A1072 HydrophobicContact CB-CB 4.21Å; I924-A1072 HydrophobicContact CD1-CB 4.21Å; I924-A1072 PolarHBondContact N-O 2.77Å; I924-A1072 PolarHBondContact O-N 3.19Å
925	S	86.7	Confident	86	Confident	45 Å²	45	41.1 Å²	41.1	32%	0.315	20%	0.201	S	C	.	.			trans	-80.1	165.6	175.8	80	0	0	0	0	112.3	T927 M928 M929	S925-T927 VanDerWaalsContact C-N 3.27Å; S925-T927 PolarHBondContact O-N 2.61Å; S925-T927 PolarHBondContact OG-N 3.28Å; S925-T927 PolarHBondContact OG-OG1 3.28Å; S925-M928 PolarHBondContact O-N 3.26Å; S925-M928 WeakPolarHBondContact OG-CB 3.42Å; S925-M928 PolarHBondContact OG-N 2.88Å; S925-M928 VanDerWaalsContact OG-N 3.17Å; S925-M929 WeakPolarHBondContact O-CB 3.4Å; S925-M929 PolarHBondContact O-N 3.02Å
926	R	86	Confident	86.3	Confident	112 Å²	112	33.1 Å²	33.1	42%	0.423	17%	0.167	S	C	.	.	H	α-helix	trans	-64.4	-26.9	175	-55.8	-173.4	-151.8	-159.9	-0.6	113.7	K930 T1063 E1071	R926-K930 WeakPolarHBondContact O-CB 3.4Å; R926-K930 PolarHBondContact O-N 3.13Å; R926-K930 VanDerWaalsContact O-N 3.09Å; R926-T1063 HydrophobicContact CB-CG2 4.27Å; R926-E1071 HydrophobicContact CG-CG 3.69Å; R926-E1071 IonicContact CZ-OE1 2.69Å; R926-E1071 IonicContact NE-OE1 2.68Å; R926-E1071 PolarHBondContact NE-OE1 3.39Å; R926-E1071 IonicContact NH2-OE1 2.87Å; R926-E1071 PolarHBondContact NH2-OE1 2.91Å
927	T	87.6	Confident	86.7	Confident	42 Å²	42	38.5 Å²	38.5	26%	0.258	19%	0.189	S	C	.	.	H	α-helix	trans	-73.8	-42.8	174.5	55.2	0	0	0	0	110.8	S925 K930 N931 I993 T1063	S925-T927 VanDerWaalsContact C-N 3.27Å; S925-T927 PolarHBondContact O-N 2.61Å; S925-T927 PolarHBondContact OG-N 3.28Å; S925-T927 PolarHBondContact OG-OG1 3.28Å; T927-K930 WeakPolarHBondContact O-CB 3.34Å; T927-K930 PolarHBondContact O-N 2.99Å; T927-N931 PolarHBondContact O-N 3.31Å; T927-N931 PolarHBondContact O-OD1 3.47Å; T927-I993 PolarHBondContact OG1-O 3.46Å; T927-T1063 HydrophobicContact CG2-CG2 3.86Å
928	M	90.5	Very high	87.6	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.02	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-46.2	175.5	-174	-177	175.3	0	0	111.5	L856 Q857 L860 I924 S925 K930 N931 I932	L856-M928 HydrophobicContact CB-CE 3.39Å; Q857-M928 HydrophobicContact CB-CE 4.17Å; Q857-M928 HydrophobicContact CB-CG 4.06Å; Q857-M928 HydrophobicContact CG-CG 3.99Å; L860-M928 HydrophobicContact CD1-CE 4.4Å; I924-M928 HydrophobicContact CB-SD 4.22Å; I924-M928 HydrophobicContact CG1-CE 4.16Å; I924-M928 HydrophobicContact CG1-SD 4.21Å; I924-M928 HydrophobicContact CG2-CB 4.35Å; I924-M928 HydrophobicContact CG2-CG 4.23Å; I924-M928 HydrophobicContact CG2-SD 4.07Å; S925-M928 PolarHBondContact O-N 3.26Å; S925-M928 WeakPolarHBondContact OG-CB 3.42Å; S925-M928 PolarHBondContact OG-N 2.88Å; S925-M928 VanDerWaalsContact OG-N 3.17Å; M928-K930 PolarHBondContact O-N 3.48Å; M928-N931 PolarHBondContact O-N 3.17Å; M928-N931 VanDerWaalsContact O-N 3.14Å; M928-I932 HydrophobicContact CE-CD1 4.37Å; M928-I932 HydrophobicContact CG-CD1 4Å; M928-I932 WeakPolarHBondContact O-CG1 3.4Å; M928-I932 PolarHBondContact O-N 3.48Å
929	M	89.9	Confident	88.6	Confident	39 Å²	39	38.3 Å²	38.3	19%	0.192	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-40.4	174.9	-171.8	65.6	80.2	0	0	112.4	I924 S925 N931 L933 L1069	I924-M929 HydrophobicContact CG2-CB 4.14Å; I924-M929 HydrophobicContact CG2-CE 3.91Å; S925-M929 WeakPolarHBondContact O-CB 3.4Å; S925-M929 PolarHBondContact O-N 3.02Å; M929-N931 VanDerWaalsContact C-N 3.32Å; M929-N931 PolarHBondContact O-N 3.5Å; M929-L933 HydrophobicContact CG-CD1 4Å; M929-L933 HydrophobicContact CG-CG 4.45Å; M929-L933 WeakPolarHBondContact O-CB 3.37Å; M929-L933 WeakPolarHBondContact O-CG 3.47Å; M929-L933 PolarHBondContact O-N 2.85Å; M929-L933 HydrophobicContact SD-CD1 4.06Å; M929-L933 HydrophobicContact SD-CG 4.16Å; M929-L1069 HydrophobicContact CG-CD2 4.07Å
930	K	90.9	Very high	89.7	Confident	21 Å²	21	36.1 Å²	36.1	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-44.2	172.8	-178.9	-167.2	64.9	158.3	0	111.2	R926 T927 M928 G934 I1058 I1061 T1063 L1066 L1069	R926-K930 WeakPolarHBondContact O-CB 3.4Å; R926-K930 PolarHBondContact O-N 3.13Å; R926-K930 VanDerWaalsContact O-N 3.09Å; T927-K930 WeakPolarHBondContact O-CB 3.34Å; T927-K930 PolarHBondContact O-N 2.99Å; M928-K930 PolarHBondContact O-N 3.48Å; K930-G934 WeakPolarHBondContact O-CA 3.24Å; K930-G934 PolarHBondContact O-N 3.43Å; K930-I1058 HydrophobicContact CD-CG2 4.09Å; K930-I1058 HydrophobicContact CG-CG2 4.03Å; K930-I1058 PolarHBondContact NZ-O 3.46Å; K930-I1061 WeakPolarHBondContact CD-O 3.43Å; K930-I1061 PolarHBondContact NZ-O 3.49Å; K930-T1063 HydrophobicContact CD-CG2 4.41Å; K930-L1066 HydrophobicContact CB-CD1 4.45Å; K930-L1066 HydrophobicContact CD-CD1 3.75Å; K930-L1066 HydrophobicContact CG-CD1 3.71Å; K930-L1069 HydrophobicContact CB-CD1 3.84Å
931	N	91.9	Very high	90.8	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-48.5	-179.4	-65.3	-6.9	0	0	0	111.1	Q857 T927 M928 M929 L933 G934 H935	Q857-N931 HydrophobicContact CG-CB 4.24Å; Q857-N931 PolarHBondContact OE1-ND2 3.01Å; T927-N931 PolarHBondContact O-N 3.31Å; T927-N931 PolarHBondContact O-OD1 3.47Å; M928-N931 PolarHBondContact O-N 3.17Å; M928-N931 VanDerWaalsContact O-N 3.14Å; M929-N931 VanDerWaalsContact C-N 3.32Å; M929-N931 PolarHBondContact O-N 3.5Å; N931-L933 PolarHBondContact O-N 3.21Å; N931-G934 PolarHBondContact O-N 2.96Å; N931-H935 PolarHBondContact O-CD2 3.36Å; N931-H935 VanDerWaalsContact O-CD2 3.29Å; N931-H935 PolarHBondContact O-N 3.4Å
932	I	92.8	Very high	91.6	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-55.1	-55.9	177.3	-67.7	162.5	0	0	0	110.6	Q857 L860 M928 G934 A936	Q857-I932 HydrophobicContact CG-CG1 3.96Å; L860-I932 HydrophobicContact CB-CD1 3.98Å; L860-I932 HydrophobicContact CB-CG1 4.49Å; L860-I932 HydrophobicContact CD1-CD1 4.12Å; M928-I932 HydrophobicContact CE-CD1 4.37Å; M928-I932 HydrophobicContact CG-CD1 4Å; M928-I932 WeakPolarHBondContact O-CG1 3.4Å; M928-I932 PolarHBondContact O-N 3.48Å; I932-G934 PolarHBondContact O-N 3.46Å; I932-A936 WeakPolarHBondContact O-CB 3.26Å; I932-A936 PolarHBondContact O-N 2.8Å
933	L	92.9	Very high	92.1	Very high	79 Å²	79	32.4 Å²	32.4	41%	0.414	17%	0.166	S	C	.	.	H	α-helix	trans	-69.3	-33.5	-177.7	-63.5	177.4	0	0	0	112.7	M929 N931 F937 L1069	M929-L933 HydrophobicContact CG-CD1 4Å; M929-L933 HydrophobicContact CG-CG 4.45Å; M929-L933 WeakPolarHBondContact O-CB 3.37Å; M929-L933 WeakPolarHBondContact O-CG 3.47Å; M929-L933 PolarHBondContact O-N 2.85Å; M929-L933 HydrophobicContact SD-CD1 4.06Å; M929-L933 HydrophobicContact SD-CG 4.16Å; N931-L933 PolarHBondContact O-N 3.21Å; L933-F937 WeakPolarHBondContact O-CB 3.37Å; L933-F937 PolarHBondContact O-N 2.67Å; L933-L1069 HydrophobicContact CD1-CD2 3.78Å
934	G	93.4	Very high	92.7	Very high	17 Å²	17	34.6 Å²	34.6	18%	0.175	18%	0.176	C	C	.	.	H	α-helix	trans	-69.1	-41.1	178.9	0	0	0	0	0	113.2	K930 N931 I932 Y938 W1054	K930-G934 WeakPolarHBondContact O-CA 3.24Å; K930-G934 PolarHBondContact O-N 3.43Å; N931-G934 PolarHBondContact O-N 2.96Å; I932-G934 PolarHBondContact O-N 3.46Å; G934-Y938 PolarHBondContact O-N 2.8Å; G934-W1054 PolarHBondContact O-NE1 3.03Å; G934-W1054 VanDerWaalsContact O-NE1 3.13Å
935	H	95.3	Very high	93	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-72.1	-44.7	171.7	-77.5	-70.5	0	0	0	110.9	T861 N931 F937 Y938 Q939 N989 T1051 G1055	T861-H935 HydrophobicContact CG2-CB 3.84Å; N931-H935 PolarHBondContact O-CD2 3.36Å; N931-H935 VanDerWaalsContact O-CD2 3.29Å; N931-H935 PolarHBondContact O-N 3.4Å; H935-F937 VanDerWaalsContact C-N 3.27Å; H935-F937 PolarHBondContact O-N 2.94Å; H935-Y938 WeakPolarHBondContact O-CB 3.21Å; H935-Y938 PolarHBondContact O-N 3.43Å; H935-Q939 WeakPolarHBondContact O-CG 3.44Å; H935-Q939 PolarHBondContact O-N 3.24Å; H935-N989 PolarHBondContact CE1-ND2 3.47Å; H935-T1051 PolarHBondContact CE1-O 3.42Å; H935-T1051 PolarHBondContact ND1-OG1 3.35Å; H935-G1055 WeakPolarHBondContact CE1-CA 3.49Å
936	A	95.8	Very high	93.3	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-41.2	178.1	0	0	0	0	0	112.4	V864 V865 I932 Q939 L940	V864-A936 HydrophobicContact CG1-CB 4.01Å; V865-A936 VanDerWaalsContact CG2-CA 3.46Å; V865-A936 HydrophobicContact CG2-CB 3.58Å; I932-A936 WeakPolarHBondContact O-CB 3.26Å; I932-A936 PolarHBondContact O-N 2.8Å; A936-Q939 PolarHBondContact O-N 3.23Å; A936-L940 WeakPolarHBondContact O-CB 3.33Å; A936-L940 WeakPolarHBondContact O-CG 3.5Å; A936-L940 PolarHBondContact O-N 3.14Å
937	F	95.9	Very high	93.5	Very high	128 Å²	128	31.2 Å²	31.2	56%	0.561	17%	0.166	S	C	*	.	H	α-helix	trans	-58.7	-47.6	173.5	178	-98.8	0	0	0	112.7	L933 H935 L940 V941 W1054	L933-F937 WeakPolarHBondContact O-CB 3.37Å; L933-F937 PolarHBondContact O-N 2.67Å; H935-F937 VanDerWaalsContact C-N 3.27Å; H935-F937 PolarHBondContact O-N 2.94Å; F937-L940 PolarHBondContact O-N 2.71Å; F937-V941 HydrophobicContact CE1-CG2 4.11Å; F937-V941 HydrophobicContact CE2-CG2 4.11Å; F937-V941 HydrophobicContact CZ-CG2 3.89Å; F937-V941 WeakPolarHBondContact O-CG2 3.45Å; F937-V941 PolarHBondContact O-N 2.9Å; F937-W1054 HydrophobicContact CD1-CZ2 4.37Å
938	Y	96.6	Very high	93.6	Very high	36 Å²	36	32.5 Å²	32.5	14%	0.141	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-47.7	177.4	177.9	-96.9	0	0	0	112	G934 H935 L940 V941 V942 M982 L1047 G1050 W1054	G934-Y938 PolarHBondContact O-N 2.8Å; H935-Y938 WeakPolarHBondContact O-CB 3.21Å; H935-Y938 PolarHBondContact O-N 3.43Å; Y938-L940 VanDerWaalsContact C-N 3.34Å; Y938-L940 PolarHBondContact O-N 3.3Å; Y938-V941 PolarHBondContact O-N 3.25Å; Y938-V942 HydrophobicContact CD1-CG2 4.35Å; Y938-V942 HydrophobicContact CE1-CG2 3.91Å; Y938-V942 HydrophobicContact CE2-CG2 4.11Å; Y938-V942 WeakPolarHBondContact O-CG2 3.39Å; Y938-V942 PolarHBondContact O-N 3.07Å; Y938-M982 HydrophobicContact CD1-SD 3.92Å; Y938-M982 HydrophobicContact CE1-SD 3.74Å; Y938-L1047 PolarHBondContact OH-O 2.86Å; Y938-L1047 VanDerWaalsContact OH-O 3.14Å; Y938-G1050 WeakPolarHBondContact OH-CA 3.42Å; Y938-W1054 VanDerWaalsContact CB-CD1 3.47Å; Y938-W1054 HydrophobicContact CD2-CB 4.02Å; Y938-W1054 AromaticContact CD2-CD2 3.77Å; Y938-W1054 HydrophobicContact CD2-CD2 3.77Å; Y938-W1054 HydrophobicContact CD2-CE3 4.15Å; Y938-W1054 AromaticContact CD2-CG 3.7Å; Y938-W1054 HydrophobicContact CD2-CG 3.7Å; Y938-W1054 HydrophobicContact CE2-CB 4.35Å; Y938-W1054 HydrophobicContact CE2-CG 4.43Å; Y938-W1054 HydrophobicContact CG-CB 4.2Å; Y938-W1054 AromaticContact CG-CD1 3.89Å; Y938-W1054 HydrophobicContact CG-CD2 4.35Å; Y938-W1054 AromaticContact CG-CG 3.89Å; Y938-W1054 HydrophobicContact CG-CG 3.89Å
939	Q	96.3	Very high	93.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-41.6	-179.6	-63.6	-166.8	-11.8	0	0	111.8	V865 H935 A936 V942 V943 M982	V865-Q939 HydrophobicContact CG1-CB 3.86Å; V865-Q939 HydrophobicContact CG2-CB 3.96Å; H935-Q939 WeakPolarHBondContact O-CG 3.44Å; H935-Q939 PolarHBondContact O-N 3.24Å; A936-Q939 PolarHBondContact O-N 3.23Å; Q939-V942 PolarHBondContact O-N 3.46Å; Q939-V943 WeakPolarHBondContact O-CB 3.44Å; Q939-V943 VanDerWaalsContact O-CG2 3.26Å; Q939-V943 WeakPolarHBondContact O-CG2 3.43Å; Q939-V943 PolarHBondContact O-N 2.88Å; Q939-M982 HydrophobicContact CB-CE 3.69Å; Q939-M982 HydrophobicContact CB-SD 4.12Å; Q939-M982 HydrophobicContact CG-CE 3.76Å; Q939-M982 HydrophobicContact CG-CG 3.92Å; Q939-M982 HydrophobicContact CG-SD 3.71Å
940	L	96	Very high	93.5	Very high	27 Å²	27	32.6 Å²	32.6	14%	0.141	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-41.5	176.3	-72	169.6	0	0	0	112.5	V865 I868 V869 A936 F937 Y938 F944	V865-L940 HydrophobicContact CG1-CD2 3.99Å; V865-L940 HydrophobicContact CG1-CG 4.23Å; V865-L940 HydrophobicContact CG2-CG 4.39Å; I868-L940 HydrophobicContact CB-CD1 4.46Å; I868-L940 HydrophobicContact CB-CD2 3.92Å; I868-L940 HydrophobicContact CD1-CD1 4.03Å; I868-L940 HydrophobicContact CG2-CD1 4.03Å; I868-L940 HydrophobicContact CG2-CD2 3.55Å; I868-L940 HydrophobicContact CG2-CG 4.46Å; V869-L940 HydrophobicContact CG2-CD2 3.78Å; A936-L940 WeakPolarHBondContact O-CB 3.33Å; A936-L940 WeakPolarHBondContact O-CG 3.5Å; A936-L940 PolarHBondContact O-N 3.14Å; F937-L940 PolarHBondContact O-N 2.71Å; Y938-L940 VanDerWaalsContact C-N 3.34Å; Y938-L940 PolarHBondContact O-N 3.3Å; L940-F944 HydrophobicContact CB-CD2 4.3Å; L940-F944 HydrophobicContact CB-CE2 4.19Å; L940-F944 HydrophobicContact CD2-CE2 3.82Å; L940-F944 HydrophobicContact CD2-CZ 3.97Å; L940-F944 VanDerWaalsContact O-CB 3.31Å; L940-F944 WeakPolarHBondContact O-CB 3.37Å; L940-F944 WeakPolarHBondContact O-CD2 3.34Å; L940-F944 WeakPolarHBondContact O-CG 3.37Å; L940-F944 PolarHBondContact O-N 3.47Å
941	V	96.1	Very high	93.3	Very high	68 Å²	68	32.8 Å²	32.8	41%	0.412	18%	0.177	S	C	.	.	H	α-helix	trans	-61.1	-49.5	175.1	168.9	0	0	0	0	110.5	F937 Y938 T945	F937-V941 HydrophobicContact CE1-CG2 4.11Å; F937-V941 HydrophobicContact CE2-CG2 4.11Å; F937-V941 HydrophobicContact CZ-CG2 3.89Å; F937-V941 WeakPolarHBondContact O-CG2 3.45Å; F937-V941 PolarHBondContact O-N 2.9Å; Y938-V941 PolarHBondContact O-N 3.25Å; V941-T945 WeakPolarHBondContact O-CB 3.31Å; V941-T945 PolarHBondContact O-N 3.26Å; V941-T945 PolarHBondContact O-OG1 3.34Å; V941-T945 VanDerWaalsContact O-OG1 3.05Å
942	V	96.1	Very high	93.1	Very high	15 Å²	15	40.1 Å²	40.1	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-50.1	178.8	173.3	0	0	0	0	111.4	Y938 Q939 F944 T945 L946 T978 M982 L1047	Y938-V942 HydrophobicContact CD1-CG2 4.35Å; Y938-V942 HydrophobicContact CE1-CG2 3.91Å; Y938-V942 HydrophobicContact CE2-CG2 4.11Å; Y938-V942 WeakPolarHBondContact O-CG2 3.39Å; Y938-V942 PolarHBondContact O-N 3.07Å; Q939-V942 PolarHBondContact O-N 3.46Å; V942-F944 PolarHBondContact O-N 2.82Å; V942-T945 PolarHBondContact O-N 3.19Å; V942-L946 HydrophobicContact CG1-CD1 4.09Å; V942-L946 WeakPolarHBondContact O-CG 3.44Å; V942-L946 PolarHBondContact O-N 2.87Å; V942-T978 HydrophobicContact CG1-CG2 4.06Å; V942-M982 HydrophobicContact CB-CE 4.39Å; V942-M982 HydrophobicContact CB-SD 4.3Å; V942-M982 HydrophobicContact CG1-CE 4.37Å; V942-M982 HydrophobicContact CG1-SD 4.36Å; V942-L1047 HydrophobicContact CG1-CB 4.29Å; V942-L1047 HydrophobicContact CG1-CD1 4.17Å; V942-L1047 HydrophobicContact CG1-CD2 4.38Å
943	V	94.4	Very high	92.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-42.1	-178	170.9	0	0	0	0	111.8	V869 Q939 L946 L947 V975 F979 M982	V869-V943 HydrophobicContact CB-CG1 4.45Å; V869-V943 HydrophobicContact CG1-CG1 3.85Å; V869-V943 HydrophobicContact CG2-CB 4.24Å; V869-V943 HydrophobicContact CG2-CG1 3.65Å; Q939-V943 WeakPolarHBondContact O-CB 3.44Å; Q939-V943 VanDerWaalsContact O-CG2 3.26Å; Q939-V943 WeakPolarHBondContact O-CG2 3.43Å; Q939-V943 PolarHBondContact O-N 2.88Å; V943-L946 PolarHBondContact O-N 3.13Å; V943-L947 VanDerWaalsContact O-CB 3.22Å; V943-L947 WeakPolarHBondContact O-CB 3.41Å; V943-L947 PolarHBondContact O-N 3.47Å; V943-V975 HydrophobicContact CG1-CG1 4.15Å; V943-F979 HydrophobicContact CG2-CD2 4.11Å; V943-M982 HydrophobicContact CG2-CE 3.96Å
944	F	94.3	Very high	92.5	Very high	48 Å²	48	44.1 Å²	44.1	21%	0.211	22%	0.222	C	C	.	.	H	α-helix	trans	-73	-32.5	177.5	-66.2	-38.8	0	0	0	113.2	I868 V869 T872 L940 V942 L947 F948	I868-F944 HydrophobicContact CG2-CE2 4.44Å; I868-F944 HydrophobicContact CG2-CZ 4.12Å; V869-F944 HydrophobicContact CG2-CE1 4.44Å; T872-F944 HydrophobicContact CG2-CE1 3.73Å; T872-F944 HydrophobicContact CG2-CE2 4.44Å; T872-F944 HydrophobicContact CG2-CZ 3.64Å; L940-F944 HydrophobicContact CB-CD2 4.3Å; L940-F944 HydrophobicContact CB-CE2 4.19Å; L940-F944 HydrophobicContact CD2-CE2 3.82Å; L940-F944 HydrophobicContact CD2-CZ 3.97Å; L940-F944 VanDerWaalsContact O-CB 3.31Å; L940-F944 WeakPolarHBondContact O-CB 3.37Å; L940-F944 WeakPolarHBondContact O-CD2 3.34Å; L940-F944 WeakPolarHBondContact O-CG 3.37Å; L940-F944 PolarHBondContact O-N 3.47Å; V942-F944 PolarHBondContact O-N 2.82Å; F944-L947 HydrophobicContact CD1-CD2 4.31Å; F944-L947 PolarHBondContact O-N 3.5Å; F944-F948 HydrophobicContact CB-CD2 4.15Å; F944-F948 HydrophobicContact CB-CE2 4.24Å; F944-F948 AromaticContact CD1-CE2 3.95Å; F944-F948 HydrophobicContact CD1-CE2 3.95Å; F944-F948 HydrophobicContact CG-CE2 4.32Å; F944-F948 VanDerWaalsContact O-CD2 3.29Å; F944-F948 WeakPolarHBondContact O-CD2 3.44Å; F944-F948 PolarHBondContact O-N 3.24Å
945	T	94.1	Very high	92.2	Very high	88 Å²	88	50.9 Å²	50.9	54%	0.54	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-44.8	170.5	-67	0	0	0	0	111	V941 V942 A949 G950	V941-T945 WeakPolarHBondContact O-CB 3.31Å; V941-T945 PolarHBondContact O-N 3.26Å; V941-T945 PolarHBondContact O-OG1 3.34Å; V941-T945 VanDerWaalsContact O-OG1 3.05Å; V942-T945 PolarHBondContact O-N 3.19Å; T945-A949 WeakPolarHBondContact O-CA 3.39Å; T945-A949 WeakPolarHBondContact O-CB 3.45Å; T945-A949 PolarHBondContact O-N 3.37Å; T945-G950 PolarHBondContact O-N 3.16Å
946	L	92.4	Very high	91.8	Very high	12 Å²	12	51.9 Å²	51.9	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-46.4	174.3	-68.1	174.2	0	0	0	111.6	V942 V943 F948 G950 F954 H971 I974 V975 T978 L1047	V942-L946 HydrophobicContact CG1-CD1 4.09Å; V942-L946 WeakPolarHBondContact O-CG 3.44Å; V942-L946 PolarHBondContact O-N 2.87Å; V943-L946 PolarHBondContact O-N 3.13Å; L946-F948 PolarHBondContact O-N 3.26Å; L946-G950 WeakPolarHBondContact O-CA 3.26Å; L946-G950 PolarHBondContact O-N 2.94Å; L946-F954 HydrophobicContact CD2-CE2 3.77Å; L946-F954 HydrophobicContact CD2-CZ 4.42Å; L946-H971 PolarHBondContact O-NE2 3.49Å; L946-I974 HydrophobicContact CD2-CG2 4.42Å; L946-V975 HydrophobicContact CB-CG2 3.87Å; L946-T978 HydrophobicContact CD1-CG2 3.8Å; L946-L1047 HydrophobicContact CD1-CD1 4.19Å; L946-L1047 HydrophobicContact CD2-CD1 4.26Å
947	L	89.9	Confident	91.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-37.7	-177.1	-177.2	59.5	0	0	0	113.6	P881 V943 F944 R960 H971 Y972	P881-L947 HydrophobicContact CB-CD1 3.71Å; P881-L947 HydrophobicContact CB-CD2 4.32Å; P881-L947 HydrophobicContact CG-CD1 4.42Å; P881-L947 HydrophobicContact CG-CD2 4.13Å; V943-L947 VanDerWaalsContact O-CB 3.22Å; V943-L947 WeakPolarHBondContact O-CB 3.41Å; V943-L947 PolarHBondContact O-N 3.47Å; F944-L947 HydrophobicContact CD1-CD2 4.31Å; F944-L947 PolarHBondContact O-N 3.5Å; L947-R960 WeakPolarHBondContact O-CD 3.5Å; L947-H971 VanDerWaalsContact C-CE1 3.43Å; L947-H971 PolarHBondContact O-CE1 2.94Å; L947-H971 PolarHBondContact O-NE2 2.81Å; L947-Y972 HydrophobicContact CD1-CD1 4.34Å; L947-Y972 HydrophobicContact CD1-CE1 3.7Å
948	F	90.2	Very high	90.7	Very high	69 Å²	69	55.4 Å²	55.4	30%	0.303	29%	0.288	S	S	.	.	H	α-helix	trans	-105.6	-12.5	-174.5	-61.9	-57.9	0	0	0	115.3	I876 T877 F944 L946	I876-F948 HydrophobicContact CB-CE1 4.45Å; I876-F948 HydrophobicContact CB-CZ 4.37Å; I876-F948 HydrophobicContact CD1-CZ 3.87Å; I876-F948 HydrophobicContact CG2-CE1 3.71Å; I876-F948 HydrophobicContact CG2-CZ 4.02Å; T877-F948 HydrophobicContact CG2-CE1 4.47Å; F944-F948 HydrophobicContact CB-CD2 4.15Å; F944-F948 HydrophobicContact CB-CE2 4.24Å; F944-F948 AromaticContact CD1-CE2 3.95Å; F944-F948 HydrophobicContact CD1-CE2 3.95Å; F944-F948 HydrophobicContact CG-CE2 4.32Å; F944-F948 VanDerWaalsContact O-CD2 3.29Å; F944-F948 WeakPolarHBondContact O-CD2 3.44Å; F944-F948 PolarHBondContact O-N 3.24Å; L946-F948 PolarHBondContact O-N 3.26Å
949	A	90.3	Very high	89.8	Confident	43 Å²	43	53.9 Å²	53.9	36%	0.355	28%	0.284	S	S	.	.	H	α-helix	trans	-135.4	-5.1	179.4	0	0	0	0	0	114.6	T945 E951 K952 F953	T945-A949 WeakPolarHBondContact O-CA 3.39Å; T945-A949 WeakPolarHBondContact O-CB 3.45Å; T945-A949 PolarHBondContact O-N 3.37Å; A949-E951 VanDerWaalsContact C-N 3.33Å; A949-E951 PolarHBondContact O-N 2.67Å; A949-K952 PolarHBondContact O-N 3.4Å; A949-F953 PolarHBondContact O-N 2.9Å
950	G	87.5	Confident	89.1	Confident	2 Å²	2	57.5 Å²	57.5	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-41	-179.1	0	0	0	0	0	113.6	T945 L946 K952 F953 F954 H971	T945-G950 PolarHBondContact O-N 3.16Å; L946-G950 WeakPolarHBondContact O-CA 3.26Å; L946-G950 PolarHBondContact O-N 2.94Å; G950-K952 PolarHBondContact O-N 3.45Å; G950-K952 VanDerWaalsContact O-N 3.14Å; G950-F953 PolarHBondContact O-N 3.3Å; G950-F954 WeakPolarHBondContact O-CD2 3.41Å; G950-F954 PolarHBondContact O-N 3.44Å; G950-H971 VanDerWaalsContact CA-NE2 3.33Å; G950-H971 WeakPolarHBondContact CA-NE2 3.24Å; G950-H971 PolarHBondContact N-NE2 3.06Å
951	E	86.5	Confident	87.9	Confident	24 Å²	24	61.5 Å²	61.5	11%	0.112	32%	0.319	C	S	.	.	H	α-helix	trans	-46.7	-41.5	172.4	73.9	-162.1	-155.1	0	0	112.4	A949 D955 I956 S958 R960 H971	A949-E951 VanDerWaalsContact C-N 3.33Å; A949-E951 PolarHBondContact O-N 2.67Å; E951-D955 WeakPolarHBondContact O-CA 3.49Å; E951-D955 PolarHBondContact O-N 2.95Å; E951-I956 WeakPolarHBondContact CA-O 3.46Å; E951-I956 PolarHBondContact O-N 2.96Å; E951-I956 VanDerWaalsContact O-N 3.1Å; E951-S958 WeakPolarHBondContact OE2-CB 3.33Å; E951-S958 PolarHBondContact OE2-OG 3.4Å; E951-R960 IonicContact OE1-CZ 3.98Å; E951-R960 IonicContact OE1-NH2 2.85Å; E951-R960 PolarHBondContact OE1-NH2 3.49Å; E951-R960 IonicContact OE2-CZ 3.21Å; E951-R960 IonicContact OE2-NE 2.93Å; E951-R960 PolarHBondContact OE2-NE 2.86Å; E951-R960 IonicContact OE2-NH2 2.71Å; E951-R960 PolarHBondContact OE2-NH2 2.88Å; E951-H971 IonicContact OE2-CE1 3.8Å
952	K	88.6	Confident	86.7	Confident	172 Å²	172	60.3 Å²	60.3	75%	0.748	32%	0.316	S	S	*	.	H	α-helix	trans	-91	-11.4	-178	-51	-172	-178.5	173.4	0	113.9	A949 G950	A949-K952 PolarHBondContact O-N 3.4Å; G950-K952 PolarHBondContact O-N 3.45Å; G950-K952 VanDerWaalsContact O-N 3.14Å
953	F	87.4	Confident	85.3	Confident	134 Å²	134	62.3 Å²	62.3	59%	0.588	33%	0.329	S	S	*	.	H	α-helix	trans	-93.3	-31.3	179.9	-167.4	-89.3	0	0	0	111.6	A949 G950 W1043	A949-F953 PolarHBondContact O-N 2.9Å; G950-F953 PolarHBondContact O-N 3.3Å; F953-W1043 HydrophobicContact CZ-CH2 4.46Å
954	F	86.2	Confident	83.6	Confident	35 Å²	35	63.7 Å²	63.7	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-106.2	-4.1	178.6	-64.2	-74	0	0	0	114	L946 G950 I956 I974 Q1040 W1043	L946-F954 HydrophobicContact CD2-CE2 3.77Å; L946-F954 HydrophobicContact CD2-CZ 4.42Å; G950-F954 WeakPolarHBondContact O-CD2 3.41Å; G950-F954 PolarHBondContact O-N 3.44Å; F954-I956 HydrophobicContact CB-CD1 3.93Å; F954-I956 HydrophobicContact CB-CG1 4.06Å; F954-I956 HydrophobicContact CB-CG2 4.16Å; F954-I974 HydrophobicContact CD2-CD1 4.27Å; F954-I974 HydrophobicContact CE2-CG2 4.18Å; F954-I974 HydrophobicContact CG-CD1 4.34Å; F954-Q1040 HydrophobicContact CD1-CG 4.21Å; F954-W1043 HydrophobicContact CE1-CB 3.91Å; F954-W1043 AromaticContact CE1-CD1 3.7Å; F954-W1043 AromaticContact CE1-CG 3.79Å; F954-W1043 HydrophobicContact CE1-CG 3.79Å; F954-W1043 HydrophobicContact CZ-CB 4.04Å; F954-W1043 HydrophobicContact CZ-CG 4.25Å
955	D	85.5	Confident	82	Confident	159 Å²	159	65.6 Å²	65.6	85%	0.85	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	51.6	-176.9	-150.1	32	0	0	0	112.4	E951	E951-D955 WeakPolarHBondContact O-CA 3.49Å; E951-D955 PolarHBondContact O-N 2.95Å
956	I	87.4	Confident	80.7	Confident	26 Å²	26	63.2 Å²	63.2	13%	0.133	34%	0.335	C	S	.	.			trans	-129.5	154.9	-174.6	62.2	-179.4	0	0	0	111.9	E951 F954 E970 H971 I974	E951-I956 WeakPolarHBondContact CA-O 3.46Å; E951-I956 PolarHBondContact O-N 2.96Å; E951-I956 VanDerWaalsContact O-N 3.1Å; F954-I956 HydrophobicContact CB-CD1 3.93Å; F954-I956 HydrophobicContact CB-CG1 4.06Å; F954-I956 HydrophobicContact CB-CG2 4.16Å; I956-E970 HydrophobicContact CD1-CG 4.47Å; I956-E970 WeakPolarHBondContact CG2-OE2 3.34Å; I956-H971 HydrophobicContact CD1-CB 3.94Å; I956-H971 HydrophobicContact CG1-CB 4.41Å; I956-I974 HydrophobicContact CD1-CD1 3.55Å
957	D	84.9	Confident	79.6	Confident	149 Å²	149	67.6 Å²	67.6	80%	0.797	36%	0.364	S	S	*	.			trans	-62.5	137.8	179.9	-76	-47.4	0	0	0	113.3	G959	D957-G959 PolarHBondContact O-N 3.35Å
958	S	83.5	Confident	79.1	Confident	55 Å²	55	69.4 Å²	69.4	39%	0.385	38%	0.376	S	S	.	.			trans	-71	112.1	-179.6	160.5	0	0	0	0	111.5	E951 R960	E951-S958 WeakPolarHBondContact OE2-CB 3.33Å; E951-S958 PolarHBondContact OE2-OG 3.4Å; S958-R960 PolarHBondContact O-N 2.87Å; S958-R960 VanDerWaalsContact O-N 3.1Å; S958-R960 WeakPolarHBondContact OG-CB 3.43Å; S958-R960 PolarHBondContact OG-N 2.96Å
959	G	77.6	Confident	78.9	Confident	5 Å²	5	67.4 Å²	67.4	5%	0.052	37%	0.371	C	S	.	.			trans	-67.8	-1.9	169.9	0	0	0	0	0	115	D957 S969 H971 Y972	D957-G959 PolarHBondContact O-N 3.35Å; G959-S969 WeakPolarHBondContact CA-OG 3.45Å; G959-S969 PolarHBondContact N-OG 2.78Å; G959-H971 PolarHBondContact N-ND1 3.05Å; G959-Y972 WeakPolarHBondContact O-CE2 3.32Å; G959-Y972 VanDerWaalsContact O-CZ 3.27Å; G959-Y972 PolarHBondContact O-OH 3.46Å
960	R	81.7	Confident	78.7	Confident	76 Å²	76	68.5 Å²	68.5	29%	0.287	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	141.5	-178.9	-54.8	-174.6	-73.3	145	-4.3	111.5	T877 L947 E951 S958 A962 H971 Y972	T877-R960 HydrophobicContact CG2-CB 4.2Å; T877-R960 HydrophobicContact CG2-CG 4.2Å; L947-R960 WeakPolarHBondContact O-CD 3.5Å; E951-R960 IonicContact OE1-CZ 3.98Å; E951-R960 IonicContact OE1-NH2 2.85Å; E951-R960 PolarHBondContact OE1-NH2 3.49Å; E951-R960 IonicContact OE2-CZ 3.21Å; E951-R960 IonicContact OE2-NE 2.93Å; E951-R960 PolarHBondContact OE2-NE 2.86Å; E951-R960 IonicContact OE2-NH2 2.71Å; E951-R960 PolarHBondContact OE2-NH2 2.88Å; S958-R960 PolarHBondContact O-N 2.87Å; S958-R960 VanDerWaalsContact O-N 3.1Å; S958-R960 WeakPolarHBondContact OG-CB 3.43Å; S958-R960 PolarHBondContact OG-N 2.96Å; R960-A962 PolarHBondContact O-N 2.99Å; R960-H971 VanDerWaalsContact CD-CE1 3.46Å; R960-H971 WeakPolarHBondContact CD-CE1 3.33Å; R960-H971 VanDerWaalsContact CG-CE1 3.42Å; R960-H971 WeakPolarHBondContact CG-CE1 3.26Å; R960-Y972 WeakPolarHBondContact CA-OH 3.44Å; R960-Y972 HydrophobicContact CG-CE1 4.23Å
961	N	71.1	Confident	78.9	Confident	110 Å²	110	68.5 Å²	68.5	59%	0.588	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	22.6	-179.7	-51	-5.2	0	0	0	114.4
962	A	71.5	Confident	79	Confident	43 Å²	43	68.3 Å²	68.3	36%	0.355	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-60.1	140.1	179.2	0	0	0	0	0	112.1	R960 A966	R960-A962 PolarHBondContact O-N 2.99Å; A962-A966 HydrophobicContact CB-CB 3.82Å
963	P	66.7	Low	79.2	Confident	57 Å²	57	60.1 Å²	60.1	37%	0.37	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-66.3	167.5	-177.1	25.6	-33.3	0	0	0	113.1	V140 H965 A966	V140-P963 HydrophobicContact CG1-CB 3.97Å; P963-H965 PolarHBondContact O-N 2.97Å; P963-A966 HydrophobicContact CG-CB 4.06Å; P963-A966 VanDerWaalsContact O-CB 3.23Å; P963-A966 WeakPolarHBondContact O-CB 3.44Å; P963-A966 PolarHBondContact O-N 2.77Å; P963-A966 VanDerWaalsContact O-N 3.15Å
964	L	58.8	Low	79.5	Confident	30 Å²	30	53.9 Å²	53.9	16%	0.157	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	131.5	172.4	-162.7	67	0	0	0	109.5	I411 Q414 Y415 K418 A966	I411-L964 HydrophobicContact CD1-CD2 3.54Å; Q414-L964 HydrophobicContact CB-CD2 4.36Å; Q414-L964 HydrophobicContact CG-CD2 3.93Å; Y415-L964 HydrophobicContact CE2-CD2 4.4Å; K418-L964 HydrophobicContact CD-CD1 3.79Å; L964-A966 VanDerWaalsContact C-N 3.33Å
965	H	60.9	Low	79.8	Confident	88 Å²	88	52.3 Å²	52.3	41%	0.407	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	11.7	-172.5	-46.7	-62.1	0	0	0	117.1	Q414 P963	Q414-H965 PolarHBondContact NE2-NE2 2.65Å; P963-H965 PolarHBondContact O-N 2.97Å
966	A	65.6	Low	80.2	Confident	38 Å²	38	44.7 Å²	44.7	31%	0.314	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-54.5	148.3	171.9	0	0	0	0	0	113.5	A962 P963 L964	A962-A966 HydrophobicContact CB-CB 3.82Å; P963-A966 HydrophobicContact CG-CB 4.06Å; P963-A966 VanDerWaalsContact O-CB 3.23Å; P963-A966 WeakPolarHBondContact O-CB 3.44Å; P963-A966 PolarHBondContact O-N 2.77Å; P963-A966 VanDerWaalsContact O-N 3.15Å; L964-A966 VanDerWaalsContact C-N 3.33Å
967	P	69.7	Low	80.5	Confident	104 Å²	104	43.5 Å²	43.5	68%	0.675	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-64.3	158.4	177.8	27.1	-35.2	0	0	0	112.8	S969	P967-S969 PolarHBondContact O-N 2.71Å
968	P	79.6	Confident	81.1	Confident	38 Å²	38	36.4 Å²	36.4	25%	0.247	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-56.4	125.7	176.3	-25.5	35.4	0	0	0	112.7	K1029 C1033	P968-K1029 HydrophobicContact CG-CG 4.14Å; P968-C1033 WeakPolarHBondContact CB-O 3.2Å
969	S	85.3	Confident	81.6	Confident	28 Å²	28	33.8 Å²	33.8	20%	0.196	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-89.2	132.4	-179.3	176.1	0	0	0	0	112.3	G959 P967 H971 Y972 T973	G959-S969 WeakPolarHBondContact CA-OG 3.45Å; G959-S969 PolarHBondContact N-OG 2.78Å; P967-S969 PolarHBondContact O-N 2.71Å; S969-H971 VanDerWaalsContact C-N 3.3Å; S969-H971 PolarHBondContact O-N 3.18Å; S969-H971 PolarHBondContact OG-N 2.84Å; S969-Y972 PolarHBondContact O-N 3.46Å; S969-T973 PolarHBondContact O-N 2.8Å; S969-T973 PolarHBondContact O-OG1 2.98Å
970	E	87.7	Confident	82.4	Confident	66 Å²	66	33.7 Å²	33.7	31%	0.308	19%	0.192	S	C	.	.	H	α-helix	trans	-58	-42.5	172.6	-169.1	175.4	-159.3	0	0	111.6	I956 Y972 T973 I974 S1034 Q1040	I956-E970 HydrophobicContact CD1-CG 4.47Å; I956-E970 WeakPolarHBondContact CG2-OE2 3.34Å; E970-Y972 PolarHBondContact O-N 3.14Å; E970-T973 PolarHBondContact O-N 3.45Å; E970-I974 HydrophobicContact CG-CD1 4.39Å; E970-I974 WeakPolarHBondContact O-CG1 3.17Å; E970-I974 PolarHBondContact O-N 2.81Å; E970-S1034 WeakPolarHBondContact CA-OG 3.45Å; E970-S1034 PolarHBondContact N-OG 3.15Å; E970-Q1040 PolarHBondContact OE1-NE2 3Å; E970-Q1040 PolarHBondContact OE1-OE1 3.24Å
971	H	90.2	Very high	83.1	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-56.8	-47.2	177.5	179.6	-141.1	0	0	0	112.6	L946 L947 G950 E951 I956 G959 R960 S969 V975	L946-H971 PolarHBondContact O-NE2 3.49Å; L947-H971 VanDerWaalsContact C-CE1 3.43Å; L947-H971 PolarHBondContact O-CE1 2.94Å; L947-H971 PolarHBondContact O-NE2 2.81Å; G950-H971 VanDerWaalsContact CA-NE2 3.33Å; G950-H971 WeakPolarHBondContact CA-NE2 3.24Å; G950-H971 PolarHBondContact N-NE2 3.06Å; E951-H971 IonicContact OE2-CE1 3.8Å; I956-H971 HydrophobicContact CD1-CB 3.94Å; I956-H971 HydrophobicContact CG1-CB 4.41Å; G959-H971 PolarHBondContact N-ND1 3.05Å; R960-H971 VanDerWaalsContact CD-CE1 3.46Å; R960-H971 WeakPolarHBondContact CD-CE1 3.33Å; R960-H971 VanDerWaalsContact CG-CE1 3.42Å; R960-H971 WeakPolarHBondContact CG-CE1 3.26Å; S969-H971 VanDerWaalsContact C-N 3.3Å; S969-H971 PolarHBondContact O-N 3.18Å; S969-H971 PolarHBondContact OG-N 2.84Å; H971-V975 WeakPolarHBondContact O-CG2 3.37Å; H971-V975 PolarHBondContact O-N 3.07Å
972	Y	89.5	Confident	84.3	Confident	20 Å²	20	24.9 Å²	24.9	8%	0.078	15%	0.151	C	C	.	.	H	α-helix	trans	-73.4	-29.4	175.3	-74.5	-1.8	0	0	0	112.8	P881 L947 G959 R960 S969 E970 V975 F976	P881-Y972 HydrophobicContact CB-CE1 4.46Å; L947-Y972 HydrophobicContact CD1-CD1 4.34Å; L947-Y972 HydrophobicContact CD1-CE1 3.7Å; G959-Y972 WeakPolarHBondContact O-CE2 3.32Å; G959-Y972 VanDerWaalsContact O-CZ 3.27Å; G959-Y972 PolarHBondContact O-OH 3.46Å; R960-Y972 WeakPolarHBondContact CA-OH 3.44Å; R960-Y972 HydrophobicContact CG-CE1 4.23Å; S969-Y972 PolarHBondContact O-N 3.46Å; E970-Y972 PolarHBondContact O-N 3.14Å; Y972-V975 PolarHBondContact O-N 3.06Å; Y972-F976 WeakPolarHBondContact O-CB 3.35Å; Y972-F976 PolarHBondContact O-N 3.1Å
973	T	92.3	Very high	85.4	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.7	-37.1	175	-47.6	0	0	0	0	111.3	S969 E970 F976 N977 V1024 C1033 S1034 L1036	S969-T973 PolarHBondContact O-N 2.8Å; S969-T973 PolarHBondContact O-OG1 2.98Å; E970-T973 PolarHBondContact O-N 3.45Å; T973-F976 PolarHBondContact O-N 2.68Å; T973-N977 VanDerWaalsContact O-CB 3.24Å; T973-N977 WeakPolarHBondContact O-CB 3.43Å; T973-N977 PolarHBondContact O-N 2.83Å; T973-V1024 HydrophobicContact CG2-CG1 4.19Å; T973-C1033 HydrophobicContact CG2-CB 3.91Å; T973-S1034 PolarHBondContact OG1-N 3.1Å; T973-S1034 VanDerWaalsContact OG1-N 3.14Å; T973-S1034 PolarHBondContact OG1-OG 2.98Å; T973-L1036 HydrophobicContact CG2-CD1 3.48Å; T973-L1036 VanDerWaalsContact CG2-CD1 3.48Å
974	I	93.2	Very high	86.7	Confident	3 Å²	3	20.8 Å²	20.8	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-64.4	-41.7	172.1	-66.1	164.9	0	0	0	111.5	L946 F954 I956 E970 T978 L1036 Q1040	L946-I974 HydrophobicContact CD2-CG2 4.42Å; F954-I974 HydrophobicContact CD2-CD1 4.27Å; F954-I974 HydrophobicContact CE2-CG2 4.18Å; F954-I974 HydrophobicContact CG-CD1 4.34Å; I956-I974 HydrophobicContact CD1-CD1 3.55Å; E970-I974 HydrophobicContact CG-CD1 4.39Å; E970-I974 WeakPolarHBondContact O-CG1 3.17Å; E970-I974 PolarHBondContact O-N 2.81Å; I974-T978 VanDerWaalsContact O-CB 3.3Å; I974-T978 WeakPolarHBondContact O-CB 3.19Å; I974-T978 PolarHBondContact O-N 3.36Å; I974-T978 PolarHBondContact O-OG1 2.97Å; I974-L1036 HydrophobicContact CG1-CD1 4.27Å; I974-L1036 HydrophobicContact CG1-CD2 4.03Å; I974-L1036 HydrophobicContact CG1-CG 4.17Å; I974-Q1040 HydrophobicContact CD1-CB 4.23Å; I974-Q1040 HydrophobicContact CD1-CG 3.79Å; I974-Q1040 HydrophobicContact CG1-CB 4.24Å; I974-Q1040 HydrophobicContact CG1-CG 4.35Å
975	V	93.1	Very high	88.5	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-61	-50.4	175.5	171.6	0	0	0	0	110.8	V943 L946 H971 Y972 F979	V943-V975 HydrophobicContact CG1-CG1 4.15Å; L946-V975 HydrophobicContact CB-CG2 3.87Å; H971-V975 WeakPolarHBondContact O-CG2 3.37Å; H971-V975 PolarHBondContact O-N 3.07Å; Y972-V975 PolarHBondContact O-N 3.06Å; V975-F979 VanDerWaalsContact O-CB 3.27Å; V975-F979 WeakPolarHBondContact O-CB 3.46Å; V975-F979 PolarHBondContact O-N 2.97Å
976	F	93.5	Very high	90.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-49	176.8	164.5	-114.7	0	0	0	112.2	L882 Q886 W889 Y972 T973 F979 V980 I1023 V1024	L882-F976 HydrophobicContact CD2-CB 4.02Å; L882-F976 HydrophobicContact CD2-CD2 4.22Å; Q886-F976 HydrophobicContact CB-CD2 3.87Å; Q886-F976 HydrophobicContact CB-CE2 3.74Å; Q886-F976 HydrophobicContact CB-CZ 4.38Å; Q886-F976 HydrophobicContact CG-CD2 4.06Å; Q886-F976 HydrophobicContact CG-CE1 4.49Å; Q886-F976 HydrophobicContact CG-CE2 3.99Å; Q886-F976 HydrophobicContact CG-CG 4.33Å; Q886-F976 HydrophobicContact CG-CZ 4.22Å; W889-F976 AromaticContact CD1-CZ 3.72Å; Y972-F976 WeakPolarHBondContact O-CB 3.35Å; Y972-F976 PolarHBondContact O-N 3.1Å; T973-F976 PolarHBondContact O-N 2.68Å; F976-F979 WeakPolarHBondContact O-CB 3.22Å; F976-F979 PolarHBondContact O-N 3.14Å; F976-V980 HydrophobicContact CD2-CG2 4Å; F976-V980 HydrophobicContact CE2-CG2 3.6Å; F976-V980 HydrophobicContact CZ-CG2 4.12Å; F976-V980 PolarHBondContact O-N 2.98Å; F976-I1023 HydrophobicContact CE1-CG2 4.2Å; F976-I1023 HydrophobicContact CZ-CG2 4.39Å; F976-V1024 HydrophobicContact CE1-CG2 4.27Å
977	N	95.3	Very high	91.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.1	-44.4	-177.4	-166.2	35.6	0	0	0	112.1	T973 F979 V980 L981 Q1020 V1024 L1036 W1041	T973-N977 VanDerWaalsContact O-CB 3.24Å; T973-N977 WeakPolarHBondContact O-CB 3.43Å; T973-N977 PolarHBondContact O-N 2.83Å; N977-F979 VanDerWaalsContact C-N 3.3Å; N977-F979 PolarHBondContact O-N 3.15Å; N977-V980 PolarHBondContact O-N 2.74Å; N977-L981 WeakPolarHBondContact O-CB 3.23Å; N977-L981 VanDerWaalsContact O-CG 3.29Å; N977-L981 WeakPolarHBondContact O-CG 3.35Å; N977-L981 PolarHBondContact O-N 3.47Å; N977-Q1020 WeakPolarHBondContact OD1-CG 3.48Å; N977-Q1020 PolarHBondContact OD1-NE2 3.22Å; N977-Q1020 VanDerWaalsContact OD1-NE2 3.07Å; N977-V1024 HydrophobicContact CB-CG2 4.22Å; N977-L1036 HydrophobicContact CB-CD2 4.29Å; N977-W1041 WeakPolarHBondContact ND2-CH2 3.46Å; N977-W1041 WeakPolarHBondContact ND2-CZ3 3.43Å; N977-W1041 WeakPolarHBondContact OD1-CH2 3.42Å; N977-W1041 WeakPolarHBondContact OD1-CZ3 3.38Å
978	T	95.6	Very high	92.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.9	-40.5	175	-55.3	0	0	0	0	111.1	V942 L946 I974 M982 S1044 L1047	V942-T978 HydrophobicContact CG1-CG2 4.06Å; L946-T978 HydrophobicContact CD1-CG2 3.8Å; I974-T978 VanDerWaalsContact O-CB 3.3Å; I974-T978 WeakPolarHBondContact O-CB 3.19Å; I974-T978 PolarHBondContact O-N 3.36Å; I974-T978 PolarHBondContact O-OG1 2.97Å; T978-M982 WeakPolarHBondContact O-CB 3.45Å; T978-M982 PolarHBondContact O-N 3.29Å; T978-S1044 PolarHBondContact OG1-OG 3.18Å; T978-L1047 HydrophobicContact CG2-CB 3.77Å; T978-L1047 HydrophobicContact CG2-CD1 4.04Å
979	F	95.2	Very high	93.2	Very high	1 Å²	1	9.9 Å²	9.9	0%	0.004	5%	0.049	C	C	.	.	H	α-helix	trans	-60	-50.3	176.2	178.7	-101.7	0	0	0	112.1	V862 V865 A866 L882 V890 V943 V975 F976 N977 M982 Q983	V862-F979 HydrophobicContact CG1-CZ 4.23Å; V865-F979 HydrophobicContact CB-CE2 4.38Å; V865-F979 HydrophobicContact CG1-CD2 4.48Å; V865-F979 HydrophobicContact CG1-CE2 3.79Å; A866-F979 HydrophobicContact CB-CZ 4.18Å; L882-F979 HydrophobicContact CD1-CD1 4.18Å; L882-F979 HydrophobicContact CD1-CE1 4.2Å; V890-F979 HydrophobicContact CG1-CE1 3.93Å; V890-F979 HydrophobicContact CG2-CD1 4.18Å; V890-F979 HydrophobicContact CG2-CE1 3.86Å; V943-F979 HydrophobicContact CG2-CD2 4.11Å; V975-F979 VanDerWaalsContact O-CB 3.27Å; V975-F979 WeakPolarHBondContact O-CB 3.46Å; V975-F979 PolarHBondContact O-N 2.97Å; F976-F979 WeakPolarHBondContact O-CB 3.22Å; F976-F979 PolarHBondContact O-N 3.14Å; N977-F979 VanDerWaalsContact C-N 3.3Å; N977-F979 PolarHBondContact O-N 3.15Å; F979-M982 PolarHBondContact O-N 3.44Å; F979-Q983 HydrophobicContact CE1-CG 4.37Å; F979-Q983 HydrophobicContact CZ-CG 4.38Å; F979-Q983 VanDerWaalsContact CZ-NE2 3.32Å; F979-Q983 WeakPolarHBondContact O-CG 3.32Å; F979-Q983 PolarHBondContact O-N 3.04Å
980	V	95	Very high	93.6	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.018	4%	0.04	C	C	.	.	H	α-helix	trans	-63.7	-47	179.7	175.5	0	0	0	0	111.9	V890 I893 F976 N977 M982 Q983 L984 Q1020	V890-V980 HydrophobicContact CG2-CG2 4.15Å; I893-V980 HydrophobicContact CD1-CG1 3.84Å; F976-V980 HydrophobicContact CD2-CG2 4Å; F976-V980 HydrophobicContact CE2-CG2 3.6Å; F976-V980 HydrophobicContact CZ-CG2 4.12Å; F976-V980 PolarHBondContact O-N 2.98Å; N977-V980 PolarHBondContact O-N 2.74Å; V980-M982 VanDerWaalsContact C-N 3.28Å; V980-M982 PolarHBondContact O-N 3.13Å; V980-Q983 PolarHBondContact O-N 2.89Å; V980-L984 HydrophobicContact CG1-CD1 4.48Å; V980-L984 PolarHBondContact O-N 3.36Å; V980-Q1020 HydrophobicContact CB-CG 4.44Å; V980-Q1020 HydrophobicContact CG1-CG 4Å
981	L	95.8	Very high	93.8	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-60.3	-39.5	177.4	-67.9	176.4	0	0	0	111.8	N977 Q983 L984 F985 F1017 W1041 I1045	N977-L981 WeakPolarHBondContact O-CB 3.23Å; N977-L981 VanDerWaalsContact O-CG 3.29Å; N977-L981 WeakPolarHBondContact O-CG 3.35Å; N977-L981 PolarHBondContact O-N 3.47Å; L981-Q983 VanDerWaalsContact C-N 3.28Å; L981-Q983 PolarHBondContact O-N 2.88Å; L981-L984 HydrophobicContact CD2-CD1 4.44Å; L981-L984 PolarHBondContact O-N 3.49Å; L981-F985 WeakPolarHBondContact O-CD2 3.29Å; L981-F985 PolarHBondContact O-N 3.48Å; L981-F1017 HydrophobicContact CD2-CD2 3.55Å; L981-F1017 HydrophobicContact CD2-CE2 3.59Å; L981-W1041 HydrophobicContact CD1-CE3 4.37Å; L981-W1041 HydrophobicContact CD1-CZ3 4.16Å; L981-I1045 HydrophobicContact CD1-CG1 3.84Å
982	M	96.2	Very high	93.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-68.5	-23.3	176.1	-172.6	166.8	53.5	0	0	113.1	Y938 Q939 V942 V943 T978 F979 V980 N986 T1051	Y938-M982 HydrophobicContact CD1-SD 3.92Å; Y938-M982 HydrophobicContact CE1-SD 3.74Å; Q939-M982 HydrophobicContact CB-CE 3.69Å; Q939-M982 HydrophobicContact CB-SD 4.12Å; Q939-M982 HydrophobicContact CG-CE 3.76Å; Q939-M982 HydrophobicContact CG-CG 3.92Å; Q939-M982 HydrophobicContact CG-SD 3.71Å; V942-M982 HydrophobicContact CB-CE 4.39Å; V942-M982 HydrophobicContact CB-SD 4.3Å; V942-M982 HydrophobicContact CG1-CE 4.37Å; V942-M982 HydrophobicContact CG1-SD 4.36Å; V943-M982 HydrophobicContact CG2-CE 3.96Å; T978-M982 WeakPolarHBondContact O-CB 3.45Å; T978-M982 PolarHBondContact O-N 3.29Å; F979-M982 PolarHBondContact O-N 3.44Å; V980-M982 VanDerWaalsContact C-N 3.28Å; V980-M982 PolarHBondContact O-N 3.13Å; M982-N986 VanDerWaalsContact O-CB 3.23Å; M982-N986 WeakPolarHBondContact O-CB 3.05Å; M982-N986 PolarHBondContact O-N 3.46Å; M982-T1051 HydrophobicContact CG-CG2 4.44Å
983	Q	94.7	Very high	93.6	Very high	8 Å²	8	7 Å²	7	4%	0.037	3%	0.033	C	C	.	.	H	α-helix	trans	-75.2	-45.6	166	-55.3	-44.9	-17.4	0	0	112.2	F858 V862 F979 V980 L981 F985 N986 E987	F858-Q983 HydrophobicContact CE2-CB 4.22Å; F858-Q983 VanDerWaalsContact CE2-O 3.3Å; F858-Q983 WeakPolarHBondContact CE2-O 3.3Å; F858-Q983 HydrophobicContact CZ-CB 4.14Å; V862-Q983 HydrophobicContact CG1-CG 4.29Å; V862-Q983 HydrophobicContact CG2-CG 4.18Å; F979-Q983 HydrophobicContact CE1-CG 4.37Å; F979-Q983 HydrophobicContact CZ-CG 4.38Å; F979-Q983 VanDerWaalsContact CZ-NE2 3.32Å; F979-Q983 WeakPolarHBondContact O-CG 3.32Å; F979-Q983 PolarHBondContact O-N 3.04Å; V980-Q983 PolarHBondContact O-N 2.89Å; L981-Q983 VanDerWaalsContact C-N 3.28Å; L981-Q983 PolarHBondContact O-N 2.88Å; Q983-F985 VanDerWaalsContact C-N 3.28Å; Q983-F985 PolarHBondContact O-N 2.91Å; Q983-N986 CarbonylContact O-C 3.52Å; Q983-N986 WeakPolarHBondContact O-CA 3.33Å; Q983-N986 WeakPolarHBondContact O-CB 3.21Å; Q983-N986 PolarHBondContact O-N 3.26Å; Q983-E987 PolarHBondContact O-N 2.87Å
984	L	94.6	Very high	93.2	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.031	5%	0.05	C	C	.	.	H	α-helix	trans	-57.2	-40.1	178.4	-69.9	171.9	0	0	0	112.5	V980 L981 E987 T1016 F1017	V980-L984 HydrophobicContact CG1-CD1 4.48Å; V980-L984 PolarHBondContact O-N 3.36Å; L981-L984 HydrophobicContact CD2-CD1 4.44Å; L981-L984 PolarHBondContact O-N 3.49Å; L984-E987 WeakPolarHBondContact O-CB 3.23Å; L984-E987 PolarHBondContact O-N 2.97Å; L984-T1016 HydrophobicContact CD1-CG2 4.3Å; L984-T1016 HydrophobicContact CD2-CG2 3.77Å; L984-F1017 HydrophobicContact CD1-CB 4.18Å
985	F	95.4	Very high	92.2	Very high	41 Å²	41	12.7 Å²	12.7	18%	0.18	7%	0.07	C	C	.	.	H	α-helix	trans	-72.9	-31.3	172.7	-69.7	-60.7	0	0	0	113.2	L981 Q983 E987 I988 N989 G1048 T1051 L1052	L981-F985 WeakPolarHBondContact O-CD2 3.29Å; L981-F985 PolarHBondContact O-N 3.48Å; Q983-F985 VanDerWaalsContact C-N 3.28Å; Q983-F985 PolarHBondContact O-N 2.91Å; F985-E987 VanDerWaalsContact C-N 3.33Å; F985-I988 HydrophobicContact CD1-CD1 4.32Å; F985-I988 PolarHBondContact O-N 3.42Å; F985-N989 PolarHBondContact O-N 2.89Å; F985-G1048 WeakPolarHBondContact CB-O 3.14Å; F985-G1048 WeakPolarHBondContact CD2-O 3.27Å; F985-T1051 HydrophobicContact CB-CG2 3.6Å; F985-L1052 HydrophobicContact CB-CD2 4.1Å; F985-L1052 HydrophobicContact CB-CG 4.08Å; F985-L1052 HydrophobicContact CD1-CD1 3.82Å; F985-L1052 HydrophobicContact CD1-CD2 4.48Å; F985-L1052 HydrophobicContact CD1-CG 4.2Å; F985-L1052 HydrophobicContact CE1-CD1 4.39Å; F985-L1052 HydrophobicContact CG-CD1 4.48Å; F985-L1052 HydrophobicContact CG-CG 4.43Å; F985-L1052 WeakPolarHBondContact O-CD2 3.49Å
986	N	94.4	Very high	91.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-68.6	-30.1	173	-173.1	41.1	0	0	0	112.6	F858 M982 Q983 I988 N989 A990 T1051	F858-N986 HydrophobicContact CE2-CB 4.34Å; M982-N986 VanDerWaalsContact O-CB 3.23Å; M982-N986 WeakPolarHBondContact O-CB 3.05Å; M982-N986 PolarHBondContact O-N 3.46Å; Q983-N986 CarbonylContact O-C 3.52Å; Q983-N986 WeakPolarHBondContact O-CA 3.33Å; Q983-N986 WeakPolarHBondContact O-CB 3.21Å; Q983-N986 PolarHBondContact O-N 3.26Å; N986-I988 VanDerWaalsContact C-N 3.29Å; N986-I988 PolarHBondContact O-N 3.47Å; N986-N989 WeakPolarHBondContact O-CB 3.37Å; N986-N989 PolarHBondContact O-N 3.5Å; N986-N989 VanDerWaalsContact O-N 3.16Å; N986-A990 WeakPolarHBondContact O-CB 3.25Å; N986-A990 PolarHBondContact O-N 2.94Å; N986-T1051 HydrophobicContact CB-CG2 4.29Å
987	E	94	Very high	91.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-39.9	174.8	-155.6	-169.8	156.5	0	0	111.3	F858 A898 A901 L902 Q983 L984 F985 A990 R991 F1009	F858-E987 HydrophobicContact CD1-CG 4.3Å; F858-E987 HydrophobicContact CD2-CB 4.14Å; F858-E987 HydrophobicContact CD2-CG 4.32Å; F858-E987 HydrophobicContact CE1-CG 4.1Å; F858-E987 HydrophobicContact CE2-CB 3.76Å; F858-E987 HydrophobicContact CE2-CG 4.16Å; F858-E987 HydrophobicContact CG-CG 4.39Å; F858-E987 HydrophobicContact CZ-CB 3.95Å; F858-E987 HydrophobicContact CZ-CG 4.03Å; A898-E987 HydrophobicContact CB-CG 4.38Å; A901-E987 VanDerWaalsContact CB-OE1 3.31Å; A901-E987 WeakPolarHBondContact CB-OE1 3.47Å; L902-E987 HydrophobicContact CD1-CG 4.05Å; L902-E987 HydrophobicContact CD2-CG 4.32Å; L902-E987 HydrophobicContact CG-CG 4.24Å; Q983-E987 PolarHBondContact O-N 2.87Å; L984-E987 WeakPolarHBondContact O-CB 3.23Å; L984-E987 PolarHBondContact O-N 2.97Å; F985-E987 VanDerWaalsContact C-N 3.33Å; E987-A990 PolarHBondContact O-N 2.92Å; E987-R991 PolarHBondContact O-N 2.86Å; E987-F1009 HydrophobicContact CG-CE2 4.02Å
988	I	93.8	Very high	90.9	Very high	16 Å²	16	27.8 Å²	27.8	8%	0.082	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-42.7	174.5	-58.9	172.7	0	0	0	111	F985 N986 A990 R991 V999 F1000 I1003 F1009 L1052	F985-I988 HydrophobicContact CD1-CD1 4.32Å; F985-I988 PolarHBondContact O-N 3.42Å; N986-I988 VanDerWaalsContact C-N 3.29Å; N986-I988 PolarHBondContact O-N 3.47Å; I988-A990 VanDerWaalsContact C-N 3.34Å; I988-R991 WeakPolarHBondContact O-CB 3.33Å; I988-R991 PolarHBondContact O-N 3.33Å; I988-V999 HydrophobicContact CG2-CB 4.17Å; I988-V999 HydrophobicContact CG2-CG2 4.04Å; I988-F1000 HydrophobicContact CG2-CD1 4.38Å; I988-F1000 HydrophobicContact CG2-CE1 4.16Å; I988-I1003 HydrophobicContact CG2-CD1 4.43Å; I988-F1009 HydrophobicContact CG1-CE1 4.23Å; I988-F1009 HydrophobicContact CG1-CZ 3.98Å; I988-L1052 HydrophobicContact CB-CD2 4.23Å; I988-L1052 HydrophobicContact CG2-CD2 4.38Å
989	N	93.2	Very high	90.6	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.048	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-40.8	173.1	-72.2	-34.2	0	0	0	111.7	H935 F985 N986 R991 K992 T1051	H935-N989 PolarHBondContact CE1-ND2 3.47Å; F985-N989 PolarHBondContact O-N 2.89Å; N986-N989 WeakPolarHBondContact O-CB 3.37Å; N986-N989 PolarHBondContact O-N 3.5Å; N986-N989 VanDerWaalsContact O-N 3.16Å; N989-R991 PolarHBondContact O-N 3.02Å; N989-R991 VanDerWaalsContact O-N 3.16Å; N989-K992 PolarHBondContact O-N 2.83Å; N989-K992 VanDerWaalsContact O-N 3.08Å; N989-T1051 PolarHBondContact ND2-O 3.09Å
990	A	92.2	Very high	90.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-17.7	-176.3	0	0	0	0	0	114.2	K854 F858 L902 N986 E987 I988 K992	K854-A990 WeakPolarHBondContact CB-O 3.14Å; K854-A990 WeakPolarHBondContact CG-O 3.46Å; F858-A990 HydrophobicContact CB-CB 3.73Å; F858-A990 HydrophobicContact CD2-CB 4.36Å; F858-A990 HydrophobicContact CG-CB 4.43Å; L902-A990 HydrophobicContact CD1-CB 4.46Å; N986-A990 WeakPolarHBondContact O-CB 3.25Å; N986-A990 PolarHBondContact O-N 2.94Å; E987-A990 PolarHBondContact O-N 2.92Å; I988-A990 VanDerWaalsContact C-N 3.34Å; A990-K992 PolarHBondContact O-N 3.44Å; A990-K992 VanDerWaalsContact O-N 3.13Å
991	R	91.9	Very high	89.9	Confident	14 Å²	14	38.4 Å²	38.4	5%	0.053	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.8	169.3	-64.9	-176.3	70.4	-118.5	0.6	113.5	K854 L902 E905 E987 I988 N989 V999 E1001 F1009	K854-R991 WeakPolarHBondContact CD-O 3.1Å; L902-R991 HydrophobicContact CD2-CG 3.86Å; E905-R991 VanDerWaalsContact CD-NH2 3.27Å; E905-R991 IonicContact OE1-CZ 3.12Å; E905-R991 IonicContact OE1-NE 2.62Å; E905-R991 PolarHBondContact OE1-NE 3.32Å; E905-R991 IonicContact OE1-NH2 2.7Å; E905-R991 PolarHBondContact OE1-NH2 3.24Å; E905-R991 VanDerWaalsContact OE1-NH2 3.08Å; E905-R991 IonicContact OE2-CZ 2.71Å; E905-R991 IonicContact OE2-NE 2.74Å; E905-R991 IonicContact OE2-NH2 2.63Å; E905-R991 PolarHBondContact OE2-NH2 3.34Å; E987-R991 PolarHBondContact O-N 2.86Å; I988-R991 WeakPolarHBondContact O-CB 3.33Å; I988-R991 PolarHBondContact O-N 3.33Å; N989-R991 PolarHBondContact O-N 3.02Å; N989-R991 VanDerWaalsContact O-N 3.16Å; R991-V999 PolarHBondContact NH1-O 2.72Å; R991-E1001 PolarHBondContact NH1-O 2.69Å; R991-E1001 PolarHBondContact NH2-O 3.49Å; R991-F1009 HydrophobicContact CG-CE2 4Å; R991-F1009 HydrophobicContact CG-CZ 4.11Å
992	K	89.7	Confident	89.3	Confident	29 Å²	29	39.8 Å²	39.8	13%	0.126	20%	0.2	C	C	.	.			trans	-119.2	111.3	-174.6	-62.6	-59.1	-154.1	167.3	0	112.3	N989 A990 E996 N998 V999 E1001	N989-K992 PolarHBondContact O-N 2.83Å; N989-K992 VanDerWaalsContact O-N 3.08Å; A990-K992 PolarHBondContact O-N 3.44Å; A990-K992 VanDerWaalsContact O-N 3.13Å; K992-E996 HydrophobicContact CB-CB 4.3Å; K992-E996 HydrophobicContact CD-CB 4Å; K992-E996 WeakPolarHBondContact CD-OE2 3.35Å; K992-E996 WeakPolarHBondContact CE-OE2 3.38Å; K992-E996 HydrophobicContact CG-CB 4.31Å; K992-E996 IonicContact NZ-OE2 2.71Å; K992-E996 PolarHBondContact NZ-OE2 3.29Å; K992-N998 WeakPolarHBondContact CE-O 3.5Å; K992-V999 HydrophobicContact CG-CG1 4.2Å; K992-E1001 IonicContact NZ-OE2 2.87Å; K992-E1001 PolarHBondContact NZ-OE2 2.87Å
993	I	86.8	Confident	88.9	Confident	13 Å²	13	40.7 Å²	40.7	7%	0.067	21%	0.205	C	C	.	.			trans	-107.8	-17.8	-174	58.9	175	0	0	0	115	D850 K854 T927	D850-I993 HydrophobicContact CB-CD1 4.18Å; K854-I993 HydrophobicContact CB-CG2 4.49Å; K854-I993 HydrophobicContact CG-CG2 4.03Å; T927-I993 PolarHBondContact OG1-O 3.46Å
994	H	82.9	Confident	88.7	Confident	81 Å²	81	49 Å²	49	38%	0.375	24%	0.241	S	C	.	.	S	Bend	trans	-96.3	14.7	-174.7	-66.8	107.4	0	0	0	114.6	D850 R914 Y917	D850-H994 IonicContact OD1-CE1 2.67Å; D850-H994 IonicContact OD2-CE1 2.61Å; D850-H994 PolarHBondContact OD2-CE1 2.94Å; D850-H994 IonicContact OD2-ND1 2.68Å; R914-H994 PolarHBondContact NH1-CE1 2.99Å; Y917-H994 PolarHBondContact OH-CE1 3.31Å; Y917-H994 PolarHBondContact OH-NE2 3.28Å
995	G	73.4	Confident	88.3	Confident	42 Å²	42	54.6 Å²	54.6	43%	0.433	27%	0.271	S	S	.	.	S	Bend	trans	82.9	13.4	-178.2	0	0	0	0	0	114.6
996	E	82.5	Confident	87.9	Confident	74 Å²	74	52.7 Å²	52.7	35%	0.346	26%	0.263	S	S	.	.			trans	-63.8	133	171.5	-63	156.8	-107.2	0	0	110.5	K992	K992-E996 HydrophobicContact CB-CB 4.3Å; K992-E996 HydrophobicContact CD-CB 4Å; K992-E996 WeakPolarHBondContact CD-OE2 3.35Å; K992-E996 WeakPolarHBondContact CE-OE2 3.38Å; K992-E996 HydrophobicContact CG-CB 4.31Å; K992-E996 IonicContact NZ-OE2 2.71Å; K992-E996 PolarHBondContact NZ-OE2 3.29Å
997	R	84.1	Confident	87.6	Confident	153 Å²	153	55.9 Å²	55.9	58%	0.577	29%	0.289	S	S	*	.	S	Bend	trans	-83.2	-35.5	-177.5	-71.9	-169	-179.5	171.9	5.7	114.4	V999 Q1056 S1059	R997-V999 PolarHBondContact O-N 3.24Å; R997-Q1056 PolarHBondContact O-NE2 3.47Å; R997-Q1056 PolarHBondContact O-OE1 2.93Å; R997-S1059 PolarHBondContact NE-OG 3.3Å
998	N	88.3	Confident	87.5	Confident	90 Å²	90	58.5 Å²	58.5	48%	0.481	30%	0.303	S	S	.	.			trans	-80.8	87.2	-174	-170.3	1.8	0	0	0	111.8	K992 F1000 E1001	K992-N998 WeakPolarHBondContact CE-O 3.5Å; N998-F1000 VanDerWaalsContact C-N 3.27Å; N998-F1000 PolarHBondContact O-N 3.01Å; N998-F1000 PolarHBondContact OD1-N 2.94Å; N998-E1001 HydrophobicContact CB-CB 4.15Å; N998-E1001 VanDerWaalsContact O-CB 3.28Å; N998-E1001 WeakPolarHBondContact O-CB 3.4Å; N998-E1001 PolarHBondContact O-N 2.86Å; N998-E1001 PolarHBondContact OD1-N 3.15Å
999	V	88.5	Confident	87.4	Confident	8 Å²	8	57.9 Å²	57.9	5%	0.048	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.2	179.7	-63	0	0	0	0	113.7	I988 R991 K992 R997 E1001	I988-V999 HydrophobicContact CG2-CB 4.17Å; I988-V999 HydrophobicContact CG2-CG2 4.04Å; R991-V999 PolarHBondContact NH1-O 2.72Å; K992-V999 HydrophobicContact CG-CG1 4.2Å; R997-V999 PolarHBondContact O-N 3.24Å; V999-E1001 VanDerWaalsContact C-N 3.34Å
1000	F	89.6	Confident	87.4	Confident	114 Å²	114	58.7 Å²	58.7	50%	0.5	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-8.1	178	-57.2	-69.8	0	0	0	113.5	I988 N998 G1002 I1003 L1052	I988-F1000 HydrophobicContact CG2-CD1 4.38Å; I988-F1000 HydrophobicContact CG2-CE1 4.16Å; N998-F1000 VanDerWaalsContact C-N 3.27Å; N998-F1000 PolarHBondContact O-N 3.01Å; N998-F1000 PolarHBondContact OD1-N 2.94Å; F1000-G1002 PolarHBondContact O-N 3.49Å; F1000-I1003 HydrophobicContact CD1-CD1 4.3Å; F1000-I1003 WeakPolarHBondContact O-CB 3.47Å; F1000-I1003 VanDerWaalsContact O-CG2 3.26Å; F1000-I1003 WeakPolarHBondContact O-CG2 3.31Å; F1000-I1003 PolarHBondContact O-N 3.21Å; F1000-L1052 HydrophobicContact CZ-CD1 4.24Å
1001	E	86.6	Confident	87.5	Confident	105 Å²	105	63.4 Å²	63.4	49%	0.491	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	126.5	178.8	-169.2	179.4	-151.5	0	0	111.3	R991 K992 N998 V999 I1003	R991-E1001 PolarHBondContact NH1-O 2.69Å; R991-E1001 PolarHBondContact NH2-O 3.49Å; K992-E1001 IonicContact NZ-OE2 2.87Å; K992-E1001 PolarHBondContact NZ-OE2 2.87Å; N998-E1001 HydrophobicContact CB-CB 4.15Å; N998-E1001 VanDerWaalsContact O-CB 3.28Å; N998-E1001 WeakPolarHBondContact O-CB 3.4Å; N998-E1001 PolarHBondContact O-N 2.86Å; N998-E1001 PolarHBondContact OD1-N 3.15Å; V999-E1001 VanDerWaalsContact C-N 3.34Å; E1001-I1003 PolarHBondContact O-N 2.68Å; E1001-I1003 VanDerWaalsContact O-N 3.09Å
1002	G	82.6	Confident	87.5	Confident	30 Å²	30	64.1 Å²	64.1	31%	0.309	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	12.3	178.5	0	0	0	0	0	115.7	F1000 F1004 N1005	F1000-G1002 PolarHBondContact O-N 3.49Å; G1002-F1004 VanDerWaalsContact C-N 3.31Å; G1002-F1004 PolarHBondContact O-N 3.13Å; G1002-N1005 VanDerWaalsContact O-CB 3.23Å; G1002-N1005 WeakPolarHBondContact O-CB 3.41Å; G1002-N1005 PolarHBondContact O-N 3.08Å
1003	I	88.5	Confident	87.6	Confident	20 Å²	20	63.7 Å²	63.7	10%	0.103	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-56.4	-42.5	-173.4	-164.7	168.5	0	0	0	112.7	I988 F1000 E1001 N1005 N1006 F1009 C1010	I988-I1003 HydrophobicContact CG2-CD1 4.43Å; F1000-I1003 HydrophobicContact CD1-CD1 4.3Å; F1000-I1003 WeakPolarHBondContact O-CB 3.47Å; F1000-I1003 VanDerWaalsContact O-CG2 3.26Å; F1000-I1003 WeakPolarHBondContact O-CG2 3.31Å; F1000-I1003 PolarHBondContact O-N 3.21Å; E1001-I1003 PolarHBondContact O-N 2.68Å; E1001-I1003 VanDerWaalsContact O-N 3.09Å; I1003-N1005 PolarHBondContact O-N 3.39Å; I1003-N1006 PolarHBondContact O-N 2.7Å; I1003-F1009 HydrophobicContact CD1-CD1 4.48Å; I1003-F1009 HydrophobicContact CD1-CE1 3.98Å; I1003-F1009 HydrophobicContact CG1-CD1 4.04Å; I1003-F1009 HydrophobicContact CG1-CE1 4.01Å; I1003-C1010 PolarHBondContact O-SG 2.99Å; I1003-C1010 VanDerWaalsContact O-SG 3.38Å
1004	F	89.4	Confident	88	Confident	181 Å²	181	68.6 Å²	68.6	79%	0.794	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-70.6	-11	178.5	-57.2	-67.5	0	0	0	114.5	G1002 N1006	G1002-F1004 VanDerWaalsContact C-N 3.31Å; G1002-F1004 PolarHBondContact O-N 3.13Å; F1004-N1006 PolarHBondContact O-N 2.8Å
1005	N	86.3	Confident	88.6	Confident	124 Å²	124	66.3 Å²	66.3	66%	0.663	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-72	-22	174.6	-60.3	-18.8	0	0	0	111.7	P906 G1002 I1003	P906-N1005 HydrophobicContact CG-CB 4.17Å; G1002-N1005 VanDerWaalsContact O-CB 3.23Å; G1002-N1005 WeakPolarHBondContact O-CB 3.41Å; G1002-N1005 PolarHBondContact O-N 3.08Å; I1003-N1005 PolarHBondContact O-N 3.39Å
1006	N	87	Confident	89.5	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.011	34%	0.344	C	S	.	.			trans	-106.7	85.2	177.1	-170.9	-0.9	0	0	0	110.2	A901 T904 E905 I1003 F1004 I1008 F1009 C1010	A901-N1006 PolarHBondContact O-ND2 3.21Å; T904-N1006 PolarHBondContact OG1-OD1 3.08Å; E905-N1006 PolarHBondContact OE1-ND2 3.26Å; I1003-N1006 PolarHBondContact O-N 2.7Å; F1004-N1006 PolarHBondContact O-N 2.8Å; N1006-I1008 PolarHBondContact O-N 2.97Å; N1006-I1008 WeakPolarHBondContact OD1-CB 3.33Å; N1006-I1008 PolarHBondContact OD1-N 2.92Å; N1006-F1009 HydrophobicContact CB-CB 3.97Å; N1006-F1009 WeakPolarHBondContact ND2-CB 3.34Å; N1006-F1009 PolarHBondContact O-N 3.3Å; N1006-F1009 PolarHBondContact OD1-N 3.3Å; N1006-C1010 PolarHBondContact O-N 2.98Å; N1006-C1010 VanDerWaalsContact O-N 3.12Å; N1006-C1010 PolarHBondContact O-SG 3.37Å
1007	A	89.2	Confident	90.1	Very high	68 Å²	68	64.2 Å²	64.2	56%	0.562	34%	0.341	S	S	*	.	H	α-helix	trans	-60.5	-25.7	177.6	0	0	0	0	0	113.4	T1011	A1007-T1011 WeakPolarHBondContact O-CB 3.48Å; A1007-T1011 PolarHBondContact O-N 3.11Å; A1007-T1011 PolarHBondContact O-OG1 2.73Å
1008	I	90.3	Very high	90.7	Very high	56 Å²	56	60.8 Å²	60.8	29%	0.287	34%	0.337	S	S	.	.	H	α-helix	trans	-67.7	-52.3	175.5	-57.9	174.4	0	0	0	108.9	Y445 L900 T904 N1006 C1010 T1011 I1012	Y445-I1008 HydrophobicContact CE2-CD1 4.04Å; L900-I1008 HydrophobicContact CG-CG2 4.07Å; T904-I1008 HydrophobicContact CG2-CD1 4.05Å; N1006-I1008 PolarHBondContact O-N 2.97Å; N1006-I1008 WeakPolarHBondContact OD1-CB 3.33Å; N1006-I1008 PolarHBondContact OD1-N 2.92Å; I1008-C1010 PolarHBondContact O-N 3.48Å; I1008-T1011 PolarHBondContact O-N 3Å; I1008-I1012 HydrophobicContact CG2-CG1 4.26Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.42Å; I1008-I1012 PolarHBondContact O-N 2.87Å
1009	F	92.4	Very high	90.9	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.009	33%	0.331	C	S	.	.	H	α-helix	trans	-54.8	-48.2	176.1	-178.2	-86.8	0	0	0	112.3	A901 L902 E987 I988 R991 I1003 N1006 T1011 I1012 V1013	A901-F1009 HydrophobicContact CB-CB 4.46Å; A901-F1009 HydrophobicContact CB-CD2 3.88Å; L902-F1009 HydrophobicContact CD2-CD2 4.16Å; L902-F1009 HydrophobicContact CD2-CE2 3.78Å; E987-F1009 HydrophobicContact CG-CE2 4.02Å; I988-F1009 HydrophobicContact CG1-CE1 4.23Å; I988-F1009 HydrophobicContact CG1-CZ 3.98Å; R991-F1009 HydrophobicContact CG-CE2 4Å; R991-F1009 HydrophobicContact CG-CZ 4.11Å; I1003-F1009 HydrophobicContact CD1-CD1 4.48Å; I1003-F1009 HydrophobicContact CD1-CE1 3.98Å; I1003-F1009 HydrophobicContact CG1-CD1 4.04Å; I1003-F1009 HydrophobicContact CG1-CE1 4.01Å; N1006-F1009 HydrophobicContact CB-CB 3.97Å; N1006-F1009 WeakPolarHBondContact ND2-CB 3.34Å; N1006-F1009 PolarHBondContact O-N 3.3Å; N1006-F1009 PolarHBondContact OD1-N 3.3Å; F1009-T1011 VanDerWaalsContact C-N 3.34Å; F1009-T1011 PolarHBondContact O-N 3.46Å; F1009-I1012 PolarHBondContact O-N 3.44Å; F1009-V1013 HydrophobicContact CD1-CG2 4.19Å; F1009-V1013 HydrophobicContact CD2-CG2 4.48Å; F1009-V1013 HydrophobicContact CE1-CG2 3.72Å; F1009-V1013 HydrophobicContact CE2-CG2 4.04Å; F1009-V1013 HydrophobicContact CZ-CG2 3.62Å; F1009-V1013 WeakPolarHBondContact O-CG2 3.5Å; F1009-V1013 PolarHBondContact O-N 3.46Å
1010	C	93.2	Very high	91.3	Very high	27 Å²	27	58.9 Å²	58.9	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-61.4	-41.6	178.8	-63.9	0	0	0	0	112.4	I1003 N1006 I1008 L1014	I1003-C1010 PolarHBondContact O-SG 2.99Å; I1003-C1010 VanDerWaalsContact O-SG 3.38Å; N1006-C1010 PolarHBondContact O-N 2.98Å; N1006-C1010 VanDerWaalsContact O-N 3.12Å; N1006-C1010 PolarHBondContact O-SG 3.37Å; I1008-C1010 PolarHBondContact O-N 3.48Å; C1010-L1014 WeakPolarHBondContact O-CB 3.47Å; C1010-L1014 VanDerWaalsContact O-CG 3.3Å; C1010-L1014 WeakPolarHBondContact O-CG 3.29Å; C1010-L1014 PolarHBondContact O-N 2.86Å
1011	T	93.5	Very high	91.5	Very high	99 Å²	99	56.5 Å²	56.5	61%	0.607	32%	0.32	S	S	*	.	H	α-helix	trans	-67.2	-40.1	177.3	-57.2	0	0	0	0	112.1	A1007 I1008 F1009 G1015	A1007-T1011 WeakPolarHBondContact O-CB 3.48Å; A1007-T1011 PolarHBondContact O-N 3.11Å; A1007-T1011 PolarHBondContact O-OG1 2.73Å; I1008-T1011 PolarHBondContact O-N 3Å; F1009-T1011 VanDerWaalsContact C-N 3.34Å; F1009-T1011 PolarHBondContact O-N 3.46Å; T1011-G1015 WeakPolarHBondContact O-CA 3.46Å; T1011-G1015 PolarHBondContact O-N 3.34Å
1012	I	92.2	Very high	91.8	Very high	28 Å²	28	55.7 Å²	55.7	14%	0.144	32%	0.318	C	S	.	.	H	α-helix	trans	-68.1	-50.6	179.6	-66.8	-68.8	0	0	0	110.9	L897 A901 I1008 F1009 L1014 G1015 T1016	L897-I1012 HydrophobicContact CB-CG2 4.01Å; L897-I1012 HydrophobicContact CD2-CD1 4.14Å; A901-I1012 HydrophobicContact CB-CB 4.07Å; A901-I1012 HydrophobicContact CB-CG1 4.28Å; A901-I1012 HydrophobicContact CB-CG2 4.01Å; I1008-I1012 HydrophobicContact CG2-CG1 4.26Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.42Å; I1008-I1012 PolarHBondContact O-N 2.87Å; F1009-I1012 PolarHBondContact O-N 3.44Å; I1012-L1014 PolarHBondContact O-N 3.09Å; I1012-G1015 PolarHBondContact O-N 2.98Å; I1012-T1016 WeakPolarHBondContact O-CB 3.36Å; I1012-T1016 PolarHBondContact O-N 3.29Å; I1012-T1016 PolarHBondContact O-OG1 3.37Å
1013	V	93.2	Very high	92.3	Very high	20 Å²	20	54.8 Å²	54.8	12%	0.121	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-45.9	-178.5	174.9	0	0	0	0	111.7	F1009 F1017	F1009-V1013 HydrophobicContact CD1-CG2 4.19Å; F1009-V1013 HydrophobicContact CD2-CG2 4.48Å; F1009-V1013 HydrophobicContact CE1-CG2 3.72Å; F1009-V1013 HydrophobicContact CE2-CG2 4.04Å; F1009-V1013 HydrophobicContact CZ-CG2 3.62Å; F1009-V1013 WeakPolarHBondContact O-CG2 3.5Å; F1009-V1013 PolarHBondContact O-N 3.46Å; V1013-F1017 WeakPolarHBondContact O-CB 3.49Å; V1013-F1017 PolarHBondContact O-N 2.66Å; V1013-F1017 VanDerWaalsContact O-N 3.08Å
1014	L	94.6	Very high	92.5	Very high	117 Å²	117	53.9 Å²	53.9	61%	0.613	30%	0.302	S	S	*	.	H	α-helix	trans	-69.6	-39.1	178	-66.4	174.1	0	0	0	112.2	C1010 I1012 F1017 V1018	C1010-L1014 WeakPolarHBondContact O-CB 3.47Å; C1010-L1014 VanDerWaalsContact O-CG 3.3Å; C1010-L1014 WeakPolarHBondContact O-CG 3.29Å; C1010-L1014 PolarHBondContact O-N 2.86Å; I1012-L1014 PolarHBondContact O-N 3.09Å; L1014-F1017 PolarHBondContact O-N 2.94Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.44Å; L1014-V1018 PolarHBondContact O-N 3.49Å
1015	G	94.7	Very high	92.6	Very high	33 Å²	33	47.4 Å²	47.4	34%	0.34	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-47.9	176.7	0	0	0	0	0	111.9	T1011 I1012 F1017 V1018 V1019	T1011-G1015 WeakPolarHBondContact O-CA 3.46Å; T1011-G1015 PolarHBondContact O-N 3.34Å; I1012-G1015 PolarHBondContact O-N 2.98Å; G1015-F1017 VanDerWaalsContact C-N 3.34Å; G1015-F1017 PolarHBondContact O-N 3.25Å; G1015-V1018 PolarHBondContact O-N 3.42Å; G1015-V1019 WeakPolarHBondContact O-CG2 3.4Å; G1015-V1019 PolarHBondContact O-N 2.64Å
1016	T	93.3	Very high	92.8	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-37.7	177.4	-55.1	0	0	0	0	111.9	W889 I893 L984 I1012 V1019 Q1020	W889-T1016 HydrophobicContact CH2-CG2 4.29Å; W889-T1016 HydrophobicContact CZ2-CG2 4.02Å; I893-T1016 HydrophobicContact CD1-CG2 3.52Å; I893-T1016 HydrophobicContact CG1-CG2 3.62Å; I893-T1016 HydrophobicContact CG2-CG2 4.21Å; L984-T1016 HydrophobicContact CD1-CG2 4.3Å; L984-T1016 HydrophobicContact CD2-CG2 3.77Å; I1012-T1016 WeakPolarHBondContact O-CB 3.36Å; I1012-T1016 PolarHBondContact O-N 3.29Å; I1012-T1016 PolarHBondContact O-OG1 3.37Å; T1016-V1019 PolarHBondContact O-N 2.89Å; T1016-Q1020 VanDerWaalsContact O-CB 3.31Å; T1016-Q1020 WeakPolarHBondContact O-CB 3.39Å; T1016-Q1020 PolarHBondContact O-N 3.46Å
1017	F	95.3	Very high	92.5	Very high	66 Å²	66	49.5 Å²	49.5	29%	0.289	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-44.3	172.9	179.5	-106	0	0	0	112.3	L981 L984 V1013 L1014 G1015 Q1020 I1021 I1045	L981-F1017 HydrophobicContact CD2-CD2 3.55Å; L981-F1017 HydrophobicContact CD2-CE2 3.59Å; L984-F1017 HydrophobicContact CD1-CB 4.18Å; V1013-F1017 WeakPolarHBondContact O-CB 3.49Å; V1013-F1017 PolarHBondContact O-N 2.66Å; V1013-F1017 VanDerWaalsContact O-N 3.08Å; L1014-F1017 PolarHBondContact O-N 2.94Å; G1015-F1017 VanDerWaalsContact C-N 3.34Å; G1015-F1017 PolarHBondContact O-N 3.25Å; F1017-Q1020 PolarHBondContact O-N 2.9Å; F1017-I1021 HydrophobicContact CD1-CD1 4.04Å; F1017-I1021 HydrophobicContact CE1-CD1 3.61Å; F1017-I1021 HydrophobicContact CZ-CD1 3.9Å; F1017-I1021 WeakPolarHBondContact O-CG1 3.37Å; F1017-I1021 PolarHBondContact O-N 3.07Å; F1017-I1021 VanDerWaalsContact O-N 3.1Å; F1017-I1045 HydrophobicContact CZ-CD1 4.43Å
1018	V	95.8	Very high	92.2	Very high	80 Å²	80	47.6 Å²	47.6	49%	0.485	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-41.2	176.2	171.2	0	0	0	0	111.9	L1014 G1015 Q1020 I1021 I1022	L1014-V1018 WeakPolarHBondContact O-CG2 3.44Å; L1014-V1018 PolarHBondContact O-N 3.49Å; G1015-V1018 PolarHBondContact O-N 3.42Å; V1018-Q1020 VanDerWaalsContact C-N 3.34Å; V1018-I1021 PolarHBondContact O-N 2.86Å; V1018-I1022 HydrophobicContact CG1-CD1 4.09Å; V1018-I1022 WeakPolarHBondContact O-CG1 3.34Å; V1018-I1022 PolarHBondContact O-N 2.86Å; V1018-I1022 VanDerWaalsContact O-N 3.11Å
1019	V	93.9	Very high	91.8	Very high	59 Å²	59	50.3 Å²	50.3	36%	0.358	28%	0.277	S	S	.	.	H	α-helix	trans	-66.6	-36.4	176.2	176.2	0	0	0	0	111.3	W889 G1015 T1016 I1021 I1022 I1023	W889-V1019 HydrophobicContact CH2-CB 3.92Å; W889-V1019 HydrophobicContact CH2-CG1 3.35Å; W889-V1019 HydrophobicContact CZ2-CB 4.18Å; W889-V1019 HydrophobicContact CZ2-CG1 3.71Å; W889-V1019 HydrophobicContact CZ3-CG1 4.08Å; G1015-V1019 WeakPolarHBondContact O-CG2 3.4Å; G1015-V1019 PolarHBondContact O-N 2.64Å; T1016-V1019 PolarHBondContact O-N 2.89Å; V1019-I1021 PolarHBondContact O-N 2.86Å; V1019-I1022 PolarHBondContact O-N 2.82Å; V1019-I1022 VanDerWaalsContact O-N 3.16Å; V1019-I1023 HydrophobicContact CG1-CD1 3.78Å; V1019-I1023 HydrophobicContact CG1-CG1 4.24Å; V1019-I1023 WeakPolarHBondContact O-CG1 3.21Å; V1019-I1023 PolarHBondContact O-N 3.1Å
1020	Q	94.9	Very high	91.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-40	173.8	-178.1	64	17.9	0	0	112	N977 V980 T1016 F1017 V1018 I1022 I1023 V1024	N977-Q1020 WeakPolarHBondContact OD1-CG 3.48Å; N977-Q1020 PolarHBondContact OD1-NE2 3.22Å; N977-Q1020 VanDerWaalsContact OD1-NE2 3.07Å; V980-Q1020 HydrophobicContact CB-CG 4.44Å; V980-Q1020 HydrophobicContact CG1-CG 4Å; T1016-Q1020 VanDerWaalsContact O-CB 3.31Å; T1016-Q1020 WeakPolarHBondContact O-CB 3.39Å; T1016-Q1020 PolarHBondContact O-N 3.46Å; F1017-Q1020 PolarHBondContact O-N 2.9Å; V1018-Q1020 VanDerWaalsContact C-N 3.34Å; Q1020-I1022 VanDerWaalsContact C-N 3.33Å; Q1020-I1022 PolarHBondContact O-N 3.24Å; Q1020-I1023 PolarHBondContact O-N 3.32Å; Q1020-V1024 WeakPolarHBondContact O-CB 3.3Å; Q1020-V1024 WeakPolarHBondContact O-CG2 3.3Å; Q1020-V1024 PolarHBondContact O-N 2.8Å
1021	I	93.9	Very high	90.7	Very high	63 Å²	63	54.8 Å²	54.8	32%	0.323	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-43.8	172.2	-67.9	165.6	0	0	0	110.8	F1017 V1018 V1019 V1024 Q1025 W1041	F1017-I1021 HydrophobicContact CD1-CD1 4.04Å; F1017-I1021 HydrophobicContact CE1-CD1 3.61Å; F1017-I1021 HydrophobicContact CZ-CD1 3.9Å; F1017-I1021 WeakPolarHBondContact O-CG1 3.37Å; F1017-I1021 PolarHBondContact O-N 3.07Å; F1017-I1021 VanDerWaalsContact O-N 3.1Å; V1018-I1021 PolarHBondContact O-N 2.86Å; V1019-I1021 PolarHBondContact O-N 2.86Å; I1021-V1024 PolarHBondContact O-N 3.45Å; I1021-Q1025 WeakPolarHBondContact O-CB 3.39Å; I1021-Q1025 PolarHBondContact O-N 3.28Å; I1021-W1041 HydrophobicContact CB-CH2 4.2Å; I1021-W1041 HydrophobicContact CB-CZ2 4.37Å; I1021-W1041 HydrophobicContact CG1-CH2 3.62Å; I1021-W1041 HydrophobicContact CG1-CZ2 4.1Å; I1021-W1041 HydrophobicContact CG1-CZ3 4.01Å
1022	I	94.5	Very high	90.2	Very high	88 Å²	88	51.7 Å²	51.7	45%	0.451	28%	0.282	S	S	.	.	H	α-helix	trans	-66.1	-42.6	179	-66.1	162.3	0	0	0	111.6	V1018 V1019 Q1020 F1026	V1018-I1022 HydrophobicContact CG1-CD1 4.09Å; V1018-I1022 WeakPolarHBondContact O-CG1 3.34Å; V1018-I1022 PolarHBondContact O-N 2.86Å; V1018-I1022 VanDerWaalsContact O-N 3.11Å; V1019-I1022 PolarHBondContact O-N 2.82Å; V1019-I1022 VanDerWaalsContact O-N 3.16Å; Q1020-I1022 VanDerWaalsContact C-N 3.33Å; Q1020-I1022 PolarHBondContact O-N 3.24Å; I1022-F1026 HydrophobicContact CG2-CD2 4.29Å; I1022-F1026 WeakPolarHBondContact O-CA 3.41Å; I1022-F1026 WeakPolarHBondContact O-CB 3.35Å; I1022-F1026 PolarHBondContact O-N 3.25Å
1023	I	91.6	Very high	90.1	Very high	11 Å²	11	50.4 Å²	50.4	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-41.7	178	-72.8	170.2	0	0	0	111.4	W889 F976 V1019 Q1020 G1027 F1031	W889-I1023 HydrophobicContact CD2-CD1 3.69Å; W889-I1023 VanDerWaalsContact CE2-CD1 3.44Å; W889-I1023 HydrophobicContact CE3-CD1 4.16Å; W889-I1023 HydrophobicContact CG-CD1 4.14Å; W889-I1023 HydrophobicContact CH2-CD1 4.25Å; W889-I1023 HydrophobicContact CZ2-CD1 3.76Å; W889-I1023 HydrophobicContact CZ3-CD1 4.42Å; F976-I1023 HydrophobicContact CE1-CG2 4.2Å; F976-I1023 HydrophobicContact CZ-CG2 4.39Å; V1019-I1023 HydrophobicContact CG1-CD1 3.78Å; V1019-I1023 HydrophobicContact CG1-CG1 4.24Å; V1019-I1023 WeakPolarHBondContact O-CG1 3.21Å; V1019-I1023 PolarHBondContact O-N 3.1Å; Q1020-I1023 PolarHBondContact O-N 3.32Å; I1023-G1027 WeakPolarHBondContact O-CA 3.33Å; I1023-G1027 PolarHBondContact O-N 3.5Å; I1023-F1031 HydrophobicContact CD1-CE1 4.15Å; I1023-F1031 HydrophobicContact CG1-CD1 4.49Å; I1023-F1031 HydrophobicContact CG1-CE1 4.29Å; I1023-F1031 HydrophobicContact CG1-CZ 4.42Å; I1023-F1031 HydrophobicContact CG2-CB 4.04Å; I1023-F1031 HydrophobicContact CG2-CD1 3.75Å; I1023-F1031 HydrophobicContact CG2-CE1 4.36Å; I1023-F1031 HydrophobicContact CG2-CG 3.86Å
1024	V	93.7	Very high	89.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-72.4	-45	-179.8	168.8	0	0	0	0	111.6	T973 F976 N977 Q1020 I1021 L1036 W1041	T973-V1024 HydrophobicContact CG2-CG1 4.19Å; F976-V1024 HydrophobicContact CE1-CG2 4.27Å; N977-V1024 HydrophobicContact CB-CG2 4.22Å; Q1020-V1024 WeakPolarHBondContact O-CB 3.3Å; Q1020-V1024 WeakPolarHBondContact O-CG2 3.3Å; Q1020-V1024 PolarHBondContact O-N 2.8Å; I1021-V1024 PolarHBondContact O-N 3.45Å; V1024-L1036 HydrophobicContact CG1-CB 4.08Å; V1024-L1036 HydrophobicContact CG1-CD1 4.12Å; V1024-L1036 HydrophobicContact CG1-CD2 4.33Å; V1024-L1036 HydrophobicContact CG1-CG 4.41Å; V1024-W1041 HydrophobicContact CB-CH2 4.13Å; V1024-W1041 HydrophobicContact CB-CZ2 3.66Å; V1024-W1041 HydrophobicContact CG1-CH2 4.36Å; V1024-W1041 HydrophobicContact CG1-CZ2 3.58Å; V1024-W1041 HydrophobicContact CG2-CH2 4.28Å; V1024-W1041 HydrophobicContact CG2-CZ2 4.27Å
1025	Q	92.3	Very high	89.8	Confident	46 Å²	46	51.5 Å²	51.5	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-81	-27.1	-176.3	-151.3	72	36.3	0	0	114.1	I1021 E1035	I1021-Q1025 WeakPolarHBondContact O-CB 3.39Å; I1021-Q1025 PolarHBondContact O-N 3.28Å; Q1025-E1035 PolarHBondContact NE2-OE2 2.81Å; Q1025-E1035 WeakPolarHBondContact O-CG 3.34Å
1026	F	89.9	Confident	89.7	Confident	161 Å²	161	50.2 Å²	50.2	71%	0.706	26%	0.264	S	S	*	.	H	α-helix	trans	-127.2	-6.2	-174.1	-52.7	-70.1	0	0	0	114.5	I1022	I1022-F1026 HydrophobicContact CG2-CD2 4.29Å; I1022-F1026 WeakPolarHBondContact O-CA 3.41Å; I1022-F1026 WeakPolarHBondContact O-CB 3.35Å; I1022-F1026 PolarHBondContact O-N 3.25Å
1027	G	81.1	Confident	89.6	Confident	8 Å²	8	52.6 Å²	52.6	8%	0.082	28%	0.281	C	S	.	.			trans	-77.7	-19.1	-177.4	0	0	0	0	0	115.1	I1023 P1030 F1031	I1023-G1027 WeakPolarHBondContact O-CA 3.33Å; I1023-G1027 PolarHBondContact O-N 3.5Å; G1027-P1030 VanDerWaalsContact O-CD 3.29Å; G1027-P1030 WeakPolarHBondContact O-CD 3.47Å; G1027-F1031 PolarHBondContact O-N 3.49Å; G1027-F1031 VanDerWaalsContact O-N 3.09Å
1028	G	82.9	Confident	89.5	Confident	28 Å²	28	56.1 Å²	56.1	29%	0.289	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	-139.2	165.5	0	0	0	0	0	116.1	F1031 S1032 C1033	G1028-F1031 PolarHBondContact O-N 2.86Å; G1028-S1032 PolarHBondContact O-N 3.1Å; G1028-S1032 VanDerWaalsContact O-N 3.11Å; G1028-C1033 CarbonylContact C-O 3.56Å; G1028-C1033 VanDerWaalsContact C-O 3.26Å; G1028-C1033 VanDerWaalsContact CA-O 3.29Å; G1028-C1033 WeakPolarHBondContact CA-O 3.43Å; G1028-C1033 PolarHBondContact O-N 3.06Å; G1028-C1033 VanDerWaalsContact O-O 3.1Å
1029	K	80.1	Confident	89.3	Confident	114 Å²	114	58.4 Å²	58.4	50%	0.496	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-54.4	-46.9	177.8	-62.2	-171.1	178.7	-171	0	113.1	T151 P968 F1031 S1032	T151-K1029 HydrophobicContact CG2-CD 3.94Å; P968-K1029 HydrophobicContact CG-CG 4.14Å; K1029-F1031 VanDerWaalsContact C-N 3.35Å; K1029-F1031 PolarHBondContact O-N 3.23Å; K1029-S1032 PolarHBondContact O-N 3.1Å
1030	P	80.4	Confident	89.3	Confident	62 Å²	62	56.2 Å²	56.2	40%	0.403	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-56.3	-36.9	179.1	-29.2	35.9	0	0	0	116.4	I154 G1027	I154-P1030 HydrophobicContact CG2-CB 4.29Å; I154-P1030 HydrophobicContact CG2-CG 4.07Å; G1027-P1030 VanDerWaalsContact O-CD 3.29Å; G1027-P1030 WeakPolarHBondContact O-CD 3.47Å
1031	F	83	Confident	89.2	Confident	60 Å²	60	57.5 Å²	57.5	26%	0.263	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-96.8	7.3	176.3	-75.8	-89.9	0	0	0	113.3	V885 Q886 I1023 G1027 G1028 K1029 C1033	V885-F1031 HydrophobicContact CG1-CD1 3.65Å; V885-F1031 HydrophobicContact CG1-CE1 3.83Å; V885-F1031 HydrophobicContact CG1-CG 4.3Å; Q886-F1031 WeakPolarHBondContact CG-O 3.33Å; Q886-F1031 PolarHBondContact NE2-O 3.11Å; I1023-F1031 HydrophobicContact CD1-CE1 4.15Å; I1023-F1031 HydrophobicContact CG1-CD1 4.49Å; I1023-F1031 HydrophobicContact CG1-CE1 4.29Å; I1023-F1031 HydrophobicContact CG1-CZ 4.42Å; I1023-F1031 HydrophobicContact CG2-CB 4.04Å; I1023-F1031 HydrophobicContact CG2-CD1 3.75Å; I1023-F1031 HydrophobicContact CG2-CE1 4.36Å; I1023-F1031 HydrophobicContact CG2-CG 3.86Å; G1027-F1031 PolarHBondContact O-N 3.49Å; G1027-F1031 VanDerWaalsContact O-N 3.09Å; G1028-F1031 PolarHBondContact O-N 2.86Å; K1029-F1031 VanDerWaalsContact C-N 3.35Å; K1029-F1031 PolarHBondContact O-N 3.23Å; F1031-C1033 HydrophobicContact CB-CB 4.46Å; F1031-C1033 PolarHBondContact O-N 3.36Å; F1031-C1033 PolarHBondContact O-SG 3.05Å
1032	S	83.9	Confident	89.3	Confident	34 Å²	34	59.8 Å²	59.8	24%	0.238	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	38.7	-171.6	-49.2	0	0	0	0	112.9	Q886 G1028 K1029	Q886-S1032 PolarHBondContact NE2-O 3.17Å; Q886-S1032 VanDerWaalsContact NE2-O 3.16Å; G1028-S1032 PolarHBondContact O-N 3.1Å; G1028-S1032 VanDerWaalsContact O-N 3.11Å; K1029-S1032 PolarHBondContact O-N 3.1Å
1033	C	89.2	Confident	89.3	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.014	30%	0.304	C	S	.	.			trans	-111.6	158.4	179.2	-66.8	0	0	0	0	110.8	P968 T973 G1028 F1031	P968-C1033 WeakPolarHBondContact CB-O 3.2Å; T973-C1033 HydrophobicContact CG2-CB 3.91Å; G1028-C1033 CarbonylContact C-O 3.56Å; G1028-C1033 VanDerWaalsContact C-O 3.26Å; G1028-C1033 VanDerWaalsContact CA-O 3.29Å; G1028-C1033 WeakPolarHBondContact CA-O 3.43Å; G1028-C1033 PolarHBondContact O-N 3.06Å; G1028-C1033 VanDerWaalsContact O-O 3.1Å; F1031-C1033 HydrophobicContact CB-CB 4.46Å; F1031-C1033 PolarHBondContact O-N 3.36Å; F1031-C1033 PolarHBondContact O-SG 3.05Å
1034	S	89.8	Confident	89.4	Confident	25 Å²	25	59.4 Å²	59.4	18%	0.175	30%	0.302	C	S	.	.			trans	-130.8	158.8	173.6	48.9	0	0	0	0	109.8	E970 T973 L1036	E970-S1034 WeakPolarHBondContact CA-OG 3.45Å; E970-S1034 PolarHBondContact N-OG 3.15Å; T973-S1034 PolarHBondContact OG1-N 3.1Å; T973-S1034 VanDerWaalsContact OG1-N 3.14Å; T973-S1034 PolarHBondContact OG1-OG 2.98Å; S1034-L1036 PolarHBondContact O-N 2.71Å
1035	E	91.3	Very high	89.5	Confident	135 Å²	135	61.6 Å²	61.6	63%	0.631	31%	0.313	S	S	*	.			trans	-68.8	114.7	-175.4	-73.2	-164	-121.1	0	0	111.9	Q1025	Q1025-E1035 PolarHBondContact NE2-OE2 2.81Å; Q1025-E1035 WeakPolarHBondContact O-CG 3.34Å
1036	L	92.4	Very high	89.7	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.031	33%	0.33	C	S	.	.			trans	-81.4	140.5	177.3	-101	63.4	0	0	0	112.1	T973 I974 N977 V1024 S1034 Q1040 W1041	T973-L1036 HydrophobicContact CG2-CD1 3.48Å; T973-L1036 VanDerWaalsContact CG2-CD1 3.48Å; I974-L1036 HydrophobicContact CG1-CD1 4.27Å; I974-L1036 HydrophobicContact CG1-CD2 4.03Å; I974-L1036 HydrophobicContact CG1-CG 4.17Å; N977-L1036 HydrophobicContact CB-CD2 4.29Å; V1024-L1036 HydrophobicContact CG1-CB 4.08Å; V1024-L1036 HydrophobicContact CG1-CD1 4.12Å; V1024-L1036 HydrophobicContact CG1-CD2 4.33Å; V1024-L1036 HydrophobicContact CG1-CG 4.41Å; S1034-L1036 PolarHBondContact O-N 2.71Å; L1036-Q1040 HydrophobicContact CD2-CB 4.15Å; L1036-Q1040 HydrophobicContact CG-CB 4.08Å; L1036-W1041 HydrophobicContact CB-CG 4.48Å
1037	S	92	Very high	89.9	Confident	55 Å²	55	59.8 Å²	59.8	39%	0.385	31%	0.306	S	S	.	.			trans	-67.8	157.5	167	72.1	0	0	0	0	112.3	E1039 Q1040 W1041	S1037-E1039 PolarHBondContact O-N 1.86Å; S1037-Q1040 PolarHBondContact O-N 3.38Å; S1037-Q1040 WeakPolarHBondContact OG-CG 3.29Å; S1037-Q1040 PolarHBondContact OG-N 2.93Å; S1037-Q1040 PolarHBondContact OG-OE1 3.49Å; S1037-W1041 PolarHBondContact O-N 3.44Å
1038	I	92.3	Very high	90.6	Very high	140 Å²	140	59.4 Å²	59.4	72%	0.718	30%	0.302	S	S	*	.	H	α-helix	trans	-59.6	-32.2	177.6	-60.3	174.7	0	0	0	111.5	W1041 L1042	I1038-W1041 WeakPolarHBondContact O-CB 3.22Å; I1038-W1041 PolarHBondContact O-N 2.83Å; I1038-L1042 HydrophobicContact CG2-CD1 4.26Å; I1038-L1042 VanDerWaalsContact O-CG 3.32Å; I1038-L1042 WeakPolarHBondContact O-CG 3.42Å; I1038-L1042 PolarHBondContact O-N 3.27Å
1039	E	92.6	Very high	91.1	Very high	129 Å²	129	62.5 Å²	62.5	60%	0.603	31%	0.31	S	S	*	.	H	α-helix	trans	-68.7	-47.2	177.9	177.9	158.5	-171.5	0	0	112	S1037 W1041 L1042 W1043	S1037-E1039 PolarHBondContact O-N 1.86Å; E1039-W1041 VanDerWaalsContact C-N 3.27Å; E1039-W1041 PolarHBondContact O-N 3.43Å; E1039-L1042 PolarHBondContact O-N 3.31Å; E1039-L1042 VanDerWaalsContact O-N 3.1Å; E1039-W1043 VanDerWaalsContact O-CD1 3.23Å; E1039-W1043 PolarHBondContact O-N 2.87Å; E1039-W1043 PolarHBondContact OE1-NE1 3.24Å
1040	Q	92.4	Very high	91.9	Very high	12 Å²	12	57.8 Å²	57.8	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-34.9	175.9	-65.6	149	-24.7	0	0	111.7	F954 E970 I974 L1036 S1037 W1043 S1044	F954-Q1040 HydrophobicContact CD1-CG 4.21Å; E970-Q1040 PolarHBondContact OE1-NE2 3Å; E970-Q1040 PolarHBondContact OE1-OE1 3.24Å; I974-Q1040 HydrophobicContact CD1-CB 4.23Å; I974-Q1040 HydrophobicContact CD1-CG 3.79Å; I974-Q1040 HydrophobicContact CG1-CB 4.24Å; I974-Q1040 HydrophobicContact CG1-CG 4.35Å; L1036-Q1040 HydrophobicContact CD2-CB 4.15Å; L1036-Q1040 HydrophobicContact CG-CB 4.08Å; S1037-Q1040 PolarHBondContact O-N 3.38Å; S1037-Q1040 WeakPolarHBondContact OG-CG 3.29Å; S1037-Q1040 PolarHBondContact OG-N 2.93Å; S1037-Q1040 PolarHBondContact OG-OE1 3.49Å; Q1040-W1043 PolarHBondContact O-N 2.46Å; Q1040-S1044 WeakPolarHBondContact O-CB 3.31Å; Q1040-S1044 PolarHBondContact O-N 2.95Å; Q1040-S1044 PolarHBondContact O-OG 3.4Å
1041	W	94.6	Very high	92.5	Very high	27 Å²	27	54.8 Å²	54.8	10%	0.102	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-47.8	169.6	-90.5	110.4	0	0	0	112.2	N977 L981 I1021 V1024 L1036 S1037 I1038 E1039 W1043 S1044 I1045	N977-W1041 WeakPolarHBondContact ND2-CH2 3.46Å; N977-W1041 WeakPolarHBondContact ND2-CZ3 3.43Å; N977-W1041 WeakPolarHBondContact OD1-CH2 3.42Å; N977-W1041 WeakPolarHBondContact OD1-CZ3 3.38Å; L981-W1041 HydrophobicContact CD1-CE3 4.37Å; L981-W1041 HydrophobicContact CD1-CZ3 4.16Å; I1021-W1041 HydrophobicContact CB-CH2 4.2Å; I1021-W1041 HydrophobicContact CB-CZ2 4.37Å; I1021-W1041 HydrophobicContact CG1-CH2 3.62Å; I1021-W1041 HydrophobicContact CG1-CZ2 4.1Å; I1021-W1041 HydrophobicContact CG1-CZ3 4.01Å; V1024-W1041 HydrophobicContact CB-CH2 4.13Å; V1024-W1041 HydrophobicContact CB-CZ2 3.66Å; V1024-W1041 HydrophobicContact CG1-CH2 4.36Å; V1024-W1041 HydrophobicContact CG1-CZ2 3.58Å; V1024-W1041 HydrophobicContact CG2-CH2 4.28Å; V1024-W1041 HydrophobicContact CG2-CZ2 4.27Å; L1036-W1041 HydrophobicContact CB-CG 4.48Å; S1037-W1041 PolarHBondContact O-N 3.44Å; I1038-W1041 WeakPolarHBondContact O-CB 3.22Å; I1038-W1041 PolarHBondContact O-N 2.83Å; E1039-W1041 VanDerWaalsContact C-N 3.27Å; E1039-W1041 PolarHBondContact O-N 3.43Å; W1041-W1043 PolarHBondContact O-N 3.46Å; W1041-S1044 PolarHBondContact O-N 2.93Å; W1041-I1045 HydrophobicContact CE3-CD1 4.5Å; W1041-I1045 WeakPolarHBondContact O-CB 3.2Å; W1041-I1045 VanDerWaalsContact O-CG1 3.26Å; W1041-I1045 WeakPolarHBondContact O-CG1 3.2Å; W1041-I1045 PolarHBondContact O-N 2.91Å
1042	L	95.3	Very high	93	Very high	111 Å²	111	52.9 Å²	52.9	58%	0.581	27%	0.267	S	S	*	.	H	α-helix	trans	-62.5	-40.8	177.5	-73.2	170.2	0	0	0	112.1	I1038 E1039 I1045 F1046	I1038-L1042 HydrophobicContact CG2-CD1 4.26Å; I1038-L1042 VanDerWaalsContact O-CG 3.32Å; I1038-L1042 WeakPolarHBondContact O-CG 3.42Å; I1038-L1042 PolarHBondContact O-N 3.27Å; E1039-L1042 PolarHBondContact O-N 3.31Å; E1039-L1042 VanDerWaalsContact O-N 3.1Å; L1042-I1045 PolarHBondContact O-N 3.01Å; L1042-F1046 VanDerWaalsContact O-CB 3.28Å; L1042-F1046 WeakPolarHBondContact O-CB 3.38Å; L1042-F1046 PolarHBondContact O-N 3.1Å
1043	W	94.4	Very high	93.4	Very high	91 Å²	91	57.3 Å²	57.3	35%	0.345	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-43	173.6	-78.7	110.5	0	0	0	112.6	F953 F954 E1039 Q1040 W1041 I1045 F1046 L1047	F953-W1043 HydrophobicContact CZ-CH2 4.46Å; F954-W1043 HydrophobicContact CE1-CB 3.91Å; F954-W1043 AromaticContact CE1-CD1 3.7Å; F954-W1043 AromaticContact CE1-CG 3.79Å; F954-W1043 HydrophobicContact CE1-CG 3.79Å; F954-W1043 HydrophobicContact CZ-CB 4.04Å; F954-W1043 HydrophobicContact CZ-CG 4.25Å; E1039-W1043 VanDerWaalsContact O-CD1 3.23Å; E1039-W1043 PolarHBondContact O-N 2.87Å; E1039-W1043 PolarHBondContact OE1-NE1 3.24Å; Q1040-W1043 PolarHBondContact O-N 2.46Å; W1041-W1043 PolarHBondContact O-N 3.46Å; W1043-I1045 PolarHBondContact O-N 3.42Å; W1043-F1046 HydrophobicContact CE3-CD1 4.07Å; W1043-F1046 HydrophobicContact CZ3-CD1 4.09Å; W1043-F1046 HydrophobicContact CZ3-CE1 4.25Å; W1043-F1046 PolarHBondContact O-N 3.38Å; W1043-L1047 WeakPolarHBondContact O-CG 3.48Å; W1043-L1047 PolarHBondContact O-N 3.23Å
1044	S	94.3	Very high	93.6	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-41.6	176.5	-54.4	0	0	0	0	111.6	T978 Q1040 W1041 G1048	T978-S1044 PolarHBondContact OG1-OG 3.18Å; Q1040-S1044 WeakPolarHBondContact O-CB 3.31Å; Q1040-S1044 PolarHBondContact O-N 2.95Å; Q1040-S1044 PolarHBondContact O-OG 3.4Å; W1041-S1044 PolarHBondContact O-N 2.93Å; S1044-G1048 PolarHBondContact O-N 3.37Å
1045	I	95.6	Very high	93.7	Very high	46 Å²	46	60.5 Å²	60.5	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-40.9	175.2	-68.9	166.1	0	0	0	111.2	L981 F1017 W1041 L1042 W1043 G1048 M1049	L981-I1045 HydrophobicContact CD1-CG1 3.84Å; F1017-I1045 HydrophobicContact CZ-CD1 4.43Å; W1041-I1045 HydrophobicContact CE3-CD1 4.5Å; W1041-I1045 WeakPolarHBondContact O-CB 3.2Å; W1041-I1045 VanDerWaalsContact O-CG1 3.26Å; W1041-I1045 WeakPolarHBondContact O-CG1 3.2Å; W1041-I1045 PolarHBondContact O-N 2.91Å; L1042-I1045 PolarHBondContact O-N 3.01Å; W1043-I1045 PolarHBondContact O-N 3.42Å; I1045-G1048 PolarHBondContact O-N 2.95Å; I1045-M1049 WeakPolarHBondContact O-CB 3.42Å; I1045-M1049 PolarHBondContact O-N 2.92Å
1046	F	96.1	Very high	93.7	Very high	132 Å²	132	56.9 Å²	56.9	58%	0.579	28%	0.281	S	S	*	.	H	α-helix	trans	-63.1	-47	177.8	173.6	-101.4	0	0	0	112	L1042 W1043 M1049 G1050	L1042-F1046 VanDerWaalsContact O-CB 3.28Å; L1042-F1046 WeakPolarHBondContact O-CB 3.38Å; L1042-F1046 PolarHBondContact O-N 3.1Å; W1043-F1046 HydrophobicContact CE3-CD1 4.07Å; W1043-F1046 HydrophobicContact CZ3-CD1 4.09Å; W1043-F1046 HydrophobicContact CZ3-CE1 4.25Å; W1043-F1046 PolarHBondContact O-N 3.38Å; F1046-M1049 PolarHBondContact O-N 2.89Å; F1046-G1050 PolarHBondContact O-N 3.48Å
1047	L	95.1	Very high	93.6	Very high	37 Å²	37	60.6 Å²	60.6	19%	0.194	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-40.5	175.4	-68.5	171.6	0	0	0	111.6	Y938 V942 L946 T978 W1043 G1050	Y938-L1047 PolarHBondContact OH-O 2.86Å; Y938-L1047 VanDerWaalsContact OH-O 3.14Å; V942-L1047 HydrophobicContact CG1-CB 4.29Å; V942-L1047 HydrophobicContact CG1-CD1 4.17Å; V942-L1047 HydrophobicContact CG1-CD2 4.38Å; L946-L1047 HydrophobicContact CD1-CD1 4.19Å; L946-L1047 HydrophobicContact CD2-CD1 4.26Å; T978-L1047 HydrophobicContact CG2-CB 3.77Å; T978-L1047 HydrophobicContact CG2-CD1 4.04Å; W1043-L1047 WeakPolarHBondContact O-CG 3.48Å; W1043-L1047 PolarHBondContact O-N 3.23Å; L1047-G1050 PolarHBondContact O-N 3.38Å
1048	G	94.1	Very high	93.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-49.9	171.8	0	0	0	0	0	112.6	F985 S1044 I1045 G1050 T1051	F985-G1048 WeakPolarHBondContact CB-O 3.14Å; F985-G1048 WeakPolarHBondContact CD2-O 3.27Å; S1044-G1048 PolarHBondContact O-N 3.37Å; I1045-G1048 PolarHBondContact O-N 2.95Å; G1048-G1050 PolarHBondContact O-N 3.41Å; G1048-T1051 WeakPolarHBondContact O-CB 3.21Å; G1048-T1051 WeakPolarHBondContact O-CG2 3.41Å; G1048-T1051 PolarHBondContact O-N 3.48Å
1049	M	95	Very high	93.3	Very high	94 Å²	94	53 Å²	53	46%	0.463	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-30.2	177.4	-168.9	-175.4	-60.8	0	0	112.2	I1045 F1046 T1051 L1052	I1045-M1049 WeakPolarHBondContact O-CB 3.42Å; I1045-M1049 PolarHBondContact O-N 2.92Å; F1046-M1049 PolarHBondContact O-N 2.89Å; M1049-T1051 PolarHBondContact O-N 2.94Å; M1049-L1052 HydrophobicContact CG-CD1 4.28Å; M1049-L1052 WeakPolarHBondContact O-CB 3.44Å; M1049-L1052 PolarHBondContact O-N 3.19Å
1050	G	95.5	Very high	93	Very high	14 Å²	14	50.5 Å²	50.5	14%	0.144	25%	0.253	C	S	.	.	H	α-helix	trans	-54.7	-30.1	171.4	0	0	0	0	0	113.7	Y938 F1046 L1047 G1048 L1052 L1053 W1054	Y938-G1050 WeakPolarHBondContact OH-CA 3.42Å; F1046-G1050 PolarHBondContact O-N 3.48Å; L1047-G1050 PolarHBondContact O-N 3.38Å; G1048-G1050 PolarHBondContact O-N 3.41Å; G1050-L1052 VanDerWaalsContact C-N 3.31Å; G1050-L1052 PolarHBondContact O-N 2.7Å; G1050-L1053 PolarHBondContact O-N 2.95Å; G1050-W1054 WeakPolarHBondContact O-CB 3.26Å; G1050-W1054 PolarHBondContact O-N 2.68Å
1051	T	94.1	Very high	92.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-28.3	175.1	-145.9	0	0	0	0	113	H935 M982 F985 N986 N989 G1048 M1049 G1055	H935-T1051 PolarHBondContact CE1-O 3.42Å; H935-T1051 PolarHBondContact ND1-OG1 3.35Å; M982-T1051 HydrophobicContact CG-CG2 4.44Å; F985-T1051 HydrophobicContact CB-CG2 3.6Å; N986-T1051 HydrophobicContact CB-CG2 4.29Å; N989-T1051 PolarHBondContact ND2-O 3.09Å; G1048-T1051 WeakPolarHBondContact O-CB 3.21Å; G1048-T1051 WeakPolarHBondContact O-CG2 3.41Å; G1048-T1051 PolarHBondContact O-N 3.48Å; M1049-T1051 PolarHBondContact O-N 2.94Å; T1051-G1055 PolarHBondContact O-N 3.08Å
1052	L	92.7	Very high	91.9	Very high	20 Å²	20	54.9 Å²	54.9	11%	0.105	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-47.4	173.2	-60.9	176.4	0	0	0	110.3	F985 I988 F1000 M1049 G1050 W1054 G1055 Q1056	F985-L1052 HydrophobicContact CB-CD2 4.1Å; F985-L1052 HydrophobicContact CB-CG 4.08Å; F985-L1052 HydrophobicContact CD1-CD1 3.82Å; F985-L1052 HydrophobicContact CD1-CD2 4.48Å; F985-L1052 HydrophobicContact CD1-CG 4.2Å; F985-L1052 HydrophobicContact CE1-CD1 4.39Å; F985-L1052 HydrophobicContact CG-CD1 4.48Å; F985-L1052 HydrophobicContact CG-CG 4.43Å; F985-L1052 WeakPolarHBondContact O-CD2 3.49Å; I988-L1052 HydrophobicContact CB-CD2 4.23Å; I988-L1052 HydrophobicContact CG2-CD2 4.38Å; F1000-L1052 HydrophobicContact CZ-CD1 4.24Å; M1049-L1052 HydrophobicContact CG-CD1 4.28Å; M1049-L1052 WeakPolarHBondContact O-CB 3.44Å; M1049-L1052 PolarHBondContact O-N 3.19Å; G1050-L1052 VanDerWaalsContact C-N 3.31Å; G1050-L1052 PolarHBondContact O-N 2.7Å; L1052-W1054 VanDerWaalsContact C-N 3.34Å; L1052-W1054 PolarHBondContact O-N 2.96Å; L1052-G1055 PolarHBondContact O-N 2.86Å; L1052-Q1056 PolarHBondContact O-N 3.43Å; L1052-Q1056 VanDerWaalsContact O-N 3.11Å
1053	L	92.8	Very high	90.9	Very high	126 Å²	126	51.9 Å²	51.9	66%	0.66	27%	0.267	S	S	*	.	H	α-helix	trans	-64.9	-39.1	178	-59.8	178.3	0	0	0	111.3	G1050 Q1056 L1057	G1050-L1053 PolarHBondContact O-N 2.95Å; L1053-Q1056 WeakPolarHBondContact O-CB 3.41Å; L1053-Q1056 PolarHBondContact O-N 3.49Å; L1053-L1057 PolarHBondContact O-N 3.44Å
1054	W	94.4	Very high	89.7	Confident	85 Å²	85	51.5 Å²	51.5	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-67.2	-36.7	175	-163.9	-102.1	0	0	0	112.5	G934 F937 Y938 G1050 L1052 Q1056 L1057 I1058	G934-W1054 PolarHBondContact O-NE1 3.03Å; G934-W1054 VanDerWaalsContact O-NE1 3.13Å; F937-W1054 HydrophobicContact CD1-CZ2 4.37Å; Y938-W1054 VanDerWaalsContact CB-CD1 3.47Å; Y938-W1054 HydrophobicContact CD2-CB 4.02Å; Y938-W1054 AromaticContact CD2-CD2 3.77Å; Y938-W1054 HydrophobicContact CD2-CD2 3.77Å; Y938-W1054 HydrophobicContact CD2-CE3 4.15Å; Y938-W1054 AromaticContact CD2-CG 3.7Å; Y938-W1054 HydrophobicContact CD2-CG 3.7Å; Y938-W1054 HydrophobicContact CE2-CB 4.35Å; Y938-W1054 HydrophobicContact CE2-CG 4.43Å; Y938-W1054 HydrophobicContact CG-CB 4.2Å; Y938-W1054 AromaticContact CG-CD1 3.89Å; Y938-W1054 HydrophobicContact CG-CD2 4.35Å; Y938-W1054 AromaticContact CG-CG 3.89Å; Y938-W1054 HydrophobicContact CG-CG 3.89Å; G1050-W1054 WeakPolarHBondContact O-CB 3.26Å; G1050-W1054 PolarHBondContact O-N 2.68Å; L1052-W1054 VanDerWaalsContact C-N 3.34Å; L1052-W1054 PolarHBondContact O-N 2.96Å; W1054-Q1056 VanDerWaalsContact C-N 3.31Å; W1054-Q1056 PolarHBondContact O-N 3.42Å; W1054-L1057 HydrophobicContact CD2-CD2 4.17Å; W1054-L1057 HydrophobicContact CE3-CD2 3.72Å; W1054-L1057 HydrophobicContact CH2-CD2 3.75Å; W1054-L1057 HydrophobicContact CZ2-CD2 4.19Å; W1054-L1057 HydrophobicContact CZ3-CD2 3.49Å; W1054-L1057 VanDerWaalsContact CZ3-CD2 3.49Å; W1054-L1057 WeakPolarHBondContact O-CB 3.26Å; W1054-L1057 PolarHBondContact O-N 3.34Å; W1054-L1057 VanDerWaalsContact O-N 3.1Å; W1054-I1058 VanDerWaalsContact CD1-CD1 3.48Å; W1054-I1058 HydrophobicContact CG-CD1 4.48Å; W1054-I1058 WeakPolarHBondContact O-CG1 3.37Å; W1054-I1058 PolarHBondContact O-N 3.26Å
1055	G	91.1	Very high	88.4	Confident	10 Å²	10	61.4 Å²	61.4	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-57.8	-42.1	170.1	0	0	0	0	0	112.6	H935 T1051 L1052 I1058 S1059	H935-G1055 WeakPolarHBondContact CE1-CA 3.49Å; T1051-G1055 PolarHBondContact O-N 3.08Å; L1052-G1055 PolarHBondContact O-N 2.86Å; G1055-I1058 PolarHBondContact O-N 3.04Å; G1055-S1059 PolarHBondContact O-N 3.13Å
1056	Q	91.1	Very high	87.3	Confident	59 Å²	59	61 Å²	61	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-41	172.7	-62.8	-56.6	-47.1	0	0	112.2	R997 L1052 L1053 W1054 S1059 T1060	R997-Q1056 PolarHBondContact O-NE2 3.47Å; R997-Q1056 PolarHBondContact O-OE1 2.93Å; L1052-Q1056 PolarHBondContact O-N 3.43Å; L1052-Q1056 VanDerWaalsContact O-N 3.11Å; L1053-Q1056 WeakPolarHBondContact O-CB 3.41Å; L1053-Q1056 PolarHBondContact O-N 3.49Å; W1054-Q1056 VanDerWaalsContact C-N 3.31Å; W1054-Q1056 PolarHBondContact O-N 3.42Å; Q1056-S1059 WeakPolarHBondContact O-CB 3.35Å; Q1056-S1059 PolarHBondContact O-N 2.98Å; Q1056-S1059 PolarHBondContact O-OG 3.41Å; Q1056-T1060 WeakPolarHBondContact O-CG2 3.18Å; Q1056-T1060 PolarHBondContact O-N 2.85Å
1057	L	91.1	Very high	85.7	Confident	83 Å²	83	63 Å²	63	44%	0.435	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-49.1	174.4	-168.7	79	0	0	0	111.2	L1053 W1054 S1059 T1060	L1053-L1057 PolarHBondContact O-N 3.44Å; W1054-L1057 HydrophobicContact CD2-CD2 4.17Å; W1054-L1057 HydrophobicContact CE3-CD2 3.72Å; W1054-L1057 HydrophobicContact CH2-CD2 3.75Å; W1054-L1057 HydrophobicContact CZ2-CD2 4.19Å; W1054-L1057 HydrophobicContact CZ3-CD2 3.49Å; W1054-L1057 VanDerWaalsContact CZ3-CD2 3.49Å; W1054-L1057 WeakPolarHBondContact O-CB 3.26Å; W1054-L1057 PolarHBondContact O-N 3.34Å; W1054-L1057 VanDerWaalsContact O-N 3.1Å; L1057-S1059 PolarHBondContact O-N 3.23Å; L1057-T1060 WeakPolarHBondContact O-CB 3.4Å; L1057-T1060 PolarHBondContact O-N 3.28Å; L1057-T1060 PolarHBondContact O-OG1 2.94Å
1058	I	90.2	Very high	84.6	Confident	10 Å²	10	68.6 Å²	68.6	5%	0.051	35%	0.345	C	S	.	.	H	α-helix	trans	-56.7	-39.4	176.5	-65.7	159.8	0	0	0	110.6	K930 W1054 G1055 T1060 I1061	K930-I1058 HydrophobicContact CD-CG2 4.09Å; K930-I1058 HydrophobicContact CG-CG2 4.03Å; K930-I1058 PolarHBondContact NZ-O 3.46Å; W1054-I1058 VanDerWaalsContact CD1-CD1 3.48Å; W1054-I1058 HydrophobicContact CG-CD1 4.48Å; W1054-I1058 WeakPolarHBondContact O-CG1 3.37Å; W1054-I1058 PolarHBondContact O-N 3.26Å; G1055-I1058 PolarHBondContact O-N 3.04Å; I1058-T1060 PolarHBondContact O-N 3.46Å; I1058-I1061 PolarHBondContact O-N 3.38Å; I1058-I1061 VanDerWaalsContact O-N 3.15Å
1059	S	86.3	Confident	83.4	Confident	26 Å²	26	69.1 Å²	69.1	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-55.6	-33.9	177.1	88.6	0	0	0	0	112.8	R997 G1055 Q1056 L1057 I1061	R997-S1059 PolarHBondContact NE-OG 3.3Å; G1055-S1059 PolarHBondContact O-N 3.13Å; Q1056-S1059 WeakPolarHBondContact O-CB 3.35Å; Q1056-S1059 PolarHBondContact O-N 2.98Å; Q1056-S1059 PolarHBondContact O-OG 3.41Å; L1057-S1059 PolarHBondContact O-N 3.23Å; S1059-I1061 VanDerWaalsContact C-N 3.3Å; S1059-I1061 PolarHBondContact O-N 3.12Å
1060	T	86.7	Confident	82.2	Confident	76 Å²	76	73 Å²	73	47%	0.466	36%	0.363	S	S	.	.	H	α-helix	trans	-70.1	-24.6	-177.8	74.2	0	0	0	0	113.6	Q1056 L1057 I1058 P1062	Q1056-T1060 WeakPolarHBondContact O-CG2 3.18Å; Q1056-T1060 PolarHBondContact O-N 2.85Å; L1057-T1060 WeakPolarHBondContact O-CB 3.4Å; L1057-T1060 PolarHBondContact O-N 3.28Å; L1057-T1060 PolarHBondContact O-OG1 2.94Å; I1058-T1060 PolarHBondContact O-N 3.46Å; T1060-P1062 WeakPolarHBondContact O-CD 3.31Å
1061	I	84.1	Confident	81.2	Confident	71 Å²	71	75.6 Å²	75.6	36%	0.364	37%	0.371	S	S	.	.	S	Bend	trans	-84.4	115.3	-173.6	-55.5	177.3	0	0	0	109.7	K930 I1058 S1059 L1066	K930-I1061 WeakPolarHBondContact CD-O 3.43Å; K930-I1061 PolarHBondContact NZ-O 3.49Å; I1058-I1061 PolarHBondContact O-N 3.38Å; I1058-I1061 VanDerWaalsContact O-N 3.15Å; S1059-I1061 VanDerWaalsContact C-N 3.3Å; S1059-I1061 PolarHBondContact O-N 3.12Å; I1061-L1066 HydrophobicContact CG2-CD1 3.93Å; I1061-L1066 HydrophobicContact CG2-CG 4.29Å
1062	P	79.9	Confident	79.8	Confident	61 Å²	61	77.1 Å²	77.1	40%	0.396	38%	0.384	S	S	.	.			trans	-77.7	137.9	-178.4	32.1	-35	0	0	0	111.3	T1060 S1064 R1065	T1060-P1062 WeakPolarHBondContact O-CD 3.31Å; P1062-S1064 PolarHBondContact O-N 3.2Å; P1062-S1064 VanDerWaalsContact O-N 3.11Å; P1062-R1065 HydrophobicContact CG-CG 4.26Å; P1062-R1065 PolarHBondContact O-N 3.2Å; P1062-R1065 VanDerWaalsContact O-N 3.1Å
1063	T	74.1	Confident	78.2	Confident	47 Å²	47	76.6 Å²	76.6	29%	0.288	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-61.7	-19.4	179.3	47.1	0	0	0	0	113.6	R926 T927 K930 R1065 L1066	R926-T1063 HydrophobicContact CB-CG2 4.27Å; T927-T1063 HydrophobicContact CG2-CG2 3.86Å; K930-T1063 HydrophobicContact CD-CG2 4.41Å; T1063-R1065 PolarHBondContact O-N 3.4Å; T1063-L1066 PolarHBondContact O-N 2.93Å
1064	S	69.6	Low	76.9	Confident	83 Å²	83	75 Å²	75	58%	0.58	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-60.6	-24.1	173.4	57.7	0	0	0	0	114	P1062	P1062-S1064 PolarHBondContact O-N 3.2Å; P1062-S1064 VanDerWaalsContact O-N 3.11Å
1065	R	66.5	Low	74.7	Confident	209 Å²	209	72 Å²	72	79%	0.789	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-87.8	-16	172.9	-67.3	-175	177.6	-166.9	-0.7	113.4	P1062 T1063	P1062-R1065 HydrophobicContact CG-CG 4.26Å; P1062-R1065 PolarHBondContact O-N 3.2Å; P1062-R1065 VanDerWaalsContact O-N 3.1Å; T1063-R1065 PolarHBondContact O-N 3.4Å
1066	L	72.9	Confident	72.3	Confident	38 Å²	38	77.4 Å²	77.4	20%	0.199	40%	0.398	C	S	.	.			trans	-106.8	50.9	-173.8	-59.5	175.7	0	0	0	111.4	K930 I1061 T1063 F1068 L1069	K930-L1066 HydrophobicContact CB-CD1 4.45Å; K930-L1066 HydrophobicContact CD-CD1 3.75Å; K930-L1066 HydrophobicContact CG-CD1 3.71Å; I1061-L1066 HydrophobicContact CG2-CD1 3.93Å; I1061-L1066 HydrophobicContact CG2-CG 4.29Å; T1063-L1066 PolarHBondContact O-N 2.93Å; L1066-F1068 HydrophobicContact CB-CE1 4.37Å; L1066-F1068 HydrophobicContact CD2-CE1 3.81Å; L1066-F1068 HydrophobicContact CD2-CZ 4.3Å; L1066-F1068 PolarHBondContact O-N 3.01Å; L1066-F1068 VanDerWaalsContact O-N 3.1Å; L1066-L1069 HydrophobicContact CB-CD1 3.7Å; L1066-L1069 HydrophobicContact CB-CG 4.05Å; L1066-L1069 HydrophobicContact CD1-CD1 4.02Å; L1066-L1069 PolarHBondContact O-N 3.18Å; L1066-L1069 VanDerWaalsContact O-N 3.15Å
1067	K	62.5	Low	69.6	Low	173 Å²	173	79.4 Å²	79.4	75%	0.752	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.4	-174.1	-67.4	-173.8	178.8	-179.1	0	115	L1069	K1067-L1069 VanDerWaalsContact C-N 3.31Å
1068	F	71.4	Confident	67	Low	155 Å²	155	86 Å²	86	68%	0.68	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.3	176.9	69.4	-93.7	0	0	0	113.6	L1066 K1070	L1066-F1068 HydrophobicContact CB-CE1 4.37Å; L1066-F1068 HydrophobicContact CD2-CE1 3.81Å; L1066-F1068 HydrophobicContact CD2-CZ 4.3Å; L1066-F1068 PolarHBondContact O-N 3.01Å; L1066-F1068 VanDerWaalsContact O-N 3.1Å; F1068-K1070 PolarHBondContact O-N 3.12Å; F1068-K1070 VanDerWaalsContact O-N 3.14Å
1069	L	70.7	Confident	64.1	Low	11 Å²	11	91.6 Å²	91.6	6%	0.058	46%	0.459	C	S	.	.			trans	-70	108.4	178.4	-63.3	178.6	0	0	0	110.4	M929 K930 L933 L1066 K1067	M929-L1069 HydrophobicContact CG-CD2 4.07Å; K930-L1069 HydrophobicContact CB-CD1 3.84Å; L933-L1069 HydrophobicContact CD1-CD2 3.78Å; L1066-L1069 HydrophobicContact CB-CD1 3.7Å; L1066-L1069 HydrophobicContact CB-CG 4.05Å; L1066-L1069 HydrophobicContact CD1-CD1 4.02Å; L1066-L1069 PolarHBondContact O-N 3.18Å; L1066-L1069 VanDerWaalsContact O-N 3.15Å; K1067-L1069 VanDerWaalsContact C-N 3.31Å
1070	K	69.4	Low	61.5	Low	176 Å²	176	99.4 Å²	99.4	77%	0.765	49%	0.493	S	S	*	.			trans	-74.1	149	172.3	-64.7	-175.5	179	-178.3	0	110.8	F1068	F1068-K1070 PolarHBondContact O-N 3.12Å; F1068-K1070 VanDerWaalsContact O-N 3.14Å
1071	E	74.3	Confident	58.6	Low	69 Å²	69	100.4 Å²	100.4	32%	0.322	49%	0.494	S	S	.	.			trans	-85.9	155.3	169.6	-67.1	166.9	-138.5	0	0	109.8	P922 R926	P922-E1071 HydrophobicContact CB-CB 4.12Å; P922-E1071 HydrophobicContact CG-CB 3.63Å; P922-E1071 HydrophobicContact CG-CG 4.16Å; P922-E1071 WeakPolarHBondContact CG-OE2 3.48Å; R926-E1071 HydrophobicContact CG-CG 3.69Å; R926-E1071 IonicContact CZ-OE1 2.69Å; R926-E1071 IonicContact NE-OE1 2.68Å; R926-E1071 PolarHBondContact NE-OE1 3.39Å; R926-E1071 IonicContact NH2-OE1 2.87Å; R926-E1071 PolarHBondContact NH2-OE1 2.91Å
1072	A	65.2	Low	55.9	Low	32 Å²	32	100.7 Å²	100.7	26%	0.264	50%	0.5	S	S	.	.	B	Isolated β-bridge	trans	-146.7	158	-175.4	0	0	0	0	0	113.2	P922 L923 I924	P922-A1072 VanDerWaalsContact CB-O 3.3Å; P922-A1072 WeakPolarHBondContact CB-O 3.37Å; L923-A1072 PolarHBondContact N-O 2.75Å; I924-A1072 HydrophobicContact CB-CB 4.21Å; I924-A1072 HydrophobicContact CD1-CB 4.21Å; I924-A1072 PolarHBondContact N-O 2.77Å; I924-A1072 PolarHBondContact O-N 3.19Å
1073	G	58.2	Low	53.8	Low	8 Å²	8	106.6 Å²	106.6	8%	0.082	52%	0.523	C	S	.	.			trans	76.7	42.3	-176.1	0	0	0	0	0	113.7	L923	L923-G1073 PolarHBondContact N-O 3.44Å; L923-G1073 VanDerWaalsContact N-O 3.16Å
1074	H	65.1	Low	51.8	Low	93 Å²	93	112.6 Å²	112.6	43%	0.431	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-67.5	137.8	168.7	-68.3	-86.5	0	0	0	111
1075	G	48.3	Very low	49.9	Very low	23 Å²	23	115.6 Å²	115.6	24%	0.237	55%	0.553	C	S	.	*	P	Polyproline II helix	trans	-67.7	165.6	170.4	0	0	0	0	0	112
1076	T	41.1	Very low	48.4	Very low	122 Å²	122	109.9 Å²	109.9	75%	0.748	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-67.5	128.7	164.5	44.4	0	0	0	0	109.3
1077	Q	34.8	Very low	46.7	Very low	102 Å²	102	110.7 Å²	110.7	48%	0.477	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-67.9	158.3	161.8	-52.5	-141.8	76	0	0	108.9	N920 E1079	N920-Q1077 PolarHBondContact ND2-OE1 2.85Å; Q1077-E1079 HydrophobicContact CB-CB 4.22Å; Q1077-E1079 HydrophobicContact CB-CG 3.74Å; Q1077-E1079 WeakPolarHBondContact CB-OE2 3.49Å; Q1077-E1079 HydrophobicContact CG-CG 4.22Å; Q1077-E1079 WeakPolarHBondContact CG-OE2 3.26Å; Q1077-E1079 PolarHBondContact NE2-OE1 2.93Å; Q1077-E1079 PolarHBondContact O-N 3.21Å
1078	K	35.7	Very low	45.2	Very low	220 Å²	220	110.4 Å²	110.4	96%	0.957	55%	0.55	S	S	*	*			trans	-81	75.4	142	-83.7	-167.2	172	-168.6	0	106.3
1079	E	28.8	Very low	43.4	Very low	128 Å²	128	109 Å²	109	60%	0.598	55%	0.55	S	S	*	*			trans	-75.7	138.3	154.8	-84.7	152.5	152.9	0	0	106.4	Q1077 I1081	Q1077-E1079 HydrophobicContact CB-CB 4.22Å; Q1077-E1079 HydrophobicContact CB-CG 3.74Å; Q1077-E1079 WeakPolarHBondContact CB-OE2 3.49Å; Q1077-E1079 HydrophobicContact CG-CG 4.22Å; Q1077-E1079 WeakPolarHBondContact CG-OE2 3.26Å; Q1077-E1079 PolarHBondContact NE2-OE1 2.93Å; Q1077-E1079 PolarHBondContact O-N 3.21Å; E1079-I1081 VanDerWaalsContact C-N 3.27Å; E1079-I1081 PolarHBondContact O-N 3.5Å
1080	E	32.4	Very low	41.9	Very low	191 Å²	191	112 Å²	112	89%	0.893	57%	0.569	S	S	*	*			trans	-71.6	90.8	169.4	-67	173.8	145.1	0	0	106.7	P1082	E1080-P1082 WeakPolarHBondContact O-CD 3.32Å
1081	I	26	Very low	40.2	Very low	96 Å²	96	111.2 Å²	111.2	49%	0.492	57%	0.568	S	S	.	*			trans	-65.2	121.4	170.1	-54.9	167.3	0	0	0	106	E1079 E1083 L1086	E1079-I1081 VanDerWaalsContact C-N 3.27Å; E1079-I1081 PolarHBondContact O-N 3.5Å; I1081-E1083 PolarHBondContact O-N 3.2Å; I1081-L1086 HydrophobicContact CB-CD1 3.95Å; I1081-L1086 HydrophobicContact CD1-CD1 4.08Å; I1081-L1086 HydrophobicContact CG2-CD1 3.79Å; I1081-L1086 HydrophobicContact CG2-CG 3.86Å
1082	P	28.1	Very low	38.4	Very low	77 Å²	77	115.5 Å²	115.5	50%	0.5	59%	0.588	S	S	.	*			trans	-56.9	135	174.5	-22.6	34.2	0	0	0	109.5	E1080 E1084 E1085	E1080-P1082 WeakPolarHBondContact O-CD 3.32Å; P1082-E1084 PolarHBondContact O-N 3.45Å; P1082-E1085 PolarHBondContact O-N 3.42Å
1083	E	34.4	Very low	37.1	Very low	186 Å²	186	119.2 Å²	119.2	87%	0.869	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-10.5	-171.1	-63.6	-172.6	125.7	0	0	113.7	I1081	I1081-E1083 PolarHBondContact O-N 3.2Å
1084	E	33.1	Very low	36.3	Very low	172 Å²	172	122 Å²	122	80%	0.804	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-37.7	177.7	-61.3	-178.3	133.4	0	0	113.7	P1082 L1086 A1087	P1082-E1084 PolarHBondContact O-N 3.45Å; E1084-L1086 VanDerWaalsContact C-N 3.28Å; E1084-L1086 PolarHBondContact O-N 3.46Å; E1084-A1087 PolarHBondContact O-N 3.39Å
1085	E	29.8	Very low	34.9	Very low	147 Å²	147	123.1 Å²	123.1	69%	0.687	62%	0.62	S	S	*	*	H	α-helix	trans	-76.2	-14.8	179.7	-74.8	-171	152.9	0	0	113.2	P1082 A1087	P1082-E1085 PolarHBondContact O-N 3.42Å; E1085-A1087 VanDerWaalsContact C-N 3.32Å
1086	L	34	Very low	34.7	Very low	89 Å²	89	124.8 Å²	124.8	47%	0.466	63%	0.632	S	S	.	*	H	α-helix	trans	-81.5	-6	176.7	-100.5	164.1	0	0	0	114.2	I1081 E1084 V1090	I1081-L1086 HydrophobicContact CB-CD1 3.95Å; I1081-L1086 HydrophobicContact CD1-CD1 4.08Å; I1081-L1086 HydrophobicContact CG2-CD1 3.79Å; I1081-L1086 HydrophobicContact CG2-CG 3.86Å; E1084-L1086 VanDerWaalsContact C-N 3.28Å; E1084-L1086 PolarHBondContact O-N 3.46Å; L1086-V1090 HydrophobicContact CD2-CG2 3.96Å; L1086-V1090 WeakPolarHBondContact O-CB 3.19Å; L1086-V1090 WeakPolarHBondContact O-CG2 3.47Å
1087	A	37.9	Very low	34.8	Very low	55 Å²	55	123.2 Å²	123.2	46%	0.455	62%	0.616	S	S	.	*	H	α-helix	trans	-83.3	-56	179.7	0	0	0	0	0	112.2	E1084 E1085 E1091	E1084-A1087 PolarHBondContact O-N 3.39Å; E1085-A1087 VanDerWaalsContact C-N 3.32Å; A1087-E1091 PolarHBondContact O-N 3.37Å
1088	E	31.1	Very low	35.2	Very low	166 Å²	166	125.1 Å²	125.1	78%	0.776	62%	0.619	S	S	*	*	H	α-helix	trans	-72.5	-47	-167.8	-58.2	-169.2	148.5	0	0	112.6	V1090 E1091	E1088-V1090 PolarHBondContact O-N 3.03Å; E1088-E1091 PolarHBondContact O-N 3.19Å
1089	D	33.2	Very low	35.5	Very low	126 Å²	126	120 Å²	120	67%	0.674	60%	0.599	S	S	*	*	H	α-helix	trans	-68.7	-15.8	-178.2	-118	23.6	0	0	0	113.5	I1093	D1089-I1093 VanDerWaalsContact O-CD1 3.26Å; D1089-I1093 WeakPolarHBondContact O-CD1 3.42Å; D1089-I1093 VanDerWaalsContact O-CG1 3.32Å; D1089-I1093 WeakPolarHBondContact O-CG1 3.11Å
1090	V	39.3	Very low	36.1	Very low	75 Å²	75	119.6 Å²	119.6	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-94.2	-34.6	-179	178	0	0	0	0	112.1	L1086 E1088 I1093 D1094	L1086-V1090 HydrophobicContact CD2-CG2 3.96Å; L1086-V1090 WeakPolarHBondContact O-CB 3.19Å; L1086-V1090 WeakPolarHBondContact O-CG2 3.47Å; E1088-V1090 PolarHBondContact O-N 3.03Å; V1090-I1093 PolarHBondContact O-N 2.85Å; V1090-D1094 PolarHBondContact O-N 2.96Å
1091	E	33.7	Very low	36.6	Very low	158 Å²	158	117.4 Å²	117.4	74%	0.738	58%	0.583	S	S	*	*	H	α-helix	trans	-70.4	-38.6	-179.2	-70.4	-156.8	151.7	0	0	112.9	A1087 E1088 I1093 H1095	A1087-E1091 PolarHBondContact O-N 3.37Å; E1088-E1091 PolarHBondContact O-N 3.19Å; E1091-I1093 VanDerWaalsContact C-N 3.33Å; E1091-I1093 PolarHBondContact O-N 3.45Å; E1091-H1095 WeakPolarHBondContact O-CB 3.2Å; E1091-H1095 PolarHBondContact O-N 3.06Å
1092	E	35.5	Very low	37.3	Very low	160 Å²	160	120.4 Å²	120.4	75%	0.748	59%	0.588	S	S	*	*	H	α-helix	trans	-63.9	-38.2	173.8	-69.5	-150.5	142.8	0	0	112.1	H1095 A1096	E1092-H1095 PolarHBondContact O-N 3.47Å; E1092-A1096 PolarHBondContact O-N 3.02Å; E1092-A1096 VanDerWaalsContact O-N 3.14Å
1093	I	38.5	Very low	38	Very low	110 Å²	110	118.5 Å²	118.5	56%	0.564	58%	0.583	S	S	*	*	H	α-helix	trans	-72.2	-44.1	-178.4	-64.4	179.7	0	0	0	111.7	D1089 V1090 E1091 H1095 A1096 E1097	D1089-I1093 VanDerWaalsContact O-CD1 3.26Å; D1089-I1093 WeakPolarHBondContact O-CD1 3.42Å; D1089-I1093 VanDerWaalsContact O-CG1 3.32Å; D1089-I1093 WeakPolarHBondContact O-CG1 3.11Å; V1090-I1093 PolarHBondContact O-N 2.85Å; E1091-I1093 VanDerWaalsContact C-N 3.33Å; E1091-I1093 PolarHBondContact O-N 3.45Å; I1093-H1095 VanDerWaalsContact C-N 3.29Å; I1093-H1095 PolarHBondContact O-N 3.48Å; I1093-A1096 PolarHBondContact O-N 3.39Å; I1093-E1097 PolarHBondContact O-N 3.14Å
1094	D	41.2	Very low	38.5	Very low	67 Å²	67	115 Å²	115	36%	0.358	57%	0.567	S	S	.	*	H	α-helix	trans	-67.4	-30.6	175.7	-170.6	22.2	0	0	0	111.2	V1090 E1097 R1098	V1090-D1094 PolarHBondContact O-N 2.96Å; D1094-E1097 PolarHBondContact O-N 2.9Å; D1094-R1098 WeakPolarHBondContact O-CB 3.45Å; D1094-R1098 WeakPolarHBondContact O-CD 3.33Å; D1094-R1098 WeakPolarHBondContact O-CG 3.23Å; D1094-R1098 PolarHBondContact O-N 3.33Å; D1094-R1098 WeakPolarHBondContact OD1-CG 3.49Å; D1094-R1098 IonicContact OD1-NE 3.1Å; D1094-R1098 PolarHBondContact OD1-NE 3.33Å; D1094-R1098 VanDerWaalsContact OD1-NE 3.1Å; D1094-R1098 IonicContact OD2-CZ 3.03Å; D1094-R1098 IonicContact OD2-NE 2.89Å; D1094-R1098 PolarHBondContact OD2-NE 3.14Å; D1094-R1098 IonicContact OD2-NH2 2.64Å; D1094-R1098 PolarHBondContact OD2-NH2 3.45Å
1095	H	36.3	Very low	39	Very low	115 Å²	115	111.5 Å²	111.5	53%	0.532	55%	0.553	S	S	.	*	H	α-helix	trans	-65.9	-43.3	173.7	-147.8	-70	0	0	0	112.1	E1091 E1092 I1093 R1098 E1099	E1091-H1095 WeakPolarHBondContact O-CB 3.2Å; E1091-H1095 PolarHBondContact O-N 3.06Å; E1092-H1095 PolarHBondContact O-N 3.47Å; I1093-H1095 VanDerWaalsContact C-N 3.29Å; I1093-H1095 PolarHBondContact O-N 3.48Å; H1095-R1098 PolarHBondContact O-N 3.44Å; H1095-E1099 VanDerWaalsContact O-CG 3.23Å; H1095-E1099 WeakPolarHBondContact O-CG 3.34Å; H1095-E1099 PolarHBondContact O-N 3.15Å
1096	A	43	Very low	39.7	Very low	58 Å²	58	110.4 Å²	110.4	48%	0.479	55%	0.551	S	S	.	*	H	α-helix	trans	-65.1	-41.4	175	0	0	0	0	0	112.7	E1092 I1093 E1099 L1100	E1092-A1096 PolarHBondContact O-N 3.02Å; E1092-A1096 VanDerWaalsContact O-N 3.14Å; I1093-A1096 PolarHBondContact O-N 3.39Å; A1096-E1099 PolarHBondContact O-N 2.99Å; A1096-L1100 PolarHBondContact O-N 2.85Å
1097	E	45.1	Very low	40	Very low	89 Å²	89	114.8 Å²	114.8	42%	0.416	56%	0.561	S	S	.	*	H	α-helix	trans	-71.1	-33	177.7	-146.3	-164.8	116.7	0	0	112.2	I1093 D1094 L1100 R1101	I1093-E1097 PolarHBondContact O-N 3.14Å; D1094-E1097 PolarHBondContact O-N 2.9Å; E1097-L1100 PolarHBondContact O-N 2.82Å; E1097-R1101 WeakPolarHBondContact O-CB 3.45Å; E1097-R1101 VanDerWaalsContact O-CG 3.29Å; E1097-R1101 WeakPolarHBondContact O-CG 3.48Å; E1097-R1101 PolarHBondContact O-N 2.95Å; E1097-R1101 IonicContact OE1-CZ 3.4Å; E1097-R1101 IonicContact OE1-NE 3.18Å; E1097-R1101 PolarHBondContact OE1-NE 3.49Å; E1097-R1101 IonicContact OE1-NH2 2.65Å; E1097-R1101 PolarHBondContact OE1-NH2 2.77Å
1098	R	41.3	Very low	40.2	Very low	143 Å²	143	118.2 Å²	118.2	54%	0.54	57%	0.566	S	S	.	*	H	α-helix	trans	-66.3	-37.4	171.1	-76	169.7	-173.9	-163.7	6.9	112.7	D1094 H1095 R1101 R1102	D1094-R1098 WeakPolarHBondContact O-CB 3.45Å; D1094-R1098 WeakPolarHBondContact O-CD 3.33Å; D1094-R1098 WeakPolarHBondContact O-CG 3.23Å; D1094-R1098 PolarHBondContact O-N 3.33Å; D1094-R1098 WeakPolarHBondContact OD1-CG 3.49Å; D1094-R1098 IonicContact OD1-NE 3.1Å; D1094-R1098 PolarHBondContact OD1-NE 3.33Å; D1094-R1098 VanDerWaalsContact OD1-NE 3.1Å; D1094-R1098 IonicContact OD2-CZ 3.03Å; D1094-R1098 IonicContact OD2-NE 2.89Å; D1094-R1098 PolarHBondContact OD2-NE 3.14Å; D1094-R1098 IonicContact OD2-NH2 2.64Å; D1094-R1098 PolarHBondContact OD2-NH2 3.45Å; H1095-R1098 PolarHBondContact O-N 3.44Å; R1098-R1101 PolarHBondContact O-N 3.1Å; R1098-R1102 VanDerWaalsContact O-CB 3.3Å; R1098-R1102 WeakPolarHBondContact O-CB 3.37Å; R1098-R1102 VanDerWaalsContact O-CG 3.3Å; R1098-R1102 WeakPolarHBondContact O-CG 3.2Å; R1098-R1102 PolarHBondContact O-N 3Å
1099	E	43	Very low	40.8	Very low	113 Å²	113	119 Å²	119	53%	0.528	56%	0.562	S	S	.	*	H	α-helix	trans	-65.1	-44.9	173.3	-69.7	-100.3	116.3	0	0	110.6	H1095 A1096 R1101 R1102 G1103	H1095-E1099 VanDerWaalsContact O-CG 3.23Å; H1095-E1099 WeakPolarHBondContact O-CG 3.34Å; H1095-E1099 PolarHBondContact O-N 3.15Å; A1096-E1099 PolarHBondContact O-N 2.99Å; E1099-R1101 PolarHBondContact O-N 2.99Å; E1099-R1102 PolarHBondContact O-N 2.95Å; E1099-G1103 PolarHBondContact O-N 3.44Å
1100	L	41.3	Very low	41.5	Very low	119 Å²	119	114.3 Å²	114.3	62%	0.623	54%	0.544	S	S	*	.	H	α-helix	trans	-59.4	-45.3	173.2	-103.6	157.6	0	0	0	112.6	A1096 E1097 G1103 Q1104	A1096-L1100 PolarHBondContact O-N 2.85Å; E1097-L1100 PolarHBondContact O-N 2.82Å; L1100-G1103 PolarHBondContact O-N 3.4Å; L1100-Q1104 WeakPolarHBondContact O-CG 3.24Å; L1100-Q1104 PolarHBondContact O-N 3.4Å
1101	R	43.3	Very low	41.8	Very low	144 Å²	144	114.1 Å²	114.1	54%	0.543	54%	0.54	S	S	.	.	H	α-helix	trans	-67.7	-35.2	175.5	-71.5	173.9	-176.3	-127.7	9.5	112.4	E1097 R1098 E1099 Q1104 I1105	E1097-R1101 WeakPolarHBondContact O-CB 3.45Å; E1097-R1101 VanDerWaalsContact O-CG 3.29Å; E1097-R1101 WeakPolarHBondContact O-CG 3.48Å; E1097-R1101 PolarHBondContact O-N 2.95Å; E1097-R1101 IonicContact OE1-CZ 3.4Å; E1097-R1101 IonicContact OE1-NE 3.18Å; E1097-R1101 PolarHBondContact OE1-NE 3.49Å; E1097-R1101 IonicContact OE1-NH2 2.65Å; E1097-R1101 PolarHBondContact OE1-NH2 2.77Å; R1098-R1101 PolarHBondContact O-N 3.1Å; E1099-R1101 PolarHBondContact O-N 2.99Å; R1101-Q1104 PolarHBondContact O-N 2.92Å; R1101-I1105 WeakPolarHBondContact O-CB 3.38Å; R1101-I1105 WeakPolarHBondContact O-CD1 3.31Å; R1101-I1105 WeakPolarHBondContact O-CG1 3.27Å; R1101-I1105 PolarHBondContact O-N 3.45Å
1102	R	39.6	Very low	42.2	Very low	159 Å²	159	111 Å²	111	60%	0.6	53%	0.528	S	S	*	.	H	α-helix	trans	-64.5	-42.1	170.6	-82.4	176.1	170	-178.8	-1.2	111.3	R1098 E1099 I1105 L1106	R1098-R1102 VanDerWaalsContact O-CB 3.3Å; R1098-R1102 WeakPolarHBondContact O-CB 3.37Å; R1098-R1102 VanDerWaalsContact O-CG 3.3Å; R1098-R1102 WeakPolarHBondContact O-CG 3.2Å; R1098-R1102 PolarHBondContact O-N 3Å; E1099-R1102 PolarHBondContact O-N 2.95Å; R1102-I1105 PolarHBondContact O-N 2.97Å; R1102-L1106 WeakPolarHBondContact O-CB 3.14Å; R1102-L1106 WeakPolarHBondContact O-CG 3.06Å; R1102-L1106 PolarHBondContact O-N 3.16Å
1103	G	43.1	Very low	42.5	Very low	38 Å²	38	112 Å²	112	39%	0.392	53%	0.525	S	S	.	.	H	α-helix	trans	-57.5	-50.5	172.1	0	0	0	0	0	111.7	E1099 L1100 I1105 L1106 W1107	E1099-G1103 PolarHBondContact O-N 3.44Å; L1100-G1103 PolarHBondContact O-N 3.4Å; G1103-I1105 PolarHBondContact O-N 2.86Å; G1103-L1106 PolarHBondContact O-N 3.03Å; G1103-W1107 WeakPolarHBondContact O-CB 3.07Å; G1103-W1107 PolarHBondContact O-N 3.46Å
1104	Q	44.5	Very low	43.1	Very low	112 Å²	112	111 Å²	111	52%	0.523	52%	0.52	S	S	.	.	H	α-helix	trans	-60	-43.2	174.4	-74	178.1	-22.5	0	0	112.5	L1100 R1101 L1106 W1107 F1108	L1100-Q1104 WeakPolarHBondContact O-CG 3.24Å; L1100-Q1104 PolarHBondContact O-N 3.4Å; R1101-Q1104 PolarHBondContact O-N 2.92Å; Q1104-L1106 VanDerWaalsContact C-N 3.33Å; Q1104-L1106 PolarHBondContact O-N 3.32Å; Q1104-W1107 PolarHBondContact O-N 2.99Å; Q1104-F1108 WeakPolarHBondContact O-CB 3.45Å; Q1104-F1108 WeakPolarHBondContact O-CD2 3.18Å; Q1104-F1108 PolarHBondContact O-N 3.39Å
1105	I	44.3	Very low	43.3	Very low	99 Å²	99	113.4 Å²	113.4	51%	0.508	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-35.2	177.7	-71.4	163.9	0	0	0	111.6	R1101 R1102 G1103 R1109	R1101-I1105 WeakPolarHBondContact O-CB 3.38Å; R1101-I1105 WeakPolarHBondContact O-CD1 3.31Å; R1101-I1105 WeakPolarHBondContact O-CG1 3.27Å; R1101-I1105 PolarHBondContact O-N 3.45Å; R1102-I1105 PolarHBondContact O-N 2.97Å; G1103-I1105 PolarHBondContact O-N 2.86Å; I1105-R1109 VanDerWaalsContact O-CB 3.31Å; I1105-R1109 WeakPolarHBondContact O-CB 3.24Å; I1105-R1109 WeakPolarHBondContact O-CG 3.5Å; I1105-R1109 PolarHBondContact O-N 3.43Å
1106	L	45.1	Very low	43.9	Very low	123 Å²	123	111.8 Å²	111.8	64%	0.644	53%	0.527	S	S	*	.	H	α-helix	trans	-69.1	-37.5	171.5	-75.8	165.8	0	0	0	111.7	R1102 G1103 Q1104 R1109 G1110	R1102-L1106 WeakPolarHBondContact O-CB 3.14Å; R1102-L1106 WeakPolarHBondContact O-CG 3.06Å; R1102-L1106 PolarHBondContact O-N 3.16Å; G1103-L1106 PolarHBondContact O-N 3.03Å; Q1104-L1106 VanDerWaalsContact C-N 3.33Å; Q1104-L1106 PolarHBondContact O-N 3.32Å; L1106-R1109 CarbonylContact O-C 3.33Å; L1106-R1109 PolarHBondContact O-N 3.09Å; L1106-G1110 PolarHBondContact O-N 2.05Å
1107	W	39.5	Very low	43.9	Very low	182 Å²	182	114.9 Å²	114.9	69%	0.689	53%	0.532	S	S	*	.	H	α-helix	trans	-71.5	-42.7	178.1	-155.1	73.2	0	0	0	112	G1103 Q1104 R1109 G1110 L1111	G1103-W1107 WeakPolarHBondContact O-CB 3.07Å; G1103-W1107 PolarHBondContact O-N 3.46Å; Q1104-W1107 PolarHBondContact O-N 2.99Å; W1107-R1109 VanDerWaalsContact C-N 3.32Å; W1107-R1109 PolarHBondContact O-N 3.49Å; W1107-G1110 CarbonylContact O-C 3.59Å; W1107-G1110 WeakPolarHBondContact O-CA 3.15Å; W1107-G1110 PolarHBondContact O-N 3.3Å; W1107-L1111 HydrophobicContact CD2-CD1 4.25Å; W1107-L1111 HydrophobicContact CE3-CD1 3.61Å; W1107-L1111 HydrophobicContact CH2-CD1 4.12Å; W1107-L1111 HydrophobicContact CZ3-CD1 3.54Å; W1107-L1111 PolarHBondContact O-N 3.42Å
1108	F	42.5	Very low	44	Very low	127 Å²	127	116.1 Å²	116.1	56%	0.557	54%	0.539	S	S	*	.	H	α-helix	trans	-61.7	-37.5	168.8	-91	-74.3	0	0	0	112.1	Q1104 G1110 L1111 N1112	Q1104-F1108 WeakPolarHBondContact O-CB 3.45Å; Q1104-F1108 WeakPolarHBondContact O-CD2 3.18Å; Q1104-F1108 PolarHBondContact O-N 3.39Å; F1108-G1110 VanDerWaalsContact C-N 3.33Å; F1108-L1111 PolarHBondContact O-N 3.38Å; F1108-N1112 WeakPolarHBondContact O-CB 3.25Å; F1108-N1112 PolarHBondContact O-N 3.5Å; F1108-N1112 PolarHBondContact O-ND2 2.92Å
1109	R	43.2	Very low	44.2	Very low	181 Å²	181	113.8 Å²	113.8	68%	0.683	54%	0.537	S	S	*	.	H	α-helix	trans	-67.2	-33.5	170.6	-83.5	177.4	145	151.7	-4.6	112.5	I1105 L1106 W1107 R1113	I1105-R1109 VanDerWaalsContact O-CB 3.31Å; I1105-R1109 WeakPolarHBondContact O-CB 3.24Å; I1105-R1109 WeakPolarHBondContact O-CG 3.5Å; I1105-R1109 PolarHBondContact O-N 3.43Å; L1106-R1109 CarbonylContact O-C 3.33Å; L1106-R1109 PolarHBondContact O-N 3.09Å; W1107-R1109 VanDerWaalsContact C-N 3.32Å; W1107-R1109 PolarHBondContact O-N 3.49Å; R1109-R1113 VanDerWaalsContact O-CB 3.24Å; R1109-R1113 WeakPolarHBondContact O-CB 3.49Å; R1109-R1113 PolarHBondContact O-N 3.29Å; R1109-R1113 VanDerWaalsContact O-N 3.1Å
1110	G	49.2	Very low	44.6	Very low	29 Å²	29	112.4 Å²	112.4	30%	0.299	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-52	170.7	0	0	0	0	0	111.8	L1106 W1107 F1108 R1113 I1114	L1106-G1110 PolarHBondContact O-N 2.05Å; W1107-G1110 CarbonylContact O-C 3.59Å; W1107-G1110 WeakPolarHBondContact O-CA 3.15Å; W1107-G1110 PolarHBondContact O-N 3.3Å; F1108-G1110 VanDerWaalsContact C-N 3.33Å; G1110-R1113 CarbonylContact O-C 3.48Å; G1110-R1113 WeakPolarHBondContact O-CA 3.25Å; G1110-R1113 WeakPolarHBondContact O-CB 3.33Å; G1110-R1113 PolarHBondContact O-N 3.04Å; G1110-I1114 WeakPolarHBondContact O-CG1 3.39Å; G1110-I1114 PolarHBondContact O-N 3.46Å
1111	L	44.8	Very low	45.2	Very low	70 Å²	70	110.2 Å²	110.2	37%	0.366	53%	0.528	S	S	.	.	H	α-helix	trans	-60.3	-46.6	177.5	-77.5	168.2	0	0	0	112.6	W1107 F1108 R1113 I1114 Q1115	W1107-L1111 HydrophobicContact CD2-CD1 4.25Å; W1107-L1111 HydrophobicContact CE3-CD1 3.61Å; W1107-L1111 HydrophobicContact CH2-CD1 4.12Å; W1107-L1111 HydrophobicContact CZ3-CD1 3.54Å; W1107-L1111 PolarHBondContact O-N 3.42Å; F1108-L1111 PolarHBondContact O-N 3.38Å; L1111-R1113 PolarHBondContact O-N 3.03Å; L1111-I1114 PolarHBondContact O-N 3.3Å; L1111-I1114 VanDerWaalsContact O-N 3.14Å; L1111-Q1115 WeakPolarHBondContact O-CB 3.19Å; L1111-Q1115 PolarHBondContact O-N 3.47Å
1112	N	42.7	Very low	45.3	Very low	93 Å²	93	107.7 Å²	107.7	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-29.1	174.2	-81.2	-86.2	0	0	0	112.4	F1108 T1116	F1108-N1112 WeakPolarHBondContact O-CB 3.25Å; F1108-N1112 PolarHBondContact O-N 3.5Å; F1108-N1112 PolarHBondContact O-ND2 2.92Å; N1112-T1116 PolarHBondContact O-N 2.96Å; N1112-T1116 PolarHBondContact O-OG1 2.81Å
1113	R	41.5	Very low	45.7	Very low	180 Å²	180	103.5 Å²	103.5	68%	0.679	53%	0.525	S	S	*	.	H	α-helix	trans	-78.4	-32.1	175.7	-163.5	176	-168.6	-179.1	2.5	112.8	R1109 G1110 L1111 T1116 Q1117	R1109-R1113 VanDerWaalsContact O-CB 3.24Å; R1109-R1113 WeakPolarHBondContact O-CB 3.49Å; R1109-R1113 PolarHBondContact O-N 3.29Å; R1109-R1113 VanDerWaalsContact O-N 3.1Å; G1110-R1113 CarbonylContact O-C 3.48Å; G1110-R1113 WeakPolarHBondContact O-CA 3.25Å; G1110-R1113 WeakPolarHBondContact O-CB 3.33Å; G1110-R1113 PolarHBondContact O-N 3.04Å; L1111-R1113 PolarHBondContact O-N 3.03Å; R1113-T1116 WeakPolarHBondContact CA-OG1 3.28Å; R1113-T1116 PolarHBondContact O-OG1 3.01Å; R1113-Q1117 WeakPolarHBondContact O-CB 3.27Å; R1113-Q1117 VanDerWaalsContact O-CG 3.26Å; R1113-Q1117 WeakPolarHBondContact O-CG 3.21Å; R1113-Q1117 PolarHBondContact O-N 3.47Å
1114	I	51	Low	45.8	Very low	90 Å²	90	110 Å²	110	46%	0.462	54%	0.542	S	S	.	.	H	α-helix	trans	-70.1	-43.6	170.6	-68.6	165.3	0	0	0	109.9	G1110 L1111 Q1117 M1118	G1110-I1114 WeakPolarHBondContact O-CG1 3.39Å; G1110-I1114 PolarHBondContact O-N 3.46Å; L1111-I1114 PolarHBondContact O-N 3.3Å; L1111-I1114 VanDerWaalsContact O-N 3.14Å; I1114-Q1117 CarbonylContact O-C 3.53Å; I1114-Q1117 WeakPolarHBondContact O-CA 3.46Å; I1114-Q1117 WeakPolarHBondContact O-CB 3.34Å; I1114-Q1117 PolarHBondContact O-N 3.04Å; I1114-M1118 HydrophobicContact CG2-SD 4.29Å; I1114-M1118 WeakPolarHBondContact O-CG 3.38Å; I1114-M1118 PolarHBondContact O-N 2.92Å
1115	Q	46.3	Very low	45.7	Very low	118 Å²	118	111.7 Å²	111.7	55%	0.551	55%	0.55	S	S	*	*	H	α-helix	trans	-60.9	-47.8	177.5	-169	169.4	10.9	0	0	111.4	L1111 Q1117 M1118 D1119	L1111-Q1115 WeakPolarHBondContact O-CB 3.19Å; L1111-Q1115 PolarHBondContact O-N 3.47Å; Q1115-Q1117 VanDerWaalsContact C-N 3.27Å; Q1115-Q1117 PolarHBondContact O-N 2.74Å; Q1115-M1118 WeakPolarHBondContact O-CB 3.37Å; Q1115-M1118 PolarHBondContact O-N 3.45Å; Q1115-M1118 VanDerWaalsContact O-N 3.12Å; Q1115-D1119 PolarHBondContact O-N 2.93Å
1116	T	47.8	Very low	45.9	Very low	81 Å²	81	111.9 Å²	111.9	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-67.9	-21.8	173.3	46.6	0	0	0	0	113.9	N1112 R1113 V1120	N1112-T1116 PolarHBondContact O-N 2.96Å; N1112-T1116 PolarHBondContact O-OG1 2.81Å; R1113-T1116 WeakPolarHBondContact CA-OG1 3.28Å; R1113-T1116 PolarHBondContact O-OG1 3.01Å; T1116-V1120 WeakPolarHBondContact O-CG2 3.36Å; T1116-V1120 PolarHBondContact O-N 3.1Å
1117	Q	42.7	Very low	45.5	Very low	122 Å²	122	108.8 Å²	108.8	57%	0.57	56%	0.558	S	S	*	*	H	α-helix	trans	-76.1	-36.5	168	-80.9	178.2	-29.3	0	0	112.4	R1113 I1114 Q1115 V1120 V1121	R1113-Q1117 WeakPolarHBondContact O-CB 3.27Å; R1113-Q1117 VanDerWaalsContact O-CG 3.26Å; R1113-Q1117 WeakPolarHBondContact O-CG 3.21Å; R1113-Q1117 PolarHBondContact O-N 3.47Å; I1114-Q1117 CarbonylContact O-C 3.53Å; I1114-Q1117 WeakPolarHBondContact O-CA 3.46Å; I1114-Q1117 WeakPolarHBondContact O-CB 3.34Å; I1114-Q1117 PolarHBondContact O-N 3.04Å; Q1115-Q1117 VanDerWaalsContact C-N 3.27Å; Q1115-Q1117 PolarHBondContact O-N 2.74Å; Q1117-V1120 PolarHBondContact O-N 3.48Å; Q1117-V1121 WeakPolarHBondContact O-CG2 3.27Å; Q1117-V1121 PolarHBondContact O-N 3.02Å
1118	M	47.3	Very low	45	Very low	115 Å²	115	105.8 Å²	105.8	57%	0.567	57%	0.565	S	S	*	*	H	α-helix	trans	-64.7	-40.5	172.5	-70.9	176.5	68.8	0	0	111.3	I1114 Q1115 V1120 V1121 N1122	I1114-M1118 HydrophobicContact CG2-SD 4.29Å; I1114-M1118 WeakPolarHBondContact O-CG 3.38Å; I1114-M1118 PolarHBondContact O-N 2.92Å; Q1115-M1118 WeakPolarHBondContact O-CB 3.37Å; Q1115-M1118 PolarHBondContact O-N 3.45Å; Q1115-M1118 VanDerWaalsContact O-N 3.12Å; M1118-V1120 VanDerWaalsContact C-N 3.31Å; M1118-V1120 PolarHBondContact O-N 2.91Å; M1118-V1121 PolarHBondContact O-N 2.86Å; M1118-N1122 WeakPolarHBondContact O-CB 3.2Å; M1118-N1122 PolarHBondContact O-N 3.36Å; M1118-N1122 PolarHBondContact O-ND2 3.02Å
1119	D	46	Very low	44.5	Very low	95 Å²	95	104.3 Å²	104.3	51%	0.508	57%	0.571	S	S	.	*	H	α-helix	trans	-59.5	-41	172.8	-69.7	-31.5	0	0	0	112.1	Q1115 A1123	Q1115-D1119 PolarHBondContact O-N 2.93Å; D1119-A1123 WeakPolarHBondContact O-CB 3.47Å; D1119-A1123 PolarHBondContact O-N 3.45Å
1120	V	51.4	Low	44	Very low	84 Å²	84	102.7 Å²	102.7	51%	0.509	57%	0.574	S	S	.	*	H	α-helix	trans	-68.8	-38.7	175.3	170	0	0	0	0	111.9	T1116 Q1117 M1118 A1123 F1124	T1116-V1120 WeakPolarHBondContact O-CG2 3.36Å; T1116-V1120 PolarHBondContact O-N 3.1Å; Q1117-V1120 PolarHBondContact O-N 3.48Å; M1118-V1120 VanDerWaalsContact C-N 3.31Å; M1118-V1120 PolarHBondContact O-N 2.91Å; V1120-A1123 PolarHBondContact O-N 3.43Å; V1120-F1124 HydrophobicContact CG1-CD2 4.18Å; V1120-F1124 HydrophobicContact CG1-CE2 4.42Å; V1120-F1124 WeakPolarHBondContact O-CD2 3.39Å; V1120-F1124 PolarHBondContact O-N 2.81Å
1121	V	54.2	Low	42.9	Very low	73 Å²	73	110.3 Å²	110.3	44%	0.442	60%	0.601	S	S	.	*	H	α-helix	trans	-65.9	-42.8	175.1	168.9	0	0	0	0	111	Q1117 M1118 A1123 F1124 Q1125	Q1117-V1121 WeakPolarHBondContact O-CG2 3.27Å; Q1117-V1121 PolarHBondContact O-N 3.02Å; M1118-V1121 PolarHBondContact O-N 2.86Å; V1121-A1123 VanDerWaalsContact C-N 3.32Å; V1121-A1123 PolarHBondContact O-N 3.24Å; V1121-F1124 CarbonylContact O-C 3.57Å; V1121-F1124 WeakPolarHBondContact O-CA 3.42Å; V1121-F1124 PolarHBondContact O-N 3.41Å; V1121-Q1125 HydrophobicContact CG1-CG 4.26Å; V1121-Q1125 WeakPolarHBondContact O-CG 3.36Å; V1121-Q1125 PolarHBondContact O-N 2.92Å
1122	N	45.5	Very low	42.1	Very low	90 Å²	90	110.7 Å²	110.7	48%	0.481	62%	0.623	S	S	.	*	H	α-helix	trans	-59.5	-42.8	174.5	-70.3	-24.5	0	0	0	111.2	M1118 F1124 Q1125 S1126	M1118-N1122 WeakPolarHBondContact O-CB 3.2Å; M1118-N1122 PolarHBondContact O-N 3.36Å; M1118-N1122 PolarHBondContact O-ND2 3.02Å; N1122-F1124 PolarHBondContact O-N 3.22Å; N1122-Q1125 PolarHBondContact O-N 3.32Å; N1122-S1126 PolarHBondContact O-N 3.1Å; N1122-S1126 PolarHBondContact O-OG 3.06Å
1123	A	48.3	Very low	41.3	Very low	72 Å²	72	111.4 Å²	111.4	60%	0.595	64%	0.641	S	S	*	*	H	α-helix	trans	-66.7	-21	174.7	0	0	0	0	0	114.2	D1119 V1120 V1121	D1119-A1123 WeakPolarHBondContact O-CB 3.47Å; D1119-A1123 PolarHBondContact O-N 3.45Å; V1120-A1123 PolarHBondContact O-N 3.43Å; V1121-A1123 VanDerWaalsContact C-N 3.32Å; V1121-A1123 PolarHBondContact O-N 3.24Å
1124	F	44.8	Very low	40.6	Very low	174 Å²	174	110.6 Å²	110.6	76%	0.763	65%	0.65	S	S	*	*	H	α-helix	trans	-88.9	-27.7	172.6	-98.8	-88.4	0	0	0	113.4	V1120 V1121 N1122	V1120-F1124 HydrophobicContact CG1-CD2 4.18Å; V1120-F1124 HydrophobicContact CG1-CE2 4.42Å; V1120-F1124 WeakPolarHBondContact O-CD2 3.39Å; V1120-F1124 PolarHBondContact O-N 2.81Å; V1121-F1124 CarbonylContact O-C 3.57Å; V1121-F1124 WeakPolarHBondContact O-CA 3.42Å; V1121-F1124 PolarHBondContact O-N 3.41Å; N1122-F1124 PolarHBondContact O-N 3.22Å
1125	Q	42.2	Very low	39.5	Very low	148 Å²	148	116.8 Å²	116.8	69%	0.692	67%	0.667	S	S	*	*	H	α-helix	trans	-79.4	-26.9	-179.5	-75.1	-178.6	-7.8	0	0	113.3	V1121 N1122 G1127	V1121-Q1125 HydrophobicContact CG1-CG 4.26Å; V1121-Q1125 WeakPolarHBondContact O-CG 3.36Å; V1121-Q1125 PolarHBondContact O-N 2.92Å; N1122-Q1125 PolarHBondContact O-N 3.32Å; Q1125-G1127 PolarHBondContact O-N 3.02Å
1126	S	48.8	Very low	38.5	Very low	103 Å²	103	122.8 Å²	122.8	72%	0.72	69%	0.685	S	S	*	*	S	Bend	trans	-78.3	38.6	176.3	64.9	0	0	0	0	114	N1122	N1122-S1126 PolarHBondContact O-N 3.1Å; N1122-S1126 PolarHBondContact O-OG 3.06Å
1127	G	35.3	Very low	37.3	Very low	57 Å²	57	127.6 Å²	127.6	59%	0.588	70%	0.702	S	S	*	*			trans	-90.4	141.4	-159.4	0	0	0	0	0	117.5	Q1125	Q1125-G1127 PolarHBondContact O-N 3.02Å
1128	S	30.3	Very low	37.8	Very low	119 Å²	119	126.9 Å²	126.9	83%	0.832	71%	0.708	S	S	*	*			trans	176.9	151	153.2	43.3	0	0	0	0	109.6
1129	S	30.5	Very low	36.6	Very low	97 Å²	97	126.4 Å²	126.4	68%	0.678	72%	0.715	S	S	*	*			cis	-164.7	132.3	-20.3	54.1	0	0	0	0	111.4
1130	I	33.4	Very low	35.7	Very low	147 Å²	147	129.2 Å²	129.2	75%	0.754	73%	0.729	S	S	*	*			trans	74.1	144.7	147.6	-62	167	0	0	0	119.9
1131	Q	26.9	Very low	34.6	Very low	188 Å²	188	129.5 Å²	129.5	88%	0.879	74%	0.74	S	S	*	*			trans	79.4	129.7	160	-88.1	156.6	-20.1	0	0	121.7
1132	G	26.2	Very low	33.3	Very low	79 Å²	79	130.5 Å²	130.5	81%	0.814	75%	0.75	S	S	*	*			trans	98.2	123	176.4	0	0	0	0	0	113.4
1133	A	26.6	Very low	32.4	Very low	107 Å²	107	134.3 Å²	134.3	88%	0.884	77%	0.765	S	S	*	*			cis	-149	160.9	-6.2	0	0	0	0	0	111.5
1134	L	27	Very low	31.3	Very low	164 Å²	164	139 Å²	139	86%	0.859	77%	0.774	S	S	*	*			trans	-88.1	138	-178.9	-103.8	158.3	0	0	0	112.5
1135	R	27.7	Very low	30.5	Very low	219 Å²	219	137.9 Å²	137.9	83%	0.826	77%	0.771	S	S	*	*			trans	65.9	106.6	134	-169	-169.5	-162.2	177.6	6.9	118.7
1136	R	25.5	Very low	29.6	Very low	244 Å²	244	137.2 Å²	137.2	92%	0.921	77%	0.773	S	S	*	*				-172.6	137.5	118.3	-101.8	165.5	-166.3	-152	3.2	114.9
1137	Q	23.5	Very low	28.7	Very low	182 Å²	182	137.6 Å²	137.6	85%	0.85	77%	0.765	S	S	*	*			trans	-94.1	-179.5	161.9	-93	-177.8	-25.9	0	0	109.5
1138	P	51.6	Low	28.3	Very low	107 Å²	107	146 Å²	146	70%	0.695	78%	0.78	S	S	*	*			cis	-136.8	-164.2	-37.5	38.7	-21.4	0	0	0	112.1
1139	S	23.7	Very low	28.1	Very low	105 Å²	105	146.7 Å²	146.7	73%	0.734	78%	0.778	S	S	*	*			trans	122.4	148.3	147.7	75.4	0	0	0	0	116
1140	I	27.1	Very low	28.3	Very low	154 Å²	154	148.2 Å²	148.2	79%	0.79	78%	0.783	S	S	*	*			cis	-159.4	154.4	-19.4	-111.6	165	0	0	0	107.9
1141	A	27	Very low	27.9	Very low	91 Å²	91	149.1 Å²	149.1	75%	0.752	79%	0.79	S	S	*	*			trans	66.8	151.7	164	0	0	0	0	0	118.2
1142	S	28	Very low	27.9	Very low	93 Å²	93	143.8 Å²	143.8	65%	0.65	78%	0.777	S	S	*	*			cis	-162.3	149	-5	34.6	0	0	0	0	113
1143	Q	25.6	Very low	27.9	Very low	170 Å²	170	149.8 Å²	149.8	79%	0.794	78%	0.782	S	S	*	*			trans	68.7	137.4	154.3	-65.4	163.3	-21.9	0	0	117.8
1144	H	26.8	Very low	27.9	Very low	170 Å²	170	155.2 Å²	155.2	79%	0.787	78%	0.779	S	S	*	*			cis	-149.2	148	-2.4	-126.7	-69.5	0	0	0	111.5
1145	H	26.1	Very low	27.8	Very low	151 Å²	151	151.8 Å²	151.8	70%	0.699	77%	0.769	S	S	*	*			trans	-87.4	176.2	165.8	-81.7	-54.9	0	0	0	110.7
1146	D	25.1	Very low	27.6	Very low	134 Å²	134	146.2 Å²	146.2	72%	0.717	76%	0.764	S	S	*	*			cis	-141.5	168.5	23.4	-81.8	-77	0	0	0	110.6
1147	I	29.1	Very low	27.7	Very low	111 Å²	111	141.4 Å²	141.4	57%	0.569	76%	0.756	S	S	*	*			cis	82.9	108.4	26.5	-54	176.7	0	0	0	116.8
1148	R	27	Very low	27.8	Very low	235 Å²	235	141.7 Å²	141.7	89%	0.887	75%	0.75	S	S	*	*			trans	179.3	127.8	137.4	-94.6	152.1	-163.8	-138.9	1.7	108.8
1149	V	26.6	Very low	26.6	Very low	132 Å²	132	144.8 Å²	144.8	80%	0.8	76%	0.755	S	S	*	*				94.8	132.4	54.1	167	0	0	0	0	112.2
1150	V	33.6	Very low	26.6	Very low	130 Å²	130	142.6 Å²	142.6	79%	0.788	75%	0.749	S	S	*	*			trans	-81.1	151.4	-171.4	177.1	0	0	0	0	112.4
1151	N	25.4	Very low	26.6	Very low	166 Å²	166	143 Å²	143	89%	0.888	75%	0.752	S	S	*	*			trans	-153.5	166.2	149.5	-117.7	-25.3	0	0	0	111.9
1152	A	27.6	Very low	26.5	Very low	75 Å²	75	146.7 Å²	146.7	62%	0.62	75%	0.754	S	S	*	*			trans	-130.7	179.3	-166	0	0	0	0	0	114.5
1153	F	26.2	Very low	26.8	Very low	206 Å²	206	151.9 Å²	151.9	90%	0.904	76%	0.764	S	S	*	*			trans	72.1	154.9	-175.2	-64	-91.6	0	0	0	114.2
1154	R	25.2	Very low	27.2	Very low	220 Å²	220	149.9 Å²	149.9	83%	0.83	77%	0.766	S	S	*	*			cis	-159.1	145.8	21.4	-150.6	-168.5	-173	174.5	0.5	113.8
1155	S	24.8	Very low	27.1	Very low	92 Å²	92	150.4 Å²	150.4	64%	0.643	77%	0.769	S	S	*	*			trans	44.5	119.4	143.6	62.9	0	0	0	0	124.6
1156	S	24.9	Very low	27.4	Very low	103 Å²	103	148.1 Å²	148.1	72%	0.72	77%	0.77	S	S	*	*				64.7	127.8	115	-158	0	0	0	0	123
1157	L	26.1	Very low	27.4	Very low	143 Å²	143	153.2 Å²	153.2	75%	0.749	78%	0.779	S	S	*	*				158.8	132.5	116.6	-82.2	168.7	0	0	0	113.4
1158	Y	26.8	Very low	27.2	Very low	187 Å²	187	152.4 Å²	152.4	73%	0.733	78%	0.783	S	S	*	*			trans	58.4	132.3	151.4	-77.5	-111.7	0	0	0	119.1
1159	E	25.1	Very low	27.2	Very low	173 Å²	173	145.7 Å²	145.7	81%	0.808	77%	0.773	S	S	*	*				66.3	126.2	62.7	-171.6	-170.5	-87.4	0	0	112
1160	G	24.8	Very low	27.4	Very low	58 Å²	58	146.5 Å²	146.5	60%	0.598	77%	0.771	S	S	*	*			cis	-169.5	-148.6	1.3	0	0	0	0	0	110.7
1161	L	26.6	Very low	27.2	Very low	164 Å²	164	149.7 Å²	149.7	86%	0.859	78%	0.777	S	S	*	*			trans	72.2	148.6	-179.9	-48.2	163.6	0	0	0	114.2
1162	E	25.6	Very low	27.1	Very low	167 Å²	167	147.9 Å²	147.9	78%	0.78	77%	0.767	S	S	*	*			cis	-155.7	157.8	-8.2	-128	169.7	-167.3	0	0	110.4
1163	K	34.7	Very low	27.1	Very low	202 Å²	202	151.5 Å²	151.5	88%	0.878	77%	0.769	S	S	*	*			trans	-106.9	139.4	161.7	-84.3	-169.4	177.8	-176.2	0	109.5
1164	P	32.9	Very low	27.1	Very low	128 Å²	128	149.2 Å²	149.2	83%	0.831	76%	0.763	S	S	*	*			trans	-118.1	160.4	151.5	35.3	-25.9	0	0	0	112.6
1165	E	25.7	Very low	27.2	Very low	181 Å²	181	144.9 Å²	144.9	85%	0.846	76%	0.761	S	S	*	*			trans	-99.8	156.7	-171.8	-56.3	173.1	117.6	0	0	113.5
1166	S	31.2	Very low	27.3	Very low	104 Å²	104	148.8 Å²	148.8	73%	0.727	77%	0.769	S	S	*	*			trans	38.8	130.9	144.7	68.8	0	0	0	0	121.6
1167	R	25.6	Very low	27.6	Very low	240 Å²	240	149.9 Å²	149.9	91%	0.906	77%	0.774	S	S	*	*			trans	-162.1	116.7	135.5	-115.6	169.5	177.4	171.2	-0.3	116.6
1168	S	24.9	Very low	27.6	Very low	94 Å²	94	150.8 Å²	150.8	66%	0.657	77%	0.774	S	S	*	*			trans	30.1	124	137.1	64.9	0	0	0	0	123
1169	S	26.5	Very low	27.6	Very low	94 Å²	94	152.3 Å²	152.3	66%	0.657	79%	0.785	S	S	*	*				79.8	117.7	120.9	70.2	0	0	0	0	123.3
1170	I	30.5	Very low	27.5	Very low	149 Å²	149	154.6 Å²	154.6	76%	0.764	79%	0.786	S	S	*	*				63.2	115.4	129.3	-57.2	167.4	0	0	0	118.1
1171	H	29.1	Very low	27.7	Very low	197 Å²	197	158.8 Å²	158.8	91%	0.912	79%	0.793	S	S	*	*				-153.6	159.8	121.6	-117.9	-85.6	0	0	0	112.8
1172	N	25.2	Very low	27.7	Very low	128 Å²	128	160 Å²	160	68%	0.684	80%	0.795	S	S	*	*			trans	-112.9	172	-150	-161.9	1.9	0	0	0	113.8
1173	F	26.2	Very low	27.9	Very low	151 Å²	151	159.5 Å²	159.5	66%	0.662	80%	0.797	S	S	*	*			trans	81.2	116.4	161.8	-88.6	-95.5	0	0	0	123.6
1174	M	27	Very low	27.5	Very low	158 Å²	158	155.5 Å²	155.5	78%	0.778	80%	0.795	S	S	*	*			trans	53.8	163.5	133.2	-66.9	-171.8	176.9	0	0	121
1175	T	27.6	Very low	27.2	Very low	129 Å²	129	157.9 Å²	157.9	79%	0.791	80%	0.795	S	S	*	*			cis	-140.6	172.6	22.2	50.6	0	0	0	0	114.8
1176	H	27.3	Very low	27.5	Very low	174 Å²	174	154.8 Å²	154.8	81%	0.806	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-74.3	170.3	165.7	-57.1	-102	0	0	0	113.2
1177	P	31.2	Very low	27.3	Very low	126 Å²	126	157.9 Å²	157.9	82%	0.818	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-102	147.4	139.7	35.3	-28.6	0	0	0	112
1178	E	25.1	Very low	27.4	Very low	163 Å²	163	154.3 Å²	154.3	76%	0.762	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-94.5	162.9	176.5	-56.7	-179.8	143.7	0	0	111.9
1179	F	26	Very low	27.7	Very low	218 Å²	218	155.5 Å²	155.5	96%	0.956	80%	0.796	S	S	*	*			trans	-134.7	142.3	149.1	-107.1	-86.1	0	0	0	109.8
1180	R	24	Very low	27.8	Very low	222 Å²	222	159 Å²	159	84%	0.838	81%	0.806	S	S	*	*			trans	-92	159	-174.4	-78.9	-176.9	173.9	178.6	-3.3	113.1
1181	I	29.6	Very low	27.8	Very low	145 Å²	145	159.8 Å²	159.8	74%	0.744	81%	0.81	S	S	*	*			trans	-92.4	144.1	165	-58	171.5	0	0	0	107.9
1182	E	26.5	Very low	27.8	Very low	191 Å²	191	156.7 Å²	156.7	89%	0.893	80%	0.801	S	S	*	*			trans	-124.8	136.9	158.2	-69.9	-167.8	150.9	0	0	108.8
1183	D	28.4	Very low	27.9	Very low	155 Å²	155	157.3 Å²	157.3	83%	0.829	80%	0.804	S	S	*	*			trans	-90	148.1	-170.8	-61.7	-60.8	0	0	0	113.1
1184	S	27.3	Very low	28	Very low	119 Å²	119	154.7 Å²	154.7	83%	0.832	80%	0.8	S	S	*	*			trans	-154.9	98	159.7	45.9	0	0	0	0	112.7
1185	E	27.1	Very low	28.1	Very low	177 Å²	177	154.6 Å²	154.6	83%	0.827	80%	0.803	S	S	*	*			trans	-81.2	160.1	158.3	-60	-164.5	143.6	0	0	110.3
1186	P	32.1	Very low	28.2	Very low	116 Å²	116	152.9 Å²	152.9	75%	0.753	80%	0.802	S	S	*	*				-147	141.5	94.1	35.9	-19.1	0	0	0	117
1187	H	25.6	Very low	28.4	Very low	169 Å²	169	154 Å²	154	78%	0.782	81%	0.807	S	S	*	*			trans	38.5	119.8	144.8	-66.6	-42.6	0	0	0	122.6
1188	I	28.2	Very low	28.4	Very low	165 Å²	165	155.7 Å²	155.7	85%	0.846	81%	0.81	S	S	*	*			trans	-128.5	138.9	133.4	-65.3	-175.8	0	0	0	106.7
1189	P	32	Very low	28.6	Very low	119 Å²	119	155.1 Å²	155.1	77%	0.773	81%	0.811	S	S	*	*			trans	-82.4	157.5	-164.1	32	-37.1	0	0	0	115.4
1190	L	27.3	Very low	28.9	Very low	168 Å²	168	148.8 Å²	148.8	88%	0.88	80%	0.799	S	S	*	*			trans	-67.9	149.3	166.5	-73.3	153.8	0	0	0	111.7
1191	I	31.2	Very low	30.3	Very low	166 Å²	166	143 Å²	143	85%	0.851	79%	0.791	S	S	*	*			trans	-116.9	127.2	145.4	-67.8	179.3	0	0	0	105.8
1192	D	28.5	Very low	30.3	Very low	132 Å²	132	141.9 Å²	141.9	71%	0.706	79%	0.791	S	S	*	*			trans	-92.2	145.3	176	-176.9	15.4	0	0	0	109.2
1193	D	28.1	Very low	30.5	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	78%	0.784	S	S	*	*			trans	-170.5	99.7	151.9	-106.6	-31.4	0	0	0	110.4
1194	T	28.6	Very low	30.5	Very low	96 Å²	96	144.8 Å²	144.8	59%	0.589	79%	0.787	S	S	*	*				35.3	122.3	127.7	57.1	0	0	0	0	117.7
1195	D	28.8	Very low	30.7	Very low	156 Å²	156	147 Å²	147	83%	0.834	79%	0.789	S	S	*	*			cis	-175	166.5	45.2	-115.1	-15.5	0	0	0	113.6
1196	A	29.6	Very low	30.7	Very low	92 Å²	92	144.4 Å²	144.4	76%	0.76	79%	0.791	S	S	*	*			trans	60.2	88.9	154.8	0	0	0	0	0	120.8
1197	E	32.2	Very low	30.6	Very low	198 Å²	198	144.4 Å²	144.4	93%	0.925	79%	0.793	S	S	*	*				-79.3	153.5	129.2	-69	-167.7	137.5	0	0	109.3
1198	D	31.3	Very low	31.7	Very low	162 Å²	162	141.6 Å²	141.6	87%	0.866	79%	0.79	S	S	*	*			trans	-143.9	68.3	165.9	-154.4	9.7	0	0	0	111.9
1199	D	27.6	Very low	32.9	Very low	150 Å²	150	139.4 Å²	139.4	80%	0.802	79%	0.787	S	S	*	*			trans	49	165.9	144.4	-131.7	-29.1	0	0	0	123.1
1200	A	34	Very low	33.4	Very low	85 Å²	85	139.5 Å²	139.5	70%	0.702	79%	0.787	S	S	*	*			trans	-113.9	-126.3	-179.1	0	0	0	0	0	109
1201	P	51.6	Low	33.6	Very low	101 Å²	101	136.3 Å²	136.3	66%	0.656	78%	0.779	S	S	*	*			cis	-127.2	-177.4	-32.1	39.9	-25.9	0	0	0	112.8
1202	T	31.2	Very low	34.5	Very low	121 Å²	121	133.7 Å²	133.7	74%	0.742	77%	0.773	S	S	*	*				-171	116.7	128	17.6	0	0	0	0	117.3
1203	K	29.5	Very low	34.8	Very low	175 Å²	175	134.6 Å²	134.6	76%	0.761	78%	0.778	S	S	*	*			trans	58.9	110.1	131.8	-68.5	171.6	-173.9	164.7	0	123.4
1204	R	29.8	Very low	35.1	Very low	233 Å²	233	136 Å²	136	88%	0.879	78%	0.777	S	S	*	*				85	115.9	117.9	-72.3	-174.1	173.5	-175.1	-2.7	122.5
1205	N	29.8	Very low	35.3	Very low	165 Å²	165	138 Å²	138	88%	0.882	78%	0.784	S	S	*	*			trans	-35.9	146.5	161.1	-45.8	-4.7	0	0	0	118.6
1206	S	27.7	Very low	35.4	Very low	123 Å²	123	137.5 Å²	137.5	86%	0.86	78%	0.781	S	S	*	*			trans	-148.9	171.2	138.4	62	0	0	0	0	109.4
1207	S	29.6	Very low	35.8	Very low	115 Å²	115	140 Å²	140	80%	0.804	78%	0.782	S	S	*	*			trans	-135.5	-167	-168.1	62.3	0	0	0	0	113.3
1208	P	49.8	Very low	35.6	Very low	111 Å²	111	134.9 Å²	134.9	72%	0.721	77%	0.774	S	S	*	*				-106.9	-158.7	-117.8	42.4	-25.5	0	0	0	113
1209	P	51.9	Low	35.7	Very low	119 Å²	119	133.3 Å²	133.3	77%	0.773	77%	0.77	S	S	*	*			cis	-111.7	-135.3	-27.1	32.3	-9.9	0	0	0	108.3
1210	P	42.8	Very low	35.7	Very low	121 Å²	121	133 Å²	133	79%	0.786	77%	0.768	S	S	*	*			cis	-131.7	-140	-19.5	42.1	-21.2	0	0	0	113.8
1211	S	33	Very low	35.5	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	77%	0.771	S	S	*	*			trans	-120.9	-172.6	175.8	64.7	0	0	0	0	110.3
1212	P	50.2	Low	34.3	Very low	111 Å²	111	132.8 Å²	132.8	72%	0.721	78%	0.775	S	S	*	*			cis	-146.6	178.8	3.4	43.6	-23.6	0	0	0	119.3
1213	N	34.3	Very low	34.3	Very low	151 Å²	151	134.5 Å²	134.5	81%	0.807	78%	0.778	S	S	*	*			trans	93.3	160.5	135.7	-140.2	-3.4	0	0	0	124.1
1214	K	34.8	Very low	34.2	Very low	171 Å²	171	133.9 Å²	133.9	74%	0.743	78%	0.778	S	S	*	*			trans	84	143.6	166.3	-76.8	-174.8	171.6	-177.8	0	119.2
1215	N	30.8	Very low	34.1	Very low	138 Å²	138	128.8 Å²	128.8	74%	0.738	77%	0.767	S	S	*	*			cis	-124.8	-163.3	-1.2	-78.4	-49.8	0	0	0	109.7
1216	N	32.4	Very low	33.9	Very low	144 Å²	144	126.2 Å²	126.2	77%	0.77	76%	0.757	S	S	*	*			cis	-156.8	-175.4	10.1	-157.9	7.2	0	0	0	112.4
1217	N	36.4	Very low	33.8	Very low	144 Å²	144	127.2 Å²	127.2	77%	0.77	75%	0.752	S	S	*	*			trans	-121.2	153.6	-167.1	-59.9	-23.3	0	0	0	117.2
1218	A	29.6	Very low	33.6	Very low	92 Å²	92	129.5 Å²	129.5	76%	0.76	75%	0.75	S	S	*	*			trans	179.8	118.3	131.2	0	0	0	0	0	108.7
1219	V	33.6	Very low	32.5	Very low	129 Å²	129	132 Å²	132	78%	0.782	75%	0.754	S	S	*	*				71.7	127.1	63.7	179.7	0	0	0	0	111
1220	D	27.1	Very low	31.3	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	75%	0.749	S	S	*	*			cis	-142.6	-157.6	30.5	-147.9	-22.9	0	0	0	116.1
1221	S	30	Very low	30.5	Very low	110 Å²	110	135 Å²	135	77%	0.769	75%	0.749	S	S	*	*			trans	-130.3	164.2	-148.8	-39.5	0	0	0	0	115.3
1222	G	26.2	Very low	30.2	Very low	72 Å²	72	135.5 Å²	135.5	74%	0.742	75%	0.752	S	S	*	*			trans	178.1	142.4	169.1	0	0	0	0	0	114.7
1223	I	31.5	Very low	29.1	Very low	156 Å²	156	134.3 Å²	134.3	80%	0.8	75%	0.751	S	S	*	*			trans	-143.8	153	-166.1	-63.3	179.7	0	0	0	112.8
1224	H	27.4	Very low	28.8	Very low	163 Å²	163	133.4 Å²	133.4	76%	0.755	75%	0.751	S	S	*	*			trans	93.6	131.4	154.4	-91.6	-30.9	0	0	0	123.7
1225	L	27.4	Very low	28.4	Very low	126 Å²	126	130.1 Å²	130.1	66%	0.66	75%	0.75	S	S	*	*			trans	79.7	100.8	131.9	-74	167.5	0	0	0	124
1226	T	24.9	Very low	28.2	Very low	110 Å²	110	129.3 Å²	129.3	68%	0.675	76%	0.755	S	S	*	*				68.1	144.7	123.1	49.2	0	0	0	0	125.4
1227	I	26.9	Very low	28.1	Very low	145 Å²	145	128 Å²	128	74%	0.744	76%	0.757	S	S	*	*			trans	105.4	131	135.8	-88.1	160.6	0	0	0	121.3
1228	E	24.7	Very low	28.3	Very low	163 Å²	163	127.5 Å²	127.5	76%	0.762	76%	0.762	S	S	*	*			trans	61.9	119.9	156.3	-76.8	171.3	-162.8	0	0	126.9
1229	M	27.4	Very low	28.1	Very low	162 Å²	162	126.5 Å²	126.5	80%	0.798	76%	0.76	S	S	*	*				23	129.4	127.6	-65.9	-177.9	154.9	0	0	121.7
1230	N	25.4	Very low	28	Very low	128 Å²	128	125.7 Å²	125.7	68%	0.684	76%	0.76	S	S	*	*				-175.6	151.5	102	-105.1	-78.5	0	0	0	116.5
1231	K	26.2	Very low	28.6	Very low	177 Å²	177	125 Å²	125	77%	0.77	76%	0.764	S	S	*	*			trans	40.7	106.7	145.6	-69.6	163.5	-174	172.3	0	123.3
1232	S	27.3	Very low	28.6	Very low	111 Å²	111	127.1 Å²	127.1	78%	0.776	77%	0.766	S	S	*	*				13.9	136.6	118.8	61.1	0	0	0	0	122.2
1233	A	27.3	Very low	28.7	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	77%	0.77	S	S	*	*				-172.1	145.7	122.4	0	0	0	0	0	113.2
1234	T	26.7	Very low	28.7	Very low	131 Å²	131	128.2 Å²	128.2	80%	0.804	76%	0.756	S	S	*	*			trans	43.4	157.2	144.4	52.5	0	0	0	0	123.3
1235	S	27.6	Very low	29	Very low	102 Å²	102	127.2 Å²	127.2	71%	0.713	76%	0.756	S	S	*	*			cis	168.5	129.1	-39.5	51.6	0	0	0	0	109.5
1236	S	26.7	Very low	29.1	Very low	121 Å²	121	128.2 Å²	128.2	85%	0.846	76%	0.757	S	S	*	*			trans	-173.4	139.8	155.4	50.2	0	0	0	0	113.7
1237	S	30.4	Very low	29.5	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	76%	0.758	S	S	*	*			trans	-113	151.8	155.6	-50.8	0	0	0	0	107.9
1238	P	40.6	Very low	29.7	Very low	134 Å²	134	126.7 Å²	126.7	87%	0.87	76%	0.759	S	S	*	*				-140.9	-177.9	90.8	37.4	-21.4	0	0	0	111.7
1239	G	24.9	Very low	30.2	Very low	70 Å²	70	130.5 Å²	130.5	72%	0.722	78%	0.783	S	S	*	*			cis	-175.2	169.2	-1.9	0	0	0	0	0	110.5
1240	S	31	Very low	30.3	Very low	112 Å²	112	129 Å²	129	78%	0.783	78%	0.782	S	S	*	*			trans	-77.5	172.4	-176.8	-46.8	0	0	0	0	113.3
1241	P	39.9	Very low	30.6	Very low	130 Å²	130	129 Å²	129	84%	0.844	79%	0.788	S	S	*	*				-133.8	160.1	83.3	35.1	-22.1	0	0	0	115.6
1242	L	30.3	Very low	30.8	Very low	154 Å²	154	126.3 Å²	126.3	81%	0.806	79%	0.789	S	S	*	*			trans	-93.2	154.8	169	-79	153	0	0	0	110.6
1243	H	28.3	Very low	31	Very low	177 Å²	177	127.2 Å²	127.2	82%	0.819	79%	0.789	S	S	*	*				170.2	149.9	130	-102.5	-92.7	0	0	0	109.2
1244	S	32.1	Very low	31.2	Very low	74 Å²	74	129.8 Å²	129.8	52%	0.517	79%	0.794	S	S	.	*			cis	-179.8	142.6	-29	54.5	0	0	0	0	110.2
1245	L	32.7	Very low	31.5	Very low	142 Å²	142	129.7 Å²	129.7	74%	0.743	79%	0.794	S	S	*	*			trans	64.8	165.3	149.9	-59.1	163.4	0	0	0	116.3
1246	E	30.2	Very low	31.8	Very low	147 Å²	147	131.7 Å²	131.7	69%	0.687	80%	0.799	S	S	*	*			cis	-147.4	150.1	1.1	-142.2	140.7	-150.7	0	0	114
1247	T	32.2	Very low	32.2	Very low	113 Å²	113	132.5 Å²	132.5	69%	0.693	80%	0.796	S	S	*	*			trans	23.4	125.3	152.4	57.2	0	0	0	0	124.3
1248	S	31.7	Very low	32.4	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	79%	0.794	S	S	*	*				61.2	119.7	116.2	-44.3	0	0	0	0	122.4
1249	L	34.6	Very low	31.6	Very low	243 Å²	243	133.8 Å²	133.8	100%	1.272	79%	0.787	S	S	*	*				-147	0	109.1	-116.5	167.7	0	0	0	110.4

Retrieved 1,249 of 1,249 residues in 232 ms (Link to these results)

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