A0A087XNY2_POEFO Loading...

ADAM metallopeptidase domain 8a

AlphaFold DB , UniProt , Accession A0A087XNY2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 888 aa.

						>A0A087XNY2_POEFO|A0A087XNY2
MTESVRQSNMTHSGYFIWIFISSWGIIAGNVKNLPHVIKYQTATPQRLQGMPLPNDVAAAHKKYPDVVQYSFSIAGKNHTLHLEKNKGLVGKSFTVTYNSDQGTQVSTTSDHEDHCYYHGHVVGVEDSSASIGLCSGMKGFIALQDQMYLIEPLPGETTGQQDEAHSDNNLHAVYNYKHLRRKRSSCSHGNTTTFYDHGARPSGLFQLGSLTSRAQTRDHKAKPRTVELAVVVDNTEYKKYGSTKAVEARVLEVANHVDKLYRPVGVRVMLVGLHVWSYKDEIEVSTNPEVTLGRFLEWRQRHLLPRTKHDNAQFITGVDFEGSTVGLANTNAMCTSNSGAVNEDHNTNSIGVASTIAHEMGHNLGLSHDTENCVCGSLASKKGCIMAESVGLVYPKQFSSCSQQQLSRFLEEINPACLLDIPSADRIYGGPVCGNAFLEPGEECDCGTVEECKNPCCNATTCKLNAGAECAEGQCCHKCQLKPTGSICRPKAGDCDLAEYCTGLSAACPTDAFTQNGRPCNRGRGYCYNGQCPSRQDHCKRLWGPDAEVAVDACFSKYGTCRRTLFNQKCSSRDQSCGKLFCSGGWDFPITSRKSLYQVGNRINCNEATMNPEDNYPSDLGMVPTGTRCGNNMVCYNQKCEDIKSIKAYGTNDCSSKCNNHGVCNHESKCHCDPGWAPPFCAVQQSELTEESGLAIVIVSVIVGLILLLVILIGSLTCFLRKRTPTKRFLPVTSGQSNPVFQSSTRRGSSRLGSTHISQPTFVESSVSQPCKPLFSAAVKPQTGALKPCRAAPAPPEKEPVASHLSKVHQVARTFMQPPNVSKLPIYSENKPLPPSRPLPPLASKPNMKPKPPMPPLKPKPSPVQSALPHSQLLGRRAPLMPPSRPR
					

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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	33.1	Very low	29.7	Very low	230 Å²	230	143.3 Å²	143.3	100%	1.133	76%	0.76	S	S	*	*				0	86.8	0	-74.8	172	177.7	0	0	106.1
2	T	30.4	Very low	29.7	Very low	126 Å²	126	144.8 Å²	144.8	77%	0.773	76%	0.758	S	S	*	*				73.7	120.4	94.7	48.7	0	0	0	0	109.5
3	E	29.9	Very low	29.8	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.822	76%	0.756	S	S	*	*			cis	-160.8	144.8	20.2	-94.7	164.6	137	0	0	105.4
4	S	28.8	Very low	29.8	Very low	97 Å²	97	136.1 Å²	136.1	68%	0.678	75%	0.75	S	S	*	*				58.4	99.8	53.2	-178.7	0	0	0	0	115.5
5	V	32.8	Very low	30	Very low	136 Å²	136	141 Å²	141	82%	0.824	76%	0.755	S	S	*	*			trans	-142.9	104.7	138.7	-175	0	0	0	0	106.1
6	R	31	Very low	30	Very low	197 Å²	197	142.6 Å²	142.6	74%	0.743	75%	0.753	S	S	*	*				56.3	136.1	90.4	-101.7	178.3	171.6	178.4	4.4	112
7	Q	28.9	Very low	30.2	Very low	133 Å²	133	142.4 Å²	142.4	62%	0.621	75%	0.751	S	S	*	*			cis	-171.6	122.8	14.9	-144.6	149.5	-9.8	0	0	103.3
8	S	28.1	Very low	30.1	Very low	101 Å²	101	146.9 Å²	146.9	71%	0.706	76%	0.756	S	S	*	*				52.2	119.4	89.4	-48.5	0	0	0	0	114.1
9	N	26.1	Very low	30.4	Very low	141 Å²	141	145.6 Å²	145.6	75%	0.754	75%	0.749	S	S	*	*			trans	178.4	138.7	133	-93.2	-2.5	0	0	0	107.8
10	M	27.9	Very low	30.6	Very low	138 Å²	138	147.5 Å²	147.5	68%	0.68	75%	0.752	S	S	*	*			cis	-175.4	137.1	-2.8	-130.1	173.8	80.1	0	0	104.9
11	T	29.3	Very low	30.7	Very low	101 Å²	101	148.4 Å²	148.4	62%	0.62	76%	0.757	S	S	*	*			trans	56.9	145.1	134.3	58.9	0	0	0	0	120.2
12	H	30.2	Very low	30.6	Very low	161 Å²	161	143 Å²	143	75%	0.745	74%	0.742	S	S	*	*			cis	-169.5	158.6	16.9	-135.4	-78.6	0	0	0	107.8
13	S	30.3	Very low	30.9	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	74%	0.737	S	S	*	*			trans	56.2	114.7	154.9	-68.8	0	0	0	0	117.9
14	G	30.8	Very low	31	Very low	65 Å²	65	145.3 Å²	145.3	67%	0.67	74%	0.744	S	S	*	*				83.2	94.3	51	0	0	0	0	0	109.4
15	Y	31.8	Very low	31	Very low	209 Å²	209	144 Å²	144	82%	0.82	75%	0.746	S	S	*	*			trans	153.1	111.9	132.9	-97.8	-102.4	0	0	0	111.8
16	F	30.9	Very low	31.1	Very low	166 Å²	166	145.2 Å²	145.2	73%	0.728	75%	0.746	S	S	*	*			trans	68.5	126.1	134.6	-84.4	-102.5	0	0	0	121.7
17	I	33.6	Very low	31.2	Very low	139 Å²	139	143.4 Å²	143.4	71%	0.713	75%	0.749	S	S	*	*			trans	96.3	92.4	145.2	-59.9	157.7	0	0	0	116.7
18	W	27.4	Very low	31.4	Very low	225 Å²	225	141.3 Å²	141.3	85%	0.852	75%	0.754	S	S	*	*				57.5	117.7	112.7	-89.3	68.4	0	0	0	119.9
19	I	37.1	Very low	31.5	Very low	122 Å²	122	139 Å²	139	63%	0.626	75%	0.747	S	S	*	*			trans	86.2	133	149.7	-39.4	159.4	0	0	0	117.8
20	F	32.5	Very low	32	Very low	182 Å²	182	140.1 Å²	140.1	80%	0.798	75%	0.753	S	S	*	*			trans	87.8	90.2	167.4	-62.8	-73.5	0	0	0	116.4
21	I	33	Very low	32.8	Very low	167 Å²	167	138.4 Å²	138.4	86%	0.856	75%	0.75	S	S	*	*				-177.7	84.5	108.7	-76.7	145.9	0	0	0	106.6
22	S	32.1	Very low	34.2	Very low	118 Å²	118	138.3 Å²	138.3	83%	0.825	74%	0.741	S	S	*	*			trans	-112.5	79.1	160.3	59.1	0	0	0	0	106.9
23	S	37	Very low	35.5	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	74%	0.743	S	S	*	*			trans	-158.2	96.1	169.1	-75.2	0	0	0	0	106.2
24	W	32.4	Very low	37.6	Very low	254 Å²	254	133.4 Å²	133.4	96%	0.962	71%	0.712	S	S	*	*			trans	179.9	60.4	134.9	-89.4	29.5	0	0	0	105.7	I26	W24-I26 PolarHBondContact O-N 3.29Å
25	G	28.2	Very low	39.6	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	71%	0.713	S	S	*	*			trans	-70.6	109.9	158.9	0	0	0	0	0	106.6	I27	G25-I27 PolarHBondContact O-N 2.83Å
26	I	34.7	Very low	41.7	Very low	161 Å²	161	127 Å²	127	83%	0.826	68%	0.682	S	S	*	*			trans	-56.2	109.9	162.6	-65.4	172.7	0	0	0	105.6	W24 A28	W24-I26 PolarHBondContact O-N 3.29Å; I26-A28 PolarHBondContact O-N 3Å
27	I	33.1	Very low	43.9	Very low	159 Å²	159	119.5 Å²	119.5	82%	0.815	65%	0.649	S	S	*	*			trans	-66.8	86.3	169.2	-59.2	173.3	0	0	0	105.8	G25 G29	G25-I27 PolarHBondContact O-N 2.83Å; I27-G29 PolarHBondContact O-N 2.89Å
28	A	32.2	Very low	46.2	Very low	88 Å²	88	118 Å²	118	73%	0.727	64%	0.641	S	S	*	*			trans	-68.9	92.2	158.8	0	0	0	0	0	105.9	I26 N30	I26-A28 PolarHBondContact O-N 3Å; A28-N30 PolarHBondContact O-N 3.11Å
29	G	31.4	Very low	49	Very low	54 Å²	54	113.9 Å²	113.9	56%	0.557	63%	0.63	S	S	*	*			trans	-52.7	128.9	174.1	0	0	0	0	0	109.6	I27 V31	I27-G29 PolarHBondContact O-N 2.89Å; G29-V31 PolarHBondContact O-N 3Å
30	N	35.1	Very low	51.4	Low	163 Å²	163	110.2 Å²	110.2	87%	0.872	61%	0.608	S	S	*	*			trans	-49.8	102.8	173.9	-97.6	-41	0	0	0	110	A28 K32	A28-N30 PolarHBondContact O-N 3.11Å; N30-K32 PolarHBondContact O-N 3.29Å; N30-K32 VanDerWaalsContact O-N 3.1Å
31	V	45	Very low	54.1	Low	103 Å²	103	104.9 Å²	104.9	62%	0.624	59%	0.586	S	S	*	*			trans	-69.3	106.9	168.1	179.6	0	0	0	0	106.3	G29 N33	G29-V31 PolarHBondContact O-N 3Å; V31-N33 PolarHBondContact O-N 3.32Å
32	K	58.9	Low	56.7	Low	99 Å²	99	100.2 Å²	100.2	43%	0.43	57%	0.565	S	S	.	*			trans	-62.5	107.7	177.9	-70.3	-178.8	177	-179	0	108.7	N30 L34 Y40 P155	N30-K32 PolarHBondContact O-N 3.29Å; N30-K32 VanDerWaalsContact O-N 3.1Å; K32-L34 PolarHBondContact O-N 3.46Å; K32-Y40 PolarHBondContact O-OH 2.82Å; K32-P155 PolarHBondContact NZ-O 2.91Å
33	N	59	Low	59.3	Low	145 Å²	145	94.9 Å²	94.9	78%	0.775	53%	0.528	S	S	*	.			trans	-73.1	122.1	-175.4	-84.8	-32.6	0	0	0	111.2	V31	V31-N33 PolarHBondContact O-N 3.32Å
34	L	73.3	Confident	61.6	Low	16 Å²	16	92.9 Å²	92.9	8%	0.084	51%	0.512	C	S	.	.			trans	-87.9	113	165.5	-70	174	0	0	0	108.5	K32 H36 V37 Y40 E152 L154 A173 R181	K32-L34 PolarHBondContact O-N 3.46Å; L34-H36 PolarHBondContact O-N 3Å; L34-V37 HydrophobicContact CB-CB 3.92Å; L34-V37 HydrophobicContact CB-CG2 3.85Å; L34-V37 HydrophobicContact CD1-CB 4.48Å; L34-V37 HydrophobicContact CD1-CG2 3.99Å; L34-V37 PolarHBondContact O-N 2.94Å; L34-V37 VanDerWaalsContact O-O 3.08Å; L34-Y40 HydrophobicContact CD1-CD1 4.16Å; L34-Y40 HydrophobicContact CD1-CE1 4.3Å; L34-Y40 HydrophobicContact CD1-CG 4.49Å; L34-Y40 HydrophobicContact CG-CE1 4.34Å; L34-E152 HydrophobicContact CD1-CG 4.48Å; L34-L154 HydrophobicContact CD1-CD2 3.92Å; L34-L154 HydrophobicContact CD2-CD2 4.08Å; L34-L154 HydrophobicContact CG-CD2 3.97Å; L34-A173 HydrophobicContact CD1-CB 3.48Å; L34-A173 VanDerWaalsContact CD1-CB 3.48Å; L34-R181 PolarHBondContact O-NH1 3.48Å
35	P	72.2	Confident	64.2	Low	106 Å²	106	80.8 Å²	80.8	69%	0.688	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.6	-172.8	26.3	-33.8	0	0	0	112.9	R181	P35-R181 VanDerWaalsContact C-NH1 3.32Å; P35-R181 WeakPolarHBondContact O-CD 3.4Å; P35-R181 PolarHBondContact O-NH1 2.6Å
36	H	76.6	Confident	67	Low	35 Å²	35	82.9 Å²	82.9	16%	0.162	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-0.2	175	59	-71	0	0	0	114.2	L34 E152 R181	L34-H36 PolarHBondContact O-N 3Å; H36-E152 IonicContact CD2-OE1 3.92Å; H36-E152 IonicContact CE1-OE1 3.66Å; H36-E152 IonicContact CE1-OE2 3.74Å; H36-E152 VanDerWaalsContact NE2-CD 3.3Å; H36-E152 IonicContact NE2-OE1 3.66Å; H36-E152 PolarHBondContact NE2-OE1 2.86Å; H36-E152 IonicContact NE2-OE2 3.27Å; H36-E152 PolarHBondContact NE2-OE2 3.41Å; H36-E152 VanDerWaalsContact NE2-OE2 3.1Å; H36-R181 PolarHBondContact O-N 3.15Å
37	V	78.1	Confident	69.4	Low	7 Å²	7	80.1 Å²	80.1	4%	0.042	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-124.1	133.9	-175.6	-169.8	0	0	0	0	111.3	L34 K39 Y40 Y175 H179 R181	L34-V37 HydrophobicContact CB-CB 3.92Å; L34-V37 HydrophobicContact CB-CG2 3.85Å; L34-V37 HydrophobicContact CD1-CB 4.48Å; L34-V37 HydrophobicContact CD1-CG2 3.99Å; L34-V37 PolarHBondContact O-N 2.94Å; L34-V37 VanDerWaalsContact O-O 3.08Å; V37-K39 WeakPolarHBondContact CG1-O 3.41Å; V37-Y40 HydrophobicContact CG1-CD1 4.39Å; V37-Y175 HydrophobicContact CG1-CD1 3.99Å; V37-Y175 HydrophobicContact CG1-CD2 3.82Å; V37-Y175 HydrophobicContact CG1-CE1 4.28Å; V37-Y175 HydrophobicContact CG1-CE2 4.1Å; V37-Y175 HydrophobicContact CG1-CG 3.75Å; V37-Y175 HydrophobicContact CG2-CD1 4.32Å; V37-Y175 HydrophobicContact CG2-CD2 4.4Å; V37-Y175 HydrophobicContact CG2-CE1 3.78Å; V37-Y175 HydrophobicContact CG2-CE2 3.85Å; V37-H179 CarbonylContact C-O 3.57Å; V37-H179 WeakPolarHBondContact CA-O 3.21Å; V37-H179 HydrophobicContact CG1-CB 4.41Å; V37-R181 PolarHBondContact O-NH1 2.93Å
38	I	81.6	Confident	71.8	Confident	107 Å²	107	75.7 Å²	75.7	55%	0.549	41%	0.414	S	S	.	.	S	Bend	trans	-78.9	-45.7	178.1	-59.6	170.2	0	0	0	110.4	H179 R181	I38-H179 HydrophobicContact CB-CB 4.32Å; I38-H179 WeakPolarHBondContact CB-O 3.48Å; I38-H179 WeakPolarHBondContact CG1-O 3.28Å; I38-H179 PolarHBondContact N-O 2.75Å; I38-R181 HydrophobicContact CG1-CG 3.84Å
39	K	84.8	Confident	73.4	Confident	140 Å²	140	80.6 Å²	80.6	61%	0.609	42%	0.422	S	S	*	.			trans	-151.1	134.3	-177.3	-175.7	178.3	-179.4	179.1	0	110.2	V37 Y175 H179	V37-K39 WeakPolarHBondContact CG1-O 3.41Å; K39-Y175 VanDerWaalsContact O-CB 3.25Å; K39-Y175 WeakPolarHBondContact O-CB 3.38Å; K39-H179 HydrophobicContact CB-CB 4.42Å; K39-H179 VanDerWaalsContact O-CB 3.27Å; K39-H179 WeakPolarHBondContact O-CB 3.25Å
40	Y	88.5	Confident	74.4	Confident	45 Å²	45	81 Å²	81	18%	0.176	43%	0.427	C	S	.	.			trans	-141.5	160.1	174.1	69.5	-90.8	0	0	0	111.8	K32 L34 V37 T42 L154 A173	K32-Y40 PolarHBondContact O-OH 2.82Å; L34-Y40 HydrophobicContact CD1-CD1 4.16Å; L34-Y40 HydrophobicContact CD1-CE1 4.3Å; L34-Y40 HydrophobicContact CD1-CG 4.49Å; L34-Y40 HydrophobicContact CG-CE1 4.34Å; V37-Y40 HydrophobicContact CG1-CD1 4.39Å; Y40-T42 HydrophobicContact CD2-CG2 4.42Å; Y40-T42 HydrophobicContact CE2-CG2 3.86Å; Y40-L154 HydrophobicContact CE2-CD1 4.08Å; Y40-L154 HydrophobicContact CE2-CD2 4.24Å; Y40-A173 HydrophobicContact CD2-CB 3.6Å; Y40-A173 HydrophobicContact CE2-CB 4.18Å; Y40-A173 HydrophobicContact CG-CB 3.91Å
41	Q	88.9	Confident	74.4	Confident	69 Å²	69	82.1 Å²	82.1	32%	0.322	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147.6	168.3	174	178.8	2.6	0	0	108.3	V174	Q41-V174 PolarHBondContact N-O 3.1Å; Q41-V174 PolarHBondContact O-N 3.12Å
42	T	87.8	Confident	74.2	Confident	70 Å²	70	82.7 Å²	82.7	43%	0.429	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.8	170.4	50.7	0	0	0	0	110.8	Y40 L154 L171 H172	Y40-T42 HydrophobicContact CD2-CG2 4.42Å; Y40-T42 HydrophobicContact CE2-CG2 3.86Å; T42-L154 HydrophobicContact CG2-CD1 3.87Å; T42-L171 HydrophobicContact CG2-CD1 4.48Å; T42-L171 HydrophobicContact CG2-CD2 3.82Å; T42-L171 HydrophobicContact CG2-CG 4.1Å; T42-H172 CarbonylContact C-O 3.48Å; T42-H172 VanDerWaalsContact CA-O 3.26Å; T42-H172 WeakPolarHBondContact CA-O 3.44Å
43	A	86.6	Confident	73.4	Confident	5 Å²	5	84.5 Å²	84.5	4%	0.041	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.7	172.5	0	0	0	0	0	109.7	H172 V174	A43-H172 PolarHBondContact N-O 3.03Å; A43-H172 WeakPolarHBondContact O-CB 3.45Å; A43-H172 PolarHBondContact O-N 3.38Å; A43-V174 HydrophobicContact CB-CG2 3.61Å
44	T	86	Confident	72.5	Confident	54 Å²	54	83.4 Å²	83.4	33%	0.331	45%	0.449	S	S	.	.			trans	-118.9	102.8	172.6	-56.9	0	0	0	0	107.3	Q46 N169	T44-Q46 PolarHBondContact O-N 2.79Å; T44-N169 HydrophobicContact CG2-CB 4.48Å; T44-N169 WeakPolarHBondContact CG2-O 3.27Å
45	P	86.9	Confident	70.9	Confident	1 Å²	1	89.8 Å²	89.8	1%	0.006	48%	0.483	C	S	.	.			trans	-63.2	114.2	176.7	-19.6	32.5	0	0	0	110.6	Y70 M138 I151 H172	P45-Y70 HydrophobicContact CB-CD1 3.77Å; P45-Y70 HydrophobicContact CB-CE1 4.43Å; P45-M138 HydrophobicContact CB-CE 3.8Å; P45-M138 HydrophobicContact CB-SD 4.2Å; P45-M138 HydrophobicContact CG-CB 4.33Å; P45-M138 HydrophobicContact CG-CE 4.3Å; P45-M138 HydrophobicContact CG-SD 4.1Å; P45-I151 HydrophobicContact CG-CD1 3.97Å; P45-H172 WeakPolarHBondContact CD-ND1 3.39Å
46	Q	86.3	Confident	69.5	Low	114 Å²	114	89.7 Å²	89.7	53%	0.533	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.7	175.5	-68.2	-173.4	-14.1	0	0	109.2	T44 L48 Y70 S71	T44-Q46 PolarHBondContact O-N 2.79Å; Q46-L48 PolarHBondContact O-N 3.11Å; Q46-Y70 CarbonylContact O-C 3.54Å; Q46-Y70 WeakPolarHBondContact O-CA 3.26Å; Q46-S71 PolarHBondContact N-O 2.8Å; Q46-S71 PolarHBondContact O-N 2.89Å; Q46-S71 PolarHBondContact O-OG 2.8Å
47	R	86	Confident	67.8	Low	103 Å²	103	93.9 Å²	93.9	39%	0.389	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	123.4	174.4	-171.9	172.7	171.2	-170.1	-7.6	109.6	Y70	R47-Y70 HydrophobicContact CB-CD1 4.02Å; R47-Y70 HydrophobicContact CB-CE1 3.63Å; R47-Y70 HydrophobicContact CG-CE1 4.19Å; R47-Y70 HydrophobicContact CG-CE2 4.42Å
48	L	83.1	Confident	66.3	Low	65 Å²	65	97.5 Å²	97.5	34%	0.34	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.1	174.5	-58.9	179	0	0	0	108.1	Q46 G50 Q69 T80	Q46-L48 PolarHBondContact O-N 3.11Å; L48-G50 PolarHBondContact O-N 3.04Å; L48-Q69 HydrophobicContact CB-CB 4.13Å; L48-Q69 HydrophobicContact CD1-CB 4.28Å; L48-Q69 PolarHBondContact N-O 3.47Å; L48-T80 HydrophobicContact CD1-CG2 3.69Å
49	Q	64.5	Low	64.6	Low	191 Å²	191	95 Å²	95	89%	0.893	53%	0.531	S	S	*	.			trans	-74.2	114.7	172.7	-71.2	-178.1	-3.9	0	0	108.7
50	G	52.5	Low	62.7	Low	64 Å²	64	92.3 Å²	92.3	66%	0.66	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-68.2	141.2	167.2	0	0	0	0	0	110	L48 P52	L48-G50 PolarHBondContact O-N 3.04Å; G50-P52 WeakPolarHBondContact O-CD 3.4Å
51	M	36.6	Very low	60.8	Low	186 Å²	186	98.2 Å²	98.2	92%	0.916	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-60.1	122.6	165.9	-80.4	-169	-80	0	0	108.2	L53	M51-L53 PolarHBondContact O-N 3.42Å
52	P	40	Very low	59.6	Low	115 Å²	115	100 Å²	100	75%	0.747	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-60.8	128.1	175.3	-17.9	29.4	0	0	0	109.3	G50	G50-P52 WeakPolarHBondContact O-CD 3.4Å
53	L	41.7	Very low	59	Low	137 Å²	137	103 Å²	103	72%	0.717	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-59.3	139.1	161.7	-85.8	149.6	0	0	0	107.7	M51 N55 D56	M51-L53 PolarHBondContact O-N 3.42Å; L53-N55 PolarHBondContact O-N 3.08Å; L53-D56 PolarHBondContact O-N 2.85Å
54	P	40.8	Very low	58.9	Low	122 Å²	122	104.5 Å²	104.5	79%	0.792	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-3.2	-163.8	-25.3	34.1	0	0	0	117.5
55	N	38.7	Very low	58.7	Low	150 Å²	150	103.2 Å²	103.2	80%	0.802	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	-2.4	-172.7	-76.8	-11.5	0	0	0	115.9	L53 V57	L53-N55 PolarHBondContact O-N 3.08Å; N55-V57 PolarHBondContact O-N 2.85Å
56	D	42.8	Very low	58.4	Low	103 Å²	103	105.5 Å²	105.5	55%	0.551	59%	0.587	S	S	*	*			trans	-95.2	62.6	-176.6	-81.8	-32.7	0	0	0	113.7	L53 A58 A59	L53-D56 PolarHBondContact O-N 2.85Å; D56-A58 PolarHBondContact O-N 3.19Å; D56-A59 HydrophobicContact CB-CB 3.93Å; D56-A59 PolarHBondContact O-N 3.03Å
57	V	42.5	Very low	58.3	Low	124 Å²	124	103.7 Å²	103.7	75%	0.752	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-20.4	171.6	-173.9	0	0	0	0	111.3	N55	N55-V57 PolarHBondContact O-N 2.85Å
58	A	45.7	Very low	58.4	Low	83 Å²	83	99.2 Å²	99.2	69%	0.686	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-25	177.3	0	0	0	0	0	114.4	D56 A60	D56-A58 PolarHBondContact O-N 3.19Å; A58-A60 VanDerWaalsContact C-N 3.32Å; A58-A60 PolarHBondContact O-N 2.8Å
59	A	45.6	Very low	58.7	Low	55 Å²	55	99.7 Å²	99.7	46%	0.455	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-76.2	-18.9	-178	0	0	0	0	0	113.4	D56 H61	D56-A59 HydrophobicContact CB-CB 3.93Å; D56-A59 PolarHBondContact O-N 3.03Å; A59-H61 PolarHBondContact O-N 3.47Å
60	A	45.3	Very low	59.9	Low	83 Å²	83	91 Å²	91	69%	0.686	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-70.8	-8.4	-176.1	0	0	0	0	0	114.8	A58	A58-A60 VanDerWaalsContact C-N 3.32Å; A58-A60 PolarHBondContact O-N 2.8Å
61	H	48.7	Very low	61.7	Low	169 Å²	169	89.2 Å²	89.2	78%	0.782	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-118.1	3.4	-173.2	-67.9	75.5	0	0	0	115.1	A59	A59-H61 PolarHBondContact O-N 3.47Å
62	K	63.6	Low	64	Low	107 Å²	107	80.7 Å²	80.7	47%	0.465	46%	0.462	S	S	.	.			trans	-84.8	127	175.9	-73.7	-174.9	176.1	-177.2	0	110.8	Y64 D66	K62-Y64 VanDerWaalsContact C-N 3.32Å; K62-Y64 PolarHBondContact O-N 2.86Å; K62-D66 IonicContact NZ-OD2 3.11Å
63	K	75	Confident	66.1	Low	132 Å²	132	76.7 Å²	76.7	57%	0.574	44%	0.437	S	S	*	.	S	Bend	trans	-60.5	-41.6	178.4	-174.6	-177.9	178.1	172.4	0	111.3	D114	K63-D114 WeakPolarHBondContact CB-OD2 3.38Å
64	Y	83.7	Confident	68.1	Low	36 Å²	36	70.3 Å²	70.3	14%	0.141	40%	0.403	C	S	.	.	S	Bend	trans	-117.2	104.4	172.9	-60.5	-64.6	0	0	0	110.2	K62 K85 D114 C116 Y118	K62-Y64 VanDerWaalsContact C-N 3.32Å; K62-Y64 PolarHBondContact O-N 2.86Å; Y64-K85 WeakPolarHBondContact O-CE 3.41Å; Y64-K85 PolarHBondContact O-NZ 3.01Å; Y64-D114 HydrophobicContact CD2-CB 4.34Å; Y64-D114 WeakPolarHBondContact CD2-O 3.35Å; Y64-D114 VanDerWaalsContact CD2-OD1 3.3Å; Y64-D114 WeakPolarHBondContact CD2-OD1 3.46Å; Y64-D114 VanDerWaalsContact CE2-O 3.24Å; Y64-D114 WeakPolarHBondContact CE2-O 3.47Å; Y64-D114 PolarHBondContact N-OD1 3.22Å; Y64-C116 HydrophobicContact CD1-CB 3.9Å; Y64-C116 HydrophobicContact CD2-CB 4.35Å; Y64-C116 HydrophobicContact CE1-CB 3.65Å; Y64-C116 HydrophobicContact CE2-CB 4.11Å; Y64-C116 HydrophobicContact CG-CB 4.25Å; Y64-Y118 WeakPolarHBondContact CB-OH 3.33Å
65	P	83.7	Confident	69.8	Low	27 Å²	27	67.7 Å²	67.7	18%	0.175	39%	0.392	C	S	.	.			trans	-67.3	161.3	178	-22.5	35.5	0	0	0	113.1	V68 Y118	P65-V68 HydrophobicContact CB-CG1 4.01Å; P65-V68 HydrophobicContact CG-CG1 4.12Å; P65-Y118 VanDerWaalsContact O-CE1 3.29Å; P65-Y118 WeakPolarHBondContact O-CE1 3.38Å; P65-Y118 PolarHBondContact O-OH 3.44Å
66	D	79.4	Confident	71.7	Confident	49 Å²	49	63.5 Å²	63.5	26%	0.262	39%	0.385	S	S	.	.	S	Bend	trans	-73.9	-31.1	-177.5	-67.2	-20.7	0	0	0	112.7	K62 E84 K85 K87	K62-D66 IonicContact NZ-OD2 3.11Å; D66-E84 WeakPolarHBondContact O-CA 3.33Å; D66-K85 PolarHBondContact O-N 2.78Å; D66-K85 IonicContact OD1-NZ 3.53Å; D66-K87 WeakPolarHBondContact OD1-CE 3.39Å; D66-K87 IonicContact OD1-NZ 3.05Å; D66-K87 PolarHBondContact OD1-NZ 2.97Å; D66-K87 WeakPolarHBondContact OD2-CE 3.3Å; D66-K87 IonicContact OD2-NZ 3.38Å; D66-K87 PolarHBondContact OD2-NZ 2.91Å
67	V	83.8	Confident	73.7	Confident	77 Å²	77	65.6 Å²	65.6	47%	0.467	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.8	177.6	-176.6	0	0	0	0	109.6	H82 L83 E84	V67-H82 WeakPolarHBondContact CG1-NE2 3.43Å; V67-L83 WeakPolarHBondContact CA-O 3.49Å; V67-E84 HydrophobicContact CG2-CG 4.29Å
68	V	89	Confident	75.9	Confident	8 Å²	8	66.2 Å²	66.2	5%	0.048	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.1	176.9	-64.1	0	0	0	0	111	P65 Y70 L83 Y118 L134	P65-V68 HydrophobicContact CB-CG1 4.01Å; P65-V68 HydrophobicContact CG-CG1 4.12Å; V68-Y70 HydrophobicContact CB-CE2 4.07Å; V68-Y70 HydrophobicContact CG2-CD2 4.23Å; V68-Y70 HydrophobicContact CG2-CE2 3.76Å; V68-L83 HydrophobicContact CG2-CB 3.74Å; V68-L83 HydrophobicContact CG2-CD1 4.2Å; V68-L83 PolarHBondContact N-O 2.54Å; V68-L83 PolarHBondContact O-N 3.2Å; V68-Y118 HydrophobicContact CG2-CD1 4.27Å; V68-Y118 HydrophobicContact CG2-CE1 4.09Å; V68-L134 HydrophobicContact CG2-CD1 3.9Å
69	Q	89.3	Confident	78	Confident	75 Å²	75	64 Å²	64	35%	0.35	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.8	175.1	-65.5	-174	9.9	0	0	110.4	L48 L81 H82	L48-Q69 HydrophobicContact CB-CB 4.13Å; L48-Q69 HydrophobicContact CD1-CB 4.28Å; L48-Q69 PolarHBondContact N-O 3.47Å; Q69-L81 WeakPolarHBondContact CA-O 2.99Å; Q69-H82 PolarHBondContact NE2-ND1 3.04Å
70	Y	90.6	Very high	80.1	Confident	9 Å²	9	63.5 Å²	63.5	4%	0.035	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.6	177.8	-76.2	-96.4	0	0	0	110.8	P45 Q46 R47 V68 T80 L81 L83 L134 M138 D168	P45-Y70 HydrophobicContact CB-CD1 3.77Å; P45-Y70 HydrophobicContact CB-CE1 4.43Å; Q46-Y70 CarbonylContact O-C 3.54Å; Q46-Y70 WeakPolarHBondContact O-CA 3.26Å; R47-Y70 HydrophobicContact CB-CD1 4.02Å; R47-Y70 HydrophobicContact CB-CE1 3.63Å; R47-Y70 HydrophobicContact CG-CE1 4.19Å; R47-Y70 HydrophobicContact CG-CE2 4.42Å; V68-Y70 HydrophobicContact CB-CE2 4.07Å; V68-Y70 HydrophobicContact CG2-CD2 4.23Å; V68-Y70 HydrophobicContact CG2-CE2 3.76Å; Y70-T80 CarbonylContact O-C 3.53Å; Y70-T80 WeakPolarHBondContact O-CA 3.19Å; Y70-L81 PolarHBondContact N-O 2.89Å; Y70-L81 PolarHBondContact O-N 3.15Å; Y70-L83 HydrophobicContact CD2-CD1 4.24Å; Y70-L134 HydrophobicContact CE2-CD1 3.96Å; Y70-L134 HydrophobicContact CE2-CD2 4.44Å; Y70-M138 HydrophobicContact CD1-CE 3.64Å; Y70-M138 HydrophobicContact CD2-CE 3.66Å; Y70-M138 HydrophobicContact CE1-CE 4.1Å; Y70-M138 HydrophobicContact CE2-CE 4.13Å; Y70-M138 HydrophobicContact CG-CE 3.4Å; Y70-M138 VanDerWaalsContact CG-CE 3.4Å; Y70-D168 PolarHBondContact OH-OD1 2.81Å
71	S	89.3	Confident	82.3	Confident	27 Å²	27	59.6 Å²	59.6	19%	0.189	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.1	169	63.2	0	0	0	0	111.1	Q46 H79	Q46-S71 PolarHBondContact N-O 2.8Å; Q46-S71 PolarHBondContact O-N 2.89Å; Q46-S71 PolarHBondContact O-OG 2.8Å; S71-H79 WeakPolarHBondContact CA-O 3.46Å
72	F	84.1	Confident	84.2	Confident	7 Å²	7	52.5 Å²	52.5	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	164.6	178.3	63.7	-67.7	0	0	0	111.1	I74 N78 H79 L81 I142	F72-I74 HydrophobicContact CD2-CD1 4.33Å; F72-I74 HydrophobicContact CD2-CG1 3.76Å; F72-I74 HydrophobicContact CE2-CD1 3.34Å; F72-I74 HydrophobicContact CE2-CG1 3.25Å; F72-I74 HydrophobicContact CZ-CD1 3.75Å; F72-I74 HydrophobicContact CZ-CG1 4.02Å; F72-N78 WeakPolarHBondContact O-CA 2.96Å; F72-H79 PolarHBondContact N-O 3.1Å; F72-H79 PolarHBondContact O-N 2.99Å; F72-L81 HydrophobicContact CD1-CB 4.48Å; F72-L81 HydrophobicContact CE1-CB 3.58Å; F72-L81 HydrophobicContact CE1-CD2 4.25Å; F72-L81 HydrophobicContact CZ-CB 4.33Å; F72-I142 HydrophobicContact CE1-CD1 4.24Å; F72-I142 HydrophobicContact CE2-CD1 3.6Å; F72-I142 HydrophobicContact CZ-CD1 3.25Å
73	S	84	Confident	85.4	Confident	30 Å²	30	47.4 Å²	47.4	21%	0.21	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.4	-179.1	-166.7	0	0	0	0	111.4	K77	S73-K77 CarbonylContact C-O 3.56Å; S73-K77 VanDerWaalsContact CA-O 3.28Å; S73-K77 WeakPolarHBondContact CA-O 3.46Å; S73-K77 PolarHBondContact OG-O 2.82Å
74	I	84.3	Confident	86	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.7	167	-52	-174.2	0	0	0	108.1	F72 G76 K77 I142 L144 Y149 V174	F72-I74 HydrophobicContact CD2-CD1 4.33Å; F72-I74 HydrophobicContact CD2-CG1 3.76Å; F72-I74 HydrophobicContact CE2-CD1 3.34Å; F72-I74 HydrophobicContact CE2-CG1 3.25Å; F72-I74 HydrophobicContact CZ-CD1 3.75Å; F72-I74 HydrophobicContact CZ-CG1 4.02Å; I74-G76 PolarHBondContact O-N 3.06Å; I74-G76 VanDerWaalsContact O-N 3.11Å; I74-K77 PolarHBondContact N-O 3.26Å; I74-K77 PolarHBondContact O-N 2.98Å; I74-I142 HydrophobicContact CD1-CD1 4.49Å; I74-I142 HydrophobicContact CD1-CG2 4.45Å; I74-L144 HydrophobicContact CD1-CD1 3.9Å; I74-Y149 HydrophobicContact CD1-CD2 4.46Å; I74-Y149 HydrophobicContact CD1-CG 4.39Å; I74-Y149 HydrophobicContact CG2-CD1 3.5Å; I74-Y149 HydrophobicContact CG2-CD2 3.94Å; I74-Y149 HydrophobicContact CG2-CE1 3.49Å; I74-Y149 VanDerWaalsContact CG2-CE1 3.49Å; I74-Y149 HydrophobicContact CG2-CE2 3.94Å; I74-Y149 HydrophobicContact CG2-CG 3.72Å; I74-V174 HydrophobicContact CG1-CG1 4.27Å; I74-V174 HydrophobicContact CG2-CG1 4.3Å
75	A	77.8	Confident	86.1	Confident	68 Å²	68	42.3 Å²	42.3	56%	0.562	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.6	175.9	0	0	0	0	0	113.5	K77	A75-K77 VanDerWaalsContact C-N 3.32Å; A75-K77 PolarHBondContact O-N 2.77Å
76	G	77.6	Confident	86.3	Confident	62 Å²	62	41.3 Å²	41.3	64%	0.639	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	5.7	179.2	0	0	0	0	0	115.3	I74	I74-G76 PolarHBondContact O-N 3.06Å; I74-G76 VanDerWaalsContact O-N 3.11Å
77	K	84.7	Confident	86.2	Confident	147 Å²	147	40.6 Å²	40.6	64%	0.639	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.8	173.9	-68.4	-175.3	179.6	-177.7	0	110.7	S73 I74 A75 H79	S73-K77 CarbonylContact C-O 3.56Å; S73-K77 VanDerWaalsContact CA-O 3.28Å; S73-K77 WeakPolarHBondContact CA-O 3.46Å; S73-K77 PolarHBondContact OG-O 2.82Å; I74-K77 PolarHBondContact N-O 3.26Å; I74-K77 PolarHBondContact O-N 2.98Å; A75-K77 VanDerWaalsContact C-N 3.32Å; A75-K77 PolarHBondContact O-N 2.77Å; K77-H79 PolarHBondContact O-CD2 3.13Å
78	N	88.4	Confident	85.8	Confident	137 Å²	137	37.8 Å²	37.8	73%	0.733	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.1	174.2	-71.6	-11.6	0	0	0	109.8	F72	F72-N78 WeakPolarHBondContact O-CA 2.96Å
79	H	89.8	Confident	85.7	Confident	36 Å²	36	37.4 Å²	37.4	17%	0.167	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.4	178.1	-68.6	-72	0	0	0	109.3	S71 F72 K77 V122	S71-H79 WeakPolarHBondContact CA-O 3.46Å; F72-H79 PolarHBondContact N-O 3.1Å; F72-H79 PolarHBondContact O-N 2.99Å; K77-H79 PolarHBondContact O-CD2 3.13Å; H79-V122 HydrophobicContact CB-CG1 3.89Å
80	T	90.8	Very high	85.5	Confident	45 Å²	45	34.3 Å²	34.3	28%	0.276	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.9	169.7	-58	0	0	0	0	108.1	L48 Y70 V122 V123	L48-T80 HydrophobicContact CD1-CG2 3.69Å; Y70-T80 CarbonylContact O-C 3.53Å; Y70-T80 WeakPolarHBondContact O-CA 3.19Å; T80-V122 WeakPolarHBondContact O-CA 3.34Å; T80-V123 HydrophobicContact CG2-CB 4.43Å; T80-V123 HydrophobicContact CG2-CG2 3.95Å; T80-V123 PolarHBondContact O-N 3.22Å
81	L	90.6	Very high	84.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.6	176.5	175.4	75.6	0	0	0	108.8	Q69 Y70 F72 L83 V122 A130 I132 M138 I142	Q69-L81 WeakPolarHBondContact CA-O 2.99Å; Y70-L81 PolarHBondContact N-O 2.89Å; Y70-L81 PolarHBondContact O-N 3.15Å; F72-L81 HydrophobicContact CD1-CB 4.48Å; F72-L81 HydrophobicContact CE1-CB 3.58Å; F72-L81 HydrophobicContact CE1-CD2 4.25Å; F72-L81 HydrophobicContact CZ-CB 4.33Å; L81-L83 HydrophobicContact CD1-CD2 4.1Å; L81-L83 HydrophobicContact CD2-CD1 3.97Å; L81-L83 HydrophobicContact CD2-CD2 3.83Å; L81-L83 HydrophobicContact CD2-CG 3.95Å; L81-L83 HydrophobicContact CG-CD1 4.43Å; L81-L83 HydrophobicContact CG-CD2 3.78Å; L81-L83 HydrophobicContact CG-CG 3.88Å; L81-V122 HydrophobicContact CD1-CG2 4.14Å; L81-A130 HydrophobicContact CD1-CB 3.6Å; L81-I132 HydrophobicContact CD2-CG1 4.26Å; L81-M138 HydrophobicContact CD2-CE 4.38Å; L81-M138 HydrophobicContact CD2-SD 4.19Å; L81-I142 HydrophobicContact CD1-CD1 4.47Å; L81-I142 HydrophobicContact CD1-CG2 4.49Å; L81-I142 HydrophobicContact CD2-CD1 3.96Å
82	H	89.3	Confident	83.8	Confident	20 Å²	20	37.6 Å²	37.6	9%	0.093	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.6	171.8	-173.6	102.7	0	0	0	108.5	V67 Q69 E84 G120 H121 V123	V67-H82 WeakPolarHBondContact CG1-NE2 3.43Å; Q69-H82 PolarHBondContact NE2-ND1 3.04Å; H82-E84 IonicContact NE2-OE1 3.77Å; H82-G120 CarbonylContact O-C 3.58Å; H82-G120 WeakPolarHBondContact O-CA 3.35Å; H82-H121 AromaticContact CD2-CE1 3.83Å; H82-H121 AromaticContact CG-CE1 3.8Å; H82-H121 PolarHBondContact N-O 3.24Å; H82-H121 PolarHBondContact O-N 2.94Å; H82-H121 VanDerWaalsContact O-N 3.08Å; H82-V123 HydrophobicContact CB-CG2 4.01Å
83	L	89.2	Confident	83	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134	-177.8	-65.8	178.4	0	0	0	110.6	V67 V68 Y70 L81 Y118 H119 A130 I132 L134	V67-L83 WeakPolarHBondContact CA-O 3.49Å; V68-L83 HydrophobicContact CG2-CB 3.74Å; V68-L83 HydrophobicContact CG2-CD1 4.2Å; V68-L83 PolarHBondContact N-O 2.54Å; V68-L83 PolarHBondContact O-N 3.2Å; Y70-L83 HydrophobicContact CD2-CD1 4.24Å; L81-L83 HydrophobicContact CD1-CD2 4.1Å; L81-L83 HydrophobicContact CD2-CD1 3.97Å; L81-L83 HydrophobicContact CD2-CD2 3.83Å; L81-L83 HydrophobicContact CD2-CG 3.95Å; L81-L83 HydrophobicContact CG-CD1 4.43Å; L81-L83 HydrophobicContact CG-CD2 3.78Å; L81-L83 HydrophobicContact CG-CG 3.88Å; L83-Y118 HydrophobicContact CB-CD1 4.03Å; L83-Y118 HydrophobicContact CB-CG 4.22Å; L83-H119 CarbonylContact C-O 3.6Å; L83-H119 WeakPolarHBondContact CA-O 3.3Å; L83-A130 HydrophobicContact CD2-CB 4.46Å; L83-I132 HydrophobicContact CD1-CB 4.17Å; L83-I132 HydrophobicContact CD1-CG1 4.43Å; L83-I132 HydrophobicContact CD1-CG2 3.99Å; L83-I132 HydrophobicContact CD2-CB 4.1Å; L83-I132 HydrophobicContact CD2-CG1 3.89Å; L83-L134 HydrophobicContact CD1-CD1 4.29Å; L83-L134 HydrophobicContact CD1-CD2 4.44Å
84	E	87.2	Confident	83.1	Confident	43 Å²	43	40.1 Å²	40.1	20%	0.201	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.4	174.7	-60.6	-173	176.3	0	0	110.4	D66 V67 H82 N86 Y118 H119 T449	D66-E84 WeakPolarHBondContact O-CA 3.33Å; V67-E84 HydrophobicContact CG2-CG 4.29Å; H82-E84 IonicContact NE2-OE1 3.77Å; E84-N86 PolarHBondContact O-N 2.8Å; E84-Y118 CarbonylContact O-C 3.55Å; E84-Y118 WeakPolarHBondContact O-CA 3.26Å; E84-Y118 WeakPolarHBondContact O-CB 3.45Å; E84-H119 PolarHBondContact N-O 2.75Å; E84-H119 PolarHBondContact O-N 3.1Å; E84-T449 VanDerWaalsContact CD-CG2 3.47Å; E84-T449 VanDerWaalsContact OE1-CB 3.3Å; E84-T449 WeakPolarHBondContact OE1-CB 3.31Å; E84-T449 WeakPolarHBondContact OE2-CG2 2.92Å
85	K	85.7	Confident	83.2	Confident	18 Å²	18	41.2 Å²	41.2	8%	0.078	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	129.3	-176.2	-174.9	-175.7	-76	176.7	0	109.7	Y64 D66 K87 E113 H115 Y118	Y64-K85 WeakPolarHBondContact O-CE 3.41Å; Y64-K85 PolarHBondContact O-NZ 3.01Å; D66-K85 PolarHBondContact O-N 2.78Å; D66-K85 IonicContact OD1-NZ 3.53Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 HydrophobicContact CB-CG 4.4Å; K85-K87 HydrophobicContact CD-CG 4.21Å; K85-K87 HydrophobicContact CG-CG 4.22Å; K85-K87 PolarHBondContact O-N 2.74Å; K85-E113 PolarHBondContact NZ-O 3.03Å; K85-H115 VanDerWaalsContact CE-O 3.3Å; K85-H115 WeakPolarHBondContact CE-O 3.34Å; K85-H115 VanDerWaalsContact CG-CE1 3.41Å; K85-H115 WeakPolarHBondContact CG-CE1 3.3Å; K85-Y118 VanDerWaalsContact CA-CD1 3.44Å; K85-Y118 HydrophobicContact CB-CD1 3.98Å; K85-Y118 HydrophobicContact CB-CE1 3.7Å; K85-Y118 HydrophobicContact CG-CE1 4.41Å
86	N	87	Confident	83.9	Confident	7 Å²	7	38.1 Å²	38.1	4%	0.037	22%	0.217	C	C	.	.			trans	-78.9	77.2	176.7	-173.5	6.2	0	0	0	111	E84 G88 L89 H115 Y117 H119 N256 D259 R268	E84-N86 PolarHBondContact O-N 2.8Å; N86-G88 PolarHBondContact O-N 3.47Å; N86-L89 HydrophobicContact CB-CB 4.23Å; N86-L89 WeakPolarHBondContact O-CB 3.32Å; N86-L89 PolarHBondContact O-N 3.33Å; N86-L89 VanDerWaalsContact O-N 3.08Å; N86-H115 PolarHBondContact O-CE1 2.72Å; N86-H115 PolarHBondContact O-NE2 3.2Å; N86-H115 VanDerWaalsContact O-NE2 3.16Å; N86-Y117 PolarHBondContact N-O 3.18Å; N86-H119 PolarHBondContact ND2-CE1 2.81Å; N86-H119 PolarHBondContact ND2-NE2 3.01Å; N86-N256 PolarHBondContact ND2-OD1 3.4Å; N86-N256 VanDerWaalsContact ND2-OD1 3.16Å; N86-D259 PolarHBondContact ND2-OD2 3.23Å; N86-R268 PolarHBondContact OD1-NH2 3.44Å
87	K	77.6	Confident	84.6	Confident	33 Å²	33	35.6 Å²	35.6	14%	0.143	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-65.4	-22.4	-175.7	-62.1	-177	-176.4	-177.7	0	114	D66 K85 L89 V433	D66-K87 WeakPolarHBondContact OD1-CE 3.39Å; D66-K87 IonicContact OD1-NZ 3.05Å; D66-K87 PolarHBondContact OD1-NZ 2.97Å; D66-K87 WeakPolarHBondContact OD2-CE 3.3Å; D66-K87 IonicContact OD2-NZ 3.38Å; D66-K87 PolarHBondContact OD2-NZ 2.91Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 HydrophobicContact CB-CG 4.4Å; K85-K87 HydrophobicContact CD-CG 4.21Å; K85-K87 HydrophobicContact CG-CG 4.22Å; K85-K87 PolarHBondContact O-N 2.74Å; K87-L89 VanDerWaalsContact C-N 3.27Å; K87-L89 PolarHBondContact O-N 2.85Å; K87-V433 HydrophobicContact CD-CB 4.08Å; K87-V433 HydrophobicContact CD-CG1 3.84Å; K87-V433 HydrophobicContact CD-CG2 3.51Å
88	G	76.4	Confident	84.9	Confident	18 Å²	18	31.4 Å²	31.4	19%	0.186	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-84.1	4.9	175.1	0	0	0	0	0	114.3	N86	N86-G88 PolarHBondContact O-N 3.47Å
89	L	86	Confident	84.9	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-67.6	-36.1	-177.5	179.9	58.8	0	0	0	112.8	N86 K87 Y117 A255 N256 L271	N86-L89 HydrophobicContact CB-CB 4.23Å; N86-L89 WeakPolarHBondContact O-CB 3.32Å; N86-L89 PolarHBondContact O-N 3.33Å; N86-L89 VanDerWaalsContact O-N 3.08Å; K87-L89 VanDerWaalsContact C-N 3.27Å; K87-L89 PolarHBondContact O-N 2.85Å; L89-Y117 HydrophobicContact CD2-CD2 3.91Å; L89-Y117 HydrophobicContact CD2-CG 3.86Å; L89-A255 HydrophobicContact CD1-CB 3.83Å; L89-N256 HydrophobicContact CD1-CB 4.1Å; L89-N256 HydrophobicContact CD2-CB 3.88Å; L89-L271 WeakPolarHBondContact O-CB 3.46Å; L89-L271 PolarHBondContact O-N 2.93Å
90	V	85	Confident	84.4	Confident	10 Å²	10	25.8 Å²	25.8	6%	0.061	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129	-171.1	-173.1	0	0	0	0	109.6	F94 L252 L271	V90-F94 HydrophobicContact CG1-CB 3.25Å; V90-F94 HydrophobicContact CG1-CD1 3.66Å; V90-F94 HydrophobicContact CG1-CD2 4.09Å; V90-F94 HydrophobicContact CG1-CE1 4.49Å; V90-F94 HydrophobicContact CG1-CG 3.39Å; V90-L252 HydrophobicContact CG2-CD2 3.57Å; V90-L271 WeakPolarHBondContact CA-O 3.48Å
91	G	76.1	Confident	83.5	Confident	7 Å²	7	31 Å²	31	7%	0.072	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	153.8	177.3	0	0	0	0	0	112.9	S93 F94 L271	G91-S93 PolarHBondContact O-N 2.95Å; G91-S93 VanDerWaalsContact O-N 3.11Å; G91-F94 VanDerWaalsContact O-CB 3.24Å; G91-F94 WeakPolarHBondContact O-CB 3.33Å; G91-F94 PolarHBondContact O-N 2.8Å; G91-L271 PolarHBondContact N-O 2.83Å
92	K	67.3	Low	82.6	Confident	98 Å²	98	39.4 Å²	39.4	43%	0.426	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	-34	178.8	-87.9	-172.1	178.1	151.2	0	114.9	D426 R427 I428 Y429	K92-D426 WeakPolarHBondContact CD-O 2.9Å; K92-D426 WeakPolarHBondContact CE-O 3.19Å; K92-D426 PolarHBondContact NZ-O 3.37Å; K92-R427 WeakPolarHBondContact CB-O 3.44Å; K92-R427 VanDerWaalsContact CG-O 3.28Å; K92-R427 WeakPolarHBondContact CG-O 3.31Å; K92-I428 WeakPolarHBondContact CE-O 3.41Å; K92-I428 PolarHBondContact NZ-O 2.89Å; K92-Y429 HydrophobicContact CD-CD2 4.42Å; K92-Y429 HydrophobicContact CG-CD2 3.79Å; K92-Y429 HydrophobicContact CG-CG 4.05Å
93	S	69	Low	81.8	Confident	87 Å²	87	39.8 Å²	39.8	61%	0.608	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	23.8	-179.9	61.1	0	0	0	0	112.6	G91 T95	G91-S93 PolarHBondContact O-N 2.95Å; G91-S93 VanDerWaalsContact O-N 3.11Å; S93-T95 PolarHBondContact O-N 2.81Å
94	F	84.6	Confident	81.4	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	122.9	177.6	173.7	-106.2	0	0	0	110.8	V90 G91 V96 H112 L271 V272 L274	V90-F94 HydrophobicContact CG1-CB 3.25Å; V90-F94 HydrophobicContact CG1-CD1 3.66Å; V90-F94 HydrophobicContact CG1-CD2 4.09Å; V90-F94 HydrophobicContact CG1-CE1 4.49Å; V90-F94 HydrophobicContact CG1-CG 3.39Å; G91-F94 VanDerWaalsContact O-CB 3.24Å; G91-F94 WeakPolarHBondContact O-CB 3.33Å; G91-F94 PolarHBondContact O-N 2.8Å; F94-V96 HydrophobicContact CD1-CG2 4.38Å; F94-V96 HydrophobicContact CE1-CG2 3.43Å; F94-V96 VanDerWaalsContact CE1-CG2 3.43Å; F94-V96 HydrophobicContact CZ-CG2 3.6Å; F94-H112 AromaticContact CD1-CD2 3.59Å; F94-H112 AromaticContact CD1-NE2 3.29Å; F94-H112 VanDerWaalsContact CD1-NE2 3.29Å; F94-H112 WeakPolarHBondContact CD1-NE2 3.05Å; F94-H112 AromaticContact CE1-NE2 3.44Å; F94-H112 WeakPolarHBondContact CE1-NE2 3.25Å; F94-L271 HydrophobicContact CD2-CD2 4.15Å; F94-L271 HydrophobicContact CD2-CG 3.93Å; F94-L271 HydrophobicContact CE2-CD1 4.48Å; F94-L271 HydrophobicContact CE2-CD2 3.42Å; F94-L271 VanDerWaalsContact CE2-CD2 3.42Å; F94-L271 HydrophobicContact CE2-CG 3.56Å; F94-L271 HydrophobicContact CZ-CD2 3.85Å; F94-L271 HydrophobicContact CZ-CG 4.47Å; F94-V272 WeakPolarHBondContact CA-O 3.3Å; F94-L274 HydrophobicContact CE2-CB 3.84Å; F94-L274 HydrophobicContact CZ-CB 3.82Å
95	T	88.2	Confident	81.2	Confident	26 Å²	26	45.2 Å²	45.2	16%	0.16	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.7	178.1	56.7	0	0	0	0	110.2	S93 T109 G273 L274	S93-T95 PolarHBondContact O-N 2.81Å; T95-T109 HydrophobicContact CG2-CG2 3.86Å; T95-G273 WeakPolarHBondContact O-CA 3.3Å; T95-L274 PolarHBondContact O-N 3.19Å
96	V	91.4	Very high	81.3	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117	163.8	-174.7	0	0	0	0	107.8	F94 Y98 S107 T108 E248 L274	F94-V96 HydrophobicContact CD1-CG2 4.38Å; F94-V96 HydrophobicContact CE1-CG2 3.43Å; F94-V96 VanDerWaalsContact CE1-CG2 3.43Å; F94-V96 HydrophobicContact CZ-CG2 3.6Å; V96-Y98 HydrophobicContact CG1-CD1 4.36Å; V96-S107 WeakPolarHBondContact O-CA 3.49Å; V96-T108 PolarHBondContact N-O 3.33Å; V96-T108 PolarHBondContact O-N 2.84Å; V96-T108 PolarHBondContact O-OG1 3.14Å; V96-E248 HydrophobicContact CG2-CG 4.16Å; V96-L274 CarbonylContact C-O 3.04Å; V96-L274 WeakPolarHBondContact CA-O 3.24Å; V96-L274 HydrophobicContact CG1-CD2 4.17Å; V96-L274 HydrophobicContact CG1-CG 4.32Å; V96-L274 HydrophobicContact CG2-CB 4.42Å; V96-L274 HydrophobicContact CG2-CD2 4.43Å
97	T	92.1	Very high	81.2	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.4	-179.2	-58.7	0	0	0	0	109.7	Q105 V106 S107 L274 H275 V276	T97-Q105 HydrophobicContact CG2-CG 3.42Å; T97-Q105 VanDerWaalsContact CG2-CG 3.42Å; T97-Q105 VanDerWaalsContact CG2-NE2 3.32Å; T97-V106 CarbonylContact C-O 3.34Å; T97-V106 WeakPolarHBondContact CA-O 3.42Å; T97-S107 PolarHBondContact OG1-OG 3.27Å; T97-S107 VanDerWaalsContact OG1-OG 3.07Å; T97-L274 PolarHBondContact N-O 3.02Å; T97-H275 CarbonylContact O-C 3.54Å; T97-H275 WeakPolarHBondContact O-CA 3.32Å; T97-V276 PolarHBondContact O-N 2.86Å
98	Y	91.3	Very high	81.6	Confident	60 Å²	60	50.6 Å²	50.6	24%	0.235	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	166.5	178.9	61.5	-87.1	0	0	0	110.9	V96 V106 T108 T244 V276	V96-Y98 HydrophobicContact CG1-CD1 4.36Å; Y98-V106 HydrophobicContact CE1-CB 4.48Å; Y98-V106 HydrophobicContact CE1-CG1 4.33Å; Y98-V106 HydrophobicContact CE2-CB 4.16Å; Y98-V106 HydrophobicContact CE2-CG1 4.46Å; Y98-V106 PolarHBondContact N-O 2.03Å; Y98-V106 PolarHBondContact O-N 2.87Å; Y98-V106 VanDerWaalsContact O-O 3.08Å; Y98-T108 HydrophobicContact CE1-CG2 4.08Å; Y98-T244 HydrophobicContact CD1-CG2 4.34Å; Y98-T244 HydrophobicContact CD2-CG2 4.03Å; Y98-T244 HydrophobicContact CG-CG2 3.84Å; Y98-V276 WeakPolarHBondContact CA-O 3.37Å
99	N	87.8	Confident	81.4	Confident	24 Å²	24	54.8 Å²	54.8	13%	0.128	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.9	175.3	-63.5	71.5	0	0	0	109.8	G103 T104 S278	N99-G103 PolarHBondContact ND2-O 2.73Å; N99-T104 CarbonylContact C-O 3.17Å; N99-T104 WeakPolarHBondContact CA-O 3.06Å; N99-S278 WeakPolarHBondContact CA-OG 2.98Å; N99-S278 PolarHBondContact N-OG 3.13Å; N99-S278 PolarHBondContact O-OG 2.91Å
100	S	79	Confident	80.2	Confident	30 Å²	30	57.9 Å²	57.9	21%	0.21	33%	0.333	C	S	.	.			trans	-66.4	167.8	168.8	73.6	0	0	0	0	111	Q102 G103 T104	S100-Q102 PolarHBondContact O-N 3.17Å; S100-Q102 PolarHBondContact OG-N 3.13Å; S100-G103 WeakPolarHBondContact O-CA 3.49Å; S100-G103 PolarHBondContact O-N 2.82Å; S100-T104 PolarHBondContact N-O 2.84Å; S100-T104 PolarHBondContact OG-N 3.31Å; S100-T104 PolarHBondContact OG-O 3.35Å
101	D	73.5	Confident	78.9	Confident	155 Å²	155	63.8 Å²	63.8	83%	0.829	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.2	176.3	-54.3	-31.1	0	0	0	112.9
102	Q	72.1	Confident	78.2	Confident	176 Å²	176	64.5 Å²	64.5	82%	0.822	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	7.1	174.4	-59.2	-166.8	-8.7	0	0	113.1	S100 T104	S100-Q102 PolarHBondContact O-N 3.17Å; S100-Q102 PolarHBondContact OG-N 3.13Å; Q102-T104 VanDerWaalsContact C-N 3.25Å; Q102-T104 PolarHBondContact O-N 2.93Å
103	G	71.7	Confident	77.5	Confident	28 Å²	28	65 Å²	65	29%	0.289	37%	0.37	S	S	.	.	S	Bend	trans	78	1	179.9	0	0	0	0	0	114.8	N99 S100	N99-G103 PolarHBondContact ND2-O 2.73Å; S100-G103 WeakPolarHBondContact O-CA 3.49Å; S100-G103 PolarHBondContact O-N 2.82Å
104	T	80.4	Confident	77.4	Confident	85 Å²	85	64 Å²	64	52%	0.521	36%	0.358	S	S	.	.			trans	-75.7	133.1	177.9	-45.5	0	0	0	0	110.3	N99 S100 Q102 V106	N99-T104 CarbonylContact C-O 3.17Å; N99-T104 WeakPolarHBondContact CA-O 3.06Å; S100-T104 PolarHBondContact N-O 2.84Å; S100-T104 PolarHBondContact OG-N 3.31Å; S100-T104 PolarHBondContact OG-O 3.35Å; Q102-T104 VanDerWaalsContact C-N 3.25Å; Q102-T104 PolarHBondContact O-N 2.93Å; T104-V106 PolarHBondContact O-N 3.14Å
105	Q	83.7	Confident	77.4	Confident	73 Å²	73	64.7 Å²	64.7	34%	0.341	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	125.4	176.4	-170.3	163.6	51.1	0	0	110.2	T97 R307	T97-Q105 HydrophobicContact CG2-CG 3.42Å; T97-Q105 VanDerWaalsContact CG2-CG 3.42Å; T97-Q105 VanDerWaalsContact CG2-NE2 3.32Å; Q105-R307 VanDerWaalsContact OE1-NH1 3.14Å
106	V	86.7	Confident	77.5	Confident	48 Å²	48	63.4 Å²	63.4	29%	0.291	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.7	176.2	-178	0	0	0	0	107.1	T97 Y98 T104 T108	T97-V106 CarbonylContact C-O 3.34Å; T97-V106 WeakPolarHBondContact CA-O 3.42Å; Y98-V106 HydrophobicContact CE1-CB 4.48Å; Y98-V106 HydrophobicContact CE1-CG1 4.33Å; Y98-V106 HydrophobicContact CE2-CB 4.16Å; Y98-V106 HydrophobicContact CE2-CG1 4.46Å; Y98-V106 PolarHBondContact N-O 2.03Å; Y98-V106 PolarHBondContact O-N 2.87Å; Y98-V106 VanDerWaalsContact O-O 3.08Å; T104-V106 PolarHBondContact O-N 3.14Å; V106-T108 HydrophobicContact CG1-CG2 4.16Å
107	S	86.2	Confident	77.5	Confident	70 Å²	70	63.7 Å²	63.7	49%	0.49	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.3	172.8	-165	0	0	0	0	108.3	V96 T97	V96-S107 WeakPolarHBondContact O-CA 3.49Å; T97-S107 PolarHBondContact OG1-OG 3.27Å; T97-S107 VanDerWaalsContact OG1-OG 3.07Å
108	T	84.7	Confident	77.5	Confident	53 Å²	53	63.4 Å²	63.4	33%	0.325	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.1	178	52	0	0	0	0	109.3	V96 Y98 V106	V96-T108 PolarHBondContact N-O 3.33Å; V96-T108 PolarHBondContact O-N 2.84Å; V96-T108 PolarHBondContact O-OG1 3.14Å; Y98-T108 HydrophobicContact CE1-CG2 4.08Å; V106-T108 HydrophobicContact CG1-CG2 4.16Å
109	T	73.3	Confident	77.5	Confident	106 Å²	106	60.9 Å²	60.9	65%	0.65	34%	0.342	S	S	*	.			trans	-95	122.2	163	48.5	0	0	0	0	107.5	T95	T95-T109 HydrophobicContact CG2-CG2 3.86Å
110	S	60.1	Low	77.5	Confident	65 Å²	65	60.1 Å²	60.1	46%	0.455	34%	0.34	S	S	.	.			trans	-103.2	145.3	174	163.6	0	0	0	0	110	H112	S110-H112 VanDerWaalsContact CB-CE1 3.43Å; S110-H112 WeakPolarHBondContact CB-CE1 3.38Å; S110-H112 VanDerWaalsContact CB-NE2 3.3Å; S110-H112 WeakPolarHBondContact CB-NE2 3.01Å; S110-H112 PolarHBondContact O-CD2 2.98Å; S110-H112 PolarHBondContact O-N 3.49Å; S110-H112 VanDerWaalsContact O-N 3.11Å; S110-H112 PolarHBondContact OG-CE1 3.04Å; S110-H112 VanDerWaalsContact OG-CE1 3.27Å
111	D	58	Low	77.9	Confident	134 Å²	134	60.1 Å²	60.1	72%	0.717	34%	0.337	S	S	*	.			trans	-78.1	90.5	178.4	-155	31.2	0	0	0	107.5	E113 Y429	D111-E113 VanDerWaalsContact C-N 3.33Å; D111-E113 PolarHBondContact O-N 3.16Å; D111-Y429 WeakPolarHBondContact CA-OH 3.49Å; D111-Y429 VanDerWaalsContact CG-OH 3.29Å; D111-Y429 PolarHBondContact OD1-OH 2.51Å
112	H	61.8	Low	78.6	Confident	21 Å²	21	52.8 Å²	52.8	10%	0.097	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-89	23.7	-169.1	-66.9	-70.4	0	0	0	114.1	F94 S110 D114 H115 E248 Y429	F94-H112 AromaticContact CD1-CD2 3.59Å; F94-H112 AromaticContact CD1-NE2 3.29Å; F94-H112 VanDerWaalsContact CD1-NE2 3.29Å; F94-H112 WeakPolarHBondContact CD1-NE2 3.05Å; F94-H112 AromaticContact CE1-NE2 3.44Å; F94-H112 WeakPolarHBondContact CE1-NE2 3.25Å; S110-H112 VanDerWaalsContact CB-CE1 3.43Å; S110-H112 WeakPolarHBondContact CB-CE1 3.38Å; S110-H112 VanDerWaalsContact CB-NE2 3.3Å; S110-H112 WeakPolarHBondContact CB-NE2 3.01Å; S110-H112 PolarHBondContact O-CD2 2.98Å; S110-H112 PolarHBondContact O-N 3.49Å; S110-H112 VanDerWaalsContact O-N 3.11Å; S110-H112 PolarHBondContact OG-CE1 3.04Å; S110-H112 VanDerWaalsContact OG-CE1 3.27Å; H112-D114 PolarHBondContact O-N 3.44Å; H112-H115 PolarHBondContact O-CD2 2.98Å; H112-H115 PolarHBondContact O-N 2.98Å; H112-E248 IonicContact CE1-OE1 3.25Å; H112-E248 PolarHBondContact CE1-OE1 2.88Å; H112-E248 VanDerWaalsContact CE1-OE1 3.31Å; H112-E248 IonicContact NE2-OE1 3.77Å; H112-Y429 PolarHBondContact N-OH 3.2Å
113	E	53	Low	79.3	Confident	109 Å²	109	47.9 Å²	47.9	51%	0.509	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-62.3	-22.6	179.9	-72	-158.7	153	0	0	109.8	K85 D111 Y429	K85-E113 PolarHBondContact NZ-O 3.03Å; D111-E113 VanDerWaalsContact C-N 3.33Å; D111-E113 PolarHBondContact O-N 3.16Å; E113-Y429 HydrophobicContact CB-CE1 3.92Å; E113-Y429 HydrophobicContact CG-CD1 4.05Å; E113-Y429 HydrophobicContact CG-CE1 3.24Å; E113-Y429 HydrophobicContact CG-CE2 4.04Å; E113-Y429 WeakPolarHBondContact CG-OH 3.44Å; E113-Y429 PolarHBondContact N-OH 3.32Å
114	D	66.9	Low	79.7	Confident	67 Å²	67	50.5 Å²	50.5	36%	0.358	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-113.3	42.8	-173.2	-149.7	28.3	0	0	0	110.9	K63 Y64 H112	K63-D114 WeakPolarHBondContact CB-OD2 3.38Å; Y64-D114 HydrophobicContact CD2-CB 4.34Å; Y64-D114 WeakPolarHBondContact CD2-O 3.35Å; Y64-D114 VanDerWaalsContact CD2-OD1 3.3Å; Y64-D114 WeakPolarHBondContact CD2-OD1 3.46Å; Y64-D114 VanDerWaalsContact CE2-O 3.24Å; Y64-D114 WeakPolarHBondContact CE2-O 3.47Å; Y64-D114 PolarHBondContact N-OD1 3.22Å; H112-D114 PolarHBondContact O-N 3.44Å
115	H	83.9	Confident	79.7	Confident	17 Å²	17	48.2 Å²	48.2	8%	0.079	29%	0.292	C	S	.	.			trans	-77.6	160.8	164.3	74.7	67.7	0	0	0	111.5	K85 N86 H112 Y117	K85-H115 VanDerWaalsContact CE-O 3.3Å; K85-H115 WeakPolarHBondContact CE-O 3.34Å; K85-H115 VanDerWaalsContact CG-CE1 3.41Å; K85-H115 WeakPolarHBondContact CG-CE1 3.3Å; N86-H115 PolarHBondContact O-CE1 2.72Å; N86-H115 PolarHBondContact O-NE2 3.2Å; N86-H115 VanDerWaalsContact O-NE2 3.16Å; H112-H115 PolarHBondContact O-CD2 2.98Å; H112-H115 PolarHBondContact O-N 2.98Å; H115-Y117 HydrophobicContact CB-CD2 4.27Å; H115-Y117 PolarHBondContact CE1-O 2.95Å; H115-Y117 PolarHBondContact ND1-N 3.12Å
116	C	89.9	Confident	79.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.314	C	S	.	.			trans	-111.7	13.9	-169.5	72.6	0	0	0	0	114.1	Y64 Y118 G133 L134 C135	Y64-C116 HydrophobicContact CD1-CB 3.9Å; Y64-C116 HydrophobicContact CD2-CB 4.35Å; Y64-C116 HydrophobicContact CE1-CB 3.65Å; Y64-C116 HydrophobicContact CE2-CB 4.11Å; Y64-C116 HydrophobicContact CG-CB 4.25Å; C116-Y118 VanDerWaalsContact C-CD2 3.48Å; C116-Y118 WeakPolarHBondContact O-CD2 3.33Å; C116-Y118 WeakPolarHBondContact O-CE2 3.5Å; C116-G133 WeakPolarHBondContact O-CA 3.49Å; C116-L134 HydrophobicContact CB-CB 4.43Å; C116-L134 PolarHBondContact O-N 3.15Å; C116-C135 HydrophobicContact CB-CB 3.84Å; C116-C135 VanDerWaalsContact CB-N 3.35Å; C116-C135 WeakPolarHBondContact CB-SG 3.42Å; C116-C135 WeakPolarHBondContact SG-CA 3.5Å; C116-C135 WeakPolarHBondContact SG-CB 3.09Å; C116-C135 PolarHBondContact SG-N 3.05Å; C116-C135 CovalentContact SG-SG 1.99Å; C116-C135 PolarHBondContact SG-SG 3.28Å
117	Y	91.6	Very high	78.6	Confident	9 Å²	9	57.8 Å²	57.8	4%	0.035	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.3	-175.8	-58.9	-77.4	0	0	0	112.2	N86 L89 H115 A249 L252 E253 N256	N86-Y117 PolarHBondContact N-O 3.18Å; L89-Y117 HydrophobicContact CD2-CD2 3.91Å; L89-Y117 HydrophobicContact CD2-CG 3.86Å; H115-Y117 HydrophobicContact CB-CD2 4.27Å; H115-Y117 PolarHBondContact CE1-O 2.95Å; H115-Y117 PolarHBondContact ND1-N 3.12Å; Y117-A249 PolarHBondContact OH-O 3.42Å; Y117-L252 HydrophobicContact CD2-CB 3.97Å; Y117-L252 HydrophobicContact CE1-CB 4.24Å; Y117-L252 HydrophobicContact CE2-CB 3.29Å; Y117-L252 HydrophobicContact CE2-CD1 3.83Å; Y117-L252 HydrophobicContact CE2-CG 4.1Å; Y117-L252 VanDerWaalsContact CZ-CB 3.44Å; Y117-E253 HydrophobicContact CE1-CB 3.85Å; Y117-E253 HydrophobicContact CE1-CG 4.4Å; Y117-N256 HydrophobicContact CD1-CB 4.27Å; Y117-N256 HydrophobicContact CG-CB 4.4Å
118	Y	91.2	Very high	78.5	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.2	-171.7	-62.1	-105.6	0	0	0	110.5	Y64 P65 V68 L83 E84 K85 C116 S131 I132 L134 N256	Y64-Y118 WeakPolarHBondContact CB-OH 3.33Å; P65-Y118 VanDerWaalsContact O-CE1 3.29Å; P65-Y118 WeakPolarHBondContact O-CE1 3.38Å; P65-Y118 PolarHBondContact O-OH 3.44Å; V68-Y118 HydrophobicContact CG2-CD1 4.27Å; V68-Y118 HydrophobicContact CG2-CE1 4.09Å; L83-Y118 HydrophobicContact CB-CD1 4.03Å; L83-Y118 HydrophobicContact CB-CG 4.22Å; E84-Y118 CarbonylContact O-C 3.55Å; E84-Y118 WeakPolarHBondContact O-CA 3.26Å; E84-Y118 WeakPolarHBondContact O-CB 3.45Å; K85-Y118 VanDerWaalsContact CA-CD1 3.44Å; K85-Y118 HydrophobicContact CB-CD1 3.98Å; K85-Y118 HydrophobicContact CB-CE1 3.7Å; K85-Y118 HydrophobicContact CG-CE1 4.41Å; C116-Y118 VanDerWaalsContact C-CD2 3.48Å; C116-Y118 WeakPolarHBondContact O-CD2 3.33Å; C116-Y118 WeakPolarHBondContact O-CE2 3.5Å; Y118-S131 WeakPolarHBondContact O-CA 3.33Å; Y118-I132 PolarHBondContact N-O 2.64Å; Y118-I132 PolarHBondContact O-N 2.9Å; Y118-L134 HydrophobicContact CD2-CD1 3.82Å; Y118-L134 HydrophobicContact CD2-CG 3.95Å; Y118-L134 HydrophobicContact CE2-CB 4.22Å; Y118-L134 HydrophobicContact CE2-CD1 3.62Å; Y118-L134 HydrophobicContact CE2-CG 3.99Å; Y118-N256 PolarHBondContact O-ND2 2.85Å
119	H	92	Very high	78.6	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	162.1	160.7	-68.6	169.8	0	0	0	109	L83 E84 N86 A130 N256 D259 K260	L83-H119 CarbonylContact C-O 3.6Å; L83-H119 WeakPolarHBondContact CA-O 3.3Å; E84-H119 PolarHBondContact N-O 2.75Å; E84-H119 PolarHBondContact O-N 3.1Å; N86-H119 PolarHBondContact ND2-CE1 2.81Å; N86-H119 PolarHBondContact ND2-NE2 3.01Å; H119-A130 CarbonylContact C-O 3.57Å; H119-A130 WeakPolarHBondContact CA-O 3.3Å; H119-N256 PolarHBondContact CD2-OD1 2.75Å; H119-N256 VanDerWaalsContact CD2-OD1 3.28Å; H119-N256 PolarHBondContact NE2-O 3.42Å; H119-N256 PolarHBondContact NE2-OD1 3.18Å; H119-D259 IonicContact CE1-OD2 2.75Å; H119-D259 PolarHBondContact CE1-OD2 3.46Å; H119-K260 HydrophobicContact CB-CD 4.25Å
120	G	88.7	Confident	79.3	Confident	8 Å²	8	49.2 Å²	49.2	8%	0.082	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	-164.9	178.5	0	0	0	0	0	114.6	H82 S129 A130	H82-G120 CarbonylContact O-C 3.58Å; H82-G120 WeakPolarHBondContact O-CA 3.35Å; G120-S129 CarbonylContact O-C 3.53Å; G120-S129 WeakPolarHBondContact O-CA 3.15Å; G120-A130 PolarHBondContact N-O 2.96Å; G120-A130 PolarHBondContact O-N 2.76Å
121	H	87.1	Confident	80.9	Confident	30 Å²	30	46.1 Å²	46.1	14%	0.139	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	167.1	-178.6	67	-85.9	0	0	0	109.9	H82 E451	H82-H121 AromaticContact CD2-CE1 3.83Å; H82-H121 AromaticContact CG-CE1 3.8Å; H82-H121 PolarHBondContact N-O 3.24Å; H82-H121 PolarHBondContact O-N 2.94Å; H82-H121 VanDerWaalsContact O-N 3.08Å; H121-E451 VanDerWaalsContact CE1-CG 3.49Å; H121-E451 WeakPolarHBondContact CE1-CG 3.22Å; H121-E451 IonicContact CE1-OE1 2.8Å; H121-E451 IonicContact CE1-OE2 2.91Å; H121-E451 PolarHBondContact CE1-OE2 2.87Å; H121-E451 VanDerWaalsContact CE1-OE2 3.22Å; H121-E451 IonicContact ND1-OE2 2.73Å; H121-E451 WeakPolarHBondContact NE2-CG 3.45Å; H121-E451 IonicContact NE2-OE1 3.05Å
122	V	88.3	Confident	82.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.6	177.2	179	0	0	0	0	109.2	H79 T80 L81 G124 V125 S128 I142 L144	H79-V122 HydrophobicContact CB-CG1 3.89Å; T80-V122 WeakPolarHBondContact O-CA 3.34Å; L81-V122 HydrophobicContact CD1-CG2 4.14Å; V122-G124 PolarHBondContact O-N 3.13Å; V122-V125 HydrophobicContact CB-CB 4.26Å; V122-V125 HydrophobicContact CB-CG2 4.33Å; V122-V125 HydrophobicContact CG1-CB 4.28Å; V122-V125 HydrophobicContact CG1-CG2 3.8Å; V122-V125 PolarHBondContact O-N 3.39Å; V122-V125 VanDerWaalsContact O-N 3.11Å; V122-S128 PolarHBondContact N-OG 2.89Å; V122-S128 PolarHBondContact O-OG 2.88Å; V122-I142 HydrophobicContact CG2-CG2 3.71Å; V122-L144 HydrophobicContact CB-CD2 3.87Å; V122-L144 HydrophobicContact CG1-CD2 4.06Å; V122-L144 HydrophobicContact CG2-CD2 3.68Å
123	V	85.9	Confident	83.9	Confident	73 Å²	73	39 Å²	39	44%	0.442	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	130.3	-176.8	-178.9	0	0	0	0	109.9	T80 H82 V125	T80-V123 HydrophobicContact CG2-CB 4.43Å; T80-V123 HydrophobicContact CG2-CG2 3.95Å; T80-V123 PolarHBondContact O-N 3.22Å; H82-V123 HydrophobicContact CB-CG2 4.01Å; V123-V125 VanDerWaalsContact C-N 3.3Å; V123-V125 PolarHBondContact O-N 3.37Å
124	G	80.4	Confident	85.7	Confident	84 Å²	84	34.8 Å²	34.8	87%	0.866	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	10.1	-179.8	0	0	0	0	0	115	V122	V122-G124 PolarHBondContact O-N 3.13Å
125	V	79.6	Confident	86.6	Confident	37 Å²	37	34.2 Å²	34.2	22%	0.224	21%	0.209	C	C	.	.			trans	-121.7	110.9	175.2	-175.5	0	0	0	0	109.9	V122 V123 S128 L144	V122-V125 HydrophobicContact CB-CB 4.26Å; V122-V125 HydrophobicContact CB-CG2 4.33Å; V122-V125 HydrophobicContact CG1-CB 4.28Å; V122-V125 HydrophobicContact CG1-CG2 3.8Å; V122-V125 PolarHBondContact O-N 3.39Å; V122-V125 VanDerWaalsContact O-N 3.11Å; V123-V125 VanDerWaalsContact C-N 3.3Å; V123-V125 PolarHBondContact O-N 3.37Å; V125-S128 WeakPolarHBondContact O-CB 3.47Å; V125-S128 PolarHBondContact O-OG 3.33Å; V125-L144 HydrophobicContact CB-CD2 4.48Å; V125-L144 HydrophobicContact CG1-CD2 4.1Å; V125-L144 HydrophobicContact CG2-CD2 4.43Å
126	E	76.1	Confident	86.5	Confident	171 Å²	171	38.1 Å²	38.1	80%	0.799	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	150	173.2	-64.9	-172.9	169.3	0	0	111.6	S128	E126-S128 PolarHBondContact O-N 3.08Å; E126-S128 VanDerWaalsContact O-N 3.08Å
127	D	72.6	Confident	86.3	Confident	150 Å²	150	38.7 Å²	38.7	80%	0.802	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	24.9	-178.2	-58.1	-34.7	0	0	0	114.7
128	S	82.8	Confident	86.1	Confident	17 Å²	17	38.5 Å²	38.5	12%	0.119	24%	0.244	C	C	.	.			trans	-85.6	149.4	172.2	67.3	0	0	0	0	111.5	V122 V125 E126 A143	V122-S128 PolarHBondContact N-OG 2.89Å; V122-S128 PolarHBondContact O-OG 2.88Å; V125-S128 WeakPolarHBondContact O-CB 3.47Å; V125-S128 PolarHBondContact O-OG 3.33Å; E126-S128 PolarHBondContact O-N 3.08Å; E126-S128 VanDerWaalsContact O-N 3.08Å; S128-A143 WeakPolarHBondContact CA-O 3.22Å; S128-A143 WeakPolarHBondContact CB-O 3.11Å
129	S	86.5	Confident	86	Confident	32 Å²	32	40.9 Å²	40.9	22%	0.224	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	141.9	-175.9	172.1	0	0	0	0	110.3	G120 A143 K260	G120-S129 CarbonylContact O-C 3.53Å; G120-S129 WeakPolarHBondContact O-CA 3.15Å; S129-A143 PolarHBondContact N-O 3.27Å; S129-A143 VanDerWaalsContact N-O 3.14Å; S129-A143 WeakPolarHBondContact O-CA 3.33Å; S129-A143 WeakPolarHBondContact O-CB 3.41Å; S129-A143 PolarHBondContact O-N 3.07Å; S129-K260 WeakPolarHBondContact OG-CE 3.45Å
130	A	89.8	Confident	85.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.7	179.7	0	0	0	0	0	111.5	L81 L83 H119 G120 I132 F141 I142	L81-A130 HydrophobicContact CD1-CB 3.6Å; L83-A130 HydrophobicContact CD2-CB 4.46Å; H119-A130 CarbonylContact C-O 3.57Å; H119-A130 WeakPolarHBondContact CA-O 3.3Å; G120-A130 PolarHBondContact N-O 2.96Å; G120-A130 PolarHBondContact O-N 2.76Å; A130-I132 HydrophobicContact CB-CG1 4.29Å; A130-F141 WeakPolarHBondContact CA-O 3.36Å; A130-I142 HydrophobicContact CB-CG1 4.42Å
131	S	92	Very high	85.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	115.4	170.3	-176.8	0	0	0	0	107.3	Y118 G140 F141 N256 H257	Y118-S131 WeakPolarHBondContact O-CA 3.33Å; S131-G140 WeakPolarHBondContact O-CA 3.37Å; S131-F141 PolarHBondContact N-O 2.04Å; S131-F141 VanDerWaalsContact N-O 3.14Å; S131-F141 PolarHBondContact O-N 2.79Å; S131-N256 PolarHBondContact OG-ND2 3.42Å; S131-N256 PolarHBondContact OG-O 3.46Å; S131-H257 VanDerWaalsContact CB-ND1 3.26Å; S131-H257 WeakPolarHBondContact CB-ND1 3.27Å; S131-H257 PolarHBondContact O-CE1 3.35Å; S131-H257 PolarHBondContact OG-CE1 3.14Å; S131-H257 PolarHBondContact OG-ND1 3.14Å
132	I	92.3	Very high	85.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.1	-163.4	-62.3	-64.6	0	0	0	110.2	L81 L83 Y118 A130 L134 M138 K139 I142 I151	L81-I132 HydrophobicContact CD2-CG1 4.26Å; L83-I132 HydrophobicContact CD1-CB 4.17Å; L83-I132 HydrophobicContact CD1-CG1 4.43Å; L83-I132 HydrophobicContact CD1-CG2 3.99Å; L83-I132 HydrophobicContact CD2-CB 4.1Å; L83-I132 HydrophobicContact CD2-CG1 3.89Å; Y118-I132 PolarHBondContact N-O 2.64Å; Y118-I132 PolarHBondContact O-N 2.9Å; A130-I132 HydrophobicContact CB-CG1 4.29Å; I132-L134 HydrophobicContact CG2-CD2 3.62Å; I132-L134 HydrophobicContact CG2-CG 4.17Å; I132-M138 HydrophobicContact CD1-CG 4.39Å; I132-M138 HydrophobicContact CG2-CG 3.6Å; I132-M138 HydrophobicContact CG2-SD 4.5Å; I132-K139 CarbonylContact C-O 3.49Å; I132-K139 WeakPolarHBondContact CA-O 3.49Å; I132-I142 HydrophobicContact CD1-CD1 4.48Å; I132-I142 HydrophobicContact CD1-CG1 4.07Å; I132-I151 HydrophobicContact CD1-CG2 3.87Å
133	G	91.1	Very high	85.7	Confident	6 Å²	6	39.8 Å²	39.8	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.4	163.2	0	0	0	0	0	110.7	C116 K139	C116-G133 WeakPolarHBondContact O-CA 3.49Å; G133-K139 PolarHBondContact N-O 3.35Å; G133-K139 PolarHBondContact O-N 2.89Å
134	L	90.4	Very high	85.4	Confident	21 Å²	21	37.2 Å²	37.2	11%	0.11	23%	0.232	C	C	.	.			trans	-111.4	7.5	178.4	-60.1	-178.1	0	0	0	113.3	V68 Y70 L83 C116 Y118 I132 S136 M138	V68-L134 HydrophobicContact CG2-CD1 3.9Å; Y70-L134 HydrophobicContact CE2-CD1 3.96Å; Y70-L134 HydrophobicContact CE2-CD2 4.44Å; L83-L134 HydrophobicContact CD1-CD1 4.29Å; L83-L134 HydrophobicContact CD1-CD2 4.44Å; C116-L134 HydrophobicContact CB-CB 4.43Å; C116-L134 PolarHBondContact O-N 3.15Å; Y118-L134 HydrophobicContact CD2-CD1 3.82Å; Y118-L134 HydrophobicContact CD2-CG 3.95Å; Y118-L134 HydrophobicContact CE2-CB 4.22Å; Y118-L134 HydrophobicContact CE2-CD1 3.62Å; Y118-L134 HydrophobicContact CE2-CG 3.99Å; I132-L134 HydrophobicContact CG2-CD2 3.62Å; I132-L134 HydrophobicContact CG2-CG 4.17Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 2.93Å; L134-M138 HydrophobicContact CD2-CB 4.05Å; L134-M138 HydrophobicContact CD2-CE 4.09Å; L134-M138 HydrophobicContact CD2-CG 4.01Å
135	C	86.3	Confident	85	Confident	54 Å²	54	40.2 Å²	40.2	37%	0.365	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-34.3	-172	-82.7	0	0	0	0	114.2	C116	C116-C135 HydrophobicContact CB-CB 3.84Å; C116-C135 VanDerWaalsContact CB-N 3.35Å; C116-C135 WeakPolarHBondContact CB-SG 3.42Å; C116-C135 WeakPolarHBondContact SG-CA 3.5Å; C116-C135 WeakPolarHBondContact SG-CB 3.09Å; C116-C135 PolarHBondContact SG-N 3.05Å; C116-C135 CovalentContact SG-SG 1.99Å; C116-C135 PolarHBondContact SG-SG 3.28Å
136	S	83	Confident	84.4	Confident	99 Å²	99	42.5 Å²	42.5	69%	0.692	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.7	48.5	-175.5	-55.7	0	0	0	0	109.5	L134	L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 2.93Å
137	G	83.9	Confident	84.4	Confident	13 Å²	13	37.3 Å²	37.3	13%	0.134	21%	0.21	C	C	.	.	S	Bend	trans	87.6	161.7	-167.6	0	0	0	0	0	112.3	K139	G137-K139 PolarHBondContact O-N 3.49Å
138	M	88.8	Confident	84.7	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.025	17%	0.173	C	C	.	.			trans	-64.4	118.4	-177.4	-167.8	176.2	-69.3	0	0	112.2	P45 Y70 L81 I132 L134 I151 H172	P45-M138 HydrophobicContact CB-CE 3.8Å; P45-M138 HydrophobicContact CB-SD 4.2Å; P45-M138 HydrophobicContact CG-CB 4.33Å; P45-M138 HydrophobicContact CG-CE 4.3Å; P45-M138 HydrophobicContact CG-SD 4.1Å; Y70-M138 HydrophobicContact CD1-CE 3.64Å; Y70-M138 HydrophobicContact CD2-CE 3.66Å; Y70-M138 HydrophobicContact CE1-CE 4.1Å; Y70-M138 HydrophobicContact CE2-CE 4.13Å; Y70-M138 HydrophobicContact CG-CE 3.4Å; Y70-M138 VanDerWaalsContact CG-CE 3.4Å; L81-M138 HydrophobicContact CD2-CE 4.38Å; L81-M138 HydrophobicContact CD2-SD 4.19Å; I132-M138 HydrophobicContact CD1-CG 4.39Å; I132-M138 HydrophobicContact CG2-CG 3.6Å; I132-M138 HydrophobicContact CG2-SD 4.5Å; L134-M138 HydrophobicContact CD2-CB 4.05Å; L134-M138 HydrophobicContact CD2-CE 4.09Å; L134-M138 HydrophobicContact CD2-CG 4.01Å; M138-I151 HydrophobicContact CB-CD1 4.26Å; M138-I151 HydrophobicContact CG-CD1 4.02Å; M138-I151 HydrophobicContact CG-CG2 4.01Å; M138-I151 HydrophobicContact SD-CD1 3.7Å; M138-I151 HydrophobicContact SD-CG2 4.44Å; M138-H172 PolarHBondContact N-NE2 2.85Å; M138-H172 VanDerWaalsContact N-NE2 3.17Å; M138-H172 PolarHBondContact O-CD2 3.16Å
139	K	88.9	Confident	84.9	Confident	51 Å²	51	31.6 Å²	31.6	22%	0.222	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.5	177.2	-170.8	-175.6	173.5	-155.6	0	111	I132 G133 G137 I151 E152 E253	I132-K139 CarbonylContact C-O 3.49Å; I132-K139 WeakPolarHBondContact CA-O 3.49Å; G133-K139 PolarHBondContact N-O 3.35Å; G133-K139 PolarHBondContact O-N 2.89Å; G137-K139 PolarHBondContact O-N 3.49Å; K139-I151 CarbonylContact C-O 3.54Å; K139-I151 VanDerWaalsContact CA-O 3.26Å; K139-I151 WeakPolarHBondContact CA-O 3.41Å; K139-E152 HydrophobicContact CG-CB 4.23Å; K139-E253 WeakPolarHBondContact CD-OE1 2.92Å; K139-E253 WeakPolarHBondContact CE-OE1 3.47Å; K139-E253 WeakPolarHBondContact CE-OE2 3.13Å; K139-E253 IonicContact NZ-OE1 3.45Å; K139-E253 PolarHBondContact NZ-OE1 3.27Å; K139-E253 IonicContact NZ-OE2 3.17Å; K139-E253 PolarHBondContact NZ-OE2 3.16Å
140	G	88.8	Confident	85	Confident	1 Å²	1	30 Å²	30	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.5	-149.8	175.3	0	0	0	0	0	112.9	S131 L150 I151	S131-G140 WeakPolarHBondContact O-CA 3.37Å; G140-L150 WeakPolarHBondContact O-CA 3.38Å; G140-I151 PolarHBondContact N-O 3.02Å; G140-I151 PolarHBondContact O-N 3.2Å
141	F	88.4	Confident	85	Confident	12 Å²	12	30.1 Å²	30.1	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.4	177.9	75.4	-96.1	0	0	0	114.1	A130 S131 M148 Y149 L150 H257 K260 I351	A130-F141 WeakPolarHBondContact CA-O 3.36Å; S131-F141 PolarHBondContact N-O 2.04Å; S131-F141 VanDerWaalsContact N-O 3.14Å; S131-F141 PolarHBondContact O-N 2.79Å; F141-M148 HydrophobicContact CB-CG 4.17Å; F141-M148 HydrophobicContact CB-SD 4.42Å; F141-Y149 CarbonylContact C-O 3.55Å; F141-Y149 VanDerWaalsContact CA-O 3.3Å; F141-Y149 WeakPolarHBondContact CA-O 3.49Å; F141-L150 HydrophobicContact CB-CD2 3.8Å; F141-H257 AromaticContact CD1-CE1 3.93Å; F141-H257 AromaticContact CD1-ND1 3.76Å; F141-H257 AromaticContact CE1-ND1 3.64Å; F141-K260 HydrophobicContact CZ-CG 4.13Å; F141-I351 HydrophobicContact CB-CD1 3.66Å; F141-I351 HydrophobicContact CD1-CD1 3.92Å; F141-I351 HydrophobicContact CD1-CG1 4.17Å; F141-I351 HydrophobicContact CG-CD1 4.24Å
142	I	88.5	Confident	84.8	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	111.5	174.8	-50.4	-179.5	0	0	0	107.5	F72 I74 L81 V122 A130 I132 L144 Y149	F72-I142 HydrophobicContact CE1-CD1 4.24Å; F72-I142 HydrophobicContact CE2-CD1 3.6Å; F72-I142 HydrophobicContact CZ-CD1 3.25Å; I74-I142 HydrophobicContact CD1-CD1 4.49Å; I74-I142 HydrophobicContact CD1-CG2 4.45Å; L81-I142 HydrophobicContact CD1-CD1 4.47Å; L81-I142 HydrophobicContact CD1-CG2 4.49Å; L81-I142 HydrophobicContact CD2-CD1 3.96Å; V122-I142 HydrophobicContact CG2-CG2 3.71Å; A130-I142 HydrophobicContact CB-CG1 4.42Å; I132-I142 HydrophobicContact CD1-CD1 4.48Å; I132-I142 HydrophobicContact CD1-CG1 4.07Å; I142-L144 HydrophobicContact CG2-CG 4.41Å; I142-Y149 PolarHBondContact N-O 3.19Å; I142-Y149 PolarHBondContact O-N 3.3Å
143	A	83.4	Confident	84.7	Confident	7 Å²	7	33.3 Å²	33.3	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124	173	0	0	0	0	0	109.6	S128 S129	S128-A143 WeakPolarHBondContact CA-O 3.22Å; S128-A143 WeakPolarHBondContact CB-O 3.11Å; S129-A143 PolarHBondContact N-O 3.27Å; S129-A143 VanDerWaalsContact N-O 3.14Å; S129-A143 WeakPolarHBondContact O-CA 3.33Å; S129-A143 WeakPolarHBondContact O-CB 3.41Å; S129-A143 PolarHBondContact O-N 3.07Å
144	L	79.9	Confident	84.4	Confident	19 Å²	19	33.8 Å²	33.8	10%	0.099	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	105.4	174.9	-73.1	175.3	0	0	0	107.2	I74 V122 V125 I142 D146 Q147 Y149	I74-L144 HydrophobicContact CD1-CD1 3.9Å; V122-L144 HydrophobicContact CB-CD2 3.87Å; V122-L144 HydrophobicContact CG1-CD2 4.06Å; V122-L144 HydrophobicContact CG2-CD2 3.68Å; V125-L144 HydrophobicContact CB-CD2 4.48Å; V125-L144 HydrophobicContact CG1-CD2 4.1Å; V125-L144 HydrophobicContact CG2-CD2 4.43Å; I142-L144 HydrophobicContact CG2-CG 4.41Å; L144-D146 PolarHBondContact O-N 3.03Å; L144-Q147 PolarHBondContact N-O 2.95Å; L144-Q147 PolarHBondContact O-N 2.57Å; L144-Y149 HydrophobicContact CB-CE2 4.39Å; L144-Y149 HydrophobicContact CD1-CD2 4.04Å; L144-Y149 HydrophobicContact CD1-CE2 3.98Å
145	Q	72.3	Confident	83.3	Confident	147 Å²	147	37.2 Å²	37.2	69%	0.687	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	-125.3	-175.6	-56.1	174.1	-31.3	0	0	110.2	Q147 K397	Q145-Q147 VanDerWaalsContact C-N 3.34Å; Q145-Q147 PolarHBondContact O-N 3.07Å; Q145-K397 PolarHBondContact O-NZ 3.02Å
146	D	67.5	Low	82	Confident	85 Å²	85	37.4 Å²	37.4	46%	0.455	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.5	179.2	-64.5	-36.4	0	0	0	114.5	L144 S378 K397	L144-D146 PolarHBondContact O-N 3.03Å; D146-S378 VanDerWaalsContact CG-OG 3.29Å; D146-S378 PolarHBondContact OD1-OG 2.92Å; D146-S378 PolarHBondContact OD2-OG 3.48Å; D146-K397 VanDerWaalsContact C-NZ 3.3Å; D146-K397 PolarHBondContact O-NZ 2.83Å
147	Q	74.6	Confident	79.9	Confident	62 Å²	62	41.8 Å²	41.8	29%	0.29	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	149.1	177.2	-58.6	-52	-55.4	0	0	111.8	L144 Q145 Y149 N176 K397	L144-Q147 PolarHBondContact N-O 2.95Å; L144-Q147 PolarHBondContact O-N 2.57Å; Q145-Q147 VanDerWaalsContact C-N 3.34Å; Q145-Q147 PolarHBondContact O-N 3.07Å; Q147-Y149 HydrophobicContact CB-CD2 4.37Å; Q147-Y149 HydrophobicContact CB-CE2 3.63Å; Q147-N176 PolarHBondContact OE1-ND2 2.93Å; Q147-K397 VanDerWaalsContact C-NZ 3.31Å; Q147-K397 PolarHBondContact O-NZ 2.86Å
148	M	80.6	Confident	77.7	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.9	172.3	177.4	-169.2	-73.1	0	0	108.2	F141 L150 Y177 K397	F141-M148 HydrophobicContact CB-CG 4.17Å; F141-M148 HydrophobicContact CB-SD 4.42Å; M148-L150 HydrophobicContact SD-CD2 4.48Å; M148-Y177 HydrophobicContact CB-CD1 3.75Å; M148-Y177 HydrophobicContact CB-CE1 4.39Å; M148-Y177 WeakPolarHBondContact O-CD1 3.26Å; M148-Y177 PolarHBondContact O-N 3.16Å; M148-K397 HydrophobicContact CE-CD 4.38Å; M148-K397 HydrophobicContact CE-CG 3.52Å
149	Y	87	Confident	75	Confident	42 Å²	42	53.5 Å²	53.5	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.1	177.3	-64.6	-88.9	0	0	0	108.9	I74 F141 I142 L144 Q147 V174 Y175 N176	I74-Y149 HydrophobicContact CD1-CD2 4.46Å; I74-Y149 HydrophobicContact CD1-CG 4.39Å; I74-Y149 HydrophobicContact CG2-CD1 3.5Å; I74-Y149 HydrophobicContact CG2-CD2 3.94Å; I74-Y149 HydrophobicContact CG2-CE1 3.49Å; I74-Y149 VanDerWaalsContact CG2-CE1 3.49Å; I74-Y149 HydrophobicContact CG2-CE2 3.94Å; I74-Y149 HydrophobicContact CG2-CG 3.72Å; F141-Y149 CarbonylContact C-O 3.55Å; F141-Y149 VanDerWaalsContact CA-O 3.3Å; F141-Y149 WeakPolarHBondContact CA-O 3.49Å; I142-Y149 PolarHBondContact N-O 3.19Å; I142-Y149 PolarHBondContact O-N 3.3Å; L144-Y149 HydrophobicContact CB-CE2 4.39Å; L144-Y149 HydrophobicContact CD1-CD2 4.04Å; L144-Y149 HydrophobicContact CD1-CE2 3.98Å; Q147-Y149 HydrophobicContact CB-CD2 4.37Å; Q147-Y149 HydrophobicContact CB-CE2 3.63Å; Y149-V174 HydrophobicContact CD1-CG1 4.41Å; Y149-Y175 CarbonylContact C-O 3.54Å; Y149-Y175 WeakPolarHBondContact CA-O 3.39Å; Y149-N176 HydrophobicContact CD1-CB 4.38Å; Y149-N176 HydrophobicContact CE1-CB 4.25Å
150	L	87.8	Confident	72.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.4	173.6	-57.7	-178.3	0	0	0	107.8	G140 F141 M148 V174 Y175 L180 I351	G140-L150 WeakPolarHBondContact O-CA 3.38Å; F141-L150 HydrophobicContact CB-CD2 3.8Å; M148-L150 HydrophobicContact SD-CD2 4.48Å; L150-V174 VanDerWaalsContact O-CA 3.3Å; L150-V174 WeakPolarHBondContact O-CA 3.37Å; L150-Y175 HydrophobicContact CB-CD2 4.14Å; L150-Y175 HydrophobicContact CB-CE1 4.36Å; L150-Y175 HydrophobicContact CB-CE2 3.76Å; L150-Y175 HydrophobicContact CD1-CD2 4.38Å; L150-Y175 HydrophobicContact CD1-CE2 3.68Å; L150-Y175 HydrophobicContact CG-CE2 4.22Å; L150-Y175 PolarHBondContact N-O 3.27Å; L150-Y175 PolarHBondContact O-N 3.04Å; L150-L180 HydrophobicContact CD1-CD1 4.35Å; L150-I351 HydrophobicContact CD2-CD1 3.2Å
151	I	89.4	Confident	69.6	Low	2 Å²	2	62.7 Å²	62.7	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.2	173.5	-171.3	166.5	0	0	0	109.2	P45 I132 M138 K139 G140 H172 A173 V174	P45-I151 HydrophobicContact CG-CD1 3.97Å; I132-I151 HydrophobicContact CD1-CG2 3.87Å; M138-I151 HydrophobicContact CB-CD1 4.26Å; M138-I151 HydrophobicContact CG-CD1 4.02Å; M138-I151 HydrophobicContact CG-CG2 4.01Å; M138-I151 HydrophobicContact SD-CD1 3.7Å; M138-I151 HydrophobicContact SD-CG2 4.44Å; K139-I151 CarbonylContact C-O 3.54Å; K139-I151 VanDerWaalsContact CA-O 3.26Å; K139-I151 WeakPolarHBondContact CA-O 3.41Å; G140-I151 PolarHBondContact N-O 3.02Å; G140-I151 PolarHBondContact O-N 3.2Å; I151-H172 HydrophobicContact CD1-CB 3.97Å; I151-H172 HydrophobicContact CG1-CB 3.83Å; I151-A173 WeakPolarHBondContact CA-O 3.03Å; I151-V174 HydrophobicContact CB-CG2 4.29Å; I151-V174 HydrophobicContact CD1-CG2 3.85Å; I151-V174 HydrophobicContact CG1-CG2 3.87Å
152	E	89	Confident	67	Low	20 Å²	20	71.1 Å²	71.1	9%	0.093	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	148.8	172	69.3	-168.1	148.3	0	0	111.2	L34 H36 K139 H172 A173 Y175	L34-E152 HydrophobicContact CD1-CG 4.48Å; H36-E152 IonicContact CD2-OE1 3.92Å; H36-E152 IonicContact CE1-OE1 3.66Å; H36-E152 IonicContact CE1-OE2 3.74Å; H36-E152 VanDerWaalsContact NE2-CD 3.3Å; H36-E152 IonicContact NE2-OE1 3.66Å; H36-E152 PolarHBondContact NE2-OE1 2.86Å; H36-E152 IonicContact NE2-OE2 3.27Å; H36-E152 PolarHBondContact NE2-OE2 3.41Å; H36-E152 VanDerWaalsContact NE2-OE2 3.1Å; K139-E152 HydrophobicContact CG-CB 4.23Å; E152-H172 CarbonylContact O-C 3.55Å; E152-H172 WeakPolarHBondContact O-CA 3.43Å; E152-H172 WeakPolarHBondContact O-CB 3.45Å; E152-A173 HydrophobicContact CG-CB 4.28Å; E152-A173 PolarHBondContact N-O 3.02Å; E152-A173 PolarHBondContact O-N 3.22Å; E152-Y175 HydrophobicContact CG-CE1 4.19Å; E152-Y175 WeakPolarHBondContact OE1-CE1 3.35Å; E152-Y175 VanDerWaalsContact OE1-CZ 3.27Å; E152-Y175 PolarHBondContact OE1-OH 3.25Å
153	P	89	Confident	64.3	Low	46 Å²	46	77.8 Å²	77.8	30%	0.299	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139	177.9	27.3	-34.6	0	0	0	111.2
154	L	84.7	Confident	62.3	Low	16 Å²	16	86.3 Å²	86.3	8%	0.084	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-83.3	140.3	171	-74	165.7	0	0	0	110.2	L34 Y40 T42 G156 L171 A173	L34-L154 HydrophobicContact CD1-CD2 3.92Å; L34-L154 HydrophobicContact CD2-CD2 4.08Å; L34-L154 HydrophobicContact CG-CD2 3.97Å; Y40-L154 HydrophobicContact CE2-CD1 4.08Å; Y40-L154 HydrophobicContact CE2-CD2 4.24Å; T42-L154 HydrophobicContact CG2-CD1 3.87Å; L154-G156 PolarHBondContact O-N 3.44Å; L154-G156 VanDerWaalsContact O-N 3.16Å; L154-L171 WeakPolarHBondContact CB-O 2.96Å; L154-L171 HydrophobicContact CD1-CB 4.34Å; L154-L171 HydrophobicContact CD1-CD2 3.74Å; L154-L171 HydrophobicContact CD1-CG 3.91Å; L154-L171 PolarHBondContact N-O 3.15Å; L154-A173 HydrophobicContact CD1-CB 4.46Å; L154-A173 HydrophobicContact CD2-CB 3.96Å; L154-A173 HydrophobicContact CG-CB 4.06Å
155	P	68.8	Low	60.2	Low	94 Å²	94	89.3 Å²	89.3	61%	0.61	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-58.4	120.1	174.9	-20.8	30.6	0	0	0	111.1	K32	K32-P155 PolarHBondContact NZ-O 2.91Å
156	G	57.9	Low	58.8	Low	57 Å²	57	90.1 Å²	90.1	59%	0.588	51%	0.505	S	S	*	.			trans	-106.9	144.8	174.5	0	0	0	0	0	111.7	L154 T158	L154-G156 PolarHBondContact O-N 3.44Å; L154-G156 VanDerWaalsContact O-N 3.16Å; G156-T158 PolarHBondContact O-N 3.47Å; G156-T158 VanDerWaalsContact O-N 3.16Å
157	E	39.1	Very low	57.9	Low	191 Å²	191	88.4 Å²	88.4	89%	0.893	50%	0.5	S	S	*	.			trans	-61.4	113.7	167.2	-80.3	177.6	155.1	0	0	108.2	T159	E157-T159 VanDerWaalsContact C-N 3.33Å; E157-T159 PolarHBondContact O-N 3.25Å
158	T	36.8	Very low	56.7	Low	134 Å²	134	87.6 Å²	87.6	82%	0.822	50%	0.497	S	S	*	.			trans	-66.2	96.1	164	35.6	0	0	0	0	107.8	G156 G160	G156-T158 PolarHBondContact O-N 3.47Å; G156-T158 VanDerWaalsContact O-N 3.16Å; T158-G160 PolarHBondContact O-N 3.37Å
159	T	33.1	Very low	55.6	Low	130 Å²	130	92.9 Å²	92.9	80%	0.798	53%	0.526	S	S	*	.			trans	-58	110.7	151.5	43.9	0	0	0	0	105.6	E157 Q161	E157-T159 VanDerWaalsContact C-N 3.33Å; E157-T159 PolarHBondContact O-N 3.25Å; T159-Q161 PolarHBondContact O-N 3.19Å
160	G	33.7	Very low	54.9	Low	68 Å²	68	94.9 Å²	94.9	70%	0.701	54%	0.539	S	S	*	.	S	Bend	trans	-55.9	101.1	-170	0	0	0	0	0	112.1	T158	T158-G160 PolarHBondContact O-N 3.37Å
161	Q	30.1	Very low	54.9	Low	177 Å²	177	98.6 Å²	98.6	83%	0.827	56%	0.559	S	S	*	*			trans	-158.5	127.3	150.7	-120.2	138.5	-2	0	0	109.2	T159 D163	T159-Q161 PolarHBondContact O-N 3.19Å; Q161-D163 PolarHBondContact O-N 2.77Å
162	Q	33.3	Very low	54.9	Low	190 Å²	190	98.6 Å²	98.6	89%	0.888	56%	0.559	S	S	*	*			trans	-69.1	86.8	-178.5	-69	166.3	-23.3	0	0	109.7
163	D	33.4	Very low	54.9	Low	141 Å²	141	97.7 Å²	97.7	75%	0.754	55%	0.554	S	S	*	*			trans	-129.5	82.9	164.3	-78.3	-40.2	0	0	0	109	Q161 A165	Q161-D163 PolarHBondContact O-N 2.77Å; D163-A165 PolarHBondContact O-N 2.72Å
164	E	40	Very low	54.9	Low	187 Å²	187	95.8 Å²	95.8	87%	0.874	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	16.1	179.5	-66.1	-166.9	154.3	0	0	114.3
165	A	35.4	Very low	55	Low	81 Å²	81	95.2 Å²	95.2	67%	0.669	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-10.7	-170.3	0	0	0	0	0	115.9	D163	D163-A165 PolarHBondContact O-N 2.72Å
166	H	43.6	Very low	55.7	Low	164 Å²	164	91.6 Å²	91.6	76%	0.759	51%	0.514	S	S	*	.			trans	-143.5	66.9	179.7	-80.2	-48.8	0	0	0	113.7	D168	H166-D168 VanDerWaalsContact C-N 3.29Å
167	S	48.2	Very low	56.6	Low	49 Å²	49	89.3 Å²	89.3	34%	0.343	49%	0.488	S	S	.	.			trans	-84.6	5.4	172.6	178.8	0	0	0	0	113.6	N169 N170	S167-N169 PolarHBondContact O-N 3.03Å; S167-N169 VanDerWaalsContact O-N 3.13Å; S167-N170 PolarHBondContact O-N 3Å; S167-N170 PolarHBondContact O-ND2 2.92Å; S167-N170 PolarHBondContact OG-ND2 3.25Å
168	D	50.8	Low	58.1	Low	45 Å²	45	85.5 Å²	85.5	24%	0.241	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.1	-171.9	-79.8	-35.1	0	0	0	113.5	Y70 H166	Y70-D168 PolarHBondContact OH-OD1 2.81Å; H166-D168 VanDerWaalsContact C-N 3.29Å
169	N	57.8	Low	60.1	Low	116 Å²	116	82.1 Å²	82.1	62%	0.62	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	14.8	-175.8	-70.5	-21.8	0	0	0	114.8	T44 S167	T44-N169 HydrophobicContact CG2-CB 4.48Å; T44-N169 WeakPolarHBondContact CG2-O 3.27Å; S167-N169 PolarHBondContact O-N 3.03Å; S167-N169 VanDerWaalsContact O-N 3.13Å
170	N	72.3	Confident	62	Low	85 Å²	85	76.3 Å²	76.3	46%	0.455	41%	0.407	S	S	.	.			trans	-69.5	156.2	177.4	-75.5	-31.2	0	0	0	111.7	S167 H172	S167-N170 PolarHBondContact O-N 3Å; S167-N170 PolarHBondContact O-ND2 2.92Å; S167-N170 PolarHBondContact OG-ND2 3.25Å; N170-H172 PolarHBondContact O-CE1 2.84Å; N170-H172 VanDerWaalsContact O-CE1 3.31Å; N170-H172 PolarHBondContact O-ND1 3.5Å
171	L	85.9	Confident	63.6	Low	77 Å²	77	79.3 Å²	79.3	40%	0.403	40%	0.397	S	S	.	.			trans	-78.3	130.6	179.5	-159.9	72.1	0	0	0	109.5	T42 L154	T42-L171 HydrophobicContact CG2-CD1 4.48Å; T42-L171 HydrophobicContact CG2-CD2 3.82Å; T42-L171 HydrophobicContact CG2-CG 4.1Å; L154-L171 WeakPolarHBondContact CB-O 2.96Å; L154-L171 HydrophobicContact CD1-CB 4.34Å; L154-L171 HydrophobicContact CD1-CD2 3.74Å; L154-L171 HydrophobicContact CD1-CG 3.91Å; L154-L171 PolarHBondContact N-O 3.15Å
172	H	89.5	Confident	65.1	Low	3 Å²	3	74.5 Å²	74.5	1%	0.014	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	147.4	177.8	-64	73.5	0	0	0	111	T42 A43 P45 M138 I151 E152 N170	T42-H172 CarbonylContact C-O 3.48Å; T42-H172 VanDerWaalsContact CA-O 3.26Å; T42-H172 WeakPolarHBondContact CA-O 3.44Å; A43-H172 PolarHBondContact N-O 3.03Å; A43-H172 WeakPolarHBondContact O-CB 3.45Å; A43-H172 PolarHBondContact O-N 3.38Å; P45-H172 WeakPolarHBondContact CD-ND1 3.39Å; M138-H172 PolarHBondContact N-NE2 2.85Å; M138-H172 VanDerWaalsContact N-NE2 3.17Å; M138-H172 PolarHBondContact O-CD2 3.16Å; I151-H172 HydrophobicContact CD1-CB 3.97Å; I151-H172 HydrophobicContact CG1-CB 3.83Å; E152-H172 CarbonylContact O-C 3.55Å; E152-H172 WeakPolarHBondContact O-CA 3.43Å; E152-H172 WeakPolarHBondContact O-CB 3.45Å; N170-H172 PolarHBondContact O-CE1 2.84Å; N170-H172 VanDerWaalsContact O-CE1 3.31Å; N170-H172 PolarHBondContact O-ND1 3.5Å
173	A	89.1	Confident	66	Low	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.4	164.7	0	0	0	0	0	108.9	L34 Y40 I151 E152 L154 Y175	L34-A173 HydrophobicContact CD1-CB 3.48Å; L34-A173 VanDerWaalsContact CD1-CB 3.48Å; Y40-A173 HydrophobicContact CD2-CB 3.6Å; Y40-A173 HydrophobicContact CE2-CB 4.18Å; Y40-A173 HydrophobicContact CG-CB 3.91Å; I151-A173 WeakPolarHBondContact CA-O 3.03Å; E152-A173 HydrophobicContact CG-CB 4.28Å; E152-A173 PolarHBondContact N-O 3.02Å; E152-A173 PolarHBondContact O-N 3.22Å; L154-A173 HydrophobicContact CD1-CB 4.46Å; L154-A173 HydrophobicContact CD2-CB 3.96Å; L154-A173 HydrophobicContact CG-CB 4.06Å; A173-Y175 HydrophobicContact CB-CD1 4.23Å; A173-Y175 HydrophobicContact CB-CE1 4.3Å
174	V	89.9	Confident	66.9	Low	6 Å²	6	75.1 Å²	75.1	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.6	170.9	-179.2	0	0	0	0	108.4	Q41 A43 I74 Y149 L150 I151	Q41-V174 PolarHBondContact N-O 3.1Å; Q41-V174 PolarHBondContact O-N 3.12Å; A43-V174 HydrophobicContact CB-CG2 3.61Å; I74-V174 HydrophobicContact CG1-CG1 4.27Å; I74-V174 HydrophobicContact CG2-CG1 4.3Å; Y149-V174 HydrophobicContact CD1-CG1 4.41Å; L150-V174 VanDerWaalsContact O-CA 3.3Å; L150-V174 WeakPolarHBondContact O-CA 3.37Å; I151-V174 HydrophobicContact CB-CG2 4.29Å; I151-V174 HydrophobicContact CD1-CG2 3.85Å; I151-V174 HydrophobicContact CG1-CG2 3.87Å
175	Y	86.4	Confident	67.7	Low	5 Å²	5	66.8 Å²	66.8	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.3	-178.9	51.2	-84	0	0	0	111.9	V37 K39 Y149 L150 E152 A173 L180	V37-Y175 HydrophobicContact CG1-CD1 3.99Å; V37-Y175 HydrophobicContact CG1-CD2 3.82Å; V37-Y175 HydrophobicContact CG1-CE1 4.28Å; V37-Y175 HydrophobicContact CG1-CE2 4.1Å; V37-Y175 HydrophobicContact CG1-CG 3.75Å; V37-Y175 HydrophobicContact CG2-CD1 4.32Å; V37-Y175 HydrophobicContact CG2-CD2 4.4Å; V37-Y175 HydrophobicContact CG2-CE1 3.78Å; V37-Y175 HydrophobicContact CG2-CE2 3.85Å; K39-Y175 VanDerWaalsContact O-CB 3.25Å; K39-Y175 WeakPolarHBondContact O-CB 3.38Å; Y149-Y175 CarbonylContact C-O 3.54Å; Y149-Y175 WeakPolarHBondContact CA-O 3.39Å; L150-Y175 HydrophobicContact CB-CD2 4.14Å; L150-Y175 HydrophobicContact CB-CE1 4.36Å; L150-Y175 HydrophobicContact CB-CE2 3.76Å; L150-Y175 HydrophobicContact CD1-CD2 4.38Å; L150-Y175 HydrophobicContact CD1-CE2 3.68Å; L150-Y175 HydrophobicContact CG-CE2 4.22Å; L150-Y175 PolarHBondContact N-O 3.27Å; L150-Y175 PolarHBondContact O-N 3.04Å; E152-Y175 HydrophobicContact CG-CE1 4.19Å; E152-Y175 WeakPolarHBondContact OE1-CE1 3.35Å; E152-Y175 VanDerWaalsContact OE1-CZ 3.27Å; E152-Y175 PolarHBondContact OE1-OH 3.25Å; A173-Y175 HydrophobicContact CB-CD1 4.23Å; A173-Y175 HydrophobicContact CB-CE1 4.3Å; Y175-L180 HydrophobicContact CE2-CD1 3.77Å
176	N	84.3	Confident	68.5	Low	17 Å²	17	64.4 Å²	64.4	9%	0.091	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.5	170.1	-169.1	-74.5	0	0	0	109.1	Q147 Y149 K178 H179	Q147-N176 PolarHBondContact OE1-ND2 2.93Å; Y149-N176 HydrophobicContact CD1-CB 4.38Å; Y149-N176 HydrophobicContact CE1-CB 4.25Å; N176-K178 PolarHBondContact O-N 3.2Å; N176-K178 WeakPolarHBondContact OD1-CB 3.37Å; N176-K178 WeakPolarHBondContact OD1-CD 3.31Å; N176-K178 WeakPolarHBondContact OD1-CG 3.33Å; N176-K178 PolarHBondContact OD1-N 2.8Å; N176-K178 VanDerWaalsContact OD1-N 3.13Å; N176-H179 WeakPolarHBondContact O-CB 3.45Å; N176-H179 PolarHBondContact O-N 3.09Å
177	Y	75.2	Confident	68.8	Low	9 Å²	9	57 Å²	57	4%	0.035	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-52.4	-27.5	-178.5	76.4	-89.4	0	0	0	113.4	M148 H179 L180 R182 L393 V394	M148-Y177 HydrophobicContact CB-CD1 3.75Å; M148-Y177 HydrophobicContact CB-CE1 4.39Å; M148-Y177 WeakPolarHBondContact O-CD1 3.26Å; M148-Y177 PolarHBondContact O-N 3.16Å; Y177-H179 PolarHBondContact O-N 2.95Å; Y177-H179 VanDerWaalsContact O-N 3.15Å; Y177-L180 VanDerWaalsContact O-CB 3.3Å; Y177-L180 WeakPolarHBondContact O-CB 3.41Å; Y177-L180 PolarHBondContact O-N 3.29Å; Y177-R182 PolarHBondContact O-NH2 2.91Å; Y177-L393 WeakPolarHBondContact CD2-O 3.07Å; Y177-L393 WeakPolarHBondContact CE2-O 3.35Å; Y177-V394 HydrophobicContact CE1-CG1 3.96Å; Y177-V394 HydrophobicContact CE2-CB 3.98Å; Y177-V394 HydrophobicContact CE2-CG1 4.06Å; Y177-V394 HydrophobicContact CE2-CG2 4.07Å; Y177-V394 WeakPolarHBondContact OH-CG1 3.26Å; Y177-V394 WeakPolarHBondContact OH-CG2 3.28Å
178	K	71.4	Confident	68.6	Low	112 Å²	112	56.3 Å²	56.3	49%	0.487	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20.1	177.5	-66.5	170.2	-174.9	166.2	0	113	N176	N176-K178 PolarHBondContact O-N 3.2Å; N176-K178 WeakPolarHBondContact OD1-CB 3.37Å; N176-K178 WeakPolarHBondContact OD1-CD 3.31Å; N176-K178 WeakPolarHBondContact OD1-CG 3.33Å; N176-K178 PolarHBondContact OD1-N 2.8Å; N176-K178 VanDerWaalsContact OD1-N 3.13Å
179	H	78.3	Confident	68.3	Low	63 Å²	63	58 Å²	58	29%	0.292	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-90.4	2.4	178.1	-62.2	-55.7	0	0	0	113.4	V37 I38 K39 N176 Y177	V37-H179 CarbonylContact C-O 3.57Å; V37-H179 WeakPolarHBondContact CA-O 3.21Å; V37-H179 HydrophobicContact CG1-CB 4.41Å; I38-H179 HydrophobicContact CB-CB 4.32Å; I38-H179 WeakPolarHBondContact CB-O 3.48Å; I38-H179 WeakPolarHBondContact CG1-O 3.28Å; I38-H179 PolarHBondContact N-O 2.75Å; K39-H179 HydrophobicContact CB-CB 4.42Å; K39-H179 VanDerWaalsContact O-CB 3.27Å; K39-H179 WeakPolarHBondContact O-CB 3.25Å; N176-H179 WeakPolarHBondContact O-CB 3.45Å; N176-H179 PolarHBondContact O-N 3.09Å; Y177-H179 PolarHBondContact O-N 2.95Å; Y177-H179 VanDerWaalsContact O-N 3.15Å
180	L	73	Confident	67.2	Low	8 Å²	8	53.6 Å²	53.6	4%	0.042	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-74.8	130.8	172.8	-159.9	81	0	0	0	109.8	L150 Y175 Y177 R182 N347 N349 Y395	L150-L180 HydrophobicContact CD1-CD1 4.35Å; Y175-L180 HydrophobicContact CE2-CD1 3.77Å; Y177-L180 VanDerWaalsContact O-CB 3.3Å; Y177-L180 WeakPolarHBondContact O-CB 3.41Å; Y177-L180 PolarHBondContact O-N 3.29Å; L180-R182 HydrophobicContact CB-CG 4.36Å; L180-R182 HydrophobicContact CD2-CG 4.1Å; L180-R182 HydrophobicContact CG-CG 4.41Å; L180-N347 VanDerWaalsContact CD2-ND2 3.33Å; L180-N347 WeakPolarHBondContact CD2-ND2 3.05Å; L180-N349 HydrophobicContact CD1-CB 4.44Å; L180-N349 HydrophobicContact CD2-CB 4.38Å; L180-Y395 HydrophobicContact CD2-CE2 3.85Å; L180-Y395 VanDerWaalsContact CD2-OH 3.3Å; L180-Y395 WeakPolarHBondContact CD2-OH 3.29Å
181	R	67.5	Low	65.1	Low	131 Å²	131	57.7 Å²	57.7	49%	0.494	27%	0.271	S	S	.	.			trans	-69.3	129.4	169.5	-67.1	-167.2	174.9	93.2	3.9	108.4	L34 P35 H36 V37 I38	L34-R181 PolarHBondContact O-NH1 3.48Å; P35-R181 VanDerWaalsContact C-NH1 3.32Å; P35-R181 WeakPolarHBondContact O-CD 3.4Å; P35-R181 PolarHBondContact O-NH1 2.6Å; H36-R181 PolarHBondContact O-N 3.15Å; V37-R181 PolarHBondContact O-NH1 2.93Å; I38-R181 HydrophobicContact CG1-CG 3.84Å
182	R	61.2	Low	62.4	Low	76 Å²	76	58.2 Å²	58.2	29%	0.287	28%	0.277	S	S	.	.			trans	-140	148.7	-174.5	-63.2	-174.6	-169.7	172.3	4.8	112.9	Y177 L180 L393 Y395	Y177-R182 PolarHBondContact O-NH2 2.91Å; L180-R182 HydrophobicContact CB-CG 4.36Å; L180-R182 HydrophobicContact CD2-CG 4.1Å; L180-R182 HydrophobicContact CG-CG 4.41Å; R182-L393 PolarHBondContact NH1-O 2.84Å; R182-Y395 VanDerWaalsContact CZ-CE2 3.42Å
183	K	53.5	Low	59.6	Low	104 Å²	104	65.1 Å²	65.1	45%	0.452	32%	0.32	S	S	.	.			trans	-75	140.6	159.7	-162.6	174.5	175.7	-170.9	0	107.6	S185 D320 E344	K183-S185 PolarHBondContact O-N 2.03Å; K183-D320 IonicContact NZ-OD2 3.53Å; K183-D320 PolarHBondContact NZ-OD2 2.84Å; K183-E344 IonicContact NZ-OE1 3.1Å
184	R	51.8	Low	56.7	Low	239 Å²	239	68.1 Å²	68.1	90%	0.902	34%	0.338	S	S	*	.			trans	-75.8	120.3	170.5	-80.4	-174.4	179.2	175.9	1.2	107.4
185	S	55.8	Low	53.9	Low	12 Å²	12	72.2 Å²	72.2	8%	0.084	36%	0.356	C	S	.	.			trans	-130.7	140.9	-173.4	-54.9	0	0	0	0	110.7	K183 S324 V326 V391	K183-S185 PolarHBondContact O-N 2.03Å; S185-S324 CarbonylContact C-O 3.2Å; S185-S324 VanDerWaalsContact CA-O 3.29Å; S185-S324 WeakPolarHBondContact CA-O 3.43Å; S185-S324 WeakPolarHBondContact CB-O 3.29Å; S185-V326 VanDerWaalsContact CB-CG1 3.45Å; S185-V391 PolarHBondContact O-N 3.48Å; S185-V391 VanDerWaalsContact O-N 3.12Å
186	S	54	Low	51.4	Low	31 Å²	31	78.6 Å²	78.6	22%	0.217	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-131.9	137.2	176	68.2	0	0	0	0	108.6	S188 S324 T325	S186-S188 PolarHBondContact O-N 3.35Å; S186-S324 CarbonylContact C-O 3.48Å; S186-S324 PolarHBondContact N-O 3.15Å; S186-S324 CarbonylContact O-C 3.49Å; S186-S324 VanDerWaalsContact OG-CB 3.29Å; S186-S324 WeakPolarHBondContact OG-CB 3.37Å; S186-S324 PolarHBondContact OG-OG 3.08Å; S186-T325 WeakPolarHBondContact O-CA 3Å; S186-T325 PolarHBondContact O-N 3.37Å; S186-T325 VanDerWaalsContact O-N 3.09Å
187	C	48.5	Very low	48.9	Very low	10 Å²	10	82.8 Å²	82.8	7%	0.068	40%	0.403	C	S	.	.			trans	-71.3	102.2	173.3	-58	0	0	0	0	107.9	E389	C187-E389 PolarHBondContact N-O 2.8Å
188	S	44.3	Very low	46.8	Very low	34 Å²	34	88.4 Å²	88.4	24%	0.238	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-79.1	132.2	179.7	-157.8	0	0	0	0	109.6	S186 T325	S186-S188 PolarHBondContact O-N 3.35Å; S188-T325 WeakPolarHBondContact CB-OG1 2.99Å
189	H	45.5	Very low	44.8	Very low	81 Å²	81	85.3 Å²	85.3	38%	0.375	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-67.9	135.4	148.4	-70	45.6	0	0	0	106.5	N191 D197 H369	H189-N191 PolarHBondContact O-N 3.07Å; H189-D197 IonicContact CD2-OD1 3.61Å; H189-D197 IonicContact CD2-OD2 3.95Å; H189-H369 AromaticContact CE1-CE1 3.5Å; H189-H369 PolarHBondContact CE1-CE1 3.36Å; H189-H369 VanDerWaalsContact CE1-CE1 3.5Å; H189-H369 AromaticContact ND1-CE1 3.91Å
190	G	33.4	Very low	42.4	Very low	23 Å²	23	85.2 Å²	85.2	24%	0.237	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-51.9	143.6	-175.8	0	0	0	0	0	112.2	T192 E290	G190-T192 PolarHBondContact O-N 2.82Å; G190-E290 VanDerWaalsContact CA-OE1 3.3Å; G190-E290 WeakPolarHBondContact CA-OE1 3.1Å
191	N	28.5	Very low	40.2	Very low	171 Å²	171	94.7 Å²	94.7	91%	0.914	47%	0.474	S	S	*	.	S	Bend	trans	-76.1	19.4	-173.3	-126.3	-10.8	0	0	0	113.8	H189	H189-N191 PolarHBondContact O-N 3.07Å
192	T	29.8	Very low	38.5	Very low	87 Å²	87	93.7 Å²	93.7	53%	0.534	49%	0.485	S	S	.	.	S	Bend	trans	-108	136.7	161.4	18.1	0	0	0	0	106.9	G190 T194	G190-T192 PolarHBondContact O-N 2.82Å; T192-T194 PolarHBondContact O-N 2.89Å; T192-T194 PolarHBondContact O-OG1 3.39Å; T192-T194 VanDerWaalsContact O-OG1 3.13Å; T192-T194 PolarHBondContact OG1-OG1 3.02Å
193	T	30.4	Very low	36.8	Very low	148 Å²	148	94.2 Å²	94.2	91%	0.908	50%	0.501	S	S	*	.			trans	-64.5	63.9	164	49.4	0	0	0	0	110.1	F195	T193-F195 VanDerWaalsContact C-N 3.31Å; T193-F195 PolarHBondContact O-N 3.42Å
194	T	28.4	Very low	35.5	Very low	63 Å²	63	92.5 Å²	92.5	39%	0.387	51%	0.512	S	S	.	.			trans	-92	73.7	166.9	23	0	0	0	0	106.8	T192 Y196	T192-T194 PolarHBondContact O-N 2.89Å; T192-T194 PolarHBondContact O-OG1 3.39Å; T192-T194 VanDerWaalsContact O-OG1 3.13Å; T192-T194 PolarHBondContact OG1-OG1 3.02Å; T194-Y196 VanDerWaalsContact O-CD2 3.24Å; T194-Y196 WeakPolarHBondContact O-CD2 3.26Å; T194-Y196 PolarHBondContact O-N 3.27Å
195	F	30.5	Very low	34.4	Very low	93 Å²	93	88.9 Å²	88.9	41%	0.408	51%	0.51	S	S	.	.	S	Bend		60.9	-10	123.4	-135.3	-86.7	0	0	0	120	T193 D588 F589	T193-F195 VanDerWaalsContact C-N 3.31Å; T193-F195 PolarHBondContact O-N 3.42Å; F195-D588 HydrophobicContact CD1-CB 4.11Å; F195-D588 WeakPolarHBondContact CD1-OD2 3.42Å; F195-D588 HydrophobicContact CE1-CB 4.03Å; F195-D588 WeakPolarHBondContact CE1-OD1 3.37Å; F195-D588 WeakPolarHBondContact CE1-OD2 3.39Å; F195-D588 WeakPolarHBondContact CE2-OD2 3.35Å; F195-D588 WeakPolarHBondContact CZ-OD1 3.33Å; F195-D588 WeakPolarHBondContact CZ-OD2 3.38Å; F195-F589 HydrophobicContact CB-CE2 3.73Å; F195-F589 HydrophobicContact CB-CZ 4.28Å; F195-F589 AromaticContact CD1-CD2 3.72Å; F195-F589 HydrophobicContact CD1-CD2 3.72Å; F195-F589 HydrophobicContact CD1-CE1 4.18Å; F195-F589 AromaticContact CD1-CE2 3.12Å; F195-F589 HydrophobicContact CD1-CE2 3.12Å; F195-F589 AromaticContact CD1-CZ 3.34Å; F195-F589 HydrophobicContact CD1-CZ 3.34Å; F195-F589 HydrophobicContact CE1-CD2 4.44Å; F195-F589 HydrophobicContact CE1-CE1 4.27Å; F195-F589 AromaticContact CE1-CE2 3.97Å; F195-F589 HydrophobicContact CE1-CE2 3.97Å; F195-F589 AromaticContact CE1-CZ 3.82Å; F195-F589 HydrophobicContact CE1-CZ 3.82Å; F195-F589 AromaticContact CG-CE2 3.85Å; F195-F589 HydrophobicContact CG-CE2 3.85Å; F195-F589 HydrophobicContact CG-CZ 4.13Å; F195-F589 VanDerWaalsContact O-CD2 3.31Å; F195-F589 WeakPolarHBondContact O-CD2 3.06Å; F195-F589 WeakPolarHBondContact O-CE2 3.25Å
196	Y	34.8	Very low	33.3	Very low	139 Å²	139	97.8 Å²	97.8	55%	0.545	55%	0.547	S	S	.	.	S	Bend	trans	-94.2	-5.7	175.5	-58.1	-73.3	0	0	0	112.9	T194 H198 F589	T194-Y196 VanDerWaalsContact O-CD2 3.24Å; T194-Y196 WeakPolarHBondContact O-CD2 3.26Å; T194-Y196 PolarHBondContact O-N 3.27Å; Y196-H198 VanDerWaalsContact C-N 3.34Å; Y196-F589 AromaticContact CD1-CD2 3.48Å; Y196-F589 HydrophobicContact CD1-CD2 3.48Å; Y196-F589 VanDerWaalsContact CD1-CD2 3.48Å; Y196-F589 AromaticContact CD1-CE2 3.6Å; Y196-F589 HydrophobicContact CD1-CE2 3.6Å; Y196-F589 HydrophobicContact CD1-CG 4.37Å; Y196-F589 AromaticContact CE1-CD2 3.53Å; Y196-F589 HydrophobicContact CE1-CD2 3.53Å; Y196-F589 AromaticContact CE1-CE2 3.34Å; Y196-F589 HydrophobicContact CE1-CE2 3.34Å; Y196-F589 HydrophobicContact CE1-CG 4.21Å; Y196-F589 HydrophobicContact CE1-CZ 4.03Å; Y196-F589 HydrophobicContact CE2-CE2 4.44Å; Y196-F589 HydrophobicContact CG-CD2 4.35Å; Y196-F589 HydrophobicContact CG-CE2 4.25Å; Y196-F589 AromaticContact CZ-CE2 3.81Å
197	D	30.8	Very low	31.9	Very low	104 Å²	104	105 Å²	105	56%	0.556	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	18.1	177.9	-147.6	4.8	0	0	0	112.9	H189	H189-D197 IonicContact CD2-OD1 3.61Å; H189-D197 IonicContact CD2-OD2 3.95Å
198	H	31.1	Very low	31.2	Very low	127 Å²	127	112.5 Å²	112.5	59%	0.588	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	24.9	168.8	-70.3	-22.9	0	0	0	112.6	Y196 A200 D588	Y196-H198 VanDerWaalsContact C-N 3.34Å; H198-A200 PolarHBondContact O-N 2.79Å; H198-D588 HydrophobicContact CB-CB 3.88Å; H198-D588 IonicContact CD2-OD2 2.67Å
199	G	29.7	Very low	30.2	Very low	47 Å²	47	114.4 Å²	114.4	49%	0.485	64%	0.641	S	S	.	*	S	Bend	trans	-64.1	105.1	143.1	0	0	0	0	0	106.7	R201	G199-R201 PolarHBondContact O-N 3.27Å; G199-R201 VanDerWaalsContact O-N 3.17Å
200	A	28.3	Very low	29.4	Very low	61 Å²	61	115.4 Å²	115.4	50%	0.504	66%	0.657	S	S	.	*			trans	-47.1	123.5	-169.1	0	0	0	0	0	112.2	H198 P202	H198-A200 PolarHBondContact O-N 2.79Å; A200-P202 WeakPolarHBondContact O-CD 3.41Å
201	R	27	Very low	29.2	Very low	207 Å²	207	122.5 Å²	122.5	78%	0.781	69%	0.689	S	S	*	*			trans	-42.6	122.4	157.6	-69.6	174.1	170.2	157.3	-1.5	108.3	G199 S203	G199-R201 PolarHBondContact O-N 3.27Å; G199-R201 VanDerWaalsContact O-N 3.17Å; R201-S203 PolarHBondContact O-N 3.28Å
202	P	30.4	Very low	29	Very low	111 Å²	111	120.3 Å²	120.3	72%	0.721	68%	0.682	S	S	*	*			trans	-75.5	42.7	163	32.2	-31.6	0	0	0	109.9	A200 G204	A200-P202 WeakPolarHBondContact O-CD 3.41Å; P202-G204 PolarHBondContact O-N 2.02Å
203	S	25.8	Very low	29.1	Very low	87 Å²	87	121 Å²	121	61%	0.608	69%	0.69	S	S	*	*			trans	-99.1	92.1	179.3	-59.7	0	0	0	0	108.3	R201	R201-S203 PolarHBondContact O-N 3.28Å
204	G	27.6	Very low	28.9	Very low	67 Å²	67	125.4 Å²	125.4	69%	0.691	69%	0.69	S	S	*	*	S	Bend	trans	108.2	64.1	155.6	0	0	0	0	0	117.1	P202	P202-G204 PolarHBondContact O-N 2.02Å
205	L	27.1	Very low	28.9	Very low	163 Å²	163	127.4 Å²	127.4	85%	0.853	71%	0.713	S	S	*	*			trans	-169.7	29.1	132	-133.1	94	0	0	0	115.1	Q207	L205-Q207 VanDerWaalsContact C-N 3.3Å; L205-Q207 PolarHBondContact O-N 3.07Å
206	F	33	Very low	29	Very low	200 Å²	200	130.6 Å²	130.6	88%	0.877	73%	0.729	S	S	*	*			trans	-98.2	54.9	168.4	-62.1	-69.9	0	0	0	110.6
207	Q	24.8	Very low	28.7	Very low	181 Å²	181	130.6 Å²	130.6	85%	0.846	74%	0.743	S	S	*	*			trans	-99	105.8	170	-160.3	147.3	3.3	0	0	109.2	L205	L205-Q207 VanDerWaalsContact C-N 3.3Å; L205-Q207 PolarHBondContact O-N 3.07Å
208	L	33.8	Very low	28.6	Very low	169 Å²	169	135.2 Å²	135.2	89%	0.885	75%	0.753	S	S	*	*			trans	48.8	95.9	153.2	-108.4	70.7	0	0	0	118.4
209	G	22.8	Very low	28.6	Very low	74 Å²	74	135.8 Å²	135.8	76%	0.763	76%	0.761	S	S	*	*			trans	-130.4	83.4	150	0	0	0	0	0	109.8	L211	G209-L211 PolarHBondContact O-N 3.35Å
210	S	30.3	Very low	29	Very low	101 Å²	101	138.5 Å²	138.5	71%	0.706	76%	0.76	S	S	*	*			trans	26.6	81.9	161.3	-171.2	0	0	0	0	118.1
211	L	28	Very low	29.6	Very low	173 Å²	173	139.9 Å²	139.9	91%	0.906	76%	0.755	S	S	*	*			trans	-122.6	78.4	148.9	-73.3	174.2	0	0	0	107.6	G209 S213	G209-L211 PolarHBondContact O-N 3.35Å; L211-S213 PolarHBondContact O-N 2.81Å
212	T	25.1	Very low	30.6	Very low	125 Å²	125	133.7 Å²	133.7	77%	0.767	75%	0.748	S	S	*	*			trans	-55.8	121.6	168.3	44	0	0	0	0	109.8
213	S	31.9	Very low	31.7	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	75%	0.745	S	S	*	*	S	Bend	trans	55.1	88.5	159.1	-169.6	0	0	0	0	117.6	L211	L211-S213 PolarHBondContact O-N 2.81Å
214	R	26.7	Very low	33.4	Very low	242 Å²	242	134 Å²	134	91%	0.913	73%	0.733	S	S	*	*			trans	-142.8	23.7	151.2	-95.4	-174.5	-168.1	170.6	3.7	113.2	Q216	R214-Q216 VanDerWaalsContact C-N 3.28Å
215	A	28.6	Very low	36	Very low	105 Å²	105	132.1 Å²	132.1	87%	0.868	71%	0.705	S	S	*	*	S	Bend	trans	-89.9	15.1	173.7	0	0	0	0	0	113.2
216	Q	31.2	Very low	38.9	Very low	159 Å²	159	124.7 Å²	124.7	74%	0.743	67%	0.666	S	S	*	*	S	Bend	trans	-123.8	126.8	171.1	-80.7	176.9	-18.6	0	0	108.8	R214	R214-Q216 VanDerWaalsContact C-N 3.28Å
217	T	29.7	Very low	41.7	Very low	139 Å²	139	115.1 Å²	115.1	85%	0.853	62%	0.624	S	S	*	*			trans	70.6	73.1	171.4	66.3	0	0	0	0	116.7
218	R	28	Very low	44.9	Very low	201 Å²	201	107 Å²	107	76%	0.758	59%	0.586	S	S	*	*			trans	-122.2	95.1	141.4	-89.5	-172.4	169.6	-179.5	-4.4	108.4	H220	R218-H220 PolarHBondContact O-N 3.28Å
219	D	31.1	Very low	47.8	Very low	140 Å²	140	99.1 Å²	99.1	75%	0.749	55%	0.545	S	S	*	.			trans	-68.9	62.7	167.8	-162.7	12.7	0	0	0	109.1	K221	D219-K221 PolarHBondContact O-N 2.86Å; D219-K221 VanDerWaalsContact O-N 3.1Å
220	H	38	Very low	51.3	Low	103 Å²	103	95.6 Å²	95.6	48%	0.477	51%	0.509	S	S	.	.			trans	-76.5	84.8	162.2	-78.6	-59.1	0	0	0	105.9	R218 A222	R218-H220 PolarHBondContact O-N 3.28Å; H220-A222 PolarHBondContact O-N 2.67Å
221	K	41.8	Very low	54.5	Low	91 Å²	91	91 Å²	91	40%	0.396	48%	0.476	S	S	.	.			trans	-56.7	91.7	163.9	-82.4	-167.6	174.5	-165.2	0	107.5	D219 E473	D219-K221 PolarHBondContact O-N 2.86Å; D219-K221 VanDerWaalsContact O-N 3.1Å; K221-E473 IonicContact NZ-OE1 3.83Å; K221-E473 PolarHBondContact NZ-OE1 2.86Å
222	A	47.8	Very low	57.9	Low	77 Å²	77	82.7 Å²	82.7	64%	0.636	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-67.8	142.8	-178.9	0	0	0	0	0	109.3	H220	H220-A222 PolarHBondContact O-N 2.67Å
223	K	51.9	Low	61.3	Low	151 Å²	151	76.8 Å²	76.8	66%	0.657	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-52.7	138.1	170.1	-63.6	178.1	177.9	-179.3	0	109	R225	K223-R225 PolarHBondContact O-N 2.81Å; K223-R225 PolarHBondContact O-NH1 2.92Å
224	P	62.1	Low	64.5	Low	54 Å²	54	72 Å²	72	35%	0.351	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-55.5	131.8	178.7	23.6	-32.7	0	0	0	109.4	I422	P224-I422 HydrophobicContact CG-CD1 3.66Å; P224-I422 HydrophobicContact CG-CG1 4.07Å
225	R	82.9	Confident	67.8	Low	27 Å²	27	61 Å²	61	10%	0.102	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.3	176.1	-63.8	-63.6	-168.1	-91.7	6.4	108.5	K223 V267 R268 L411 N415 L419 L420	K223-R225 PolarHBondContact O-N 2.81Å; K223-R225 PolarHBondContact O-NH1 2.92Å; R225-V267 HydrophobicContact CB-CG2 4.18Å; R225-V267 CarbonylContact O-C 3.51Å; R225-V267 WeakPolarHBondContact O-CA 3.31Å; R225-R268 PolarHBondContact O-N 3.49Å; R225-L411 HydrophobicContact CG-CD1 4.14Å; R225-L411 HydrophobicContact CG-CD2 4.15Å; R225-N415 PolarHBondContact NH2-OD1 3.14Å; R225-L419 WeakPolarHBondContact CA-O 3.35Å; R225-L420 VanDerWaalsContact NH1-CD2 3.28Å
226	T	86.7	Confident	71	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.037	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.2	179	-56.5	0	0	0	0	109.3	R268 M270 L419	T226-R268 CarbonylContact C-O 3.51Å; T226-R268 WeakPolarHBondContact CA-O 3.32Å; T226-R268 HydrophobicContact CG2-CB 4.43Å; T226-M270 HydrophobicContact CG2-CB 4.17Å; T226-L419 PolarHBondContact N-O 3.17Å; T226-L419 WeakPolarHBondContact O-CA 3.24Å; T226-L419 WeakPolarHBondContact O-CD2 3.32Å
227	V	92.4	Very high	74.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	113.7	171.5	179.4	0	0	0	0	108.3	L229 V267 R268 M270 D311 N312 M334 M361 L419	V227-L229 PolarHBondContact O-N 2.9Å; V227-V267 HydrophobicContact CG2-CG1 3.82Å; V227-R268 PolarHBondContact N-O 3.24Å; V227-M270 PolarHBondContact O-N 2.95Å; V227-D311 HydrophobicContact CG1-CB 4.44Å; V227-N312 HydrophobicContact CG1-CB 3.96Å; V227-M334 HydrophobicContact CG1-CE 4.13Å; V227-M334 HydrophobicContact CG1-SD 4.29Å; V227-M334 HydrophobicContact CG2-CE 4.21Å; V227-M361 HydrophobicContact CG1-SD 3.96Å; V227-L419 HydrophobicContact CG2-CD2 3.86Å
228	E	91.6	Very high	77.2	Confident	11 Å²	11	47 Å²	47	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	97.7	167.3	-61.4	-177.6	147.6	0	0	108.7	M270 V272 K309 D311 N312	E228-M270 HydrophobicContact CG-CE 4.08Å; E228-V272 HydrophobicContact CB-CG1 3.89Å; E228-V272 HydrophobicContact CB-CG2 4Å; E228-V272 HydrophobicContact CG-CG1 4.16Å; E228-K309 IonicContact OE1-NZ 3.46Å; E228-K309 IonicContact OE2-NZ 2.85Å; E228-K309 PolarHBondContact OE2-NZ 3.09Å; E228-D311 HydrophobicContact CB-CB 4.33Å; E228-D311 VanDerWaalsContact CB-OD2 3.31Å; E228-D311 WeakPolarHBondContact CB-OD2 3.41Å; E228-D311 WeakPolarHBondContact CG-OD2 3.4Å; E228-D311 PolarHBondContact N-OD2 2.88Å; E228-D311 PolarHBondContact O-N 2.79Å; E228-N312 PolarHBondContact O-N 3.39Å
229	L	95.4	Very high	80.4	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128	-176	176.3	64.8	0	0	0	111.7	V227 V231 V269 M270 L271 V272 Q314	V227-L229 PolarHBondContact O-N 2.9Å; L229-V231 HydrophobicContact CD1-CG2 4.45Å; L229-V231 HydrophobicContact CD2-CG2 4.04Å; L229-V231 HydrophobicContact CG-CG2 4.04Å; L229-V269 HydrophobicContact CB-CG1 3.98Å; L229-V269 HydrophobicContact CD2-CG1 3.8Å; L229-V269 HydrophobicContact CG-CG1 4.5Å; L229-M270 PolarHBondContact N-O 2.84Å; L229-L271 HydrophobicContact CD2-CD1 4.48Å; L229-L271 HydrophobicContact CG-CD1 4.39Å; L229-L271 WeakPolarHBondContact O-CA 3.36Å; L229-V272 WeakPolarHBondContact O-CG2 2.92Å; L229-V272 PolarHBondContact O-N 2.9Å; L229-Q314 HydrophobicContact CD1-CB 4.12Å; L229-Q314 HydrophobicContact CD1-CG 3.47Å; L229-Q314 VanDerWaalsContact CD1-CG 3.47Å
230	A	95.9	Very high	83.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138	164	0	0	0	0	0	110.5	G273 L304 H310 N312 A313 Q314	A230-G273 CarbonylContact C-O 3.52Å; A230-G273 WeakPolarHBondContact CA-O 3.04Å; A230-L304 HydrophobicContact CB-CD2 4.15Å; A230-H310 HydrophobicContact CB-CB 3.92Å; A230-N312 PolarHBondContact N-O 2.87Å; A230-A313 HydrophobicContact CB-CB 4.37Å; A230-A313 CarbonylContact O-C 3.54Å; A230-A313 VanDerWaalsContact O-CA 3.24Å; A230-A313 WeakPolarHBondContact O-CA 3.3Å; A230-Q314 PolarHBondContact O-N 2.79Å
231	V	98.1	Very high	86	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.7	177	178.6	0	0	0	0	109.9	L229 V233 V251 L271 G273 L274 H275 Q314 I316	L229-V231 HydrophobicContact CD1-CG2 4.45Å; L229-V231 HydrophobicContact CD2-CG2 4.04Å; L229-V231 HydrophobicContact CG-CG2 4.04Å; V231-V233 HydrophobicContact CG1-CG2 4.19Å; V231-V251 HydrophobicContact CB-CG1 3.85Å; V231-V251 HydrophobicContact CG1-CG1 3.81Å; V231-V251 HydrophobicContact CG1-CG2 3.99Å; V231-V251 HydrophobicContact CG2-CG1 3.98Å; V231-L271 HydrophobicContact CB-CD1 4.26Å; V231-L271 HydrophobicContact CG2-CD1 3.67Å; V231-G273 PolarHBondContact N-O 3.01Å; V231-L274 HydrophobicContact CB-CD1 4.33Å; V231-L274 HydrophobicContact CG1-CD1 4.28Å; V231-L274 CarbonylContact O-C 3.53Å; V231-L274 WeakPolarHBondContact O-CA 3.38Å; V231-H275 PolarHBondContact O-N 3.28Å; V231-Q314 WeakPolarHBondContact CA-O 3Å; V231-I316 HydrophobicContact CG1-CD1 3.67Å; V231-I316 HydrophobicContact CG1-CG1 4.12Å
232	V	98.1	Very high	88.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131	179	-174.2	0	0	0	0	108.6	H275 W277 F296 W299 L304 Q314 F315 I316	V232-H275 CarbonylContact C-O 3.53Å; V232-H275 WeakPolarHBondContact CA-O 3.35Å; V232-H275 HydrophobicContact CG1-CB 4.23Å; V232-H275 HydrophobicContact CG2-CB 4.2Å; V232-W277 HydrophobicContact CG1-CD2 4.45Å; V232-W277 HydrophobicContact CG1-CH2 4.46Å; V232-W277 HydrophobicContact CG1-CZ2 3.79Å; V232-F296 HydrophobicContact CB-CE2 3.89Å; V232-F296 HydrophobicContact CB-CZ 4.42Å; V232-F296 HydrophobicContact CG1-CE2 4.28Å; V232-F296 HydrophobicContact CG2-CE2 3.84Å; V232-F296 HydrophobicContact CG2-CZ 4.19Å; V232-W299 HydrophobicContact CG1-CH2 4.13Å; V232-W299 HydrophobicContact CG1-CZ3 4.1Å; V232-W299 HydrophobicContact CG2-CH2 4.24Å; V232-W299 HydrophobicContact CG2-CZ3 3.88Å; V232-L304 HydrophobicContact CG2-CD2 4.01Å; V232-Q314 PolarHBondContact N-O 2.96Å; V232-F315 HydrophobicContact CB-CD2 3.97Å; V232-F315 HydrophobicContact CG1-CD2 3.88Å; V232-F315 HydrophobicContact CG1-CE2 4.11Å; V232-F315 CarbonylContact O-C 3.58Å; V232-F315 WeakPolarHBondContact O-CA 3.24Å; V232-I316 PolarHBondContact O-N 3.36Å
233	V	98.2	Very high	90.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.9	-173.7	-179.6	0	0	0	0	109.7	V231 E237 V247 V251 L274 H275 W277 I316	V231-V233 HydrophobicContact CG1-CG2 4.19Å; V233-E237 HydrophobicContact CG1-CB 3.55Å; V233-E237 HydrophobicContact CG1-CG 3.45Å; V233-E237 VanDerWaalsContact CG1-CG 3.45Å; V233-V247 HydrophobicContact CB-CG1 4.02Å; V233-V247 HydrophobicContact CG1-CG1 3.81Å; V233-V247 HydrophobicContact CG2-CG1 3.81Å; V233-V251 HydrophobicContact CG2-CG2 3.93Å; V233-L274 HydrophobicContact CG2-CD1 3.92Å; V233-H275 PolarHBondContact N-O 2.96Å; V233-W277 PolarHBondContact O-N 3.4Å; V233-I316 HydrophobicContact CG2-CB 4.4Å
234	D	97.4	Very high	92.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.			trans	-74.7	169.1	-179.5	88.4	-26.9	0	0	0	113.5	T236 E237 Y238 W277 V285 F315 I316 T317 G318	D234-T236 VanDerWaalsContact C-N 3.29Å; D234-T236 PolarHBondContact O-N 2.96Å; D234-T236 PolarHBondContact OD1-N 3.37Å; D234-T236 WeakPolarHBondContact OD2-CB 2.94Å; D234-T236 PolarHBondContact OD2-OG1 3.04Å; D234-E237 PolarHBondContact O-N 3.08Å; D234-E237 WeakPolarHBondContact OD1-CB 3.42Å; D234-E237 PolarHBondContact OD1-N 3.18Å; D234-Y238 PolarHBondContact O-N 2.84Å; D234-W277 HydrophobicContact CB-CE3 4.21Å; D234-V285 HydrophobicContact CB-CG2 4.27Å; D234-F315 HydrophobicContact CB-CE1 4.35Å; D234-F315 HydrophobicContact CB-CE2 4.1Å; D234-F315 HydrophobicContact CB-CZ 3.56Å; D234-I316 PolarHBondContact N-O 2.94Å; D234-T317 VanDerWaalsContact CG-OG1 3.3Å; D234-T317 WeakPolarHBondContact OD1-CA 3.05Å; D234-T317 PolarHBondContact OD2-OG1 3.48Å; D234-G318 PolarHBondContact OD1-N 2.81Å; D234-G318 VanDerWaalsContact OD1-N 3.15Å
235	N	96.4	Very high	93.6	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.053	19%	0.187	C	C	.	.	H	α-helix	trans	-68.1	-31.3	-178.3	-169.5	-108.8	0	0	0	112.3	Y238 K239 W277 S278 D281	N235-Y238 PolarHBondContact O-N 3.37Å; N235-K239 WeakPolarHBondContact O-CB 3.3Å; N235-K239 VanDerWaalsContact O-CG 3.31Å; N235-K239 WeakPolarHBondContact O-CG 3.33Å; N235-K239 PolarHBondContact O-N 3.26Å; N235-K239 WeakPolarHBondContact OD1-CE 3.13Å; N235-K239 PolarHBondContact OD1-NZ 2.94Å; N235-W277 VanDerWaalsContact CA-O 3.24Å; N235-W277 WeakPolarHBondContact CA-O 3.18Å; N235-W277 VanDerWaalsContact CB-O 3.29Å; N235-W277 WeakPolarHBondContact CB-O 3Å; N235-W277 PolarHBondContact ND2-O 3.43Å; N235-S278 VanDerWaalsContact ND2-C 3.3Å; N235-S278 PolarHBondContact ND2-O 3.38Å; N235-D281 WeakPolarHBondContact CB-OD1 3.26Å; N235-D281 PolarHBondContact N-OD1 3.24Å
236	T	96.6	Very high	94	Very high	54 Å²	54	37 Å²	37	33%	0.331	20%	0.195	S	C	.	.	H	α-helix	trans	-63.6	-47.5	176.5	-52	0	0	0	0	110.7	D234 K239 K240 V319	D234-T236 VanDerWaalsContact C-N 3.29Å; D234-T236 PolarHBondContact O-N 2.96Å; D234-T236 PolarHBondContact OD1-N 3.37Å; D234-T236 WeakPolarHBondContact OD2-CB 2.94Å; D234-T236 PolarHBondContact OD2-OG1 3.04Å; T236-K239 PolarHBondContact O-N 3.24Å; T236-K240 PolarHBondContact O-N 3.29Å; T236-V319 HydrophobicContact CG2-CG2 4.24Å
237	E	96	Very high	94.4	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-66.2	-40.8	175.9	-174.3	72.9	170.2	0	0	111.1	V233 D234 K239 K240 Y241 R250 I316 D345	V233-E237 HydrophobicContact CG1-CB 3.55Å; V233-E237 HydrophobicContact CG1-CG 3.45Å; V233-E237 VanDerWaalsContact CG1-CG 3.45Å; D234-E237 PolarHBondContact O-N 3.08Å; D234-E237 WeakPolarHBondContact OD1-CB 3.42Å; D234-E237 PolarHBondContact OD1-N 3.18Å; E237-K239 VanDerWaalsContact C-N 3.33Å; E237-K239 PolarHBondContact O-N 3.32Å; E237-K240 WeakPolarHBondContact O-CB 3.05Å; E237-K240 PolarHBondContact O-N 3.24Å; E237-K240 VanDerWaalsContact O-N 3.16Å; E237-K240 VanDerWaalsContact OE2-CD 3.3Å; E237-K240 WeakPolarHBondContact OE2-CD 3.39Å; E237-K240 IonicContact OE2-NZ 3.59Å; E237-K240 PolarHBondContact OE2-NZ 3.41Å; E237-Y241 HydrophobicContact CG-CD2 4.24Å; E237-Y241 HydrophobicContact CG-CE2 4.36Å; E237-Y241 WeakPolarHBondContact O-CD2 3.33Å; E237-Y241 PolarHBondContact O-N 3.33Å; E237-Y241 WeakPolarHBondContact OE1-CE2 3.08Å; E237-R250 IonicContact OE1-NE 3.22Å; E237-I316 HydrophobicContact CG-CG2 4.26Å; E237-D345 WeakPolarHBondContact OE1-CB 3.4Å; E237-D345 VanDerWaalsContact OE1-CG 3.26Å
238	Y	95.6	Very high	94.4	Very high	50 Å²	50	38.6 Å²	38.6	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-56.5	-46.3	172.3	171.7	-104.3	0	0	0	112	D234 N235 K240 Y241 G242 T244 V247 V276 S278	D234-Y238 PolarHBondContact O-N 2.84Å; N235-Y238 PolarHBondContact O-N 3.37Å; Y238-K240 VanDerWaalsContact C-N 3.32Å; Y238-K240 PolarHBondContact O-N 3.39Å; Y238-Y241 PolarHBondContact O-N 3.2Å; Y238-G242 PolarHBondContact O-N 3.48Å; Y238-T244 HydrophobicContact CD2-CG2 4.49Å; Y238-T244 HydrophobicContact CE2-CG2 3.82Å; Y238-V247 HydrophobicContact CD2-CG2 4.3Å; Y238-V276 HydrophobicContact CD2-CG1 3.7Å; Y238-V276 HydrophobicContact CG-CG1 4.22Å; Y238-S278 WeakPolarHBondContact CD1-O 3.18Å; Y238-S278 VanDerWaalsContact CE1-O 3.31Å; Y238-S278 WeakPolarHBondContact CE1-O 3.36Å
239	K	95	Very high	94.3	Very high	149 Å²	149	40 Å²	40	65%	0.648	22%	0.215	S	C	*	.	H	α-helix	trans	-63.9	-35.4	177	-77.5	167.4	172.6	157.7	0	112.7	N235 T236 E237 Y241	N235-K239 WeakPolarHBondContact O-CB 3.3Å; N235-K239 VanDerWaalsContact O-CG 3.31Å; N235-K239 WeakPolarHBondContact O-CG 3.33Å; N235-K239 PolarHBondContact O-N 3.26Å; N235-K239 WeakPolarHBondContact OD1-CE 3.13Å; N235-K239 PolarHBondContact OD1-NZ 2.94Å; T236-K239 PolarHBondContact O-N 3.24Å; E237-K239 VanDerWaalsContact C-N 3.33Å; E237-K239 PolarHBondContact O-N 3.32Å; K239-Y241 VanDerWaalsContact C-N 3.32Å; K239-Y241 PolarHBondContact O-N 2.99Å
240	K	93.9	Very high	94.2	Very high	95 Å²	95	40.6 Å²	40.6	41%	0.413	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-38.2	176.5	-177.1	-174.1	179.9	-173.3	0	112.1	T236 E237 Y238 D345	T236-K240 PolarHBondContact O-N 3.29Å; E237-K240 WeakPolarHBondContact O-CB 3.05Å; E237-K240 PolarHBondContact O-N 3.24Å; E237-K240 VanDerWaalsContact O-N 3.16Å; E237-K240 VanDerWaalsContact OE2-CD 3.3Å; E237-K240 WeakPolarHBondContact OE2-CD 3.39Å; E237-K240 IonicContact OE2-NZ 3.59Å; E237-K240 PolarHBondContact OE2-NZ 3.41Å; Y238-K240 VanDerWaalsContact C-N 3.32Å; Y238-K240 PolarHBondContact O-N 3.39Å; K240-D345 PolarHBondContact NZ-O 3.22Å; K240-D345 IonicContact NZ-OD2 3.31Å; K240-D345 PolarHBondContact NZ-OD2 2.93Å
241	Y	92.5	Very high	94.2	Very high	61 Å²	61	40.9 Å²	40.9	24%	0.239	22%	0.219	C	C	.	.	H	α-helix	trans	-98.8	-12.9	-179.2	-71.2	-74.9	0	0	0	114.6	E237 Y238 K239 S243 R250 D345	E237-Y241 HydrophobicContact CG-CD2 4.24Å; E237-Y241 HydrophobicContact CG-CE2 4.36Å; E237-Y241 WeakPolarHBondContact O-CD2 3.33Å; E237-Y241 PolarHBondContact O-N 3.33Å; E237-Y241 WeakPolarHBondContact OE1-CE2 3.08Å; Y238-Y241 PolarHBondContact O-N 3.2Å; K239-Y241 VanDerWaalsContact C-N 3.32Å; K239-Y241 PolarHBondContact O-N 2.99Å; Y241-S243 PolarHBondContact O-N 3.17Å; Y241-R250 VanDerWaalsContact CZ-NE 3.31Å; Y241-R250 PolarHBondContact OH-NE 2.85Å; Y241-R250 VanDerWaalsContact OH-NE 3.09Å; Y241-R250 PolarHBondContact OH-NH1 3.24Å; Y241-R250 PolarHBondContact OH-NH2 2.95Å; Y241-D345 PolarHBondContact OH-OD2 3.39Å
242	G	91.5	Very high	93.9	Very high	54 Å²	54	41.2 Å²	41.2	56%	0.557	22%	0.221	S	C	*	.			trans	75.7	-14.2	168	0	0	0	0	0	116.5	Y238	Y238-G242 PolarHBondContact O-N 3.48Å
243	S	91.6	Very high	93.6	Very high	48 Å²	48	41.8 Å²	41.8	34%	0.336	22%	0.224	S	C	.	.	S	Bend	trans	-151.4	154	177.7	70.1	0	0	0	0	113.1	Y241 K245 A246 V247	Y241-S243 PolarHBondContact O-N 3.17Å; S243-K245 VanDerWaalsContact C-N 3.31Å; S243-K245 PolarHBondContact O-N 2.81Å; S243-A246 PolarHBondContact O-N 3.28Å; S243-A246 VanDerWaalsContact OG-CB 3.28Å; S243-A246 WeakPolarHBondContact OG-CB 3.38Å; S243-A246 PolarHBondContact OG-N 2.78Å; S243-V247 PolarHBondContact O-N 3.29Å; S243-V247 VanDerWaalsContact O-N 3.13Å
244	T	90.4	Very high	93.5	Very high	29 Å²	29	41.9 Å²	41.9	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-39.3	177.6	50.8	0	0	0	0	111.6	Y98 Y238 A246 V247 E248	Y98-T244 HydrophobicContact CD1-CG2 4.34Å; Y98-T244 HydrophobicContact CD2-CG2 4.03Å; Y98-T244 HydrophobicContact CG-CG2 3.84Å; Y238-T244 HydrophobicContact CD2-CG2 4.49Å; Y238-T244 HydrophobicContact CE2-CG2 3.82Å; T244-A246 VanDerWaalsContact C-N 3.35Å; T244-A246 PolarHBondContact O-N 2.85Å; T244-V247 PolarHBondContact O-N 3.14Å; T244-E248 VanDerWaalsContact O-CB 3.31Å; T244-E248 WeakPolarHBondContact O-CB 3.49Å; T244-E248 PolarHBondContact O-N 2.99Å
245	K	89.7	Confident	93.4	Very high	166 Å²	166	42 Å²	42	72%	0.722	23%	0.225	S	C	*	.	H	α-helix	trans	-62.1	-38.6	175.5	-68.4	-173.2	177.2	-176.6	0	113	S243 A249	S243-K245 VanDerWaalsContact C-N 3.31Å; S243-K245 PolarHBondContact O-N 2.81Å; K245-A249 WeakPolarHBondContact O-CB 3.38Å; K245-A249 PolarHBondContact O-N 3.26Å
246	A	91.4	Very high	93.2	Very high	34 Å²	34	41.5 Å²	41.5	28%	0.281	22%	0.223	S	C	.	.	H	α-helix	trans	-69.3	-40.5	177.6	0	0	0	0	0	111.8	S243 T244 R250	S243-A246 PolarHBondContact O-N 3.28Å; S243-A246 VanDerWaalsContact OG-CB 3.28Å; S243-A246 WeakPolarHBondContact OG-CB 3.38Å; S243-A246 PolarHBondContact OG-N 2.78Å; T244-A246 VanDerWaalsContact C-N 3.35Å; T244-A246 PolarHBondContact O-N 2.85Å; A246-R250 WeakPolarHBondContact O-CB 3.45Å; A246-R250 PolarHBondContact O-N 3.41Å
247	V	94.3	Very high	93	Very high	3 Å²	3	39 Å²	39	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-46.2	173.4	173.4	0	0	0	0	110.8	V233 Y238 S243 T244 A249 R250 V251 V276	V233-V247 HydrophobicContact CB-CG1 4.02Å; V233-V247 HydrophobicContact CG1-CG1 3.81Å; V233-V247 HydrophobicContact CG2-CG1 3.81Å; Y238-V247 HydrophobicContact CD2-CG2 4.3Å; S243-V247 PolarHBondContact O-N 3.29Å; S243-V247 VanDerWaalsContact O-N 3.13Å; T244-V247 PolarHBondContact O-N 3.14Å; V247-A249 PolarHBondContact O-N 2.99Å; V247-R250 WeakPolarHBondContact O-CB 3.36Å; V247-R250 PolarHBondContact O-N 3.24Å; V247-V251 HydrophobicContact CG1-CG2 4.33Å; V247-V251 WeakPolarHBondContact O-CG2 3.48Å; V247-V251 PolarHBondContact O-N 3.4Å; V247-V276 HydrophobicContact CG1-CG1 4.28Å; V247-V276 HydrophobicContact CG1-CG2 3.85Å
248	E	92.6	Very high	92.9	Very high	35 Å²	35	38.9 Å²	38.9	16%	0.164	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-48.3	177.2	-177.2	-174	171	0	0	111.9	V96 H112 T244 R250 V251 L252 L274	V96-E248 HydrophobicContact CG2-CG 4.16Å; H112-E248 IonicContact CE1-OE1 3.25Å; H112-E248 PolarHBondContact CE1-OE1 2.88Å; H112-E248 VanDerWaalsContact CE1-OE1 3.31Å; H112-E248 IonicContact NE2-OE1 3.77Å; T244-E248 VanDerWaalsContact O-CB 3.31Å; T244-E248 WeakPolarHBondContact O-CB 3.49Å; T244-E248 PolarHBondContact O-N 2.99Å; E248-R250 VanDerWaalsContact C-N 3.32Å; E248-R250 PolarHBondContact O-N 3.23Å; E248-V251 PolarHBondContact O-N 3.23Å; E248-L252 HydrophobicContact CG-CD1 4.07Å; E248-L252 WeakPolarHBondContact O-CG 3.41Å; E248-L252 PolarHBondContact O-N 3.13Å; E248-L274 HydrophobicContact CB-CD2 3.9Å; E248-L274 HydrophobicContact CG-CD2 4.07Å
249	A	90.6	Very high	92.8	Very high	40 Å²	40	36.5 Å²	36.5	33%	0.331	20%	0.197	S	C	.	.	H	α-helix	trans	-60	-42.5	175.8	0	0	0	0	0	111.9	Y117 K245 V247 L252 E253	Y117-A249 PolarHBondContact OH-O 3.42Å; K245-A249 WeakPolarHBondContact O-CB 3.38Å; K245-A249 PolarHBondContact O-N 3.26Å; V247-A249 PolarHBondContact O-N 2.99Å; A249-L252 PolarHBondContact O-N 3.14Å; A249-E253 WeakPolarHBondContact O-CB 3.17Å; A249-E253 PolarHBondContact O-N 3.38Å
250	R	92.4	Very high	92.5	Very high	17 Å²	17	30.4 Å²	30.4	6%	0.064	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-46.4	176.1	-177.3	174.4	-172.3	72.4	3.3	111.7	E237 Y241 A246 V247 E248 E253 V254 D345 N347 T348	E237-R250 IonicContact OE1-NE 3.22Å; Y241-R250 VanDerWaalsContact CZ-NE 3.31Å; Y241-R250 PolarHBondContact OH-NE 2.85Å; Y241-R250 VanDerWaalsContact OH-NE 3.09Å; Y241-R250 PolarHBondContact OH-NH1 3.24Å; Y241-R250 PolarHBondContact OH-NH2 2.95Å; A246-R250 WeakPolarHBondContact O-CB 3.45Å; A246-R250 PolarHBondContact O-N 3.41Å; V247-R250 WeakPolarHBondContact O-CB 3.36Å; V247-R250 PolarHBondContact O-N 3.24Å; E248-R250 VanDerWaalsContact C-N 3.32Å; E248-R250 PolarHBondContact O-N 3.23Å; R250-E253 WeakPolarHBondContact O-CB 3.45Å; R250-E253 PolarHBondContact O-N 3.37Å; R250-V254 VanDerWaalsContact O-CG2 3.24Å; R250-V254 WeakPolarHBondContact O-CG2 3.46Å; R250-V254 PolarHBondContact O-N 3.01Å; R250-D345 IonicContact CZ-OD1 2.91Å; R250-D345 IonicContact CZ-OD2 3.59Å; R250-D345 VanDerWaalsContact CZ-OD2 3.25Å; R250-D345 IonicContact NE-OD1 3.2Å; R250-D345 IonicContact NE-OD2 3.93Å; R250-D345 PolarHBondContact NE-OD2 3.12Å; R250-D345 VanDerWaalsContact NE-OD2 3.11Å; R250-D345 IonicContact NH2-OD1 3.37Å; R250-D345 PolarHBondContact NH2-OD1 3.2Å; R250-D345 IonicContact NH2-OD2 3.88Å; R250-D345 PolarHBondContact NH2-OD2 2.87Å; R250-N347 PolarHBondContact NH2-O 2.95Å; R250-T348 PolarHBondContact NH1-O 3.18Å
251	V	95.1	Very high	92.2	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-39.6	-179	170.2	0	0	0	0	111.6	V231 V233 V247 E248 E253 V254 A255 L271 L274 I316	V231-V251 HydrophobicContact CB-CG1 3.85Å; V231-V251 HydrophobicContact CG1-CG1 3.81Å; V231-V251 HydrophobicContact CG1-CG2 3.99Å; V231-V251 HydrophobicContact CG2-CG1 3.98Å; V233-V251 HydrophobicContact CG2-CG2 3.93Å; V247-V251 HydrophobicContact CG1-CG2 4.33Å; V247-V251 WeakPolarHBondContact O-CG2 3.48Å; V247-V251 PolarHBondContact O-N 3.4Å; E248-V251 PolarHBondContact O-N 3.23Å; V251-E253 VanDerWaalsContact C-N 3.34Å; V251-V254 WeakPolarHBondContact O-CB 3.48Å; V251-V254 PolarHBondContact O-N 3.44Å; V251-A255 WeakPolarHBondContact O-CB 3.5Å; V251-A255 PolarHBondContact O-N 3.01Å; V251-L271 HydrophobicContact CG1-CD1 4.38Å; V251-L271 HydrophobicContact CG1-CD2 4.1Å; V251-L274 HydrophobicContact CB-CD1 4.34Å; V251-L274 HydrophobicContact CB-CD2 4.3Å; V251-L274 HydrophobicContact CG1-CD1 4.18Å; V251-L274 HydrophobicContact CG2-CD1 3.93Å; V251-L274 HydrophobicContact CG2-CD2 4.48Å; V251-I316 HydrophobicContact CG2-CD1 4.36Å
252	L	93.1	Very high	92.1	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.052	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-39.4	175.4	-72.9	165.5	0	0	0	111.9	V90 Y117 E248 A249 A255 N256 L271	V90-L252 HydrophobicContact CG2-CD2 3.57Å; Y117-L252 HydrophobicContact CD2-CB 3.97Å; Y117-L252 HydrophobicContact CE1-CB 4.24Å; Y117-L252 HydrophobicContact CE2-CB 3.29Å; Y117-L252 HydrophobicContact CE2-CD1 3.83Å; Y117-L252 HydrophobicContact CE2-CG 4.1Å; Y117-L252 VanDerWaalsContact CZ-CB 3.44Å; E248-L252 HydrophobicContact CG-CD1 4.07Å; E248-L252 WeakPolarHBondContact O-CG 3.41Å; E248-L252 PolarHBondContact O-N 3.13Å; A249-L252 PolarHBondContact O-N 3.14Å; L252-A255 PolarHBondContact O-N 3.45Å; L252-N256 VanDerWaalsContact O-CB 3.31Å; L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 3.27Å; L252-L271 HydrophobicContact CD2-CD2 3.75Å; L252-L271 HydrophobicContact CG-CD2 4.45Å
253	E	92.3	Very high	91.8	Very high	12 Å²	12	23.5 Å²	23.5	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-44.8	173.3	-166.7	-176.6	159.4	0	0	111.3	Y117 K139 A249 R250 V251 N256 H257 S350	Y117-E253 HydrophobicContact CE1-CB 3.85Å; Y117-E253 HydrophobicContact CE1-CG 4.4Å; K139-E253 WeakPolarHBondContact CD-OE1 2.92Å; K139-E253 WeakPolarHBondContact CE-OE1 3.47Å; K139-E253 WeakPolarHBondContact CE-OE2 3.13Å; K139-E253 IonicContact NZ-OE1 3.45Å; K139-E253 PolarHBondContact NZ-OE1 3.27Å; K139-E253 IonicContact NZ-OE2 3.17Å; K139-E253 PolarHBondContact NZ-OE2 3.16Å; A249-E253 WeakPolarHBondContact O-CB 3.17Å; A249-E253 PolarHBondContact O-N 3.38Å; R250-E253 WeakPolarHBondContact O-CB 3.45Å; R250-E253 PolarHBondContact O-N 3.37Å; V251-E253 VanDerWaalsContact C-N 3.34Å; E253-N256 PolarHBondContact O-N 2.74Å; E253-H257 PolarHBondContact O-CD2 3.32Å; E253-H257 VanDerWaalsContact O-CD2 3.23Å; E253-H257 PolarHBondContact O-N 2.94Å; E253-H257 VanDerWaalsContact O-N 3.13Å; E253-H257 IonicContact OE1-NE2 3.76Å; E253-S350 WeakPolarHBondContact OE1-CB 3.46Å; E253-S350 PolarHBondContact OE1-OG 2.63Å
254	V	94.7	Very high	91.4	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-50.2	176.5	168.6	0	0	0	0	111.4	R250 V251 N256 H257 V258 V353 A354 I357	R250-V254 VanDerWaalsContact O-CG2 3.24Å; R250-V254 WeakPolarHBondContact O-CG2 3.46Å; R250-V254 PolarHBondContact O-N 3.01Å; V251-V254 WeakPolarHBondContact O-CB 3.48Å; V251-V254 PolarHBondContact O-N 3.44Å; V254-N256 VanDerWaalsContact C-N 3.28Å; V254-N256 PolarHBondContact O-N 2.94Å; V254-H257 PolarHBondContact O-N 3.19Å; V254-H257 VanDerWaalsContact O-N 3.14Å; V254-V258 HydrophobicContact CG1-CG2 4.44Å; V254-V258 WeakPolarHBondContact O-CG2 3.47Å; V254-V258 PolarHBondContact O-N 3.49Å; V254-V353 HydrophobicContact CB-CG1 4.46Å; V254-V353 HydrophobicContact CG1-CG1 4.19Å; V254-V353 HydrophobicContact CG2-CG1 3.37Å; V254-A354 HydrophobicContact CG1-CB 4.05Å; V254-I357 HydrophobicContact CG1-CD1 3.57Å
255	A	94.9	Very high	91	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-39.6	178	0	0	0	0	0	111.5	L89 V251 L252 H257 V258 D259 L271	L89-A255 HydrophobicContact CD1-CB 3.83Å; V251-A255 WeakPolarHBondContact O-CB 3.5Å; V251-A255 PolarHBondContact O-N 3.01Å; L252-A255 PolarHBondContact O-N 3.45Å; A255-H257 VanDerWaalsContact C-N 3.29Å; A255-H257 PolarHBondContact O-N 3.4Å; A255-V258 PolarHBondContact O-N 3.5Å; A255-D259 PolarHBondContact O-N 3.35Å; A255-L271 HydrophobicContact CB-CB 4.37Å; A255-L271 HydrophobicContact CB-CD2 4.46Å
256	N	93.6	Very high	90.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-37	177.7	-170.4	48.8	0	0	0	112.3	N86 L89 Y117 Y118 H119 S131 L252 E253 V254 K260	N86-N256 PolarHBondContact ND2-OD1 3.4Å; N86-N256 VanDerWaalsContact ND2-OD1 3.16Å; L89-N256 HydrophobicContact CD1-CB 4.1Å; L89-N256 HydrophobicContact CD2-CB 3.88Å; Y117-N256 HydrophobicContact CD1-CB 4.27Å; Y117-N256 HydrophobicContact CG-CB 4.4Å; Y118-N256 PolarHBondContact O-ND2 2.85Å; H119-N256 PolarHBondContact CD2-OD1 2.75Å; H119-N256 VanDerWaalsContact CD2-OD1 3.28Å; H119-N256 PolarHBondContact NE2-O 3.42Å; H119-N256 PolarHBondContact NE2-OD1 3.18Å; S131-N256 PolarHBondContact OG-ND2 3.42Å; S131-N256 PolarHBondContact OG-O 3.46Å; L252-N256 VanDerWaalsContact O-CB 3.31Å; L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 3.27Å; E253-N256 PolarHBondContact O-N 2.74Å; V254-N256 VanDerWaalsContact C-N 3.28Å; V254-N256 PolarHBondContact O-N 2.94Å; N256-K260 PolarHBondContact O-N 3.24Å
257	H	91.9	Very high	90.3	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	12%	0.118	C	C	.	.	H	α-helix	trans	-71.7	-42.6	174.5	-66.2	-31.6	0	0	0	112.1	S131 F141 E253 V254 A255 K260 L261 S350 A354	S131-H257 VanDerWaalsContact CB-ND1 3.26Å; S131-H257 WeakPolarHBondContact CB-ND1 3.27Å; S131-H257 PolarHBondContact O-CE1 3.35Å; S131-H257 PolarHBondContact OG-CE1 3.14Å; S131-H257 PolarHBondContact OG-ND1 3.14Å; F141-H257 AromaticContact CD1-CE1 3.93Å; F141-H257 AromaticContact CD1-ND1 3.76Å; F141-H257 AromaticContact CE1-ND1 3.64Å; E253-H257 PolarHBondContact O-CD2 3.32Å; E253-H257 VanDerWaalsContact O-CD2 3.23Å; E253-H257 PolarHBondContact O-N 2.94Å; E253-H257 VanDerWaalsContact O-N 3.13Å; E253-H257 IonicContact OE1-NE2 3.76Å; V254-H257 PolarHBondContact O-N 3.19Å; V254-H257 VanDerWaalsContact O-N 3.14Å; A255-H257 VanDerWaalsContact C-N 3.29Å; A255-H257 PolarHBondContact O-N 3.4Å; H257-K260 PolarHBondContact O-N 2.69Å; H257-L261 WeakPolarHBondContact O-CG 3.31Å; H257-L261 PolarHBondContact O-N 3.11Å; H257-S350 PolarHBondContact NE2-OG 3.16Å; H257-A354 HydrophobicContact CB-CB 3.67Å
258	V	94.4	Very high	90	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.5	-48	177.9	175.1	0	0	0	0	110.9	V254 A255 K260 L261 Y262 V269 A354 I357 M361	V254-V258 HydrophobicContact CG1-CG2 4.44Å; V254-V258 WeakPolarHBondContact O-CG2 3.47Å; V254-V258 PolarHBondContact O-N 3.49Å; A255-V258 PolarHBondContact O-N 3.5Å; V258-K260 VanDerWaalsContact C-N 3.28Å; V258-K260 PolarHBondContact O-N 2.81Å; V258-L261 PolarHBondContact O-N 3.23Å; V258-L261 VanDerWaalsContact O-N 3.08Å; V258-Y262 HydrophobicContact CG1-CD2 4.02Å; V258-Y262 HydrophobicContact CG1-CE2 4.14Å; V258-Y262 WeakPolarHBondContact O-CD2 3.19Å; V258-Y262 PolarHBondContact O-N 3.34Å; V258-V269 HydrophobicContact CG1-CB 4.45Å; V258-V269 HydrophobicContact CG1-CG1 4.13Å; V258-V269 HydrophobicContact CG1-CG2 4.18Å; V258-A354 HydrophobicContact CG2-CB 4.01Å; V258-A354 WeakPolarHBondContact CG2-O 3.39Å; V258-I357 HydrophobicContact CG1-CG2 4.28Å; V258-I357 HydrophobicContact CG2-CB 4.08Å; V258-I357 HydrophobicContact CG2-CG2 3.8Å; V258-M361 HydrophobicContact CG1-CE 3.62Å
259	D	92.5	Very high	90	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.1	-40.9	176.5	-176.7	46.7	0	0	0	111.6	N86 H119 A255 L261 Y262 R263 R268 V269	N86-D259 PolarHBondContact ND2-OD2 3.23Å; H119-D259 IonicContact CE1-OD2 2.75Å; H119-D259 PolarHBondContact CE1-OD2 3.46Å; A255-D259 PolarHBondContact O-N 3.35Å; D259-L261 VanDerWaalsContact C-N 3.27Å; D259-L261 PolarHBondContact O-N 2.66Å; D259-Y262 PolarHBondContact O-N 3.05Å; D259-R263 PolarHBondContact O-N 3.29Å; D259-R268 IonicContact OD1-NE 2.84Å; D259-R268 PolarHBondContact OD1-NE 2.85Å; D259-R268 IonicContact OD2-NE 3.94Å; D259-R268 IonicContact OD2-NH2 3.58Å; D259-V269 HydrophobicContact CB-CB 4.09Å; D259-V269 PolarHBondContact OD1-N 2.87Å
260	K	89.1	Confident	90	Very high	22 Å²	22	17.4 Å²	17.4	10%	0.096	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-33.8	177.3	-170.1	57.1	175.6	-178.7	0	112.9	H119 S129 F141 N256 H257 V258 P264	H119-K260 HydrophobicContact CB-CD 4.25Å; S129-K260 WeakPolarHBondContact OG-CE 3.45Å; F141-K260 HydrophobicContact CZ-CG 4.13Å; N256-K260 PolarHBondContact O-N 3.24Å; H257-K260 PolarHBondContact O-N 2.69Å; V258-K260 VanDerWaalsContact C-N 3.28Å; V258-K260 PolarHBondContact O-N 2.81Å; K260-P264 WeakPolarHBondContact O-CD 3.39Å
261	L	88	Confident	89.9	Confident	15 Å²	15	16.6 Å²	16.6	8%	0.079	10%	0.1	C	C	.	.	H	α-helix	trans	-74.9	-31.3	179.8	-67.9	174.5	0	0	0	112.9	H257 V258 D259 A358 I386	H257-L261 WeakPolarHBondContact O-CG 3.31Å; H257-L261 PolarHBondContact O-N 3.11Å; V258-L261 PolarHBondContact O-N 3.23Å; V258-L261 VanDerWaalsContact O-N 3.08Å; D259-L261 VanDerWaalsContact C-N 3.27Å; D259-L261 PolarHBondContact O-N 2.66Å; L261-A358 HydrophobicContact CD1-CB 3.77Å; L261-I386 HydrophobicContact CB-CD1 3.97Å; L261-I386 HydrophobicContact CD1-CD1 4.32Å; L261-I386 HydrophobicContact CD2-CD1 4.17Å; L261-I386 HydrophobicContact CG-CD1 4.38Å
262	Y	90.4	Very high	89.7	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-87.9	-25.5	-178.8	-85.9	-82.7	0	0	0	114.2	V258 D259 P264 V265 V267 V269 A358 M361 G362 L365 F399	V258-Y262 HydrophobicContact CG1-CD2 4.02Å; V258-Y262 HydrophobicContact CG1-CE2 4.14Å; V258-Y262 WeakPolarHBondContact O-CD2 3.19Å; V258-Y262 PolarHBondContact O-N 3.34Å; D259-Y262 PolarHBondContact O-N 3.05Å; Y262-P264 VanDerWaalsContact C-CD 3.47Å; Y262-V265 HydrophobicContact CD1-CG2 4.01Å; Y262-V265 WeakPolarHBondContact O-CG2 3.43Å; Y262-V265 PolarHBondContact O-N 2.89Å; Y262-V267 CarbonylContact C-O 3.54Å; Y262-V267 WeakPolarHBondContact CB-O 3.38Å; Y262-V267 HydrophobicContact CD1-CB 3.98Å; Y262-V267 HydrophobicContact CD1-CG1 4.08Å; Y262-V267 HydrophobicContact CG-CB 4.47Å; Y262-V267 HydrophobicContact CG-CG1 4.45Å; Y262-V267 PolarHBondContact O-N 3.09Å; Y262-V267 VanDerWaalsContact O-O 3.09Å; Y262-V269 HydrophobicContact CD2-CG2 4Å; Y262-V269 HydrophobicContact CG-CG2 4.13Å; Y262-A358 HydrophobicContact CE2-CB 3.95Å; Y262-A358 PolarHBondContact OH-O 3.17Å; Y262-M361 HydrophobicContact CD2-CE 3.59Å; Y262-M361 HydrophobicContact CE1-CE 4.35Å; Y262-M361 HydrophobicContact CE2-CE 3.09Å; Y262-M361 HydrophobicContact CG-CE 4.37Å; Y262-M361 VanDerWaalsContact OH-C 3.27Å; Y262-M361 WeakPolarHBondContact OH-CB 3.45Å; Y262-G362 WeakPolarHBondContact OH-CA 3.45Å; Y262-G362 PolarHBondContact OH-N 3.5Å; Y262-L365 HydrophobicContact CD1-CD1 4.36Å; Y262-L365 HydrophobicContact CE1-CD1 3.5Å; Y262-L365 VanDerWaalsContact CE1-CD1 3.5Å; Y262-F399 AromaticContact CD1-CE2 3.87Å; Y262-F399 HydrophobicContact CD1-CE2 3.87Å; Y262-F399 HydrophobicContact CD1-CZ 4.09Å; Y262-F399 HydrophobicContact CD2-CE2 4.45Å; Y262-F399 AromaticContact CE1-CE2 3.86Å; Y262-F399 HydrophobicContact CE1-CE2 3.86Å; Y262-F399 AromaticContact CE1-CZ 3.58Å; Y262-F399 HydrophobicContact CE1-CZ 3.58Å; Y262-F399 HydrophobicContact CE2-CE2 4.42Å; Y262-F399 HydrophobicContact CE2-CZ 4.05Å; Y262-F399 HydrophobicContact CG-CE2 4.21Å; Y262-F399 AromaticContact CZ-CZ 3.59Å
263	R	85.4	Confident	89.6	Confident	50 Å²	50	16.2 Å²	16.2	19%	0.189	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-52.1	-43.6	-179.8	-173.1	173.4	174.5	170.4	-0.3	113.9	D259 V265 G266 V267 E452	D259-R263 PolarHBondContact O-N 3.29Å; R263-V265 PolarHBondContact O-N 2.79Å; R263-V265 VanDerWaalsContact O-N 3.17Å; R263-G266 PolarHBondContact O-N 3.06Å; R263-G266 VanDerWaalsContact O-N 3.14Å; R263-V267 WeakPolarHBondContact CA-O 3.34Å; R263-V267 PolarHBondContact N-O 2.96Å; R263-E452 IonicContact CZ-OE1 3.2Å; R263-E452 IonicContact CZ-OE2 3.36Å; R263-E452 IonicContact NE-OE2 2.6Å; R263-E452 IonicContact NH2-OE1 2.77Å; R263-E452 IonicContact NH2-OE2 3.45Å; R263-E452 PolarHBondContact NH2-OE2 3.33Å
264	P	81.7	Confident	89.8	Confident	105 Å²	105	15.6 Å²	15.6	68%	0.682	10%	0.095	S	C	*	.	G	3₁₀ helix	trans	-63.5	-19.7	177.8	-23.3	35	0	0	0	114.9	K260 Y262	K260-P264 WeakPolarHBondContact O-CD 3.39Å; Y262-P264 VanDerWaalsContact C-CD 3.47Å
265	V	82.8	Confident	89.8	Confident	27 Å²	27	15.7 Å²	15.7	16%	0.164	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-103.1	17.4	179	-58	0	0	0	0	112.8	Y262 R263 V267 F399 Q404 L407	Y262-V265 HydrophobicContact CD1-CG2 4.01Å; Y262-V265 WeakPolarHBondContact O-CG2 3.43Å; Y262-V265 PolarHBondContact O-N 2.89Å; R263-V265 PolarHBondContact O-N 2.79Å; R263-V265 VanDerWaalsContact O-N 3.17Å; V265-V267 VanDerWaalsContact C-N 3.33Å; V265-V267 PolarHBondContact O-N 3.46Å; V265-F399 HydrophobicContact CB-CD2 4.48Å; V265-F399 HydrophobicContact CG1-CB 4.01Å; V265-F399 HydrophobicContact CG1-CD2 3.75Å; V265-F399 HydrophobicContact CG1-CG 4.22Å; V265-F399 HydrophobicContact CG2-CD2 3.86Å; V265-F399 HydrophobicContact CG2-CE2 4.05Å; V265-Q404 HydrophobicContact CG1-CG 3.78Å; V265-L407 HydrophobicContact CB-CD2 3.85Å; V265-L407 HydrophobicContact CG2-CD2 3.61Å
266	G	79.7	Confident	89.9	Confident	48 Å²	48	15.6 Å²	15.6	50%	0.495	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	17.6	173.1	0	0	0	0	0	114.8	R263	R263-G266 PolarHBondContact O-N 3.06Å; R263-G266 VanDerWaalsContact O-N 3.14Å
267	V	87.4	Confident	89.9	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.8	177.4	178.9	0	0	0	0	109.3	R225 V227 Y262 R263 V265 L407 L411	R225-V267 HydrophobicContact CB-CG2 4.18Å; R225-V267 CarbonylContact O-C 3.51Å; R225-V267 WeakPolarHBondContact O-CA 3.31Å; V227-V267 HydrophobicContact CG2-CG1 3.82Å; Y262-V267 CarbonylContact C-O 3.54Å; Y262-V267 WeakPolarHBondContact CB-O 3.38Å; Y262-V267 HydrophobicContact CD1-CB 3.98Å; Y262-V267 HydrophobicContact CD1-CG1 4.08Å; Y262-V267 HydrophobicContact CG-CB 4.47Å; Y262-V267 HydrophobicContact CG-CG1 4.45Å; Y262-V267 PolarHBondContact O-N 3.09Å; Y262-V267 VanDerWaalsContact O-O 3.09Å; R263-V267 WeakPolarHBondContact CA-O 3.34Å; R263-V267 PolarHBondContact N-O 2.96Å; V265-V267 VanDerWaalsContact C-N 3.33Å; V265-V267 PolarHBondContact O-N 3.46Å; V267-L407 HydrophobicContact CG2-CD2 4.13Å; V267-L411 HydrophobicContact CG2-CD1 4.37Å
268	R	87.9	Confident	90	Very high	30 Å²	30	16.2 Å²	16.2	11%	0.113	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146.2	171.5	-64.9	-61.4	-60.2	-85.2	-0.6	109.9	N86 R225 T226 V227 D259 F438	N86-R268 PolarHBondContact OD1-NH2 3.44Å; R225-R268 PolarHBondContact O-N 3.49Å; T226-R268 CarbonylContact C-O 3.51Å; T226-R268 WeakPolarHBondContact CA-O 3.32Å; T226-R268 HydrophobicContact CG2-CB 4.43Å; V227-R268 PolarHBondContact N-O 3.24Å; D259-R268 IonicContact OD1-NE 2.84Å; D259-R268 PolarHBondContact OD1-NE 2.85Å; D259-R268 IonicContact OD2-NE 3.94Å; D259-R268 IonicContact OD2-NH2 3.58Å; R268-F438 HydrophobicContact CG-CZ 4.46Å; R268-F438 VanDerWaalsContact NH1-CE2 3.28Å
269	V	91.8	Very high	89.8	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.4	179.2	-176.4	0	0	0	0	108.5	L229 V258 D259 Y262 M361	L229-V269 HydrophobicContact CB-CG1 3.98Å; L229-V269 HydrophobicContact CD2-CG1 3.8Å; L229-V269 HydrophobicContact CG-CG1 4.5Å; V258-V269 HydrophobicContact CG1-CB 4.45Å; V258-V269 HydrophobicContact CG1-CG1 4.13Å; V258-V269 HydrophobicContact CG1-CG2 4.18Å; D259-V269 HydrophobicContact CB-CB 4.09Å; D259-V269 PolarHBondContact OD1-N 2.87Å; Y262-V269 HydrophobicContact CD2-CG2 4Å; Y262-V269 HydrophobicContact CG-CG2 4.13Å; V269-M361 HydrophobicContact CG1-CE 4.27Å; V269-M361 HydrophobicContact CG2-CE 3.65Å
270	M	90.1	Very high	89.8	Confident	14 Å²	14	28.9 Å²	28.9	7%	0.069	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.5	-176.1	-178.2	177.3	62.7	0	0	109.5	T226 V227 E228 L229 V272 P423	T226-M270 HydrophobicContact CG2-CB 4.17Å; V227-M270 PolarHBondContact O-N 2.95Å; E228-M270 HydrophobicContact CG-CE 4.08Å; L229-M270 PolarHBondContact N-O 2.84Å; M270-V272 HydrophobicContact CE-CG1 3.76Å; M270-V272 HydrophobicContact CG-CG1 4.39Å; M270-V272 PolarHBondContact O-N 2.76Å; M270-P423 HydrophobicContact CE-CB 4.31Å; M270-P423 HydrophobicContact CE-CG 3.42Å; M270-P423 VanDerWaalsContact CE-CG 3.42Å; M270-P423 HydrophobicContact SD-CG 4.18Å
271	L	91.8	Very high	90.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.3	176.8	-172.4	69.4	0	0	0	110.1	L89 V90 G91 F94 L229 V231 V251 L252 A255	L89-L271 WeakPolarHBondContact O-CB 3.46Å; L89-L271 PolarHBondContact O-N 2.93Å; V90-L271 WeakPolarHBondContact CA-O 3.48Å; G91-L271 PolarHBondContact N-O 2.83Å; F94-L271 HydrophobicContact CD2-CD2 4.15Å; F94-L271 HydrophobicContact CD2-CG 3.93Å; F94-L271 HydrophobicContact CE2-CD1 4.48Å; F94-L271 HydrophobicContact CE2-CD2 3.42Å; F94-L271 VanDerWaalsContact CE2-CD2 3.42Å; F94-L271 HydrophobicContact CE2-CG 3.56Å; F94-L271 HydrophobicContact CZ-CD2 3.85Å; F94-L271 HydrophobicContact CZ-CG 4.47Å; L229-L271 HydrophobicContact CD2-CD1 4.48Å; L229-L271 HydrophobicContact CG-CD1 4.39Å; L229-L271 WeakPolarHBondContact O-CA 3.36Å; V231-L271 HydrophobicContact CB-CD1 4.26Å; V231-L271 HydrophobicContact CG2-CD1 3.67Å; V251-L271 HydrophobicContact CG1-CD1 4.38Å; V251-L271 HydrophobicContact CG1-CD2 4.1Å; L252-L271 HydrophobicContact CD2-CD2 3.75Å; L252-L271 HydrophobicContact CG-CD2 4.45Å; A255-L271 HydrophobicContact CB-CB 4.37Å; A255-L271 HydrophobicContact CB-CD2 4.46Å
272	V	90.1	Very high	90.4	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-13.2	-178.4	-61.8	0	0	0	0	113.6	F94 E228 L229 M270 H310	F94-V272 WeakPolarHBondContact CA-O 3.3Å; E228-V272 HydrophobicContact CB-CG1 3.89Å; E228-V272 HydrophobicContact CB-CG2 4Å; E228-V272 HydrophobicContact CG-CG1 4.16Å; L229-V272 WeakPolarHBondContact O-CG2 2.92Å; L229-V272 PolarHBondContact O-N 2.9Å; M270-V272 HydrophobicContact CE-CG1 3.76Å; M270-V272 HydrophobicContact CG-CG1 4.39Å; M270-V272 PolarHBondContact O-N 2.76Å; V272-H310 HydrophobicContact CG2-CB 3.72Å
273	G	91.4	Very high	90.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	145.6	173.9	0	0	0	0	0	113.6	T95 A230 V231	T95-G273 WeakPolarHBondContact O-CA 3.3Å; A230-G273 CarbonylContact C-O 3.52Å; A230-G273 WeakPolarHBondContact CA-O 3.04Å; V231-G273 PolarHBondContact N-O 3.01Å
274	L	95.4	Very high	91.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.2	172.3	170.4	57.2	0	0	0	109.2	F94 T95 V96 T97 V231 V233 E248 V251 V276	F94-L274 HydrophobicContact CE2-CB 3.84Å; F94-L274 HydrophobicContact CZ-CB 3.82Å; T95-L274 PolarHBondContact O-N 3.19Å; V96-L274 CarbonylContact C-O 3.04Å; V96-L274 WeakPolarHBondContact CA-O 3.24Å; V96-L274 HydrophobicContact CG1-CD2 4.17Å; V96-L274 HydrophobicContact CG1-CG 4.32Å; V96-L274 HydrophobicContact CG2-CB 4.42Å; V96-L274 HydrophobicContact CG2-CD2 4.43Å; T97-L274 PolarHBondContact N-O 3.02Å; V231-L274 HydrophobicContact CB-CD1 4.33Å; V231-L274 HydrophobicContact CG1-CD1 4.28Å; V231-L274 CarbonylContact O-C 3.53Å; V231-L274 WeakPolarHBondContact O-CA 3.38Å; V233-L274 HydrophobicContact CG2-CD1 3.92Å; E248-L274 HydrophobicContact CB-CD2 3.9Å; E248-L274 HydrophobicContact CG-CD2 4.07Å; V251-L274 HydrophobicContact CB-CD1 4.34Å; V251-L274 HydrophobicContact CB-CD2 4.3Å; V251-L274 HydrophobicContact CG1-CD1 4.18Å; V251-L274 HydrophobicContact CG2-CD1 3.93Å; V251-L274 HydrophobicContact CG2-CD2 4.48Å; L274-V276 HydrophobicContact CD1-CG2 4Å; L274-V276 HydrophobicContact CD2-CG2 4.2Å; L274-V276 HydrophobicContact CG-CG2 3.9Å
275	H	95.3	Very high	91.7	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.023	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.3	173.7	-71.9	-111.4	0	0	0	109.8	T97 V231 V232 V233 L304	T97-H275 CarbonylContact O-C 3.54Å; T97-H275 WeakPolarHBondContact O-CA 3.32Å; V231-H275 PolarHBondContact O-N 3.28Å; V232-H275 CarbonylContact C-O 3.53Å; V232-H275 WeakPolarHBondContact CA-O 3.35Å; V232-H275 HydrophobicContact CG1-CB 4.23Å; V232-H275 HydrophobicContact CG2-CB 4.2Å; V233-H275 PolarHBondContact N-O 2.96Å; H275-L304 VanDerWaalsContact CD2-CD1 3.5Å; H275-L304 WeakPolarHBondContact CD2-CD1 3.24Å; H275-L304 WeakPolarHBondContact NE2-CD1 3.43Å
276	V	96.4	Very high	92.2	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115.8	-179.6	-173.3	0	0	0	0	109.2	T97 Y98 Y238 V247 L274 S278	T97-V276 PolarHBondContact O-N 2.86Å; Y98-V276 WeakPolarHBondContact CA-O 3.37Å; Y238-V276 HydrophobicContact CD2-CG1 3.7Å; Y238-V276 HydrophobicContact CG-CG1 4.22Å; V247-V276 HydrophobicContact CG1-CG1 4.28Å; V247-V276 HydrophobicContact CG1-CG2 3.85Å; L274-V276 HydrophobicContact CD1-CG2 4Å; L274-V276 HydrophobicContact CD2-CG2 4.2Å; L274-V276 HydrophobicContact CG-CG2 3.9Å; V276-S278 PolarHBondContact O-N 3.23Å
277	W	95.2	Very high	92.7	Very high	2 Å²	2	34 Å²	34	1%	0.008	16%	0.164	C	C	.	.			trans	-78.3	67.1	175.9	-65	-15.5	0	0	0	111.1	V232 V233 D234 N235 Y279 D281 E282 I283 W299 F315	V232-W277 HydrophobicContact CG1-CD2 4.45Å; V232-W277 HydrophobicContact CG1-CH2 4.46Å; V232-W277 HydrophobicContact CG1-CZ2 3.79Å; V233-W277 PolarHBondContact O-N 3.4Å; D234-W277 HydrophobicContact CB-CE3 4.21Å; N235-W277 VanDerWaalsContact CA-O 3.24Å; N235-W277 WeakPolarHBondContact CA-O 3.18Å; N235-W277 VanDerWaalsContact CB-O 3.29Å; N235-W277 WeakPolarHBondContact CB-O 3Å; N235-W277 PolarHBondContact ND2-O 3.43Å; W277-Y279 PolarHBondContact O-N 3.34Å; W277-D281 HydrophobicContact CE3-CB 3.78Å; W277-D281 HydrophobicContact CZ3-CB 4.1Å; W277-E282 HydrophobicContact CD2-CB 4.25Å; W277-E282 HydrophobicContact CD2-CG 4.31Å; W277-E282 HydrophobicContact CG-CG 4.35Å; W277-E282 HydrophobicContact CH2-CB 4.3Å; W277-E282 HydrophobicContact CZ2-CB 3.75Å; W277-E282 HydrophobicContact CZ2-CG 4.43Å; W277-I283 HydrophobicContact CH2-CB 4.16Å; W277-I283 HydrophobicContact CH2-CD1 3.83Å; W277-I283 HydrophobicContact CH2-CG1 3.58Å; W277-I283 HydrophobicContact CH2-CG2 3.94Å; W277-I283 HydrophobicContact CZ3-CB 4.49Å; W277-I283 HydrophobicContact CZ3-CD1 4.2Å; W277-I283 HydrophobicContact CZ3-CG1 3.68Å; W277-W299 AromaticContact CZ2-CD2 3.92Å; W277-W299 HydrophobicContact CZ2-CD2 3.92Å; W277-W299 AromaticContact CZ2-CE2 3.79Å; W277-W299 HydrophobicContact CZ2-CE3 4.16Å; W277-W299 HydrophobicContact CZ2-CG 4.49Å; W277-W299 HydrophobicContact CZ2-CH2 4.19Å; W277-W299 AromaticContact CZ2-CZ2 3.93Å; W277-W299 HydrophobicContact CZ2-CZ2 3.93Å; W277-W299 HydrophobicContact CZ2-CZ3 4.3Å; W277-W299 AromaticContact NE1-CZ2 3.7Å; W277-F315 AromaticContact CE3-CE2 3.99Å; W277-F315 HydrophobicContact CE3-CE2 3.99Å; W277-F315 HydrophobicContact CE3-CZ 4.31Å; W277-F315 HydrophobicContact CH2-CD2 4.38Å; W277-F315 AromaticContact CH2-CE2 3.51Å; W277-F315 HydrophobicContact CH2-CE2 3.51Å; W277-F315 HydrophobicContact CH2-CZ 4.09Å; W277-F315 HydrophobicContact CZ2-CE2 4.27Å; W277-F315 AromaticContact CZ3-CE2 3.35Å; W277-F315 HydrophobicContact CZ3-CE2 3.35Å; W277-F315 AromaticContact CZ3-CZ 3.59Å; W277-F315 HydrophobicContact CZ3-CZ 3.59Å
278	S	93.1	Very high	92.5	Very high	13 Å²	13	36.4 Å²	36.4	9%	0.091	18%	0.177	C	C	.	.	S	Bend	trans	-68.3	-30	-173.9	51.1	0	0	0	0	114.3	N99 N235 Y238 V276	N99-S278 WeakPolarHBondContact CA-OG 2.98Å; N99-S278 PolarHBondContact N-OG 3.13Å; N99-S278 PolarHBondContact O-OG 2.91Å; N235-S278 VanDerWaalsContact ND2-C 3.3Å; N235-S278 PolarHBondContact ND2-O 3.38Å; Y238-S278 WeakPolarHBondContact CD1-O 3.18Å; Y238-S278 VanDerWaalsContact CE1-O 3.31Å; Y238-S278 WeakPolarHBondContact CE1-O 3.36Å; V276-S278 PolarHBondContact O-N 3.23Å
279	Y	89.9	Confident	92.2	Very high	133 Å²	133	35.4 Å²	35.4	52%	0.522	17%	0.174	S	C	.	.	S	Bend	trans	-91.7	-52.9	-177.5	-176.9	-104	0	0	0	112.5	W277	W277-Y279 PolarHBondContact O-N 3.34Å
280	K	91.9	Very high	91.5	Very high	133 Å²	133	38.3 Å²	38.3	58%	0.578	19%	0.187	S	C	*	.	S	Bend	trans	-157.2	157.5	176.8	70.9	-179.6	-175.7	171.1	0	109.5
281	D	95.8	Very high	90.9	Very high	49 Å²	49	40.2 Å²	40.2	26%	0.262	20%	0.2	S	C	.	.			trans	-65.6	139.8	172.4	-58.5	-48	0	0	0	111.4	N235 W277 I283	N235-D281 WeakPolarHBondContact CB-OD1 3.26Å; N235-D281 PolarHBondContact N-OD1 3.24Å; W277-D281 HydrophobicContact CE3-CB 3.78Å; W277-D281 HydrophobicContact CZ3-CB 4.1Å; D281-I283 VanDerWaalsContact C-N 3.34Å; D281-I283 WeakPolarHBondContact CB-O 3.34Å
282	E	94	Very high	90.7	Very high	63 Å²	63	40.2 Å²	40.2	29%	0.294	20%	0.2	S	C	.	.	S	Bend	trans	-86.4	-10.1	174.6	-61.9	-167.4	-150.7	0	0	112.5	W277 W299	W277-E282 HydrophobicContact CD2-CB 4.25Å; W277-E282 HydrophobicContact CD2-CG 4.31Å; W277-E282 HydrophobicContact CG-CG 4.35Å; W277-E282 HydrophobicContact CH2-CB 4.3Å; W277-E282 HydrophobicContact CZ2-CB 3.75Å; W277-E282 HydrophobicContact CZ2-CG 4.43Å; E282-W299 PolarHBondContact OE2-NE1 2.86Å
283	I	95.6	Very high	90.4	Very high	20 Å²	20	40.3 Å²	40.3	10%	0.103	20%	0.2	C	C	.	.	S	Bend	trans	-130.5	159.5	168.6	76.4	-173.8	0	0	0	109.8	W277 D281 V285 R295 F296 W299 F315	W277-I283 HydrophobicContact CH2-CB 4.16Å; W277-I283 HydrophobicContact CH2-CD1 3.83Å; W277-I283 HydrophobicContact CH2-CG1 3.58Å; W277-I283 HydrophobicContact CH2-CG2 3.94Å; W277-I283 HydrophobicContact CZ3-CB 4.49Å; W277-I283 HydrophobicContact CZ3-CD1 4.2Å; W277-I283 HydrophobicContact CZ3-CG1 3.68Å; D281-I283 VanDerWaalsContact C-N 3.34Å; D281-I283 WeakPolarHBondContact CB-O 3.34Å; I283-V285 HydrophobicContact CG1-CG2 4.3Å; I283-V285 PolarHBondContact O-N 3.2Å; I283-R295 HydrophobicContact CB-CB 4.22Å; I283-R295 HydrophobicContact CD1-CB 4.11Å; I283-F296 HydrophobicContact CD1-CB 3.81Å; I283-W299 HydrophobicContact CG2-CB 3.51Å; I283-W299 HydrophobicContact CG2-CG 3.84Å; I283-F315 HydrophobicContact CD1-CZ 4.32Å
284	E	94.8	Very high	89.7	Confident	128 Å²	128	42.3 Å²	42.3	60%	0.598	22%	0.22	S	C	*	.			trans	-78.2	110.7	169.1	-174.1	-157.3	124.9	0	0	109.8	S286 R295	E284-S286 PolarHBondContact O-N 3.27Å; E284-R295 VanDerWaalsContact CD-NH2 3.29Å; E284-R295 VanDerWaalsContact O-CD 3.25Å; E284-R295 WeakPolarHBondContact O-CD 3.26Å; E284-R295 PolarHBondContact O-NH1 2.91Å; E284-R295 IonicContact OE1-CZ 3.11Å; E284-R295 IonicContact OE1-NH1 3.86Å; E284-R295 PolarHBondContact OE1-NH1 2.78Å; E284-R295 IonicContact OE1-NH2 3.59Å; E284-R295 PolarHBondContact OE1-NH2 3.07Å; E284-R295 IonicContact OE2-CZ 2.81Å; E284-R295 IonicContact OE2-NH1 3.9Å; E284-R295 IonicContact OE2-NH2 2.66Å; E284-R295 PolarHBondContact OE2-NH2 3.23Å; E284-R295 VanDerWaalsContact OE2-NH2 3.11Å
285	V	96.1	Very high	89.3	Confident	26 Å²	26	45.8 Å²	45.8	16%	0.158	23%	0.234	C	C	.	.			trans	-79.4	116.9	177.7	-173.2	0	0	0	0	109.5	D234 I283 T292 F315 V319	D234-V285 HydrophobicContact CB-CG2 4.27Å; I283-V285 HydrophobicContact CG1-CG2 4.3Å; I283-V285 PolarHBondContact O-N 3.2Å; V285-T292 HydrophobicContact CG1-CG2 4.06Å; V285-F315 HydrophobicContact CG1-CE1 4.41Å; V285-F315 HydrophobicContact CG2-CE1 4.2Å; V285-F315 HydrophobicContact CG2-CZ 3.88Å; V285-V319 HydrophobicContact CB-CG2 4.35Å; V285-V319 HydrophobicContact CG1-CB 3.98Å; V285-V319 HydrophobicContact CG1-CG1 4.42Å; V285-V319 HydrophobicContact CG1-CG2 3.76Å
286	S	92.6	Very high	89.3	Confident	27 Å²	27	45.6 Å²	45.6	19%	0.189	23%	0.233	C	C	.	.			trans	-99.2	151.2	178.9	-175.4	0	0	0	0	111	E284 N288 T292	E284-S286 PolarHBondContact O-N 3.27Å; S286-N288 PolarHBondContact O-N 3.22Å; S286-N288 PolarHBondContact OG-N 2.83Å; S286-N288 VanDerWaalsContact OG-N 3.16Å; S286-T292 WeakPolarHBondContact CA-OG1 2.91Å; S286-T292 PolarHBondContact N-OG1 3.09Å; S286-T292 PolarHBondContact O-OG1 3.04Å
287	T	90	Very high	88.6	Confident	60 Å²	60	45.9 Å²	45.9	37%	0.368	23%	0.234	S	C	.	.	S	Bend	trans	-65.1	-17	167.3	54.7	0	0	0	0	112.1	P289 V319 F321 E322	T287-P289 WeakPolarHBondContact O-CD 3.02Å; T287-V319 HydrophobicContact CG2-CG1 4.17Å; T287-F321 CarbonylContact O-C 3.43Å; T287-F321 VanDerWaalsContact O-CA 3.3Å; T287-F321 WeakPolarHBondContact O-CA 3.21Å; T287-E322 PolarHBondContact O-N 3.07Å; T287-E322 PolarHBondContact OG1-OE1 3.24Å
288	N	83.2	Confident	87.9	Confident	52 Å²	52	50 Å²	50	28%	0.278	25%	0.254	S	S	.	.	S	Bend	trans	-85.6	114.7	169.2	-175.9	-29	0	0	0	110.5	S286 E290 V291 T292	S286-N288 PolarHBondContact O-N 3.22Å; S286-N288 PolarHBondContact OG-N 2.83Å; S286-N288 VanDerWaalsContact OG-N 3.16Å; N288-E290 VanDerWaalsContact C-N 3.32Å; N288-E290 PolarHBondContact O-N 2.79Å; N288-E290 WeakPolarHBondContact OD1-CB 3.12Å; N288-E290 PolarHBondContact OD1-N 2.03Å; N288-V291 HydrophobicContact CB-CB 4.3Å; N288-V291 HydrophobicContact CB-CG2 4.02Å; N288-V291 PolarHBondContact O-N 2.02Å; N288-T292 PolarHBondContact O-N 3.39Å; N288-T292 PolarHBondContact O-OG1 3.31Å
289	P	82.7	Confident	87.9	Confident	9 Å²	9	49.9 Å²	49.9	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-28.1	-176.8	25.7	-33.5	0	0	0	113.7	T287 T292 L293 F321 T325 L328 V342	T287-P289 WeakPolarHBondContact O-CD 3.02Å; P289-T292 PolarHBondContact O-N 2.77Å; P289-L293 VanDerWaalsContact O-CB 3.23Å; P289-L293 WeakPolarHBondContact O-CB 2.96Å; P289-L293 PolarHBondContact O-N 3.25Å; P289-F321 HydrophobicContact CB-CD1 4.04Å; P289-F321 HydrophobicContact CB-CD2 4.05Å; P289-F321 HydrophobicContact CB-CE1 4.16Å; P289-F321 HydrophobicContact CB-CE2 4.16Å; P289-F321 HydrophobicContact CB-CG 4Å; P289-F321 HydrophobicContact CB-CZ 4.23Å; P289-F321 HydrophobicContact CG-CG 4.39Å; P289-T325 HydrophobicContact CB-CG2 4.36Å; P289-T325 HydrophobicContact CG-CG2 3.78Å; P289-L328 HydrophobicContact CB-CB 4.16Å; P289-L328 HydrophobicContact CB-CD2 4.34Å; P289-V342 HydrophobicContact CB-CG2 4.27Å
290	E	75.7	Confident	87.9	Confident	62 Å²	62	43.6 Å²	43.6	29%	0.29	23%	0.226	S	C	.	.	H	α-helix	trans	-65.9	-42.7	176.5	-65.3	-174.4	164.8	0	0	111.4	G190 N288 L293 G294 L328	G190-E290 VanDerWaalsContact CA-OE1 3.3Å; G190-E290 WeakPolarHBondContact CA-OE1 3.1Å; N288-E290 VanDerWaalsContact C-N 3.32Å; N288-E290 PolarHBondContact O-N 2.79Å; N288-E290 WeakPolarHBondContact OD1-CB 3.12Å; N288-E290 PolarHBondContact OD1-N 2.03Å; E290-L293 PolarHBondContact O-N 3.1Å; E290-G294 PolarHBondContact O-N 3.45Å; E290-L328 HydrophobicContact CB-CD2 4.22Å; E290-L328 HydrophobicContact CG-CD2 3.7Å
291	V	78.6	Confident	87.4	Confident	55 Å²	55	38.2 Å²	38.2	33%	0.333	20%	0.203	S	C	.	.	H	α-helix	trans	-65.3	-45.4	178.4	176.7	0	0	0	0	110	N288 G294 R295	N288-V291 HydrophobicContact CB-CB 4.3Å; N288-V291 HydrophobicContact CB-CG2 4.02Å; N288-V291 PolarHBondContact O-N 2.02Å; V291-G294 PolarHBondContact O-N 2.85Å; V291-R295 VanDerWaalsContact CG1-CZ 3.45Å; V291-R295 WeakPolarHBondContact O-CG 3.45Å; V291-R295 PolarHBondContact O-N 3.45Å; V291-R295 VanDerWaalsContact O-N 3.11Å
292	T	86.3	Confident	86.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-44.1	178.2	-59.5	0	0	0	0	111.5	V285 S286 N288 P289 G294 R295 F296 F315 F321 V342	V285-T292 HydrophobicContact CG1-CG2 4.06Å; S286-T292 WeakPolarHBondContact CA-OG1 2.91Å; S286-T292 PolarHBondContact N-OG1 3.09Å; S286-T292 PolarHBondContact O-OG1 3.04Å; N288-T292 PolarHBondContact O-N 3.39Å; N288-T292 PolarHBondContact O-OG1 3.31Å; P289-T292 PolarHBondContact O-N 2.77Å; T292-G294 PolarHBondContact O-N 2.91Å; T292-R295 PolarHBondContact O-N 3.36Å; T292-F296 VanDerWaalsContact O-CB 3.26Å; T292-F296 WeakPolarHBondContact O-CB 3.31Å; T292-F296 PolarHBondContact O-N 3.4Å; T292-F315 HydrophobicContact CG2-CD1 4.19Å; T292-F315 HydrophobicContact CG2-CE1 3.91Å; T292-F321 HydrophobicContact CG2-CE1 4.45Å; T292-V342 HydrophobicContact CG2-CG1 4Å
293	L	85.2	Confident	86.3	Confident	9 Å²	9	43 Å²	43	5%	0.047	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-46.7	176.9	179.3	62.9	0	0	0	111.7	P289 E290 R295 F296 L297 L328 V342	P289-L293 VanDerWaalsContact O-CB 3.23Å; P289-L293 WeakPolarHBondContact O-CB 2.96Å; P289-L293 PolarHBondContact O-N 3.25Å; E290-L293 PolarHBondContact O-N 3.1Å; L293-R295 PolarHBondContact O-N 2.85Å; L293-F296 PolarHBondContact O-N 3.29Å; L293-L297 HydrophobicContact CD1-CD1 3.8Å; L293-L297 HydrophobicContact CD1-CG 3.96Å; L293-L297 HydrophobicContact CG-CD1 3.97Å; L293-L297 HydrophobicContact CG-CG 4.45Å; L293-L297 WeakPolarHBondContact O-CG 3.46Å; L293-L297 PolarHBondContact O-N 3.46Å; L293-L328 HydrophobicContact CB-CD2 4.35Å; L293-L328 HydrophobicContact CD2-CB 4.37Å; L293-L328 HydrophobicContact CD2-CD2 3.79Å; L293-L328 HydrophobicContact CD2-CG 3.79Å; L293-V342 HydrophobicContact CB-CG1 4.04Å; L293-V342 HydrophobicContact CB-CG2 4.05Å; L293-V342 HydrophobicContact CD1-CG1 4.05Å
294	G	75	Confident	86	Confident	41 Å²	41	42.1 Å²	42.1	42%	0.423	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-47.5	178.3	0	0	0	0	0	112.5	E290 V291 T292 E298	E290-G294 PolarHBondContact O-N 3.45Å; V291-G294 PolarHBondContact O-N 2.85Å; T292-G294 PolarHBondContact O-N 2.91Å; G294-E298 PolarHBondContact O-N 3.47Å; G294-E298 VanDerWaalsContact O-N 3.13Å
295	R	87.6	Confident	85.5	Confident	74 Å²	74	38.7 Å²	38.7	28%	0.279	20%	0.199	S	C	.	.	H	α-helix	trans	-64.6	-42.4	177.8	-70.4	169.4	174.7	172.3	-6.7	112	I283 E284 V291 T292 L293 E298 W299	I283-R295 HydrophobicContact CB-CB 4.22Å; I283-R295 HydrophobicContact CD1-CB 4.11Å; E284-R295 VanDerWaalsContact CD-NH2 3.29Å; E284-R295 VanDerWaalsContact O-CD 3.25Å; E284-R295 WeakPolarHBondContact O-CD 3.26Å; E284-R295 PolarHBondContact O-NH1 2.91Å; E284-R295 IonicContact OE1-CZ 3.11Å; E284-R295 IonicContact OE1-NH1 3.86Å; E284-R295 PolarHBondContact OE1-NH1 2.78Å; E284-R295 IonicContact OE1-NH2 3.59Å; E284-R295 PolarHBondContact OE1-NH2 3.07Å; E284-R295 IonicContact OE2-CZ 2.81Å; E284-R295 IonicContact OE2-NH1 3.9Å; E284-R295 IonicContact OE2-NH2 2.66Å; E284-R295 PolarHBondContact OE2-NH2 3.23Å; E284-R295 VanDerWaalsContact OE2-NH2 3.11Å; V291-R295 VanDerWaalsContact CG1-CZ 3.45Å; V291-R295 WeakPolarHBondContact O-CG 3.45Å; V291-R295 PolarHBondContact O-N 3.45Å; V291-R295 VanDerWaalsContact O-N 3.11Å; T292-R295 PolarHBondContact O-N 3.36Å; L293-R295 PolarHBondContact O-N 2.85Å; R295-E298 PolarHBondContact O-N 2.92Å; R295-W299 WeakPolarHBondContact O-CB 3.49Å; R295-W299 PolarHBondContact O-N 2.73Å
296	F	94.8	Very high	84.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-45.9	179.2	170.7	-116.3	0	0	0	112	V232 I283 T292 L293 W299 R300 A313 F315 V342	V232-F296 HydrophobicContact CB-CE2 3.89Å; V232-F296 HydrophobicContact CB-CZ 4.42Å; V232-F296 HydrophobicContact CG1-CE2 4.28Å; V232-F296 HydrophobicContact CG2-CE2 3.84Å; V232-F296 HydrophobicContact CG2-CZ 4.19Å; I283-F296 HydrophobicContact CD1-CB 3.81Å; T292-F296 VanDerWaalsContact O-CB 3.26Å; T292-F296 WeakPolarHBondContact O-CB 3.31Å; T292-F296 PolarHBondContact O-N 3.4Å; L293-F296 PolarHBondContact O-N 3.29Å; F296-W299 HydrophobicContact CD2-CE3 4.22Å; F296-W299 HydrophobicContact CE2-CE3 4.13Å; F296-W299 HydrophobicContact CE2-CZ3 4.18Å; F296-W299 PolarHBondContact O-N 2.76Å; F296-R300 WeakPolarHBondContact O-CB 3.44Å; F296-R300 PolarHBondContact O-N 3.19Å; F296-A313 HydrophobicContact CE1-CB 4.29Å; F296-A313 HydrophobicContact CZ-CB 3.82Å; F296-F315 HydrophobicContact CD1-CB 3.77Å; F296-F315 HydrophobicContact CD2-CB 3.8Å; F296-F315 AromaticContact CD2-CD2 3.65Å; F296-F315 HydrophobicContact CD2-CD2 3.65Å; F296-F315 HydrophobicContact CD2-CE2 4.45Å; F296-F315 AromaticContact CD2-CG 3.89Å; F296-F315 HydrophobicContact CD2-CG 3.89Å; F296-F315 HydrophobicContact CE1-CB 3.73Å; F296-F315 HydrophobicContact CE2-CB 3.77Å; F296-F315 AromaticContact CE2-CD2 3.82Å; F296-F315 HydrophobicContact CE2-CD2 3.82Å; F296-F315 HydrophobicContact CE2-CG 4.17Å; F296-F315 HydrophobicContact CG-CB 3.8Å; F296-F315 HydrophobicContact CG-CD2 4.31Å; F296-F315 HydrophobicContact CG-CG 4.1Å; F296-F315 HydrophobicContact CZ-CB 3.73Å; F296-V342 HydrophobicContact CB-CG1 4.26Å; F296-V342 HydrophobicContact CD1-CG1 4.29Å
297	L	83	Confident	84.3	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-36.4	179.4	-67.6	176	0	0	0	112.2	L293 R300 Q301 N330 N338	L293-L297 HydrophobicContact CD1-CD1 3.8Å; L293-L297 HydrophobicContact CD1-CG 3.96Å; L293-L297 HydrophobicContact CG-CD1 3.97Å; L293-L297 HydrophobicContact CG-CG 4.45Å; L293-L297 WeakPolarHBondContact O-CG 3.46Å; L293-L297 PolarHBondContact O-N 3.46Å; L297-R300 WeakPolarHBondContact O-CB 3.41Å; L297-R300 PolarHBondContact O-N 2.75Å; L297-Q301 VanDerWaalsContact O-CG 3.25Å; L297-Q301 WeakPolarHBondContact O-CG 3.29Å; L297-Q301 PolarHBondContact O-N 3.27Å; L297-Q301 PolarHBondContact O-NE2 3.08Å; L297-N330 WeakPolarHBondContact CD1-ND2 3.38Å; L297-N338 HydrophobicContact CD1-CB 4.28Å
298	E	80.3	Confident	84	Confident	89 Å²	89	45.2 Å²	45.2	42%	0.416	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-44.3	172.1	-176.4	178.5	-172.8	0	0	111.4	G294 R295 Q301 R302	G294-E298 PolarHBondContact O-N 3.47Å; G294-E298 VanDerWaalsContact O-N 3.13Å; R295-E298 PolarHBondContact O-N 2.92Å; E298-Q301 PolarHBondContact O-N 3.43Å; E298-R302 PolarHBondContact O-N 3.06Å; E298-R302 VanDerWaalsContact O-N 3.15Å; E298-R302 IonicContact OE1-CZ 2.76Å; E298-R302 IonicContact OE1-NH1 3.76Å; E298-R302 PolarHBondContact OE1-NH1 3.16Å; E298-R302 IonicContact OE1-NH2 3.8Å; E298-R302 PolarHBondContact OE1-NH2 3.15Å
299	W	92.6	Very high	84.1	Confident	10 Å²	10	48.2 Å²	48.2	4%	0.038	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-43.4	175.3	174.4	91.7	0	0	0	111.9	V232 W277 E282 I283 R295 F296 Q301 R302 H303 L304	V232-W299 HydrophobicContact CG1-CH2 4.13Å; V232-W299 HydrophobicContact CG1-CZ3 4.1Å; V232-W299 HydrophobicContact CG2-CH2 4.24Å; V232-W299 HydrophobicContact CG2-CZ3 3.88Å; W277-W299 AromaticContact CZ2-CD2 3.92Å; W277-W299 HydrophobicContact CZ2-CD2 3.92Å; W277-W299 AromaticContact CZ2-CE2 3.79Å; W277-W299 HydrophobicContact CZ2-CE3 4.16Å; W277-W299 HydrophobicContact CZ2-CG 4.49Å; W277-W299 HydrophobicContact CZ2-CH2 4.19Å; W277-W299 AromaticContact CZ2-CZ2 3.93Å; W277-W299 HydrophobicContact CZ2-CZ2 3.93Å; W277-W299 HydrophobicContact CZ2-CZ3 4.3Å; W277-W299 AromaticContact NE1-CZ2 3.7Å; E282-W299 PolarHBondContact OE2-NE1 2.86Å; I283-W299 HydrophobicContact CG2-CB 3.51Å; I283-W299 HydrophobicContact CG2-CG 3.84Å; R295-W299 WeakPolarHBondContact O-CB 3.49Å; R295-W299 PolarHBondContact O-N 2.73Å; F296-W299 HydrophobicContact CD2-CE3 4.22Å; F296-W299 HydrophobicContact CE2-CE3 4.13Å; F296-W299 HydrophobicContact CE2-CZ3 4.18Å; F296-W299 PolarHBondContact O-N 2.76Å; W299-Q301 VanDerWaalsContact C-N 3.26Å; W299-Q301 PolarHBondContact O-N 3.24Å; W299-R302 PolarHBondContact O-N 3.49Å; W299-H303 AromaticContact CD1-CD2 3.41Å; W299-H303 VanDerWaalsContact CD1-CD2 3.41Å; W299-H303 AromaticContact CD1-CG 3.97Å; W299-H303 HydrophobicContact CD2-CB 4.35Å; W299-H303 HydrophobicContact CG-CB 4.48Å; W299-H303 HydrophobicContact CZ2-CB 4.31Å; W299-H303 AromaticContact NE1-CD2 3.77Å; W299-H303 AromaticContact NE1-CG 3.86Å; W299-H303 WeakPolarHBondContact O-CB 3.28Å; W299-H303 PolarHBondContact O-N 2.96Å; W299-L304 HydrophobicContact CE3-CB 4.45Å; W299-L304 HydrophobicContact CH2-CB 4.1Å; W299-L304 HydrophobicContact CH2-CD1 4.35Å; W299-L304 HydrophobicContact CZ3-CB 3.8Å; W299-L304 HydrophobicContact CZ3-CD2 4.08Å; W299-L304 HydrophobicContact CZ3-CG 4.37Å
300	R	91.1	Very high	84.4	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.008	23%	0.234	C	C	.	.	I	π-helix	trans	-54.4	-46.2	176	175.4	-169.1	-179.4	-111.6	-1.4	110.6	F296 L297 L304 L305 H310 A313 T336 S337 S339	F296-R300 WeakPolarHBondContact O-CB 3.44Å; F296-R300 PolarHBondContact O-N 3.19Å; L297-R300 WeakPolarHBondContact O-CB 3.41Å; L297-R300 PolarHBondContact O-N 2.75Å; R300-L304 HydrophobicContact CG-CB 4.27Å; R300-L304 HydrophobicContact CG-CD2 4.26Å; R300-L304 WeakPolarHBondContact O-CB 3.2Å; R300-L304 PolarHBondContact O-N 3.44Å; R300-L305 HydrophobicContact CG-CG 4.38Å; R300-L305 PolarHBondContact O-N 2.77Å; R300-H310 PolarHBondContact NE-NE2 3.47Å; R300-H310 PolarHBondContact NH2-CD2 2.89Å; R300-H310 PolarHBondContact NH2-NE2 3.46Å; R300-A313 HydrophobicContact CG-CB 4.23Å; R300-T336 PolarHBondContact NH1-O 2.92Å; R300-S337 PolarHBondContact NH1-O 3.16Å; R300-S339 VanDerWaalsContact CZ-O 3.3Å; R300-S339 PolarHBondContact NE-O 2.96Å
301	Q	81.4	Confident	85.2	Confident	19 Å²	19	45.6 Å²	45.6	9%	0.089	22%	0.222	C	C	.	.	I	π-helix	trans	-61.6	-48.3	-179.6	-74.4	167.4	43.3	0	0	112.1	L297 E298 W299 L305 S337 N338	L297-Q301 VanDerWaalsContact O-CG 3.25Å; L297-Q301 WeakPolarHBondContact O-CG 3.29Å; L297-Q301 PolarHBondContact O-N 3.27Å; L297-Q301 PolarHBondContact O-NE2 3.08Å; E298-Q301 PolarHBondContact O-N 3.43Å; W299-Q301 VanDerWaalsContact C-N 3.26Å; W299-Q301 PolarHBondContact O-N 3.24Å; Q301-L305 HydrophobicContact CG-CD1 4.47Å; Q301-S337 PolarHBondContact NE2-O 3Å; Q301-N338 PolarHBondContact NE2-OD1 3.37Å; Q301-N338 VanDerWaalsContact NE2-OD1 3.11Å
302	R	79.6	Confident	86	Confident	141 Å²	141	43 Å²	43	53%	0.532	21%	0.206	S	C	.	.	I	π-helix	trans	-81.5	-29.7	-174.3	-67.5	-173.4	-177.4	143.9	12.3	114.7	E298 W299	E298-R302 PolarHBondContact O-N 3.06Å; E298-R302 VanDerWaalsContact O-N 3.15Å; E298-R302 IonicContact OE1-CZ 2.76Å; E298-R302 IonicContact OE1-NH1 3.76Å; E298-R302 PolarHBondContact OE1-NH1 3.16Å; E298-R302 IonicContact OE1-NH2 3.8Å; E298-R302 PolarHBondContact OE1-NH2 3.15Å; W299-R302 PolarHBondContact O-N 3.49Å
303	H	85.6	Confident	86.5	Confident	73 Å²	73	43 Å²	43	34%	0.338	21%	0.206	S	C	.	.	I	π-helix	trans	-121.1	-38	-167.4	-62.4	-73	0	0	0	113.9	W299 R307	W299-H303 AromaticContact CD1-CD2 3.41Å; W299-H303 VanDerWaalsContact CD1-CD2 3.41Å; W299-H303 AromaticContact CD1-CG 3.97Å; W299-H303 HydrophobicContact CD2-CB 4.35Å; W299-H303 HydrophobicContact CG-CB 4.48Å; W299-H303 HydrophobicContact CZ2-CB 4.31Å; W299-H303 AromaticContact NE1-CD2 3.77Å; W299-H303 AromaticContact NE1-CG 3.86Å; W299-H303 WeakPolarHBondContact O-CB 3.28Å; W299-H303 PolarHBondContact O-N 2.96Å; H303-R307 VanDerWaalsContact O-CD 3.22Å; H303-R307 WeakPolarHBondContact O-CD 3.12Å; H303-R307 WeakPolarHBondContact O-CG 3.36Å; H303-R307 PolarHBondContact O-NE 3.46Å
304	L	89.4	Confident	87.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-87.2	-53.4	-175.1	-172.2	61.7	0	0	0	112.5	A230 V232 H275 W299 R300 P306 R307 T308 A313	A230-L304 HydrophobicContact CB-CD2 4.15Å; V232-L304 HydrophobicContact CG2-CD2 4.01Å; H275-L304 VanDerWaalsContact CD2-CD1 3.5Å; H275-L304 WeakPolarHBondContact CD2-CD1 3.24Å; H275-L304 WeakPolarHBondContact NE2-CD1 3.43Å; W299-L304 HydrophobicContact CE3-CB 4.45Å; W299-L304 HydrophobicContact CH2-CB 4.1Å; W299-L304 HydrophobicContact CH2-CD1 4.35Å; W299-L304 HydrophobicContact CZ3-CB 3.8Å; W299-L304 HydrophobicContact CZ3-CD2 4.08Å; W299-L304 HydrophobicContact CZ3-CG 4.37Å; R300-L304 HydrophobicContact CG-CB 4.27Å; R300-L304 HydrophobicContact CG-CD2 4.26Å; R300-L304 WeakPolarHBondContact O-CB 3.2Å; R300-L304 PolarHBondContact O-N 3.44Å; L304-P306 VanDerWaalsContact C-CD 3.47Å; L304-P306 VanDerWaalsContact C-N 3.34Å; L304-R307 PolarHBondContact O-N 3.37Å; L304-T308 PolarHBondContact O-N 3.31Å; L304-A313 HydrophobicContact CD2-CB 4.07Å
305	L	84.5	Confident	88.2	Confident	56 Å²	56	40.6 Å²	40.6	29%	0.293	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-40.4	-178.7	-80.9	176.4	0	0	0	113.9	R300 Q301 R307	R300-L305 HydrophobicContact CG-CG 4.38Å; R300-L305 PolarHBondContact O-N 2.77Å; Q301-L305 HydrophobicContact CG-CD1 4.47Å; L305-R307 PolarHBondContact O-N 3.02Å
306	P	83.4	Confident	88.7	Confident	96 Å²	96	37.3 Å²	37.3	62%	0.623	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.2	177.8	-23.2	35.8	0	0	0	114.6	L304	L304-P306 VanDerWaalsContact C-CD 3.47Å; L304-P306 VanDerWaalsContact C-N 3.34Å
307	R	80.7	Confident	88.8	Confident	139 Å²	139	37.3 Å²	37.3	53%	0.525	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-38.9	-172.5	-62.7	179.6	-175.9	161.7	-1.2	112.7	Q105 H303 L304 L305	Q105-R307 VanDerWaalsContact OE1-NH1 3.14Å; H303-R307 VanDerWaalsContact O-CD 3.22Å; H303-R307 WeakPolarHBondContact O-CD 3.12Å; H303-R307 WeakPolarHBondContact O-CG 3.36Å; H303-R307 PolarHBondContact O-NE 3.46Å; L304-R307 PolarHBondContact O-N 3.37Å; L305-R307 PolarHBondContact O-N 3.02Å
308	T	82.9	Confident	89.4	Confident	16 Å²	16	37.9 Å²	37.9	10%	0.098	18%	0.179	C	C	.	.	S	Bend	trans	-129	115.1	-174.3	-50.9	0	0	0	0	108.2	L304 H310	L304-T308 PolarHBondContact O-N 3.31Å; T308-H310 PolarHBondContact O-CE1 3.49Å; T308-H310 PolarHBondContact O-N 3.42Å; T308-H310 PolarHBondContact O-ND1 3.34Å
309	K	85.5	Confident	90.1	Very high	114 Å²	114	35 Å²	35	50%	0.496	17%	0.168	S	C	.	.			trans	-68.7	127.9	171.5	-173.8	-173	174	-93.2	0	108.6	E228 D421	E228-K309 IonicContact OE1-NZ 3.46Å; E228-K309 IonicContact OE2-NZ 2.85Å; E228-K309 PolarHBondContact OE2-NZ 3.09Å; K309-D421 IonicContact NZ-OD2 2.69Å; K309-D421 PolarHBondContact NZ-OD2 3.36Å
310	H	89.9	Confident	89.9	Confident	10 Å²	10	39 Å²	39	5%	0.046	19%	0.19	C	C	.	.			trans	-162.8	156.3	178	62.4	-77	0	0	0	109.9	A230 V272 R300 T308 N312	A230-H310 HydrophobicContact CB-CB 3.92Å; V272-H310 HydrophobicContact CG2-CB 3.72Å; R300-H310 PolarHBondContact NE-NE2 3.47Å; R300-H310 PolarHBondContact NH2-CD2 2.89Å; R300-H310 PolarHBondContact NH2-NE2 3.46Å; T308-H310 PolarHBondContact O-CE1 3.49Å; T308-H310 PolarHBondContact O-N 3.42Å; T308-H310 PolarHBondContact O-ND1 3.34Å; H310-N312 PolarHBondContact CD2-O 3.16Å
311	D	91.2	Very high	89.8	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.037	19%	0.191	C	C	.	.	S	Bend	trans	-89.1	-36.6	-177.1	-59.3	-31	0	0	0	111.9	V227 E228 M334 S339 C418 L419	V227-D311 HydrophobicContact CG1-CB 4.44Å; E228-D311 HydrophobicContact CB-CB 4.33Å; E228-D311 VanDerWaalsContact CB-OD2 3.31Å; E228-D311 WeakPolarHBondContact CB-OD2 3.41Å; E228-D311 WeakPolarHBondContact CG-OD2 3.4Å; E228-D311 PolarHBondContact N-OD2 2.88Å; E228-D311 PolarHBondContact O-N 2.79Å; D311-M334 HydrophobicContact CB-SD 4.5Å; D311-S339 WeakPolarHBondContact O-CB 3.45Å; D311-S339 PolarHBondContact O-OG 3.24Å; D311-C418 WeakPolarHBondContact CB-SG 3.23Å; D311-C418 WeakPolarHBondContact OD1-CB 3.36Å; D311-C418 PolarHBondContact OD1-SG 2.6Å; D311-L419 HydrophobicContact CB-CD2 4.49Å
312	N	95.4	Very high	89.7	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.8	-174.7	-172.4	-100.9	0	0	0	111.3	V227 E228 A230 H310 Q314 M334 S339 G340 N364	V227-N312 HydrophobicContact CG1-CB 3.96Å; E228-N312 PolarHBondContact O-N 3.39Å; A230-N312 PolarHBondContact N-O 2.87Å; H310-N312 PolarHBondContact CD2-O 3.16Å; N312-Q314 PolarHBondContact OD1-NE2 2.9Å; N312-M334 HydrophobicContact CB-CE 4.04Å; N312-M334 HydrophobicContact CB-SD 3.8Å; N312-S339 WeakPolarHBondContact CA-OG 3.49Å; N312-S339 PolarHBondContact ND2-OG 1.99Å; N312-G340 PolarHBondContact ND2-N 2.9Å; N312-N364 PolarHBondContact ND2-OD1 3.3Å
313	A	96.9	Very high	89.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.8	175.3	0	0	0	0	0	112.5	A230 F296 R300 L304 S339 G340 A341	A230-A313 HydrophobicContact CB-CB 4.37Å; A230-A313 CarbonylContact O-C 3.54Å; A230-A313 VanDerWaalsContact O-CA 3.24Å; A230-A313 WeakPolarHBondContact O-CA 3.3Å; F296-A313 HydrophobicContact CE1-CB 4.29Å; F296-A313 HydrophobicContact CZ-CB 3.82Å; R300-A313 HydrophobicContact CG-CB 4.23Å; L304-A313 HydrophobicContact CD2-CB 4.07Å; A313-S339 PolarHBondContact N-O 3.2Å; A313-G340 CarbonylContact O-C 3.57Å; A313-G340 WeakPolarHBondContact O-CA 3.38Å; A313-A341 PolarHBondContact O-N 3.27Å; A313-A341 VanDerWaalsContact O-N 3.15Å
314	Q	98.4	Very high	88.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.6	-179.5	-64.6	-70.3	-31.6	0	0	109.7	L229 A230 V231 V232 N312 A341 N343 I357	L229-Q314 HydrophobicContact CD1-CB 4.12Å; L229-Q314 HydrophobicContact CD1-CG 3.47Å; L229-Q314 VanDerWaalsContact CD1-CG 3.47Å; A230-Q314 PolarHBondContact O-N 2.79Å; V231-Q314 WeakPolarHBondContact CA-O 3Å; V232-Q314 PolarHBondContact N-O 2.96Å; N312-Q314 PolarHBondContact OD1-NE2 2.9Å; Q314-A341 VanDerWaalsContact OE1-CB 3.32Å; Q314-N343 PolarHBondContact OE1-ND2 3.48Å; Q314-I357 HydrophobicContact CB-CG1 4.45Å; Q314-I357 HydrophobicContact CG-CG2 3.87Å
315	F	98.5	Very high	88	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126	175.9	-173.2	-109.9	0	0	0	109.9	V232 D234 W277 I283 V285 T292 F296 T317 A341 V342 N343	V232-F315 HydrophobicContact CB-CD2 3.97Å; V232-F315 HydrophobicContact CG1-CD2 3.88Å; V232-F315 HydrophobicContact CG1-CE2 4.11Å; V232-F315 CarbonylContact O-C 3.58Å; V232-F315 WeakPolarHBondContact O-CA 3.24Å; D234-F315 HydrophobicContact CB-CE1 4.35Å; D234-F315 HydrophobicContact CB-CE2 4.1Å; D234-F315 HydrophobicContact CB-CZ 3.56Å; W277-F315 AromaticContact CE3-CE2 3.99Å; W277-F315 HydrophobicContact CE3-CE2 3.99Å; W277-F315 HydrophobicContact CE3-CZ 4.31Å; W277-F315 HydrophobicContact CH2-CD2 4.38Å; W277-F315 AromaticContact CH2-CE2 3.51Å; W277-F315 HydrophobicContact CH2-CE2 3.51Å; W277-F315 HydrophobicContact CH2-CZ 4.09Å; W277-F315 HydrophobicContact CZ2-CE2 4.27Å; W277-F315 AromaticContact CZ3-CE2 3.35Å; W277-F315 HydrophobicContact CZ3-CE2 3.35Å; W277-F315 AromaticContact CZ3-CZ 3.59Å; W277-F315 HydrophobicContact CZ3-CZ 3.59Å; I283-F315 HydrophobicContact CD1-CZ 4.32Å; V285-F315 HydrophobicContact CG1-CE1 4.41Å; V285-F315 HydrophobicContact CG2-CE1 4.2Å; V285-F315 HydrophobicContact CG2-CZ 3.88Å; T292-F315 HydrophobicContact CG2-CD1 4.19Å; T292-F315 HydrophobicContact CG2-CE1 3.91Å; F296-F315 HydrophobicContact CD1-CB 3.77Å; F296-F315 HydrophobicContact CD2-CB 3.8Å; F296-F315 AromaticContact CD2-CD2 3.65Å; F296-F315 HydrophobicContact CD2-CD2 3.65Å; F296-F315 HydrophobicContact CD2-CE2 4.45Å; F296-F315 AromaticContact CD2-CG 3.89Å; F296-F315 HydrophobicContact CD2-CG 3.89Å; F296-F315 HydrophobicContact CE1-CB 3.73Å; F296-F315 HydrophobicContact CE2-CB 3.77Å; F296-F315 AromaticContact CE2-CD2 3.82Å; F296-F315 HydrophobicContact CE2-CD2 3.82Å; F296-F315 HydrophobicContact CE2-CG 4.17Å; F296-F315 HydrophobicContact CG-CB 3.8Å; F296-F315 HydrophobicContact CG-CD2 4.31Å; F296-F315 HydrophobicContact CG-CG 4.1Å; F296-F315 HydrophobicContact CZ-CB 3.73Å; F315-T317 HydrophobicContact CE1-CG2 4.37Å; F315-A341 PolarHBondContact N-O 3.19Å; F315-V342 HydrophobicContact CB-CB 4.49Å; F315-V342 HydrophobicContact CB-CG1 4.03Å; F315-V342 HydrophobicContact CD1-CB 4.32Å; F315-V342 HydrophobicContact CD1-CG1 3.94Å; F315-V342 HydrophobicContact CG-CG1 4.38Å; F315-V342 CarbonylContact O-C 3.43Å; F315-N343 WeakPolarHBondContact O-CB 3.47Å; F315-N343 PolarHBondContact O-N 2.92Å; F315-N343 PolarHBondContact O-ND2 2.97Å; F315-N343 VanDerWaalsContact O-ND2 3.12Å
316	I	98.3	Very high	88	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.5	175.2	-58.4	176.1	0	0	0	108	V231 V232 V233 D234 E237 V251 N343 D345 V353 I357	V231-I316 HydrophobicContact CG1-CD1 3.67Å; V231-I316 HydrophobicContact CG1-CG1 4.12Å; V232-I316 PolarHBondContact O-N 3.36Å; V233-I316 HydrophobicContact CG2-CB 4.4Å; D234-I316 PolarHBondContact N-O 2.94Å; E237-I316 HydrophobicContact CG-CG2 4.26Å; V251-I316 HydrophobicContact CG2-CD1 4.36Å; I316-N343 WeakPolarHBondContact CA-O 3.3Å; I316-D345 HydrophobicContact CG2-CB 4.12Å; I316-V353 HydrophobicContact CD1-CG2 4.33Å; I316-V353 HydrophobicContact CG1-CG2 4.32Å; I316-V353 HydrophobicContact CG2-CG2 4.24Å; I316-I357 HydrophobicContact CD1-CD1 3.94Å; I316-I357 HydrophobicContact CG1-CD1 4.16Å
317	T	97.3	Very high	88.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.8	179.6	179.6	0	0	0	0	112.4	D234 F315 V319 F321 N343 D345	D234-T317 VanDerWaalsContact CG-OG1 3.3Å; D234-T317 WeakPolarHBondContact OD1-CA 3.05Å; D234-T317 PolarHBondContact OD2-OG1 3.48Å; F315-T317 HydrophobicContact CE1-CG2 4.37Å; T317-V319 VanDerWaalsContact C-N 3.27Å; T317-V319 WeakPolarHBondContact OG1-CB 3.14Å; T317-V319 PolarHBondContact OG1-N 3.28Å; T317-F321 HydrophobicContact CG2-CE1 4.12Å; T317-F321 HydrophobicContact CG2-CE2 4.14Å; T317-F321 HydrophobicContact CG2-CZ 3.59Å; T317-N343 PolarHBondContact N-O 3.02Å; T317-D345 PolarHBondContact O-N 3.45Å
318	G	94.5	Very high	88.3	Confident	20 Å²	20	27.4 Å²	27.4	21%	0.206	16%	0.163	C	C	.	.	S	Bend	trans	-83.5	0.7	169.2	0	0	0	0	0	113.7	D234	D234-G318 PolarHBondContact OD1-N 2.81Å; D234-G318 VanDerWaalsContact OD1-N 3.15Å
319	V	94.3	Very high	88.4	Confident	28 Å²	28	27.1 Å²	27.1	17%	0.17	16%	0.163	C	C	.	.	S	Bend	trans	-81.9	127.3	175.9	177.8	0	0	0	0	109.8	T236 V285 T287 T317 F321	T236-V319 HydrophobicContact CG2-CG2 4.24Å; V285-V319 HydrophobicContact CB-CG2 4.35Å; V285-V319 HydrophobicContact CG1-CB 3.98Å; V285-V319 HydrophobicContact CG1-CG1 4.42Å; V285-V319 HydrophobicContact CG1-CG2 3.76Å; T287-V319 HydrophobicContact CG2-CG1 4.17Å; T317-V319 VanDerWaalsContact C-N 3.27Å; T317-V319 WeakPolarHBondContact OG1-CB 3.14Å; T317-V319 PolarHBondContact OG1-N 3.28Å; V319-F321 PolarHBondContact O-N 2.97Å
320	D	89.8	Confident	87.7	Confident	95 Å²	95	23.5 Å²	23.5	51%	0.508	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-68.1	124.1	173	-81.4	29.1	0	0	0	110.6	K183	K183-D320 IonicContact NZ-OD2 3.53Å; K183-D320 PolarHBondContact NZ-OD2 2.84Å
321	F	87.9	Confident	86.8	Confident	7 Å²	7	26 Å²	26	3%	0.031	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-77.9	156.6	173.2	-67.3	-43.8	0	0	0	112	T287 P289 T292 T317 V319 V342 E344	T287-F321 CarbonylContact O-C 3.43Å; T287-F321 VanDerWaalsContact O-CA 3.3Å; T287-F321 WeakPolarHBondContact O-CA 3.21Å; P289-F321 HydrophobicContact CB-CD1 4.04Å; P289-F321 HydrophobicContact CB-CD2 4.05Å; P289-F321 HydrophobicContact CB-CE1 4.16Å; P289-F321 HydrophobicContact CB-CE2 4.16Å; P289-F321 HydrophobicContact CB-CG 4Å; P289-F321 HydrophobicContact CB-CZ 4.23Å; P289-F321 HydrophobicContact CG-CG 4.39Å; T292-F321 HydrophobicContact CG2-CE1 4.45Å; T317-F321 HydrophobicContact CG2-CE1 4.12Å; T317-F321 HydrophobicContact CG2-CE2 4.14Å; T317-F321 HydrophobicContact CG2-CZ 3.59Å; V319-F321 PolarHBondContact O-N 2.97Å; F321-V342 HydrophobicContact CE2-CG2 4.2Å; F321-V342 HydrophobicContact CZ-CB 4.15Å; F321-V342 HydrophobicContact CZ-CG2 4Å; F321-E344 HydrophobicContact CD2-CB 3.82Å; F321-E344 HydrophobicContact CE2-CB 4.06Å; F321-E344 PolarHBondContact N-OE2 3.13Å
322	E	80.1	Confident	85.7	Confident	119 Å²	119	27.9 Å²	27.9	56%	0.556	18%	0.175	S	C	*	.	S	Bend	trans	-67	138.7	178.9	-74.3	176.8	-160.7	0	0	112.4	T287 T325	T287-E322 PolarHBondContact O-N 3.07Å; T287-E322 PolarHBondContact OG1-OE1 3.24Å; E322-T325 PolarHBondContact O-OG1 3.29Å
323	G	77.1	Confident	84.6	Confident	69 Å²	69	27.9 Å²	27.9	71%	0.711	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	-132.7	179.5	0	0	0	0	0	111.7
324	S	69.6	Low	84	Confident	48 Å²	48	28.1 Å²	28.1	34%	0.336	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-2.5	-178.1	41.7	0	0	0	0	112.8	S185 S186	S185-S324 CarbonylContact C-O 3.2Å; S185-S324 VanDerWaalsContact CA-O 3.29Å; S185-S324 WeakPolarHBondContact CA-O 3.43Å; S185-S324 WeakPolarHBondContact CB-O 3.29Å; S186-S324 CarbonylContact C-O 3.48Å; S186-S324 PolarHBondContact N-O 3.15Å; S186-S324 CarbonylContact O-C 3.49Å; S186-S324 VanDerWaalsContact OG-CB 3.29Å; S186-S324 WeakPolarHBondContact OG-CB 3.37Å; S186-S324 PolarHBondContact OG-OG 3.08Å
325	T	72.3	Confident	83.1	Confident	8 Å²	8	29.5 Å²	29.5	5%	0.049	19%	0.186	C	C	.	.			trans	-58.6	129.8	-180	-35.7	0	0	0	0	111.5	S186 S188 P289 E322 G327	S186-T325 WeakPolarHBondContact O-CA 3Å; S186-T325 PolarHBondContact O-N 3.37Å; S186-T325 VanDerWaalsContact O-N 3.09Å; S188-T325 WeakPolarHBondContact CB-OG1 2.99Å; P289-T325 HydrophobicContact CB-CG2 4.36Å; P289-T325 HydrophobicContact CG-CG2 3.78Å; E322-T325 PolarHBondContact O-OG1 3.29Å; T325-G327 VanDerWaalsContact CG2-O 3.29Å; T325-G327 WeakPolarHBondContact CG2-O 3.25Å
326	V	84.5	Confident	81.7	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	19%	0.189	C	C	.	.			trans	-121	-6.9	174.1	-71.6	0	0	0	0	112.9	S185 E344 H346 T356 V391	S185-V326 VanDerWaalsContact CB-CG1 3.45Å; V326-E344 HydrophobicContact CB-CB 4.41Å; V326-E344 PolarHBondContact O-N 3.49Å; V326-H346 HydrophobicContact CG1-CB 3.84Å; V326-T356 HydrophobicContact CG2-CG2 4.27Å; V326-T356 VanDerWaalsContact O-CG2 3.32Å; V326-T356 WeakPolarHBondContact O-CG2 3.36Å; V326-V391 HydrophobicContact CG2-CG2 3.83Å
327	G	86.2	Confident	80.1	Confident	1 Å²	1	30 Å²	30	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	160.6	177.5	0	0	0	0	0	111.6	T325 V342 E360	T325-G327 VanDerWaalsContact CG2-O 3.29Å; T325-G327 WeakPolarHBondContact CG2-O 3.25Å; G327-V342 CarbonylContact C-O 3.6Å; G327-V342 WeakPolarHBondContact CA-O 3.27Å; G327-E360 VanDerWaalsContact C-CD 3.46Å; G327-E360 VanDerWaalsContact C-OE1 3.24Å; G327-E360 WeakPolarHBondContact CA-OE1 3.37Å
328	L	84.1	Confident	79	Confident	28 Å²	28	30.9 Å²	30.9	15%	0.147	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	133	172.2	-172.7	70.8	0	0	0	111.2	P289 E290 L293 A341 V342 E360	P289-L328 HydrophobicContact CB-CB 4.16Å; P289-L328 HydrophobicContact CB-CD2 4.34Å; E290-L328 HydrophobicContact CB-CD2 4.22Å; E290-L328 HydrophobicContact CG-CD2 3.7Å; L293-L328 HydrophobicContact CB-CD2 4.35Å; L293-L328 HydrophobicContact CD2-CB 4.37Å; L293-L328 HydrophobicContact CD2-CD2 3.79Å; L293-L328 HydrophobicContact CD2-CG 3.79Å; L328-A341 VanDerWaalsContact O-CA 3.31Å; L328-A341 WeakPolarHBondContact O-CA 3.49Å; L328-A341 WeakPolarHBondContact O-CB 3.4Å; L328-V342 HydrophobicContact CB-CG2 4.01Å; L328-V342 PolarHBondContact N-O 3.41Å; L328-V342 PolarHBondContact O-N 2.95Å; L328-E360 VanDerWaalsContact CA-OE2 3.26Å; L328-E360 WeakPolarHBondContact CA-OE2 3.28Å; L328-E360 PolarHBondContact N-OE2 2.91Å
329	A	84.6	Confident	78.5	Confident	11 Å²	11	29.9 Å²	29.9	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.3	177.7	0	0	0	0	0	112.8	A341 E360 H363	A329-A341 HydrophobicContact CB-CB 3.62Å; A329-E360 HydrophobicContact CB-CB 3.89Å; A329-E360 WeakPolarHBondContact CB-O 3.22Å; A329-E360 WeakPolarHBondContact CB-OE2 3.13Å; A329-E360 PolarHBondContact N-OE2 2.91Å; A329-H363 HydrophobicContact CB-CB 3.82Å
330	N	70.3	Confident	78.3	Confident	37 Å²	37	28.6 Å²	28.6	20%	0.198	18%	0.175	C	C	.	.			trans	-77.4	134.8	164.5	-70.7	-37.1	0	0	0	110.7	L297 A333 N364	L297-N330 WeakPolarHBondContact CD1-ND2 3.38Å; N330-A333 HydrophobicContact CB-CB 3.69Å; N330-N364 WeakPolarHBondContact O-CA 3.42Å; N330-N364 PolarHBondContact O-N 2.89Å; N330-N364 PolarHBondContact O-ND2 3.13Å
331	T	72.1	Confident	78.6	Confident	62 Å²	62	24 Å²	24	38%	0.38	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	147.4	175.6	54.7	0	0	0	0	111.7	A333 H363	T331-A333 PolarHBondContact O-N 2.92Å; T331-A333 VanDerWaalsContact O-N 3.09Å; T331-H363 CarbonylContact C-O 3.57Å; T331-H363 WeakPolarHBondContact CA-O 3.3Å; T331-H363 HydrophobicContact CG2-CB 3.87Å
332	N	66.9	Low	78.9	Confident	47 Å²	47	23.7 Å²	23.7	25%	0.251	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	23.6	179.2	-58.5	-67.6	0	0	0	114.8	H363 N364 G366 F410	N332-H363 PolarHBondContact N-O 2.86Å; N332-N364 CarbonylContact C-O 2.97Å; N332-N364 WeakPolarHBondContact CA-O 3.37Å; N332-G366 WeakPolarHBondContact OD1-CA 2.99Å; N332-F410 HydrophobicContact CB-CE2 4.31Å
333	A	73.6	Confident	79.7	Confident	1 Å²	1	18 Å²	18	1%	0.008	12%	0.123	C	C	.	.			trans	-95.4	-0.9	-173.3	0	0	0	0	0	113.9	N330 T331 C335 T336 N338 S339 N364	N330-A333 HydrophobicContact CB-CB 3.69Å; T331-A333 PolarHBondContact O-N 2.92Å; T331-A333 VanDerWaalsContact O-N 3.09Å; A333-C335 PolarHBondContact O-N 3.27Å; A333-T336 VanDerWaalsContact O-CB 3.26Å; A333-T336 WeakPolarHBondContact O-CB 2.96Å; A333-T336 VanDerWaalsContact O-CG2 3.23Å; A333-T336 WeakPolarHBondContact O-CG2 3.12Å; A333-T336 PolarHBondContact O-N 3.31Å; A333-T336 PolarHBondContact O-OG1 2.81Å; A333-N338 HydrophobicContact CB-CB 4.29Å; A333-N338 WeakPolarHBondContact CB-O 3.36Å; A333-S339 WeakPolarHBondContact O-CA 3.31Å; A333-S339 WeakPolarHBondContact O-CB 3.46Å; A333-S339 PolarHBondContact O-N 2.91Å; A333-S339 PolarHBondContact O-OG 2.82Å; A333-N364 PolarHBondContact N-O 2.8Å
334	M	84.1	Confident	80.4	Confident	5 Å²	5	15 Å²	15	3%	0.025	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	137.2	-179.5	-173.4	60	75.5	0	0	111.5	V227 D311 N312 T336 S339 M361 N364 L365 F410 L419	V227-M334 HydrophobicContact CG1-CE 4.13Å; V227-M334 HydrophobicContact CG1-SD 4.29Å; V227-M334 HydrophobicContact CG2-CE 4.21Å; D311-M334 HydrophobicContact CB-SD 4.5Å; N312-M334 HydrophobicContact CB-CE 4.04Å; N312-M334 HydrophobicContact CB-SD 3.8Å; M334-T336 PolarHBondContact O-N 2.83Å; M334-S339 WeakPolarHBondContact CA-OG 3.34Å; M334-M361 HydrophobicContact CE-CG 3.71Å; M334-M361 HydrophobicContact CE-SD 4.25Å; M334-N364 HydrophobicContact CB-CB 4.43Å; M334-N364 VanDerWaalsContact CB-O 3.28Å; M334-N364 WeakPolarHBondContact CB-O 3.43Å; M334-N364 HydrophobicContact CE-CB 4.15Å; M334-N364 PolarHBondContact N-O 2.77Å; M334-L365 HydrophobicContact CB-CD2 4.1Å; M334-L365 HydrophobicContact CE-CD1 4.25Å; M334-L365 HydrophobicContact CE-CD2 3.81Å; M334-L365 HydrophobicContact CE-CG 3.67Å; M334-L365 HydrophobicContact CG-CD2 3.77Å; M334-L365 HydrophobicContact CG-CG 4.49Å; M334-F410 HydrophobicContact CB-CE1 4.24Å; M334-F410 HydrophobicContact CB-CZ 4Å; M334-L419 HydrophobicContact CG-CD1 4.03Å; M334-L419 HydrophobicContact CG-CD2 4Å; M334-L419 HydrophobicContact CG-CG 4.35Å; M334-L419 HydrophobicContact SD-CD2 4.24Å
335	C	78.5	Confident	81.5	Confident	29 Å²	29	13 Å²	13	20%	0.196	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	6.2	-173.3	-53.3	0	0	0	0	116.4	A333 S339 P416 C418	A333-C335 PolarHBondContact O-N 3.27Å; C335-S339 PolarHBondContact N-OG 3.44Å; C335-P416 HydrophobicContact CB-CB 4.2Å; C335-P416 VanDerWaalsContact SG-CB 3.6Å; C335-C418 WeakPolarHBondContact CA-SG 3.31Å; C335-C418 HydrophobicContact CB-CB 3.79Å; C335-C418 WeakPolarHBondContact CB-SG 3.44Å; C335-C418 WeakPolarHBondContact SG-CB 3.03Å; C335-C418 CovalentContact SG-SG 2Å; C335-C418 PolarHBondContact SG-SG 3.05Å
336	T	69.7	Low	82.1	Confident	12 Å²	12	14.1 Å²	14.1	7%	0.074	8%	0.081	C	C	.	.	S	Bend	trans	-100.4	173.5	179.2	81.9	0	0	0	0	111.1	R300 A333 M334 N338 S339 Y617	R300-T336 PolarHBondContact NH1-O 2.92Å; A333-T336 VanDerWaalsContact O-CB 3.26Å; A333-T336 WeakPolarHBondContact O-CB 2.96Å; A333-T336 VanDerWaalsContact O-CG2 3.23Å; A333-T336 WeakPolarHBondContact O-CG2 3.12Å; A333-T336 PolarHBondContact O-N 3.31Å; A333-T336 PolarHBondContact O-OG1 2.81Å; M334-T336 PolarHBondContact O-N 2.83Å; T336-N338 PolarHBondContact O-N 3.17Å; T336-N338 PolarHBondContact OG1-N 3.5Å; T336-N338 VanDerWaalsContact OG1-N 3.15Å; T336-S339 WeakPolarHBondContact O-CB 3.48Å; T336-S339 PolarHBondContact O-N 3.12Å; T336-S339 VanDerWaalsContact O-N 3.1Å; T336-S339 PolarHBondContact OG1-N 3.12Å; T336-Y617 VanDerWaalsContact CB-OH 3.31Å; T336-Y617 WeakPolarHBondContact CB-OH 3.43Å; T336-Y617 HydrophobicContact CG2-CD1 4.4Å; T336-Y617 HydrophobicContact CG2-CE1 3.39Å; T336-Y617 HydrophobicContact CG2-CE2 4.35Å; T336-Y617 WeakPolarHBondContact CG2-OH 3.41Å
337	S	65.6	Low	81.9	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.007	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.8	170.4	59.2	0	0	0	0	114.1	R300 Q301 S339 D615	R300-S337 PolarHBondContact NH1-O 3.16Å; Q301-S337 PolarHBondContact NE2-O 3Å; S337-S339 VanDerWaalsContact C-N 3.27Å; S337-D615 VanDerWaalsContact CB-CG 3.4Å; S337-D615 WeakPolarHBondContact CB-OD1 3.42Å; S337-D615 PolarHBondContact OG-OD1 3.2Å; S337-D615 PolarHBondContact OG-OD2 2.99Å
338	N	72.4	Confident	81.6	Confident	19 Å²	19	18.2 Å²	18.2	10%	0.102	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	8.8	178.4	-66.1	-26.4	0	0	0	111.3	L297 Q301 A333 T336 G340	L297-N338 HydrophobicContact CD1-CB 4.28Å; Q301-N338 PolarHBondContact NE2-OD1 3.37Å; Q301-N338 VanDerWaalsContact NE2-OD1 3.11Å; A333-N338 HydrophobicContact CB-CB 4.29Å; A333-N338 WeakPolarHBondContact CB-O 3.36Å; T336-N338 PolarHBondContact O-N 3.17Å; T336-N338 PolarHBondContact OG1-N 3.5Å; T336-N338 VanDerWaalsContact OG1-N 3.15Å; N338-G340 VanDerWaalsContact C-N 3.32Å; N338-G340 PolarHBondContact O-N 2.87Å
339	S	84.8	Confident	81.5	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.			trans	-67.9	87.1	175.8	-169.4	0	0	0	0	110.8	R300 D311 N312 A313 A333 M334 C335 T336 S337	R300-S339 VanDerWaalsContact CZ-O 3.3Å; R300-S339 PolarHBondContact NE-O 2.96Å; D311-S339 WeakPolarHBondContact O-CB 3.45Å; D311-S339 PolarHBondContact O-OG 3.24Å; N312-S339 WeakPolarHBondContact CA-OG 3.49Å; N312-S339 PolarHBondContact ND2-OG 1.99Å; A313-S339 PolarHBondContact N-O 3.2Å; A333-S339 WeakPolarHBondContact O-CA 3.31Å; A333-S339 WeakPolarHBondContact O-CB 3.46Å; A333-S339 PolarHBondContact O-N 2.91Å; A333-S339 PolarHBondContact O-OG 2.82Å; M334-S339 WeakPolarHBondContact CA-OG 3.34Å; C335-S339 PolarHBondContact N-OG 3.44Å; T336-S339 WeakPolarHBondContact O-CB 3.48Å; T336-S339 PolarHBondContact O-N 3.12Å; T336-S339 VanDerWaalsContact O-N 3.1Å; T336-S339 PolarHBondContact OG1-N 3.12Å; S337-S339 VanDerWaalsContact C-N 3.27Å
340	G	90.1	Very high	81.6	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.4	179.5	174.7	0	0	0	0	0	113.5	N312 A313 N338 N364	N312-G340 PolarHBondContact ND2-N 2.9Å; A313-G340 CarbonylContact O-C 3.57Å; A313-G340 WeakPolarHBondContact O-CA 3.38Å; N338-G340 VanDerWaalsContact C-N 3.32Å; N338-G340 PolarHBondContact O-N 2.87Å; G340-N364 PolarHBondContact O-ND2 3.35Å
341	A	95.2	Very high	82.2	Confident	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	167.4	-180	0	0	0	0	0	112.1	A313 Q314 F315 L328 A329 E360	A313-A341 PolarHBondContact O-N 3.27Å; A313-A341 VanDerWaalsContact O-N 3.15Å; Q314-A341 VanDerWaalsContact OE1-CB 3.32Å; F315-A341 PolarHBondContact N-O 3.19Å; L328-A341 VanDerWaalsContact O-CA 3.31Å; L328-A341 WeakPolarHBondContact O-CA 3.49Å; L328-A341 WeakPolarHBondContact O-CB 3.4Å; A329-A341 HydrophobicContact CB-CB 3.62Å; A341-E360 HydrophobicContact CB-CB 3.53Å; A341-E360 HydrophobicContact CB-CG 4.16Å
342	V	95.7	Very high	82.7	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.9	170.2	-62.2	0	0	0	0	110	P289 T292 L293 F296 F315 F321 G327 L328	P289-V342 HydrophobicContact CB-CG2 4.27Å; T292-V342 HydrophobicContact CG2-CG1 4Å; L293-V342 HydrophobicContact CB-CG1 4.04Å; L293-V342 HydrophobicContact CB-CG2 4.05Å; L293-V342 HydrophobicContact CD1-CG1 4.05Å; F296-V342 HydrophobicContact CB-CG1 4.26Å; F296-V342 HydrophobicContact CD1-CG1 4.29Å; F315-V342 HydrophobicContact CB-CB 4.49Å; F315-V342 HydrophobicContact CB-CG1 4.03Å; F315-V342 HydrophobicContact CD1-CB 4.32Å; F315-V342 HydrophobicContact CD1-CG1 3.94Å; F315-V342 HydrophobicContact CG-CG1 4.38Å; F315-V342 CarbonylContact O-C 3.43Å; F321-V342 HydrophobicContact CE2-CG2 4.2Å; F321-V342 HydrophobicContact CZ-CB 4.15Å; F321-V342 HydrophobicContact CZ-CG2 4Å; G327-V342 CarbonylContact C-O 3.6Å; G327-V342 WeakPolarHBondContact CA-O 3.27Å; L328-V342 HydrophobicContact CB-CG2 4.01Å; L328-V342 PolarHBondContact N-O 3.41Å; L328-V342 PolarHBondContact O-N 2.95Å
343	N	96.1	Very high	83.8	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	121	-172.9	-52.4	-91.8	0	0	0	109.7	Q314 F315 I316 T317 V353 T356 I357 E360	Q314-N343 PolarHBondContact OE1-ND2 3.48Å; F315-N343 WeakPolarHBondContact O-CB 3.47Å; F315-N343 PolarHBondContact O-N 2.92Å; F315-N343 PolarHBondContact O-ND2 2.97Å; F315-N343 VanDerWaalsContact O-ND2 3.12Å; I316-N343 WeakPolarHBondContact CA-O 3.3Å; T317-N343 PolarHBondContact N-O 3.02Å; N343-V353 HydrophobicContact CB-CG2 4.29Å; N343-T356 HydrophobicContact CB-CG2 4.1Å; N343-T356 WeakPolarHBondContact OD1-CG2 3.33Å; N343-I357 HydrophobicContact CB-CG1 4.21Å; N343-I357 WeakPolarHBondContact OD1-CA 3.26Å; N343-I357 WeakPolarHBondContact OD1-CG1 3.17Å; N343-I357 PolarHBondContact OD1-N 3.13Å; N343-E360 WeakPolarHBondContact OD1-CG 3.4Å
344	E	92.9	Very high	84.6	Confident	4 Å²	4	9.9 Å²	9.9	2%	0.019	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.7	169.5	179.6	-175.8	132.3	0	0	109.4	K183 F321 V326 H346	K183-E344 IonicContact NZ-OE1 3.1Å; F321-E344 HydrophobicContact CD2-CB 3.82Å; F321-E344 HydrophobicContact CE2-CB 4.06Å; F321-E344 PolarHBondContact N-OE2 3.13Å; V326-E344 HydrophobicContact CB-CB 4.41Å; V326-E344 PolarHBondContact O-N 3.49Å; E344-H346 HydrophobicContact CG-CB 4.14Å; E344-H346 PolarHBondContact O-CD2 3.06Å; E344-H346 VanDerWaalsContact O-CD2 3.29Å; E344-H346 PolarHBondContact O-N 3.32Å; E344-H346 WeakPolarHBondContact OE1-CB 3.01Å
345	D	92.2	Very high	84.8	Confident	8 Å²	8	10.1 Å²	10.1	4%	0.043	6%	0.059	C	C	.	.			trans	-80.8	67.8	170.2	-169	33.6	0	0	0	112.2	E237 K240 Y241 R250 I316 T317 N347	E237-D345 WeakPolarHBondContact OE1-CB 3.4Å; E237-D345 VanDerWaalsContact OE1-CG 3.26Å; K240-D345 PolarHBondContact NZ-O 3.22Å; K240-D345 IonicContact NZ-OD2 3.31Å; K240-D345 PolarHBondContact NZ-OD2 2.93Å; Y241-D345 PolarHBondContact OH-OD2 3.39Å; R250-D345 IonicContact CZ-OD1 2.91Å; R250-D345 IonicContact CZ-OD2 3.59Å; R250-D345 VanDerWaalsContact CZ-OD2 3.25Å; R250-D345 IonicContact NE-OD1 3.2Å; R250-D345 IonicContact NE-OD2 3.93Å; R250-D345 PolarHBondContact NE-OD2 3.12Å; R250-D345 VanDerWaalsContact NE-OD2 3.11Å; R250-D345 IonicContact NH2-OD1 3.37Å; R250-D345 PolarHBondContact NH2-OD1 3.2Å; R250-D345 IonicContact NH2-OD2 3.88Å; R250-D345 PolarHBondContact NH2-OD2 2.87Å; I316-D345 HydrophobicContact CG2-CB 4.12Å; T317-D345 PolarHBondContact O-N 3.45Å; D345-N347 PolarHBondContact O-N 2.97Å; D345-N347 VanDerWaalsContact O-N 3.15Å
346	H	85.1	Confident	85.4	Confident	31 Å²	31	8.9 Å²	8.9	14%	0.144	5%	0.051	C	C	.	.			trans	-72.7	-0.9	-171.5	64.4	87.7	0	0	0	115.2	V326 E344 G352 T356	V326-H346 HydrophobicContact CG1-CB 3.84Å; E344-H346 HydrophobicContact CG-CB 4.14Å; E344-H346 PolarHBondContact O-CD2 3.06Å; E344-H346 VanDerWaalsContact O-CD2 3.29Å; E344-H346 PolarHBondContact O-N 3.32Å; E344-H346 WeakPolarHBondContact OE1-CB 3.01Å; H346-G352 PolarHBondContact NE2-O 3.17Å; H346-T356 PolarHBondContact NE2-OG1 2.98Å
347	N	80.9	Confident	86.6	Confident	12 Å²	12	8.4 Å²	8.4	6%	0.064	5%	0.048	C	C	.	.			trans	-146.7	142.8	-178.3	-154	-68.6	0	0	0	113.1	L180 R250 D345 N349 Y395	L180-N347 VanDerWaalsContact CD2-ND2 3.33Å; L180-N347 WeakPolarHBondContact CD2-ND2 3.05Å; R250-N347 PolarHBondContact NH2-O 2.95Å; D345-N347 PolarHBondContact O-N 2.97Å; D345-N347 VanDerWaalsContact O-N 3.15Å; N347-N349 PolarHBondContact O-N 3.15Å; N347-N349 WeakPolarHBondContact OD1-CB 3.17Å; N347-N349 PolarHBondContact OD1-N 3.39Å; N347-Y395 PolarHBondContact ND2-OH 3.07Å
348	T	78.9	Confident	87.9	Confident	75 Å²	75	8.3 Å²	8.3	46%	0.46	5%	0.047	S	C	.	.	S	Bend	trans	-62.8	-31	173.7	54.4	0	0	0	0	112.2	R250	R250-T348 PolarHBondContact NH1-O 3.18Å
349	N	81.6	Confident	88.8	Confident	3 Å²	3	7.7 Å²	7.7	2%	0.016	4%	0.044	C	C	.	.	S	Bend	trans	-77.8	126.4	174.1	-166.1	-61	0	0	0	111.1	L180 N347 I351 G352	L180-N349 HydrophobicContact CD1-CB 4.44Å; L180-N349 HydrophobicContact CD2-CB 4.38Å; N347-N349 PolarHBondContact O-N 3.15Å; N347-N349 WeakPolarHBondContact OD1-CB 3.17Å; N347-N349 PolarHBondContact OD1-N 3.39Å; N349-I351 PolarHBondContact O-N 3.44Å; N349-I351 VanDerWaalsContact O-N 3.15Å; N349-I351 VanDerWaalsContact OD1-CB 3.31Å; N349-I351 WeakPolarHBondContact OD1-CB 3.28Å; N349-I351 WeakPolarHBondContact OD1-CD1 3.15Å; N349-I351 WeakPolarHBondContact OD1-CG1 3.48Å; N349-I351 PolarHBondContact OD1-N 2.79Å; N349-G352 PolarHBondContact O-N 3Å
350	S	86.7	Confident	89.2	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-54.6	-29	-179.7	51.9	0	0	0	0	113.7	E253 H257 G352 V353 A354	E253-S350 WeakPolarHBondContact OE1-CB 3.46Å; E253-S350 PolarHBondContact OE1-OG 2.63Å; H257-S350 PolarHBondContact NE2-OG 3.16Å; S350-G352 PolarHBondContact O-N 2.8Å; S350-V353 WeakPolarHBondContact O-CG1 3.46Å; S350-V353 PolarHBondContact O-N 3.16Å; S350-A354 VanDerWaalsContact O-CB 3.31Å; S350-A354 WeakPolarHBondContact O-CB 3.24Å; S350-A354 PolarHBondContact O-N 3.3Å
351	I	82.8	Confident	89.5	Confident	7 Å²	7	7.9 Å²	7.9	4%	0.036	4%	0.044	C	C	.	.	H	α-helix	trans	-64.1	-28.1	179.3	-64.4	160.8	0	0	0	111.3	F141 L150 N349 S355 Y395	F141-I351 HydrophobicContact CB-CD1 3.66Å; F141-I351 HydrophobicContact CD1-CD1 3.92Å; F141-I351 HydrophobicContact CD1-CG1 4.17Å; F141-I351 HydrophobicContact CG-CD1 4.24Å; L150-I351 HydrophobicContact CD2-CD1 3.2Å; N349-I351 PolarHBondContact O-N 3.44Å; N349-I351 VanDerWaalsContact O-N 3.15Å; N349-I351 VanDerWaalsContact OD1-CB 3.31Å; N349-I351 WeakPolarHBondContact OD1-CB 3.28Å; N349-I351 WeakPolarHBondContact OD1-CD1 3.15Å; N349-I351 WeakPolarHBondContact OD1-CG1 3.48Å; N349-I351 PolarHBondContact OD1-N 2.79Å; I351-S355 WeakPolarHBondContact O-CB 3.49Å; I351-S355 PolarHBondContact O-N 3.3Å; I351-S355 PolarHBondContact O-OG 2.71Å; I351-Y395 HydrophobicContact CB-CD2 4.45Å; I351-Y395 HydrophobicContact CG2-CD1 4.21Å; I351-Y395 HydrophobicContact CG2-CD2 3.69Å; I351-Y395 HydrophobicContact CG2-CE2 4.22Å; I351-Y395 HydrophobicContact CG2-CG 3.7Å
352	G	83.5	Confident	89.4	Confident	1 Å²	1	7.9 Å²	7.9	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-59.2	-58.7	176.1	0	0	0	0	0	111.9	H346 N349 S350 S355 T356	H346-G352 PolarHBondContact NE2-O 3.17Å; N349-G352 PolarHBondContact O-N 3Å; S350-G352 PolarHBondContact O-N 2.8Å; G352-S355 PolarHBondContact O-N 3.44Å; G352-T356 PolarHBondContact O-N 3Å; G352-T356 PolarHBondContact O-OG1 3.42Å
353	V	89.5	Confident	88.7	Confident	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70.7	-33	178.7	66.5	0	0	0	0	112.1	V254 I316 N343 S350 S355 T356 I357	V254-V353 HydrophobicContact CB-CG1 4.46Å; V254-V353 HydrophobicContact CG1-CG1 4.19Å; V254-V353 HydrophobicContact CG2-CG1 3.37Å; I316-V353 HydrophobicContact CD1-CG2 4.33Å; I316-V353 HydrophobicContact CG1-CG2 4.32Å; I316-V353 HydrophobicContact CG2-CG2 4.24Å; N343-V353 HydrophobicContact CB-CG2 4.29Å; S350-V353 WeakPolarHBondContact O-CG1 3.46Å; S350-V353 PolarHBondContact O-N 3.16Å; V353-S355 VanDerWaalsContact C-N 3.32Å; V353-S355 PolarHBondContact O-N 3.38Å; V353-T356 WeakPolarHBondContact O-CB 3.46Å; V353-T356 PolarHBondContact O-N 3.47Å; V353-I357 HydrophobicContact CG2-CD1 4.14Å; V353-I357 HydrophobicContact CG2-CG1 4.48Å; V353-I357 WeakPolarHBondContact O-CG1 3.47Å; V353-I357 PolarHBondContact O-N 2.67Å
354	A	91.1	Very high	88.3	Confident	1 Å²	1	8.5 Å²	8.5	1%	0.008	5%	0.047	C	C	.	.	H	α-helix	trans	-61.9	-39.1	173.9	0	0	0	0	0	112.5	V254 H257 V258 S350 I357 A358	V254-A354 HydrophobicContact CG1-CB 4.05Å; H257-A354 HydrophobicContact CB-CB 3.67Å; V258-A354 HydrophobicContact CG2-CB 4.01Å; V258-A354 WeakPolarHBondContact CG2-O 3.39Å; S350-A354 VanDerWaalsContact O-CB 3.31Å; S350-A354 WeakPolarHBondContact O-CB 3.24Å; S350-A354 PolarHBondContact O-N 3.3Å; A354-I357 PolarHBondContact O-N 3.16Å; A354-A358 WeakPolarHBondContact O-CB 3.47Å; A354-A358 PolarHBondContact O-N 2.82Å
355	S	87.8	Confident	88	Confident	9 Å²	9	8.3 Å²	8.3	6%	0.063	5%	0.046	C	C	.	.	H	α-helix	trans	-66.1	-40	175.1	-58.5	0	0	0	0	111.4	I351 G352 V353 A358 H359	I351-S355 WeakPolarHBondContact O-CB 3.49Å; I351-S355 PolarHBondContact O-N 3.3Å; I351-S355 PolarHBondContact O-OG 2.71Å; G352-S355 PolarHBondContact O-N 3.44Å; V353-S355 VanDerWaalsContact C-N 3.32Å; V353-S355 PolarHBondContact O-N 3.38Å; S355-A358 PolarHBondContact O-N 3.31Å; S355-H359 WeakPolarHBondContact O-CB 3.46Å; S355-H359 PolarHBondContact O-N 3.39Å
356	T	90.1	Very high	87.2	Confident	4 Å²	4	8.5 Å²	8.5	3%	0.025	5%	0.05	C	C	.	.	H	α-helix	trans	-61.8	-51.1	174.2	-53	0	0	0	0	110.4	V326 N343 H346 G352 V353 A358 H359 E360	V326-T356 HydrophobicContact CG2-CG2 4.27Å; V326-T356 VanDerWaalsContact O-CG2 3.32Å; V326-T356 WeakPolarHBondContact O-CG2 3.36Å; N343-T356 HydrophobicContact CB-CG2 4.1Å; N343-T356 WeakPolarHBondContact OD1-CG2 3.33Å; H346-T356 PolarHBondContact NE2-OG1 2.98Å; G352-T356 PolarHBondContact O-N 3Å; G352-T356 PolarHBondContact O-OG1 3.42Å; V353-T356 WeakPolarHBondContact O-CB 3.46Å; V353-T356 PolarHBondContact O-N 3.47Å; T356-A358 VanDerWaalsContact C-N 3.28Å; T356-A358 PolarHBondContact O-N 2.76Å; T356-H359 WeakPolarHBondContact O-CA 3.47Å; T356-H359 VanDerWaalsContact O-CB 3.31Å; T356-H359 WeakPolarHBondContact O-CB 3.38Å; T356-H359 PolarHBondContact O-N 2.82Å; T356-E360 HydrophobicContact CG2-CG 4.13Å; T356-E360 WeakPolarHBondContact O-CG 3.39Å; T356-E360 PolarHBondContact O-N 2.66Å
357	I	95.5	Very high	87.2	Confident	1 Å²	1	7 Å²	7	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-58.3	-41.8	178.4	-72.3	167.2	0	0	0	111.3	V254 V258 Q314 I316 N343 V353 A354 H359 E360 M361	V254-I357 HydrophobicContact CG1-CD1 3.57Å; V258-I357 HydrophobicContact CG1-CG2 4.28Å; V258-I357 HydrophobicContact CG2-CB 4.08Å; V258-I357 HydrophobicContact CG2-CG2 3.8Å; Q314-I357 HydrophobicContact CB-CG1 4.45Å; Q314-I357 HydrophobicContact CG-CG2 3.87Å; I316-I357 HydrophobicContact CD1-CD1 3.94Å; I316-I357 HydrophobicContact CG1-CD1 4.16Å; N343-I357 HydrophobicContact CB-CG1 4.21Å; N343-I357 WeakPolarHBondContact OD1-CA 3.26Å; N343-I357 WeakPolarHBondContact OD1-CG1 3.17Å; N343-I357 PolarHBondContact OD1-N 3.13Å; V353-I357 HydrophobicContact CG2-CD1 4.14Å; V353-I357 HydrophobicContact CG2-CG1 4.48Å; V353-I357 WeakPolarHBondContact O-CG1 3.47Å; V353-I357 PolarHBondContact O-N 2.67Å; A354-I357 PolarHBondContact O-N 3.16Å; I357-H359 VanDerWaalsContact C-N 3.3Å; I357-H359 PolarHBondContact O-N 2.04Å; I357-E360 PolarHBondContact O-N 3.29Å; I357-M361 WeakPolarHBondContact O-CB 3.29Å; I357-M361 PolarHBondContact O-N 3.24Å
358	A	94.1	Very high	87	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66	-33.1	177.4	0	0	0	0	0	113	L261 Y262 A354 S355 T356 G362 I386	L261-A358 HydrophobicContact CD1-CB 3.77Å; Y262-A358 HydrophobicContact CE2-CB 3.95Å; Y262-A358 PolarHBondContact OH-O 3.17Å; A354-A358 WeakPolarHBondContact O-CB 3.47Å; A354-A358 PolarHBondContact O-N 2.82Å; S355-A358 PolarHBondContact O-N 3.31Å; T356-A358 VanDerWaalsContact C-N 3.28Å; T356-A358 PolarHBondContact O-N 2.76Å; A358-G362 PolarHBondContact O-N 3.06Å; A358-G362 VanDerWaalsContact O-N 3.16Å; A358-I386 HydrophobicContact CB-CG2 4.11Å
359	H	90.6	Very high	86.9	Confident	6 Å²	6	7.7 Å²	7.7	3%	0.028	5%	0.048	C	C	.	.	H	α-helix	trans	-68.2	-51.8	173.3	-177.8	102.9	0	0	0	111.3	S355 T356 I357 G362 H363 H369 I386 A388	S355-H359 WeakPolarHBondContact O-CB 3.46Å; S355-H359 PolarHBondContact O-N 3.39Å; T356-H359 WeakPolarHBondContact O-CA 3.47Å; T356-H359 VanDerWaalsContact O-CB 3.31Å; T356-H359 WeakPolarHBondContact O-CB 3.38Å; T356-H359 PolarHBondContact O-N 2.82Å; I357-H359 VanDerWaalsContact C-N 3.3Å; I357-H359 PolarHBondContact O-N 2.04Å; H359-G362 VanDerWaalsContact O-CA 3.28Å; H359-G362 WeakPolarHBondContact O-CA 3.35Å; H359-G362 PolarHBondContact O-N 3.39Å; H359-H363 AromaticContact CD2-CD2 3.93Å; H359-H363 AromaticContact CD2-NE2 3.8Å; H359-H363 AromaticContact NE2-CD2 3.98Å; H359-H363 AromaticContact NE2-NE2 3.35Å; H359-H363 PolarHBondContact NE2-NE2 3.1Å; H359-H363 PolarHBondContact O-N 3.35Å; H359-H363 VanDerWaalsContact O-N 3.12Å; H359-H369 AromaticContact CE1-CD2 3.55Å; H359-H369 AromaticContact CE1-NE2 3.49Å; H359-H369 PolarHBondContact CE1-NE2 3.28Å; H359-H369 AromaticContact NE2-CD2 3.59Å; H359-H369 AromaticContact NE2-NE2 3.16Å; H359-H369 PolarHBondContact NE2-NE2 3.04Å; H359-H369 VanDerWaalsContact NE2-NE2 3.16Å; H359-I386 HydrophobicContact CB-CG2 4.41Å; H359-I386 PolarHBondContact ND1-O 2.78Å; H359-A388 PolarHBondContact CE1-O 3.44Å
360	E	93.9	Very high	86.6	Confident	3 Å²	3	8.1 Å²	8.1	1%	0.014	5%	0.05	C	C	.	.	H	α-helix	trans	-67.2	-39.9	-177	-64.5	-42.6	141.8	0	0	112.7	G327 L328 A329 A341 N343 T356 I357 G362 H363 N364	G327-E360 VanDerWaalsContact C-CD 3.46Å; G327-E360 VanDerWaalsContact C-OE1 3.24Å; G327-E360 WeakPolarHBondContact CA-OE1 3.37Å; L328-E360 VanDerWaalsContact CA-OE2 3.26Å; L328-E360 WeakPolarHBondContact CA-OE2 3.28Å; L328-E360 PolarHBondContact N-OE2 2.91Å; A329-E360 HydrophobicContact CB-CB 3.89Å; A329-E360 WeakPolarHBondContact CB-O 3.22Å; A329-E360 WeakPolarHBondContact CB-OE2 3.13Å; A329-E360 PolarHBondContact N-OE2 2.91Å; A341-E360 HydrophobicContact CB-CB 3.53Å; A341-E360 HydrophobicContact CB-CG 4.16Å; N343-E360 WeakPolarHBondContact OD1-CG 3.4Å; T356-E360 HydrophobicContact CG2-CG 4.13Å; T356-E360 WeakPolarHBondContact O-CG 3.39Å; T356-E360 PolarHBondContact O-N 2.66Å; I357-E360 PolarHBondContact O-N 3.29Å; E360-G362 PolarHBondContact O-N 2.99Å; E360-H363 WeakPolarHBondContact O-CB 3.24Å; E360-H363 PolarHBondContact O-N 3.35Å; E360-H363 VanDerWaalsContact O-N 3.16Å; E360-H363 IonicContact OE2-CD2 3.34Å; E360-N364 PolarHBondContact O-N 3.29Å; E360-N364 VanDerWaalsContact O-N 3.11Å
361	M	95.6	Very high	85.8	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.1	-27.9	171.1	-172.6	165.8	65.9	0	0	111.6	V227 V258 Y262 V269 M334 I357 N364 L365	V227-M361 HydrophobicContact CG1-SD 3.96Å; V258-M361 HydrophobicContact CG1-CE 3.62Å; Y262-M361 HydrophobicContact CD2-CE 3.59Å; Y262-M361 HydrophobicContact CE1-CE 4.35Å; Y262-M361 HydrophobicContact CE2-CE 3.09Å; Y262-M361 HydrophobicContact CG-CE 4.37Å; Y262-M361 VanDerWaalsContact OH-C 3.27Å; Y262-M361 WeakPolarHBondContact OH-CB 3.45Å; V269-M361 HydrophobicContact CG1-CE 4.27Å; V269-M361 HydrophobicContact CG2-CE 3.65Å; M334-M361 HydrophobicContact CE-CG 3.71Å; M334-M361 HydrophobicContact CE-SD 4.25Å; I357-M361 WeakPolarHBondContact O-CB 3.29Å; I357-M361 PolarHBondContact O-N 3.24Å; M361-N364 WeakPolarHBondContact O-CB 3.43Å; M361-N364 PolarHBondContact O-N 2.95Å; M361-L365 HydrophobicContact CG-CD1 4.37Å; M361-L365 WeakPolarHBondContact O-CG 3.38Å; M361-L365 PolarHBondContact O-N 2.04Å
362	G	92.1	Very high	85	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-45.5	169.7	0	0	0	0	0	111.7	Y262 A358 H359 E360 N364 L365 G366 L367	Y262-G362 WeakPolarHBondContact OH-CA 3.45Å; Y262-G362 PolarHBondContact OH-N 3.5Å; A358-G362 PolarHBondContact O-N 3.06Å; A358-G362 VanDerWaalsContact O-N 3.16Å; H359-G362 VanDerWaalsContact O-CA 3.28Å; H359-G362 WeakPolarHBondContact O-CA 3.35Å; H359-G362 PolarHBondContact O-N 3.39Å; E360-G362 PolarHBondContact O-N 2.99Å; G362-N364 PolarHBondContact O-N 2.92Å; G362-L365 CarbonylContact O-C 3.59Å; G362-L365 WeakPolarHBondContact O-CA 3.12Å; G362-L365 PolarHBondContact O-N 3.18Å; G362-L365 VanDerWaalsContact O-N 3.12Å; G362-G366 PolarHBondContact O-N 3.21Å; G362-L367 WeakPolarHBondContact O-CB 3.3Å; G362-L367 VanDerWaalsContact O-CG 3.27Å; G362-L367 WeakPolarHBondContact O-CG 2.96Å; G362-L367 PolarHBondContact O-N 2.81Å
363	H	82.1	Confident	84.3	Confident	13 Å²	13	25.4 Å²	25.4	6%	0.06	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-47.3	171.2	-74	-44	0	0	0	111.8	A329 T331 N332 H359 E360 L365 G366 L367 H369	A329-H363 HydrophobicContact CB-CB 3.82Å; T331-H363 CarbonylContact C-O 3.57Å; T331-H363 WeakPolarHBondContact CA-O 3.3Å; T331-H363 HydrophobicContact CG2-CB 3.87Å; N332-H363 PolarHBondContact N-O 2.86Å; H359-H363 AromaticContact CD2-CD2 3.93Å; H359-H363 AromaticContact CD2-NE2 3.8Å; H359-H363 AromaticContact NE2-CD2 3.98Å; H359-H363 AromaticContact NE2-NE2 3.35Å; H359-H363 PolarHBondContact NE2-NE2 3.1Å; H359-H363 PolarHBondContact O-N 3.35Å; H359-H363 VanDerWaalsContact O-N 3.12Å; E360-H363 WeakPolarHBondContact O-CB 3.24Å; E360-H363 PolarHBondContact O-N 3.35Å; E360-H363 VanDerWaalsContact O-N 3.16Å; E360-H363 IonicContact OE2-CD2 3.34Å; H363-L365 PolarHBondContact O-N 3.48Å; H363-L365 VanDerWaalsContact O-N 3.17Å; H363-G366 WeakPolarHBondContact O-CA 3.07Å; H363-G366 PolarHBondContact O-N 2.82Å; H363-L367 PolarHBondContact ND1-O 3.3Å; H363-H369 AromaticContact CE1-CD2 3.5Å; H363-H369 PolarHBondContact CE1-CD2 3.48Å; H363-H369 VanDerWaalsContact CE1-CD2 3.5Å; H363-H369 AromaticContact CE1-NE2 3.61Å; H363-H369 AromaticContact NE2-CD2 3.65Å; H363-H369 AromaticContact NE2-NE2 3.32Å; H363-H369 PolarHBondContact NE2-NE2 2.79Å
364	N	87.5	Confident	83.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.5	-36.4	176.1	-60.7	149.4	0	0	0	111.9	N312 N330 N332 A333 M334 G340 E360 M361 G362 G366	N312-N364 PolarHBondContact ND2-OD1 3.3Å; N330-N364 WeakPolarHBondContact O-CA 3.42Å; N330-N364 PolarHBondContact O-N 2.89Å; N330-N364 PolarHBondContact O-ND2 3.13Å; N332-N364 CarbonylContact C-O 2.97Å; N332-N364 WeakPolarHBondContact CA-O 3.37Å; A333-N364 PolarHBondContact N-O 2.8Å; M334-N364 HydrophobicContact CB-CB 4.43Å; M334-N364 VanDerWaalsContact CB-O 3.28Å; M334-N364 WeakPolarHBondContact CB-O 3.43Å; M334-N364 HydrophobicContact CE-CB 4.15Å; M334-N364 PolarHBondContact N-O 2.77Å; G340-N364 PolarHBondContact O-ND2 3.35Å; E360-N364 PolarHBondContact O-N 3.29Å; E360-N364 VanDerWaalsContact O-N 3.11Å; M361-N364 WeakPolarHBondContact O-CB 3.43Å; M361-N364 PolarHBondContact O-N 2.95Å; G362-N364 PolarHBondContact O-N 2.92Å; N364-G366 PolarHBondContact O-N 3.22Å
365	L	87.5	Confident	82.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	13.9	174.5	-71.3	165.4	0	0	0	114.7	Y262 M334 M361 G362 H363 L407 F410 L419	Y262-L365 HydrophobicContact CD1-CD1 4.36Å; Y262-L365 HydrophobicContact CE1-CD1 3.5Å; Y262-L365 VanDerWaalsContact CE1-CD1 3.5Å; M334-L365 HydrophobicContact CB-CD2 4.1Å; M334-L365 HydrophobicContact CE-CD1 4.25Å; M334-L365 HydrophobicContact CE-CD2 3.81Å; M334-L365 HydrophobicContact CE-CG 3.67Å; M334-L365 HydrophobicContact CG-CD2 3.77Å; M334-L365 HydrophobicContact CG-CG 4.49Å; M361-L365 HydrophobicContact CG-CD1 4.37Å; M361-L365 WeakPolarHBondContact O-CG 3.38Å; M361-L365 PolarHBondContact O-N 2.04Å; G362-L365 CarbonylContact O-C 3.59Å; G362-L365 WeakPolarHBondContact O-CA 3.12Å; G362-L365 PolarHBondContact O-N 3.18Å; G362-L365 VanDerWaalsContact O-N 3.12Å; H363-L365 PolarHBondContact O-N 3.48Å; H363-L365 VanDerWaalsContact O-N 3.17Å; L365-L407 HydrophobicContact CB-CD1 3.93Å; L365-L407 HydrophobicContact CD1-CD1 4.24Å; L365-L407 HydrophobicContact CD2-CD1 4.31Å; L365-L407 HydrophobicContact CG-CD1 4.4Å; L365-F410 HydrophobicContact CD2-CD1 4.36Å; L365-F410 HydrophobicContact CD2-CE1 4.01Å; L365-F410 WeakPolarHBondContact O-CB 3.39Å; L365-F410 WeakPolarHBondContact O-CD1 3.27Å; L365-F410 WeakPolarHBondContact O-CD2 3.4Å; L365-F410 WeakPolarHBondContact O-CG 3.36Å; L365-L419 HydrophobicContact CD2-CD1 3.93Å
366	G	74.8	Confident	81.7	Confident	12 Å²	12	28.7 Å²	28.7	12%	0.124	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	13.6	174	0	0	0	0	0	115.4	N332 G362 H363 N364	N332-G366 WeakPolarHBondContact OD1-CA 2.99Å; G362-G366 PolarHBondContact O-N 3.21Å; H363-G366 WeakPolarHBondContact O-CA 3.07Å; H363-G366 PolarHBondContact O-N 2.82Å; N364-G366 PolarHBondContact O-N 3.22Å
367	L	84.1	Confident	80.4	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-81.3	134.5	178	-53.6	-177.4	0	0	0	111.1	G362 H363 M387 F399 S403 Q406 L407	G362-L367 WeakPolarHBondContact O-CB 3.3Å; G362-L367 VanDerWaalsContact O-CG 3.27Å; G362-L367 WeakPolarHBondContact O-CG 2.96Å; G362-L367 PolarHBondContact O-N 2.81Å; H363-L367 PolarHBondContact ND1-O 3.3Å; L367-M387 HydrophobicContact CB-CE 3.89Å; L367-M387 HydrophobicContact CB-CG 4.06Å; L367-M387 HydrophobicContact CB-SD 4.02Å; L367-M387 HydrophobicContact CD1-CG 4.03Å; L367-M387 HydrophobicContact CD1-SD 4.06Å; L367-F399 HydrophobicContact CD1-CD1 3.95Å; L367-F399 HydrophobicContact CD1-CE1 3.72Å; L367-S403 WeakPolarHBondContact CD2-O 3.49Å; L367-Q406 HydrophobicContact CD2-CB 3.56Å; L367-L407 HydrophobicContact CD2-CB 3.98Å
368	S	76.5	Confident	78.4	Confident	64 Å²	64	34.6 Å²	34.6	45%	0.448	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-94.9	164.4	167.9	-57.2	0	0	0	0	111.1
369	H	78.4	Confident	76.4	Confident	37 Å²	37	39.9 Å²	39.9	17%	0.171	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-58.2	148.1	173.3	-68.7	166.9	0	0	0	112.8	H189 H359 H363 M387 E389	H189-H369 AromaticContact CE1-CE1 3.5Å; H189-H369 PolarHBondContact CE1-CE1 3.36Å; H189-H369 VanDerWaalsContact CE1-CE1 3.5Å; H189-H369 AromaticContact ND1-CE1 3.91Å; H359-H369 AromaticContact CE1-CD2 3.55Å; H359-H369 AromaticContact CE1-NE2 3.49Å; H359-H369 PolarHBondContact CE1-NE2 3.28Å; H359-H369 AromaticContact NE2-CD2 3.59Å; H359-H369 AromaticContact NE2-NE2 3.16Å; H359-H369 PolarHBondContact NE2-NE2 3.04Å; H359-H369 VanDerWaalsContact NE2-NE2 3.16Å; H363-H369 AromaticContact CE1-CD2 3.5Å; H363-H369 PolarHBondContact CE1-CD2 3.48Å; H363-H369 VanDerWaalsContact CE1-CD2 3.5Å; H363-H369 AromaticContact CE1-NE2 3.61Å; H363-H369 AromaticContact NE2-CD2 3.65Å; H363-H369 AromaticContact NE2-NE2 3.32Å; H363-H369 PolarHBondContact NE2-NE2 2.79Å; H369-M387 CarbonylContact C-O 3.53Å; H369-M387 WeakPolarHBondContact CA-O 3.46Å; H369-E389 HydrophobicContact CB-CB 4.49Å
370	D	75.5	Confident	74.3	Confident	11 Å²	11	44.3 Å²	44.3	6%	0.059	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-70.6	132.1	177.9	-77	-36.6	0	0	0	112.6	C374 C385 M387 S400 S403	D370-C374 HydrophobicContact CB-CB 3.82Å; D370-C385 WeakPolarHBondContact OD2-CB 3.39Å; D370-M387 PolarHBondContact N-O 2.88Å; D370-S400 WeakPolarHBondContact OD1-CB 3.43Å; D370-S400 PolarHBondContact OD1-OG 2.91Å; D370-S400 WeakPolarHBondContact OD2-CB 3.39Å; D370-S400 PolarHBondContact OD2-OG 2.8Å; D370-S403 PolarHBondContact OD1-OG 2.91Å
371	T	69.1	Low	72.2	Confident	68 Å²	68	46.4 Å²	46.4	42%	0.417	29%	0.288	S	S	.	.			trans	-93.4	-179.3	177	68.3	0	0	0	0	112.1	N373 C374 K382	T371-N373 PolarHBondContact O-N 3.42Å; T371-N373 VanDerWaalsContact O-N 3.15Å; T371-C374 PolarHBondContact N-SG 3.41Å; T371-C374 PolarHBondContact O-N 3.31Å; T371-C374 VanDerWaalsContact O-N 3.12Å; T371-C374 PolarHBondContact OG1-SG 3.46Å; T371-K382 VanDerWaalsContact C-CE 3.43Å; T371-K382 WeakPolarHBondContact O-CE 3.41Å
372	E	64.8	Low	70	Confident	162 Å²	162	50.3 Å²	50.3	76%	0.757	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.6	-177.9	-69.5	-176.1	177.6	0	0	114.8	K382	E372-K382 VanDerWaalsContact N-CE 3.25Å
373	N	69.1	Low	68.2	Low	142 Å²	142	57 Å²	57	76%	0.759	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.1	-177.6	-58.4	-25.8	0	0	0	112.9	T371	T371-N373 PolarHBondContact O-N 3.42Å; T371-N373 VanDerWaalsContact O-N 3.15Å
374	C	72.6	Confident	67.4	Low	6 Å²	6	57 Å²	57	4%	0.041	34%	0.338	C	S	.	.			trans	-89	121.3	-178.7	-60.1	0	0	0	0	110	D370 T371 C402	D370-C374 HydrophobicContact CB-CB 3.82Å; T371-C374 PolarHBondContact N-SG 3.41Å; T371-C374 PolarHBondContact O-N 3.31Å; T371-C374 VanDerWaalsContact O-N 3.12Å; T371-C374 PolarHBondContact OG1-SG 3.46Å; C374-C402 WeakPolarHBondContact CA-SG 3.3Å; C374-C402 HydrophobicContact CB-CB 3.78Å; C374-C402 WeakPolarHBondContact CB-SG 3.45Å; C374-C402 WeakPolarHBondContact SG-CB 3.41Å; C374-C402 CovalentContact SG-SG 2.04Å; C374-C402 PolarHBondContact SG-SG 2.72Å
375	V	71	Confident	67	Low	60 Å²	60	57.1 Å²	57.1	36%	0.364	34%	0.339	S	S	.	.			trans	-117.3	139.9	-174	-173.3	0	0	0	0	109.8	S400 S401	V375-S400 WeakPolarHBondContact O-CA 3.06Å; V375-S400 WeakPolarHBondContact O-CB 3.3Å; V375-S401 PolarHBondContact O-N 2.86Å; V375-S401 VanDerWaalsContact O-N 3.14Å
376	C	70.8	Confident	67	Low	13 Å²	13	57.3 Å²	57.3	9%	0.088	34%	0.34	C	S	.	.			trans	-135.6	134.4	168.8	66	0	0	0	0	109.2	G384 C385 Q398	C376-G384 VanDerWaalsContact SG-C 3.56Å; C376-C385 HydrophobicContact CB-CB 3.9Å; C376-C385 WeakPolarHBondContact CB-SG 3.4Å; C376-C385 WeakPolarHBondContact SG-CA 3.25Å; C376-C385 WeakPolarHBondContact SG-CB 3.2Å; C376-C385 PolarHBondContact SG-N 3.22Å; C376-C385 CovalentContact SG-SG 2.03Å; C376-C385 PolarHBondContact SG-SG 2.8Å; C376-Q398 HydrophobicContact CB-CG 3.99Å
377	G	62.8	Low	67.6	Low	39 Å²	39	56.8 Å²	56.8	40%	0.402	33%	0.334	S	S	.	.	S	Bend	trans	75.5	-167	-175.9	0	0	0	0	0	114.3
378	S	53.9	Low	67.4	Low	89 Å²	89	57.4 Å²	57.4	62%	0.622	34%	0.339	S	S	*	.	S	Bend	trans	-78.2	-19.1	-178.8	63.9	0	0	0	0	113.7	D146	D146-S378 VanDerWaalsContact CG-OG 3.29Å; D146-S378 PolarHBondContact OD1-OG 2.92Å; D146-S378 PolarHBondContact OD2-OG 3.48Å
379	L	50.9	Low	66.9	Low	111 Å²	111	60.6 Å²	60.6	58%	0.581	35%	0.347	S	S	*	.	S	Bend	trans	-96.7	131.6	180	-94.1	101.7	0	0	0	111.9	S381	L379-S381 PolarHBondContact O-N 2.82Å
380	A	47.4	Very low	66.2	Low	100 Å²	100	61.6 Å²	61.6	83%	0.826	36%	0.358	S	S	*	.			trans	-68.3	31.4	174.8	0	0	0	0	0	114.9
381	S	49.6	Very low	65.3	Low	47 Å²	47	63 Å²	63	33%	0.329	37%	0.367	S	S	.	.			trans	-115.1	125.5	-176.3	165.5	0	0	0	0	111.1	L379 K383	L379-S381 PolarHBondContact O-N 2.82Å; S381-K383 PolarHBondContact O-N 3.09Å; S381-K383 WeakPolarHBondContact OG-CB 3.43Å; S381-K383 PolarHBondContact OG-N 3.2Å
382	K	49.9	Very low	64.6	Low	82 Å²	82	60.6 Å²	60.6	36%	0.357	36%	0.355	S	S	.	.	S	Bend	trans	-49.1	-26.9	170.6	-63.1	-175.6	179.7	-177	0	114.3	T371 E372 G384	T371-K382 VanDerWaalsContact C-CE 3.43Å; T371-K382 WeakPolarHBondContact O-CE 3.41Å; E372-K382 VanDerWaalsContact N-CE 3.25Å; K382-G384 PolarHBondContact O-N 3.4Å
383	K	53.2	Low	63.9	Low	141 Å²	141	59.3 Å²	59.3	61%	0.613	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	86	-171.9	-60.1	178.7	179.7	176.5	0	109.8	S381	S381-K383 PolarHBondContact O-N 3.09Å; S381-K383 WeakPolarHBondContact OG-CB 3.43Å; S381-K383 PolarHBondContact OG-N 3.2Å
384	G	66.3	Low	63.3	Low	13 Å²	13	54 Å²	54	13%	0.134	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	146.8	3.6	177.6	0	0	0	0	0	115.4	C376 K382 P396 K397	C376-G384 VanDerWaalsContact SG-C 3.56Å; K382-G384 PolarHBondContact O-N 3.4Å; G384-P396 WeakPolarHBondContact O-CA 3.4Å; G384-P396 WeakPolarHBondContact O-CB 3.36Å; G384-K397 PolarHBondContact O-N 3.13Å
385	C	79.8	Confident	62.9	Low	2 Å²	2	53.8 Å²	53.8	1%	0.014	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-92.6	148.8	173.4	-43.7	0	0	0	0	110.5	D370 C376 M387 A388 P396	D370-C385 WeakPolarHBondContact OD2-CB 3.39Å; C376-C385 HydrophobicContact CB-CB 3.9Å; C376-C385 WeakPolarHBondContact CB-SG 3.4Å; C376-C385 WeakPolarHBondContact SG-CA 3.25Å; C376-C385 WeakPolarHBondContact SG-CB 3.2Å; C376-C385 PolarHBondContact SG-N 3.22Å; C376-C385 CovalentContact SG-SG 2.03Å; C376-C385 PolarHBondContact SG-SG 2.8Å; C385-M387 VanDerWaalsContact C-N 3.3Å; C385-M387 PolarHBondContact O-N 3.03Å; C385-A388 WeakPolarHBondContact O-CB 3.48Å; C385-A388 PolarHBondContact O-N 3.09Å; C385-P396 WeakPolarHBondContact O-CB 3.35Å
386	I	86.6	Confident	62.6	Low	4 Å²	4	51.5 Å²	51.5	2%	0.021	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-42.6	-176.4	-66.4	168.5	0	0	0	110.8	L261 A358 H359 A388 P396 Q398 F399	L261-I386 HydrophobicContact CB-CD1 3.97Å; L261-I386 HydrophobicContact CD1-CD1 4.32Å; L261-I386 HydrophobicContact CD2-CD1 4.17Å; L261-I386 HydrophobicContact CG-CD1 4.38Å; A358-I386 HydrophobicContact CB-CG2 4.11Å; H359-I386 HydrophobicContact CB-CG2 4.41Å; H359-I386 PolarHBondContact ND1-O 2.78Å; I386-A388 VanDerWaalsContact C-N 3.25Å; I386-A388 PolarHBondContact O-N 2.83Å; I386-P396 HydrophobicContact CB-CB 4.33Å; I386-P396 HydrophobicContact CB-CG 4.42Å; I386-P396 HydrophobicContact CG1-CB 3.8Å; I386-P396 HydrophobicContact CG1-CG 4.01Å; I386-Q398 PolarHBondContact N-O 3.15Å; I386-F399 HydrophobicContact CB-CD1 3.93Å; I386-F399 HydrophobicContact CB-CE1 3.77Å; I386-F399 HydrophobicContact CB-CZ 4.22Å; I386-F399 HydrophobicContact CD1-CD1 4.15Å; I386-F399 HydrophobicContact CD1-CD2 3.65Å; I386-F399 HydrophobicContact CD1-CE1 3.99Å; I386-F399 HydrophobicContact CD1-CE2 3.46Å; I386-F399 VanDerWaalsContact CD1-CE2 3.46Å; I386-F399 HydrophobicContact CD1-CG 3.98Å; I386-F399 HydrophobicContact CD1-CZ 3.64Å; I386-F399 HydrophobicContact CG1-CE1 4.49Å; I386-F399 HydrophobicContact CG2-CD1 4.23Å; I386-F399 HydrophobicContact CG2-CE1 3.54Å; I386-F399 HydrophobicContact CG2-CZ 3.83Å
387	M	86.9	Confident	62.4	Low	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	22.6	-179.1	-59.1	-51.8	-56	0	0	113.8	L367 H369 D370 C385 F399 S403	L367-M387 HydrophobicContact CB-CE 3.89Å; L367-M387 HydrophobicContact CB-CG 4.06Å; L367-M387 HydrophobicContact CB-SD 4.02Å; L367-M387 HydrophobicContact CD1-CG 4.03Å; L367-M387 HydrophobicContact CD1-SD 4.06Å; H369-M387 CarbonylContact C-O 3.53Å; H369-M387 WeakPolarHBondContact CA-O 3.46Å; D370-M387 PolarHBondContact N-O 2.88Å; C385-M387 VanDerWaalsContact C-N 3.3Å; C385-M387 PolarHBondContact O-N 3.03Å; M387-F399 HydrophobicContact CG-CD1 4.15Å; M387-F399 HydrophobicContact CG-CE1 4.18Å; M387-F399 HydrophobicContact SD-CE1 4.19Å; M387-S403 WeakPolarHBondContact CG-OG 3.34Å
388	A	79.8	Confident	63.1	Low	14 Å²	14	55.3 Å²	55.3	12%	0.116	32%	0.316	C	S	.	.			trans	-68.5	136.6	172.3	0	0	0	0	0	110.8	H359 C385 I386 S390	H359-A388 PolarHBondContact CE1-O 3.44Å; C385-A388 WeakPolarHBondContact O-CB 3.48Å; C385-A388 PolarHBondContact O-N 3.09Å; I386-A388 VanDerWaalsContact C-N 3.25Å; I386-A388 PolarHBondContact O-N 2.83Å; A388-S390 PolarHBondContact O-N 3.11Å
389	E	66.9	Low	64.6	Low	131 Å²	131	51.2 Å²	51.2	61%	0.612	29%	0.287	S	S	*	.	S	Bend	trans	-56.4	-22.5	-179.2	-178.3	-176.5	-172.7	0	0	114.2	C187 H369	C187-E389 PolarHBondContact N-O 2.8Å; H369-E389 HydrophobicContact CB-CB 4.49Å
390	S	62.6	Low	66.2	Low	59 Å²	59	45.9 Å²	45.9	41%	0.413	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-132	147.7	174.7	53.7	0	0	0	0	111.2	A388 G392	A388-S390 PolarHBondContact O-N 3.11Å; S390-G392 VanDerWaalsContact C-N 3.3Å; S390-G392 PolarHBondContact O-N 2.99Å
391	V	58.3	Low	67.6	Low	41 Å²	41	44.4 Å²	44.4	25%	0.248	24%	0.242	C	C	.	.			trans	-64.1	98.7	172	-176.1	0	0	0	0	106.7	S185 V326	S185-V391 PolarHBondContact O-N 3.48Å; S185-V391 VanDerWaalsContact O-N 3.12Å; V326-V391 HydrophobicContact CG2-CG2 3.83Å
392	G	53.2	Low	69.1	Low	16 Å²	16	43.5 Å²	43.5	17%	0.165	24%	0.236	C	C	.	.			trans	-62.2	173.9	-178.5	0	0	0	0	0	111.9	S390 V394	S390-G392 VanDerWaalsContact C-N 3.3Å; S390-G392 PolarHBondContact O-N 2.99Å; G392-V394 PolarHBondContact O-N 3.43Å; G392-V394 VanDerWaalsContact O-N 3.1Å
393	L	50.2	Low	70.7	Confident	135 Å²	135	39.7 Å²	39.7	71%	0.707	22%	0.219	S	C	*	.	S	Bend	trans	-56.6	-28.4	171.7	-69.2	166.4	0	0	0	111.2	Y177 R182	Y177-L393 WeakPolarHBondContact CD2-O 3.07Å; Y177-L393 WeakPolarHBondContact CE2-O 3.35Å; R182-L393 PolarHBondContact NH1-O 2.84Å
394	V	56.4	Low	72.2	Confident	31 Å²	31	37.3 Å²	37.3	19%	0.188	21%	0.21	C	C	.	.	S	Bend	trans	-101	125.2	-177.4	-165.7	0	0	0	0	109.6	Y177 G392	Y177-V394 HydrophobicContact CE1-CG1 3.96Å; Y177-V394 HydrophobicContact CE2-CB 3.98Å; Y177-V394 HydrophobicContact CE2-CG1 4.06Å; Y177-V394 HydrophobicContact CE2-CG2 4.07Å; Y177-V394 WeakPolarHBondContact OH-CG1 3.26Å; Y177-V394 WeakPolarHBondContact OH-CG2 3.28Å; G392-V394 PolarHBondContact O-N 3.43Å; G392-V394 VanDerWaalsContact O-N 3.1Å
395	Y	64.3	Low	72.7	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-63	126.2	167	-74.8	-56.1	0	0	0	108	L180 R182 N347 I351 K397	L180-Y395 HydrophobicContact CD2-CE2 3.85Å; L180-Y395 VanDerWaalsContact CD2-OH 3.3Å; L180-Y395 WeakPolarHBondContact CD2-OH 3.29Å; R182-Y395 VanDerWaalsContact CZ-CE2 3.42Å; N347-Y395 PolarHBondContact ND2-OH 3.07Å; I351-Y395 HydrophobicContact CB-CD2 4.45Å; I351-Y395 HydrophobicContact CG2-CD1 4.21Å; I351-Y395 HydrophobicContact CG2-CD2 3.69Å; I351-Y395 HydrophobicContact CG2-CE2 4.22Å; I351-Y395 HydrophobicContact CG2-CG 3.7Å; Y395-K397 PolarHBondContact O-N 2.74Å
396	P	65.1	Low	72.6	Confident	13 Å²	13	43.7 Å²	43.7	8%	0.084	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-68.3	137.1	-168.9	27.2	-34.2	0	0	0	111.2	G384 C385 I386	G384-P396 WeakPolarHBondContact O-CA 3.4Å; G384-P396 WeakPolarHBondContact O-CB 3.36Å; C385-P396 WeakPolarHBondContact O-CB 3.35Å; I386-P396 HydrophobicContact CB-CB 4.33Å; I386-P396 HydrophobicContact CB-CG 4.42Å; I386-P396 HydrophobicContact CG1-CB 3.8Å; I386-P396 HydrophobicContact CG1-CG 4.01Å
397	K	66.4	Low	72.5	Confident	52 Å²	52	43.8 Å²	43.8	23%	0.226	24%	0.237	C	C	.	.			trans	-95.2	-23.8	-176.4	-72.8	178	171.8	-178.4	0	113.1	Q145 D146 Q147 M148 G384 Y395	Q145-K397 PolarHBondContact O-NZ 3.02Å; D146-K397 VanDerWaalsContact C-NZ 3.3Å; D146-K397 PolarHBondContact O-NZ 2.83Å; Q147-K397 VanDerWaalsContact C-NZ 3.31Å; Q147-K397 PolarHBondContact O-NZ 2.86Å; M148-K397 HydrophobicContact CE-CD 4.38Å; M148-K397 HydrophobicContact CE-CG 3.52Å; G384-K397 PolarHBondContact O-N 3.13Å; Y395-K397 PolarHBondContact O-N 2.74Å
398	Q	77.9	Confident	72	Confident	79 Å²	79	46 Å²	46	37%	0.369	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-159.7	154	-164.4	46.9	175.1	98.7	0	0	111.7	C376 I386	C376-Q398 HydrophobicContact CB-CG 3.99Å; I386-Q398 PolarHBondContact N-O 3.15Å
399	F	85.5	Confident	71.5	Confident	3 Å²	3	50.5 Å²	50.5	1%	0.013	27%	0.267	C	S	.	.			trans	-71.7	143.3	168	-72.4	-75.2	0	0	0	110.7	Y262 V265 L367 I386 M387 Q404	Y262-F399 AromaticContact CD1-CE2 3.87Å; Y262-F399 HydrophobicContact CD1-CE2 3.87Å; Y262-F399 HydrophobicContact CD1-CZ 4.09Å; Y262-F399 HydrophobicContact CD2-CE2 4.45Å; Y262-F399 AromaticContact CE1-CE2 3.86Å; Y262-F399 HydrophobicContact CE1-CE2 3.86Å; Y262-F399 AromaticContact CE1-CZ 3.58Å; Y262-F399 HydrophobicContact CE1-CZ 3.58Å; Y262-F399 HydrophobicContact CE2-CE2 4.42Å; Y262-F399 HydrophobicContact CE2-CZ 4.05Å; Y262-F399 HydrophobicContact CG-CE2 4.21Å; Y262-F399 AromaticContact CZ-CZ 3.59Å; V265-F399 HydrophobicContact CB-CD2 4.48Å; V265-F399 HydrophobicContact CG1-CB 4.01Å; V265-F399 HydrophobicContact CG1-CD2 3.75Å; V265-F399 HydrophobicContact CG1-CG 4.22Å; V265-F399 HydrophobicContact CG2-CD2 3.86Å; V265-F399 HydrophobicContact CG2-CE2 4.05Å; L367-F399 HydrophobicContact CD1-CD1 3.95Å; L367-F399 HydrophobicContact CD1-CE1 3.72Å; I386-F399 HydrophobicContact CB-CD1 3.93Å; I386-F399 HydrophobicContact CB-CE1 3.77Å; I386-F399 HydrophobicContact CB-CZ 4.22Å; I386-F399 HydrophobicContact CD1-CD1 4.15Å; I386-F399 HydrophobicContact CD1-CD2 3.65Å; I386-F399 HydrophobicContact CD1-CE1 3.99Å; I386-F399 HydrophobicContact CD1-CE2 3.46Å; I386-F399 VanDerWaalsContact CD1-CE2 3.46Å; I386-F399 HydrophobicContact CD1-CG 3.98Å; I386-F399 HydrophobicContact CD1-CZ 3.64Å; I386-F399 HydrophobicContact CG1-CE1 4.49Å; I386-F399 HydrophobicContact CG2-CD1 4.23Å; I386-F399 HydrophobicContact CG2-CE1 3.54Å; I386-F399 HydrophobicContact CG2-CZ 3.83Å; M387-F399 HydrophobicContact CG-CD1 4.15Å; M387-F399 HydrophobicContact CG-CE1 4.18Å; M387-F399 HydrophobicContact SD-CE1 4.19Å; F399-Q404 HydrophobicContact CB-CG 4.18Å; F399-Q404 PolarHBondContact O-NE2 2.85Å; F399-Q404 VanDerWaalsContact O-NE2 3.14Å
400	S	83.8	Confident	71.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.			trans	-69.6	165.3	174.6	81.4	0	0	0	0	111.1	D370 V375 C402 S403 Q404	D370-S400 WeakPolarHBondContact OD1-CB 3.43Å; D370-S400 PolarHBondContact OD1-OG 2.91Å; D370-S400 WeakPolarHBondContact OD2-CB 3.39Å; D370-S400 PolarHBondContact OD2-OG 2.8Å; V375-S400 WeakPolarHBondContact O-CA 3.06Å; V375-S400 WeakPolarHBondContact O-CB 3.3Å; S400-C402 PolarHBondContact O-N 3.44Å; S400-C402 WeakPolarHBondContact OG-CB 3.42Å; S400-C402 PolarHBondContact OG-N 2.98Å; S400-S403 PolarHBondContact O-N 2.81Å; S400-S403 VanDerWaalsContact O-N 3.16Å; S400-S403 PolarHBondContact OG-N 3.49Å; S400-S403 PolarHBondContact OG-OG 3.17Å; S400-S403 VanDerWaalsContact OG-OG 3.07Å; S400-Q404 WeakPolarHBondContact O-CG 3.4Å; S400-Q404 PolarHBondContact O-N 2.77Å
401	S	78	Confident	72.4	Confident	68 Å²	68	42.8 Å²	42.8	48%	0.476	22%	0.224	S	C	.	.	H	α-helix	trans	-57.7	-34.4	171	56.5	0	0	0	0	112.5	V375 Q405	V375-S401 PolarHBondContact O-N 2.86Å; V375-S401 VanDerWaalsContact O-N 3.14Å; S401-Q405 WeakPolarHBondContact O-CB 3.48Å; S401-Q405 PolarHBondContact O-N 3.42Å; S401-Q405 VanDerWaalsContact O-N 3.07Å
402	C	80.1	Confident	72.8	Confident	29 Å²	29	47.2 Å²	47.2	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-44.5	174.7	-62.5	0	0	0	0	111.9	C374 S400 Q405 Q406	C374-C402 WeakPolarHBondContact CA-SG 3.3Å; C374-C402 HydrophobicContact CB-CB 3.78Å; C374-C402 WeakPolarHBondContact CB-SG 3.45Å; C374-C402 WeakPolarHBondContact SG-CB 3.41Å; C374-C402 CovalentContact SG-SG 2.04Å; C374-C402 PolarHBondContact SG-SG 2.72Å; S400-C402 PolarHBondContact O-N 3.44Å; S400-C402 WeakPolarHBondContact OG-CB 3.42Å; S400-C402 PolarHBondContact OG-N 2.98Å; C402-Q405 PolarHBondContact O-N 3.48Å; C402-Q406 WeakPolarHBondContact O-CG 3.25Å; C402-Q406 PolarHBondContact O-N 3.28Å; C402-Q406 PolarHBondContact O-NE2 2.91Å
403	S	84.1	Confident	73	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-43.5	178.7	-50.5	0	0	0	0	110.9	L367 D370 M387 S400 Q405 Q406 L407	L367-S403 WeakPolarHBondContact CD2-O 3.49Å; D370-S403 PolarHBondContact OD1-OG 2.91Å; M387-S403 WeakPolarHBondContact CG-OG 3.34Å; S400-S403 PolarHBondContact O-N 2.81Å; S400-S403 VanDerWaalsContact O-N 3.16Å; S400-S403 PolarHBondContact OG-N 3.49Å; S400-S403 PolarHBondContact OG-OG 3.17Å; S400-S403 VanDerWaalsContact OG-OG 3.07Å; S403-Q405 VanDerWaalsContact C-N 3.32Å; S403-Q405 PolarHBondContact O-N 3.17Å; S403-Q406 PolarHBondContact O-N 3.01Å; S403-L407 WeakPolarHBondContact O-CB 3.39Å; S403-L407 PolarHBondContact O-N 3.45Å
404	Q	83.9	Confident	73.5	Confident	91 Å²	91	50.4 Å²	50.4	43%	0.425	25%	0.251	S	S	.	.	H	α-helix	trans	-60.1	-42.6	176.8	-70.3	175.1	45.3	0	0	111.8	V265 F399 S400 L407 S408	V265-Q404 HydrophobicContact CG1-CG 3.78Å; F399-Q404 HydrophobicContact CB-CG 4.18Å; F399-Q404 PolarHBondContact O-NE2 2.85Å; F399-Q404 VanDerWaalsContact O-NE2 3.14Å; S400-Q404 WeakPolarHBondContact O-CG 3.4Å; S400-Q404 PolarHBondContact O-N 2.77Å; Q404-L407 PolarHBondContact O-N 2.73Å; Q404-S408 PolarHBondContact O-N 3.5Å
405	Q	77.1	Confident	73.9	Confident	110 Å²	110	52.4 Å²	52.4	51%	0.514	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-42.3	177.2	-168.5	-176.8	34.9	0	0	112.2	S401 C402 S403 L407 S408 R409	S401-Q405 WeakPolarHBondContact O-CB 3.48Å; S401-Q405 PolarHBondContact O-N 3.42Å; S401-Q405 VanDerWaalsContact O-N 3.07Å; C402-Q405 PolarHBondContact O-N 3.48Å; S403-Q405 VanDerWaalsContact C-N 3.32Å; S403-Q405 PolarHBondContact O-N 3.17Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; Q405-S408 PolarHBondContact O-N 3.34Å; Q405-R409 VanDerWaalsContact NE2-NH2 3.16Å; Q405-R409 WeakPolarHBondContact O-CG 3.28Å; Q405-R409 PolarHBondContact O-N 3.33Å; Q405-R409 VanDerWaalsContact O-N 3.09Å
406	Q	76.9	Confident	74.1	Confident	40 Å²	40	53 Å²	53	19%	0.187	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-42.2	175.7	-76	172.6	74.5	0	0	111.4	L367 C402 S403 R409 F410	L367-Q406 HydrophobicContact CD2-CB 3.56Å; C402-Q406 WeakPolarHBondContact O-CG 3.25Å; C402-Q406 PolarHBondContact O-N 3.28Å; C402-Q406 PolarHBondContact O-NE2 2.91Å; S403-Q406 PolarHBondContact O-N 3.01Å; Q406-R409 PolarHBondContact O-N 3.32Å; Q406-F410 PolarHBondContact O-N 2.73Å
407	L	84.7	Confident	74.3	Confident	5 Å²	5	56 Å²	56	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-47	176.9	-173.3	59.2	0	0	0	111.5	V265 V267 L365 L367 S403 Q404 Q405 R409 F410 L411	V265-L407 HydrophobicContact CB-CD2 3.85Å; V265-L407 HydrophobicContact CG2-CD2 3.61Å; V267-L407 HydrophobicContact CG2-CD2 4.13Å; L365-L407 HydrophobicContact CB-CD1 3.93Å; L365-L407 HydrophobicContact CD1-CD1 4.24Å; L365-L407 HydrophobicContact CD2-CD1 4.31Å; L365-L407 HydrophobicContact CG-CD1 4.4Å; L367-L407 HydrophobicContact CD2-CB 3.98Å; S403-L407 WeakPolarHBondContact O-CB 3.39Å; S403-L407 PolarHBondContact O-N 3.45Å; Q404-L407 PolarHBondContact O-N 2.73Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; L407-R409 VanDerWaalsContact C-N 3.33Å; L407-R409 PolarHBondContact O-N 3.39Å; L407-F410 PolarHBondContact O-N 3.48Å; L407-L411 HydrophobicContact CD1-CD1 4.06Å; L407-L411 HydrophobicContact CD1-CG 4.09Å; L407-L411 HydrophobicContact CD2-CD1 4.47Å; L407-L411 HydrophobicContact CG-CD1 3.82Å; L407-L411 HydrophobicContact CG-CG 4.26Å; L407-L411 WeakPolarHBondContact O-CB 3.27Å; L407-L411 VanDerWaalsContact O-CG 3.28Å; L407-L411 WeakPolarHBondContact O-CG 3.35Å; L407-L411 PolarHBondContact O-N 2.91Å
408	S	76.8	Confident	74.9	Confident	48 Å²	48	54.9 Å²	54.9	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-57.8	-45.3	176.7	151.3	0	0	0	0	111.1	Q404 Q405 F410 L411 E412	Q404-S408 PolarHBondContact O-N 3.5Å; Q405-S408 PolarHBondContact O-N 3.34Å; S408-F410 PolarHBondContact O-N 2.94Å; S408-L411 PolarHBondContact O-N 2.91Å; S408-E412 VanDerWaalsContact O-CB 3.25Å; S408-E412 WeakPolarHBondContact O-CB 3.38Å; S408-E412 WeakPolarHBondContact O-CG 3.39Å; S408-E412 PolarHBondContact O-N 2.86Å; S408-E412 PolarHBondContact OG-OE1 3.41Å
409	R	68.9	Low	75.1	Confident	107 Å²	107	51.2 Å²	51.2	40%	0.404	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-45.1	174.6	-68	-175.9	-150.3	139.5	1.6	112.6	Q405 Q406 L407 L411 E412 E413	Q405-R409 VanDerWaalsContact NE2-NH2 3.16Å; Q405-R409 WeakPolarHBondContact O-CG 3.28Å; Q405-R409 PolarHBondContact O-N 3.33Å; Q405-R409 VanDerWaalsContact O-N 3.09Å; Q406-R409 PolarHBondContact O-N 3.32Å; L407-R409 VanDerWaalsContact C-N 3.33Å; L407-R409 PolarHBondContact O-N 3.39Å; R409-L411 VanDerWaalsContact C-N 3.35Å; R409-L411 PolarHBondContact O-N 3.46Å; R409-E412 PolarHBondContact O-N 3.49Å; R409-E413 VanDerWaalsContact O-CB 3.25Å; R409-E413 WeakPolarHBondContact O-CB 3.31Å; R409-E413 WeakPolarHBondContact O-CG 2.89Å; R409-E413 PolarHBondContact O-N 2.04Å
410	F	73.1	Confident	74.6	Confident	9 Å²	9	53.5 Å²	53.5	4%	0.039	28%	0.284	C	S	.	.	I	π-helix	trans	-58.7	-47.7	177.3	-179.9	-90.8	0	0	0	111	N332 M334 L365 Q406 L407 S408 E412 I414 N415 P416	N332-F410 HydrophobicContact CB-CE2 4.31Å; M334-F410 HydrophobicContact CB-CE1 4.24Å; M334-F410 HydrophobicContact CB-CZ 4Å; L365-F410 HydrophobicContact CD2-CD1 4.36Å; L365-F410 HydrophobicContact CD2-CE1 4.01Å; L365-F410 WeakPolarHBondContact O-CB 3.39Å; L365-F410 WeakPolarHBondContact O-CD1 3.27Å; L365-F410 WeakPolarHBondContact O-CD2 3.4Å; L365-F410 WeakPolarHBondContact O-CG 3.36Å; Q406-F410 PolarHBondContact O-N 2.73Å; L407-F410 PolarHBondContact O-N 3.48Å; S408-F410 PolarHBondContact O-N 2.94Å; F410-E412 VanDerWaalsContact C-N 3.33Å; F410-E412 PolarHBondContact O-N 2.76Å; F410-I414 HydrophobicContact CD2-CD1 3.32Å; F410-I414 HydrophobicContact CD2-CG1 4.45Å; F410-I414 HydrophobicContact CE2-CB 4.49Å; F410-I414 HydrophobicContact CE2-CD1 3.47Å; F410-I414 VanDerWaalsContact CE2-CD1 3.47Å; F410-I414 HydrophobicContact CE2-CG2 4.38Å; F410-I414 HydrophobicContact CG-CD1 4.21Å; F410-I414 HydrophobicContact CZ-CD1 4.46Å; F410-I414 HydrophobicContact CZ-CG2 4.42Å; F410-I414 VanDerWaalsContact O-CB 3.3Å; F410-I414 WeakPolarHBondContact O-CB 3.31Å; F410-I414 PolarHBondContact O-N 2.71Å; F410-I414 VanDerWaalsContact O-N 3.09Å; F410-N415 PolarHBondContact O-N 3.22Å; F410-P416 HydrophobicContact CE1-CG 3.85Å; F410-P416 HydrophobicContact CZ-CG 4.38Å
411	L	76.2	Confident	73.8	Confident	19 Å²	19	56 Å²	56	10%	0.099	30%	0.298	C	S	.	.	I	π-helix	trans	-69.7	-26.5	-179.5	-65.8	175.5	0	0	0	113.7	R225 V267 L407 S408 R409 N415 L419	R225-L411 HydrophobicContact CG-CD1 4.14Å; R225-L411 HydrophobicContact CG-CD2 4.15Å; V267-L411 HydrophobicContact CG2-CD1 4.37Å; L407-L411 HydrophobicContact CD1-CD1 4.06Å; L407-L411 HydrophobicContact CD1-CG 4.09Å; L407-L411 HydrophobicContact CD2-CD1 4.47Å; L407-L411 HydrophobicContact CG-CD1 3.82Å; L407-L411 HydrophobicContact CG-CG 4.26Å; L407-L411 WeakPolarHBondContact O-CB 3.27Å; L407-L411 VanDerWaalsContact O-CG 3.28Å; L407-L411 WeakPolarHBondContact O-CG 3.35Å; L407-L411 PolarHBondContact O-N 2.91Å; S408-L411 PolarHBondContact O-N 2.91Å; R409-L411 VanDerWaalsContact C-N 3.35Å; R409-L411 PolarHBondContact O-N 3.46Å; L411-N415 VanDerWaalsContact O-CA 3.26Å; L411-N415 WeakPolarHBondContact O-CA 3.24Å; L411-N415 WeakPolarHBondContact O-CB 3.5Å; L411-N415 PolarHBondContact O-OD1 3.23Å; L411-L419 HydrophobicContact CD2-CD1 3.86Å
412	E	66	Low	72.7	Confident	135 Å²	135	56.3 Å²	56.3	63%	0.631	29%	0.293	S	S	*	.	I	π-helix	trans	-89.4	-44.8	179.4	-72.9	169.7	-151.2	0	0	112.9	S408 R409 F410	S408-E412 VanDerWaalsContact O-CB 3.25Å; S408-E412 WeakPolarHBondContact O-CB 3.38Å; S408-E412 WeakPolarHBondContact O-CG 3.39Å; S408-E412 PolarHBondContact O-N 2.86Å; S408-E412 PolarHBondContact OG-OE1 3.41Å; R409-E412 PolarHBondContact O-N 3.49Å; F410-E412 VanDerWaalsContact C-N 3.33Å; F410-E412 PolarHBondContact O-N 2.76Å
413	E	58	Low	71.3	Confident	141 Å²	141	55.1 Å²	55.1	66%	0.659	29%	0.285	S	S	*	.	I	π-helix	trans	-87.6	-40.2	-172.6	-62.6	-178.8	-171.7	0	0	112.9	R409	R409-E413 VanDerWaalsContact O-CB 3.25Å; R409-E413 WeakPolarHBondContact O-CB 3.31Å; R409-E413 WeakPolarHBondContact O-CG 2.89Å; R409-E413 PolarHBondContact O-N 2.04Å
414	I	60.7	Low	69.3	Low	76 Å²	76	57.6 Å²	57.6	39%	0.39	30%	0.303	S	S	.	.	I	π-helix	trans	-88.4	-35.9	176.6	-64.6	163.6	0	0	0	109.6	F410 P416	F410-I414 HydrophobicContact CD2-CD1 3.32Å; F410-I414 HydrophobicContact CD2-CG1 4.45Å; F410-I414 HydrophobicContact CE2-CB 4.49Å; F410-I414 HydrophobicContact CE2-CD1 3.47Å; F410-I414 VanDerWaalsContact CE2-CD1 3.47Å; F410-I414 HydrophobicContact CE2-CG2 4.38Å; F410-I414 HydrophobicContact CG-CD1 4.21Å; F410-I414 HydrophobicContact CZ-CD1 4.46Å; F410-I414 HydrophobicContact CZ-CG2 4.42Å; F410-I414 VanDerWaalsContact O-CB 3.3Å; F410-I414 WeakPolarHBondContact O-CB 3.31Å; F410-I414 PolarHBondContact O-N 2.71Å; F410-I414 VanDerWaalsContact O-N 3.09Å; I414-P416 HydrophobicContact CG2-CB 4.47Å
415	N	64.7	Low	67.3	Low	74 Å²	74	55.5 Å²	55.5	40%	0.396	30%	0.301	S	S	.	.			trans	40.2	60.5	177.1	-171.8	42.9	0	0	0	112.8	R225 F410 L411 A417	R225-N415 PolarHBondContact NH2-OD1 3.14Å; F410-N415 PolarHBondContact O-N 3.22Å; L411-N415 VanDerWaalsContact O-CA 3.26Å; L411-N415 WeakPolarHBondContact O-CA 3.24Å; L411-N415 WeakPolarHBondContact O-CB 3.5Å; L411-N415 PolarHBondContact O-OD1 3.23Å; N415-A417 PolarHBondContact O-N 3.11Å
416	P	67.9	Low	65.7	Low	13 Å²	13	55.5 Å²	55.5	8%	0.084	30%	0.304	C	S	.	.			trans	-67.9	123.3	-170.3	30.9	-36.9	0	0	0	110.1	C335 F410 I414 C418 L419	C335-P416 HydrophobicContact CB-CB 4.2Å; C335-P416 VanDerWaalsContact SG-CB 3.6Å; F410-P416 HydrophobicContact CE1-CG 3.85Å; F410-P416 HydrophobicContact CZ-CG 4.38Å; I414-P416 HydrophobicContact CG2-CB 4.47Å; P416-C418 PolarHBondContact O-N 3.1Å; P416-C418 VanDerWaalsContact O-N 3.14Å; P416-L419 HydrophobicContact CG-CD1 3.68Å; P416-L419 HydrophobicContact CG-CG 3.98Å; P416-L419 PolarHBondContact O-N 2.8Å; P416-L419 VanDerWaalsContact O-N 3.15Å
417	A	68.6	Low	64.2	Low	77 Å²	77	59.1 Å²	59.1	64%	0.636	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-62.6	-25.4	-169.7	0	0	0	0	0	114	N415 L419 L420	N415-A417 PolarHBondContact O-N 3.11Å; A417-L419 PolarHBondContact O-N 2.81Å; A417-L420 WeakPolarHBondContact O-CB 3.31Å; A417-L420 PolarHBondContact O-N 2.8Å; A417-L420 VanDerWaalsContact O-N 3.16Å
418	C	79.1	Confident	62.5	Low	28 Å²	28	59.9 Å²	59.9	19%	0.189	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-71.2	-10.8	179.7	97.3	0	0	0	0	114.3	D311 C335 P416 D421	D311-C418 WeakPolarHBondContact CB-SG 3.23Å; D311-C418 WeakPolarHBondContact OD1-CB 3.36Å; D311-C418 PolarHBondContact OD1-SG 2.6Å; C335-C418 WeakPolarHBondContact CA-SG 3.31Å; C335-C418 HydrophobicContact CB-CB 3.79Å; C335-C418 WeakPolarHBondContact CB-SG 3.44Å; C335-C418 WeakPolarHBondContact SG-CB 3.03Å; C335-C418 CovalentContact SG-SG 2Å; C335-C418 PolarHBondContact SG-SG 3.05Å; P416-C418 PolarHBondContact O-N 3.1Å; P416-C418 VanDerWaalsContact O-N 3.14Å; C418-D421 WeakPolarHBondContact CA-OD1 3.43Å
419	L	83.6	Confident	61	Low	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-95.4	-1.9	174.7	-54.7	-175.3	0	0	0	112.3	R225 T226 V227 D311 M334 L365 L411 P416 A417	R225-L419 WeakPolarHBondContact CA-O 3.35Å; T226-L419 PolarHBondContact N-O 3.17Å; T226-L419 WeakPolarHBondContact O-CA 3.24Å; T226-L419 WeakPolarHBondContact O-CD2 3.32Å; V227-L419 HydrophobicContact CG2-CD2 3.86Å; D311-L419 HydrophobicContact CB-CD2 4.49Å; M334-L419 HydrophobicContact CG-CD1 4.03Å; M334-L419 HydrophobicContact CG-CD2 4Å; M334-L419 HydrophobicContact CG-CG 4.35Å; M334-L419 HydrophobicContact SD-CD2 4.24Å; L365-L419 HydrophobicContact CD2-CD1 3.93Å; L411-L419 HydrophobicContact CD2-CD1 3.86Å; P416-L419 HydrophobicContact CG-CD1 3.68Å; P416-L419 HydrophobicContact CG-CG 3.98Å; P416-L419 PolarHBondContact O-N 2.8Å; P416-L419 VanDerWaalsContact O-N 3.15Å; A417-L419 PolarHBondContact O-N 2.81Å
420	L	74.9	Confident	60	Low	52 Å²	52	56.4 Å²	56.4	27%	0.272	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-18.6	-173.9	-60.9	178.7	0	0	0	112.8	R225 A417 I422	R225-L420 VanDerWaalsContact NH1-CD2 3.28Å; A417-L420 WeakPolarHBondContact O-CB 3.31Å; A417-L420 PolarHBondContact O-N 2.8Å; A417-L420 VanDerWaalsContact O-N 3.16Å; L420-I422 PolarHBondContact O-N 2.77Å
421	D	65.9	Low	59	Low	52 Å²	52	57.9 Å²	57.9	28%	0.278	33%	0.328	S	S	.	.			trans	-69.5	91.1	166.9	51.9	-36.2	0	0	0	107.8	K309 C418 P423	K309-D421 IonicContact NZ-OD2 2.69Å; K309-D421 PolarHBondContact NZ-OD2 3.36Å; C418-D421 WeakPolarHBondContact CA-OD1 3.43Å; D421-P423 VanDerWaalsContact O-CD 3.27Å; D421-P423 WeakPolarHBondContact O-CD 2.87Å; D421-P423 VanDerWaalsContact O-N 3.13Å
422	I	55.9	Low	58.2	Low	74 Å²	74	60.4 Å²	60.4	38%	0.379	35%	0.346	S	S	.	.			trans	-54.8	119.5	154.9	-51.5	174.1	0	0	0	103.7	P224 L420 S424 F438	P224-I422 HydrophobicContact CG-CD1 3.66Å; P224-I422 HydrophobicContact CG-CG1 4.07Å; L420-I422 PolarHBondContact O-N 2.77Å; I422-S424 PolarHBondContact O-N 3.38Å; I422-F438 HydrophobicContact CG2-CD1 4.41Å; I422-F438 HydrophobicContact CG2-CE1 4.23Å
423	P	51.2	Low	58.2	Low	5 Å²	5	55.2 Å²	55.2	3%	0.032	32%	0.323	C	S	.	.			trans	-53.2	114.2	166.5	-13.2	25.2	0	0	0	104.1	M270 D421 R427 I428	M270-P423 HydrophobicContact CE-CB 4.31Å; M270-P423 HydrophobicContact CE-CG 3.42Å; M270-P423 VanDerWaalsContact CE-CG 3.42Å; M270-P423 HydrophobicContact SD-CG 4.18Å; D421-P423 VanDerWaalsContact O-CD 3.27Å; D421-P423 WeakPolarHBondContact O-CD 2.87Å; D421-P423 VanDerWaalsContact O-N 3.13Å; P423-R427 HydrophobicContact CB-CB 3.36Å; P423-R427 HydrophobicContact CB-CG 4.3Å; P423-I428 HydrophobicContact CB-CG1 4.45Å
424	S	41.8	Very low	58.9	Low	53 Å²	53	50.8 Å²	50.8	37%	0.371	31%	0.307	S	S	.	.			trans	-50.6	156.1	-175.7	42	0	0	0	0	109.3	I422 D426 R427 I428	I422-S424 PolarHBondContact O-N 3.38Å; S424-D426 VanDerWaalsContact C-OD1 3.26Å; S424-D426 WeakPolarHBondContact CB-OD1 3.05Å; S424-D426 CarbonylContact O-C 3.59Å; S424-D426 PolarHBondContact O-N 3.26Å; S424-D426 VanDerWaalsContact OG-CG 3.29Å; S424-D426 PolarHBondContact OG-OD1 3.2Å; S424-D426 PolarHBondContact OG-OD2 2.77Å; S424-R427 WeakPolarHBondContact O-CA 3.45Å; S424-R427 WeakPolarHBondContact O-CB 3.03Å; S424-R427 PolarHBondContact O-N 2.91Å; S424-I428 PolarHBondContact O-N 3.37Å
425	A	41.8	Very low	59.3	Low	47 Å²	47	47.4 Å²	47.4	39%	0.388	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-19	-173.5	0	0	0	0	0	113.6	R427 P441	A425-R427 VanDerWaalsContact C-N 3.33Å; A425-P441 HydrophobicContact CB-CG 4.34Å
426	D	43	Very low	59.2	Low	110 Å²	110	45.2 Å²	45.2	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.9	168.3	62.2	-59.6	0	0	0	115.7	K92 S424	K92-D426 WeakPolarHBondContact CD-O 2.9Å; K92-D426 WeakPolarHBondContact CE-O 3.19Å; K92-D426 PolarHBondContact NZ-O 3.37Å; S424-D426 VanDerWaalsContact C-OD1 3.26Å; S424-D426 WeakPolarHBondContact CB-OD1 3.05Å; S424-D426 CarbonylContact O-C 3.59Å; S424-D426 PolarHBondContact O-N 3.26Å; S424-D426 VanDerWaalsContact OG-CG 3.29Å; S424-D426 PolarHBondContact OG-OD1 3.2Å; S424-D426 PolarHBondContact OG-OD2 2.77Å
427	R	46	Very low	59.3	Low	116 Å²	116	47 Å²	47	44%	0.438	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-17.5	175.1	-68.3	-175.2	168.8	-154.4	-3	114.4	K92 P423 S424 A425	K92-R427 WeakPolarHBondContact CB-O 3.44Å; K92-R427 VanDerWaalsContact CG-O 3.28Å; K92-R427 WeakPolarHBondContact CG-O 3.31Å; P423-R427 HydrophobicContact CB-CB 3.36Å; P423-R427 HydrophobicContact CB-CG 4.3Å; S424-R427 WeakPolarHBondContact O-CA 3.45Å; S424-R427 WeakPolarHBondContact O-CB 3.03Å; S424-R427 PolarHBondContact O-N 2.91Å; A425-R427 VanDerWaalsContact C-N 3.33Å
428	I	48.8	Very low	59.1	Low	20 Å²	20	44.5 Å²	44.5	10%	0.103	27%	0.27	C	S	.	.	S	Bend	trans	-85.5	130.9	167.9	-57.3	175.6	0	0	0	108.4	K92 P423 S424 F438	K92-I428 WeakPolarHBondContact CE-O 3.41Å; K92-I428 PolarHBondContact NZ-O 2.89Å; P423-I428 HydrophobicContact CB-CG1 4.45Å; S424-I428 PolarHBondContact O-N 3.37Å; I428-F438 HydrophobicContact CD1-CD1 4.17Å; I428-F438 HydrophobicContact CD1-CD2 4.44Å; I428-F438 HydrophobicContact CD1-CE1 4.36Å; I428-F438 HydrophobicContact CD1-CG 4.22Å
429	Y	44.1	Very low	58.7	Low	49 Å²	49	48.9 Å²	48.9	19%	0.192	29%	0.291	C	S	.	.	S	Bend	trans	-98.4	142.4	-169.3	-174.6	-111.3	0	0	0	112.5	K92 D111 H112 E113	K92-Y429 HydrophobicContact CD-CD2 4.42Å; K92-Y429 HydrophobicContact CG-CD2 3.79Å; K92-Y429 HydrophobicContact CG-CG 4.05Å; D111-Y429 WeakPolarHBondContact CA-OH 3.49Å; D111-Y429 VanDerWaalsContact CG-OH 3.29Å; D111-Y429 PolarHBondContact OD1-OH 2.51Å; H112-Y429 PolarHBondContact N-OH 3.2Å; E113-Y429 HydrophobicContact CB-CE1 3.92Å; E113-Y429 HydrophobicContact CG-CD1 4.05Å; E113-Y429 HydrophobicContact CG-CE1 3.24Å; E113-Y429 HydrophobicContact CG-CE2 4.04Å; E113-Y429 WeakPolarHBondContact CG-OH 3.44Å; E113-Y429 PolarHBondContact N-OH 3.32Å
430	G	49.3	Very low	58.1	Low	34 Å²	34	49.3 Å²	49.3	35%	0.351	29%	0.293	S	S	.	.	S	Bend	trans	105.5	8.3	178.1	0	0	0	0	0	117.1
431	G	52.1	Low	57.8	Low	39 Å²	39	51.3 Å²	51.3	40%	0.402	31%	0.309	S	S	.	.	S	Bend	trans	74.5	-177.8	-177.5	0	0	0	0	0	113.1	V433	G431-V433 WeakPolarHBondContact O-CG2 3.11Å
432	P	59.4	Low	58.3	Low	73 Å²	73	51.7 Å²	51.7	47%	0.474	33%	0.325	S	S	.	.			trans	-63.5	131.5	176.4	-18.1	30.8	0	0	0	111.5	E440 P441	P432-E440 WeakPolarHBondContact CA-OE2 3.27Å; P432-E440 HydrophobicContact CB-CB 3.75Å; P432-E440 HydrophobicContact CG-CB 4.44Å; P432-P441 WeakPolarHBondContact CB-O 3.27Å; P432-P441 WeakPolarHBondContact CG-O 3.32Å
433	V	65.6	Low	59.8	Low	26 Å²	26	49.5 Å²	49.5	16%	0.158	31%	0.313	C	S	.	.			trans	-135.8	106.3	-175.8	-177.1	0	0	0	0	111.1	K87 G431 G435 N436 E440 E443	K87-V433 HydrophobicContact CD-CB 4.08Å; K87-V433 HydrophobicContact CD-CG1 3.84Å; K87-V433 HydrophobicContact CD-CG2 3.51Å; G431-V433 WeakPolarHBondContact O-CG2 3.11Å; V433-G435 PolarHBondContact O-N 2.76Å; V433-N436 PolarHBondContact O-N 3.21Å; V433-N436 PolarHBondContact O-ND2 3.36Å; V433-N436 PolarHBondContact O-OD1 3.48Å; V433-E440 PolarHBondContact N-OE2 3.28Å; V433-E443 PolarHBondContact N-OE1 2.99Å
434	C	72.8	Confident	61.4	Low	48 Å²	48	53.9 Å²	53.9	32%	0.324	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	126.8	176.2	178.9	0	0	0	0	112.5	E443 A460 T462 C463	C434-E443 VanDerWaalsContact CA-OE1 3.28Å; C434-E443 WeakPolarHBondContact CA-OE1 3.02Å; C434-E443 PolarHBondContact N-OE1 3.27Å; C434-A460 PolarHBondContact SG-O 2.88Å; C434-A460 VanDerWaalsContact SG-O 3.35Å; C434-T462 VanDerWaalsContact SG-C 3.54Å; C434-C463 VanDerWaalsContact C-SG 3.6Å; C434-C463 WeakPolarHBondContact CA-SG 3.48Å; C434-C463 HydrophobicContact CB-CB 3.51Å; C434-C463 WeakPolarHBondContact CB-SG 3.15Å; C434-C463 VanDerWaalsContact SG-CA 3.54Å; C434-C463 WeakPolarHBondContact SG-CB 3.5Å; C434-C463 PolarHBondContact SG-N 2.78Å; C434-C463 CovalentContact SG-SG 2.02Å; C434-C463 PolarHBondContact SG-SG 2.85Å
435	G	69.2	Low	63.5	Low	5 Å²	5	51.4 Å²	51.4	5%	0.052	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.3	7.9	175.2	0	0	0	0	0	113.9	V433 D446 G448 T449 C463	V433-G435 PolarHBondContact O-N 2.76Å; G435-D446 VanDerWaalsContact CA-OD1 3.31Å; G435-D446 WeakPolarHBondContact CA-OD1 2.98Å; G435-D446 WeakPolarHBondContact CA-OD2 3.49Å; G435-D446 VanDerWaalsContact N-CG 3.35Å; G435-D446 PolarHBondContact N-OD1 3.14Å; G435-D446 PolarHBondContact N-OD2 3.29Å; G435-G448 WeakPolarHBondContact CA-O 3.48Å; G435-G448 CarbonylContact O-C 3.53Å; G435-G448 VanDerWaalsContact O-CA 3.26Å; G435-G448 WeakPolarHBondContact O-CA 3.37Å; G435-T449 PolarHBondContact O-N 3.29Å; G435-C463 PolarHBondContact N-SG 2.86Å; G435-C463 VanDerWaalsContact N-SG 3.39Å
436	N	62.1	Low	65.4	Low	27 Å²	27	49.3 Å²	49.3	14%	0.144	30%	0.299	C	S	.	.	S	Bend	trans	-92.5	1	178.8	73.8	10.2	0	0	0	113.2	V433 F438 E440 D446	V433-N436 PolarHBondContact O-N 3.21Å; V433-N436 PolarHBondContact O-ND2 3.36Å; V433-N436 PolarHBondContact O-OD1 3.48Å; N436-F438 VanDerWaalsContact C-N 3.27Å; N436-F438 WeakPolarHBondContact O-CD2 3.26Å; N436-F438 PolarHBondContact O-N 3.26Å; N436-F438 WeakPolarHBondContact OD1-CA 3.28Å; N436-F438 WeakPolarHBondContact OD1-CB 3.48Å; N436-F438 PolarHBondContact OD1-N 3.14Å; N436-F438 PolarHBondContact OD1-O 3.15Å; N436-E440 PolarHBondContact ND2-OE2 2.93Å; N436-D446 PolarHBondContact N-OD1 2.79Å; N436-D446 PolarHBondContact N-OD2 2.85Å; N436-D446 PolarHBondContact OD1-OD2 2.91Å; N436-D446 VanDerWaalsContact OD1-OD2 3.07Å
437	A	69.8	Low	67.1	Low	51 Å²	51	45 Å²	45	42%	0.421	28%	0.277	S	S	.	.	S	Bend	trans	64.2	21.4	-176.5	0	0	0	0	0	115.1	D446	A437-D446 VanDerWaalsContact CA-OD1 3.26Å; A437-D446 WeakPolarHBondContact CA-OD1 3.02Å; A437-D446 PolarHBondContact N-OD1 2.85Å; A437-D446 PolarHBondContact N-OD2 3.5Å
438	F	64.6	Low	68.3	Low	25 Å²	25	39.6 Å²	39.6	11%	0.11	26%	0.257	C	S	.	.			trans	-113.4	128.9	169.5	-67.2	-81.5	0	0	0	109.3	R268 I422 I428 N436 E440 E443 D446	R268-F438 HydrophobicContact CG-CZ 4.46Å; R268-F438 VanDerWaalsContact NH1-CE2 3.28Å; I422-F438 HydrophobicContact CG2-CD1 4.41Å; I422-F438 HydrophobicContact CG2-CE1 4.23Å; I428-F438 HydrophobicContact CD1-CD1 4.17Å; I428-F438 HydrophobicContact CD1-CD2 4.44Å; I428-F438 HydrophobicContact CD1-CE1 4.36Å; I428-F438 HydrophobicContact CD1-CG 4.22Å; N436-F438 VanDerWaalsContact C-N 3.27Å; N436-F438 WeakPolarHBondContact O-CD2 3.26Å; N436-F438 PolarHBondContact O-N 3.26Å; N436-F438 WeakPolarHBondContact OD1-CA 3.28Å; N436-F438 WeakPolarHBondContact OD1-CB 3.48Å; N436-F438 PolarHBondContact OD1-N 3.14Å; N436-F438 PolarHBondContact OD1-O 3.15Å; F438-E440 HydrophobicContact CB-CG 4.12Å; F438-E440 PolarHBondContact O-N 3.16Å; F438-E440 VanDerWaalsContact O-N 3.13Å; F438-E443 VanDerWaalsContact O-OE2 3.1Å; F438-D446 WeakPolarHBondContact O-CB 3.08Å
439	L	70.8	Confident	69.4	Low	119 Å²	119	39 Å²	39	62%	0.623	25%	0.254	S	S	*	.			trans	-75.7	104.5	173	-176.9	64.2	0	0	0	109.5	E443	L439-E443 HydrophobicContact CD1-CB 4.04Å
440	E	70.5	Confident	70.8	Confident	11 Å²	11	40.3 Å²	40.3	5%	0.051	27%	0.267	C	S	.	.			trans	-105.6	162.6	-176	-66.6	-177.4	108.3	0	0	112.8	P432 V433 N436 F438 G442 E443	P432-E440 WeakPolarHBondContact CA-OE2 3.27Å; P432-E440 HydrophobicContact CB-CB 3.75Å; P432-E440 HydrophobicContact CG-CB 4.44Å; V433-E440 PolarHBondContact N-OE2 3.28Å; N436-E440 PolarHBondContact ND2-OE2 2.93Å; F438-E440 HydrophobicContact CB-CG 4.12Å; F438-E440 PolarHBondContact O-N 3.16Å; F438-E440 VanDerWaalsContact O-N 3.13Å; E440-G442 PolarHBondContact O-N 2.95Å; E440-G442 VanDerWaalsContact O-N 3.1Å; E440-E443 PolarHBondContact N-OE2 3.31Å; E440-E443 VanDerWaalsContact N-OE2 3.1Å; E440-E443 PolarHBondContact O-N 3.11Å; E440-E443 VanDerWaalsContact O-N 3.11Å
441	P	68.9	Low	71.4	Confident	94 Å²	94	43 Å²	43	61%	0.61	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	116.5	-179.5	-25.2	35.1	0	0	0	112.8	A425 P432	A425-P441 HydrophobicContact CB-CG 4.34Å; P432-P441 WeakPolarHBondContact CB-O 3.27Å; P432-P441 WeakPolarHBondContact CG-O 3.32Å
442	G	76.8	Confident	72	Confident	60 Å²	60	45 Å²	45	62%	0.619	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.2	-18.2	-178.6	0	0	0	0	0	113.5	E440 K464	E440-G442 PolarHBondContact O-N 2.95Å; E440-G442 VanDerWaalsContact O-N 3.1Å; G442-K464 PolarHBondContact O-NZ 3.01Å
443	E	86.5	Confident	72.9	Confident	28 Å²	28	42.6 Å²	42.6	13%	0.131	25%	0.254	C	S	.	.			trans	-93.3	155.1	174.4	-62.5	169.2	174.9	0	0	110.7	V433 C434 F438 L439 E440 C463	V433-E443 PolarHBondContact N-OE1 2.99Å; C434-E443 VanDerWaalsContact CA-OE1 3.28Å; C434-E443 WeakPolarHBondContact CA-OE1 3.02Å; C434-E443 PolarHBondContact N-OE1 3.27Å; F438-E443 VanDerWaalsContact O-OE2 3.1Å; L439-E443 HydrophobicContact CD1-CB 4.04Å; E440-E443 PolarHBondContact N-OE2 3.31Å; E440-E443 VanDerWaalsContact N-OE2 3.1Å; E440-E443 PolarHBondContact O-N 3.11Å; E440-E443 VanDerWaalsContact O-N 3.11Å; E443-C463 HydrophobicContact CB-CB 4.03Å; E443-C463 HydrophobicContact CG-CB 3.72Å
444	E	86.1	Confident	73.7	Confident	96 Å²	96	50.7 Å²	50.7	45%	0.449	29%	0.287	S	S	.	.	S	Bend	trans	-110	-18.9	174.5	-65.6	161.2	-161.7	0	0	111.7	C463 K464 L465	E444-C463 PolarHBondContact N-O 3.11Å; E444-K464 HydrophobicContact CB-CD 4.42Å; E444-K464 HydrophobicContact CG-CD 3.96Å; E444-K464 VanDerWaalsContact OE1-CD 3.3Å; E444-K464 WeakPolarHBondContact OE1-CD 3.28Å; E444-K464 IonicContact OE1-NZ 3.62Å; E444-K464 PolarHBondContact OE1-NZ 2.63Å; E444-L465 HydrophobicContact CB-CD1 4.3Å; E444-L465 HydrophobicContact CB-CG 3.91Å; E444-L465 PolarHBondContact OE2-N 3.24Å
445	C	85.6	Confident	74.1	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.014	28%	0.277	C	S	.	.			trans	-161.1	150.2	174.9	62.8	0	0	0	0	109.4	C458 C463 K464 L465 A472	C445-C458 VanDerWaalsContact C-SG 3.51Å; C445-C458 HydrophobicContact CB-CB 3.71Å; C445-C458 WeakPolarHBondContact CB-SG 3.3Å; C445-C458 PolarHBondContact O-SG 3.07Å; C445-C458 WeakPolarHBondContact SG-CA 3.44Å; C445-C458 WeakPolarHBondContact SG-CB 3.29Å; C445-C458 CovalentContact SG-SG 2.03Å; C445-C458 PolarHBondContact SG-SG 3.42Å; C445-C463 PolarHBondContact N-O 2Å; C445-C463 CarbonylContact O-C 3.55Å; C445-C463 WeakPolarHBondContact O-CA 3.49Å; C445-C463 WeakPolarHBondContact O-CB 3.25Å; C445-K464 PolarHBondContact SG-O 2.89Å; C445-L465 HydrophobicContact CB-CD2 4.1Å; C445-A472 HydrophobicContact CB-CB 3.42Å; C445-A472 VanDerWaalsContact CB-CB 3.42Å
446	D	82.4	Confident	75	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.016	31%	0.306	C	S	.	.			trans	-142.3	118.6	166.9	-171.2	-28.9	0	0	0	108.1	G435 N436 A437 F438 G448	G435-D446 VanDerWaalsContact CA-OD1 3.31Å; G435-D446 WeakPolarHBondContact CA-OD1 2.98Å; G435-D446 WeakPolarHBondContact CA-OD2 3.49Å; G435-D446 VanDerWaalsContact N-CG 3.35Å; G435-D446 PolarHBondContact N-OD1 3.14Å; G435-D446 PolarHBondContact N-OD2 3.29Å; N436-D446 PolarHBondContact N-OD1 2.79Å; N436-D446 PolarHBondContact N-OD2 2.85Å; N436-D446 PolarHBondContact OD1-OD2 2.91Å; N436-D446 VanDerWaalsContact OD1-OD2 3.07Å; A437-D446 VanDerWaalsContact CA-OD1 3.26Å; A437-D446 WeakPolarHBondContact CA-OD1 3.02Å; A437-D446 PolarHBondContact N-OD1 2.85Å; A437-D446 PolarHBondContact N-OD2 3.5Å; F438-D446 WeakPolarHBondContact O-CB 3.08Å; D446-G448 PolarHBondContact OD1-N 2.8Å
447	C	77.6	Confident	76.4	Confident	20 Å²	20	53.1 Å²	53.1	14%	0.135	30%	0.302	C	S	.	.			trans	-111.8	16.5	-177.3	50.5	0	0	0	0	112.8	C453 N455 C458	C447-C453 HydrophobicContact CB-CB 3.81Å; C447-C453 WeakPolarHBondContact CB-SG 3.46Å; C447-C453 WeakPolarHBondContact SG-CB 3.35Å; C447-C453 CovalentContact SG-SG 2.02Å; C447-C453 PolarHBondContact SG-SG 3Å; C447-N455 HydrophobicContact CB-CB 3.87Å; C447-C458 HydrophobicContact CB-CB 4.32Å
448	G	71.3	Confident	77.5	Confident	1 Å²	1	51 Å²	51	1%	0.01	28%	0.283	C	S	.	.	S	Bend	trans	85.6	-164.5	-170.6	0	0	0	0	0	112.4	G435 D446	G435-G448 WeakPolarHBondContact CA-O 3.48Å; G435-G448 CarbonylContact O-C 3.53Å; G435-G448 VanDerWaalsContact O-CA 3.26Å; G435-G448 WeakPolarHBondContact O-CA 3.37Å; D446-G448 PolarHBondContact OD1-N 2.8Å
449	T	71.9	Confident	78.8	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.043	29%	0.292	C	S	.	.	S	Bend	trans	-61.9	163.8	-177.4	89.1	0	0	0	0	111.5	E84 G435 E451 E452 C453	E84-T449 VanDerWaalsContact CD-CG2 3.47Å; E84-T449 VanDerWaalsContact OE1-CB 3.3Å; E84-T449 WeakPolarHBondContact OE1-CB 3.31Å; E84-T449 WeakPolarHBondContact OE2-CG2 2.92Å; G435-T449 PolarHBondContact O-N 3.29Å; T449-E451 PolarHBondContact O-N 3.43Å; T449-E451 VanDerWaalsContact O-N 3.13Å; T449-E451 PolarHBondContact OG1-N 3.01Å; T449-E451 PolarHBondContact OG1-OE2 3.31Å; T449-E452 HydrophobicContact CG2-CG 4.32Å; T449-E452 PolarHBondContact O-N 3.47Å; T449-E452 PolarHBondContact OG1-N 2.85Å; T449-C453 WeakPolarHBondContact O-CB 3.27Å; T449-C453 PolarHBondContact O-N 3.46Å
450	V	73.8	Confident	79.4	Confident	77 Å²	77	47.4 Å²	47.4	47%	0.467	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.9	-179.7	178.9	0	0	0	0	112.4	A460	V450-A460 HydrophobicContact CB-CB 4.39Å; V450-A460 HydrophobicContact CG2-CB 4.08Å
451	E	60.8	Low	80	Confident	92 Å²	92	51.7 Å²	51.7	43%	0.43	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-31.6	-178.2	-53	79.4	-168.9	0	0	112.8	H121 T449	H121-E451 VanDerWaalsContact CE1-CG 3.49Å; H121-E451 WeakPolarHBondContact CE1-CG 3.22Å; H121-E451 IonicContact CE1-OE1 2.8Å; H121-E451 IonicContact CE1-OE2 2.91Å; H121-E451 PolarHBondContact CE1-OE2 2.87Å; H121-E451 VanDerWaalsContact CE1-OE2 3.22Å; H121-E451 IonicContact ND1-OE2 2.73Å; H121-E451 WeakPolarHBondContact NE2-CG 3.45Å; H121-E451 IonicContact NE2-OE1 3.05Å; T449-E451 PolarHBondContact O-N 3.43Å; T449-E451 VanDerWaalsContact O-N 3.13Å; T449-E451 PolarHBondContact OG1-N 3.01Å; T449-E451 PolarHBondContact OG1-OE2 3.31Å
452	E	66.2	Low	80.9	Confident	81 Å²	81	50.7 Å²	50.7	38%	0.379	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-29.7	174.8	-68.4	-176	177.1	0	0	111.6	R263 T449 K454	R263-E452 IonicContact CZ-OE1 3.2Å; R263-E452 IonicContact CZ-OE2 3.36Å; R263-E452 IonicContact NE-OE2 2.6Å; R263-E452 IonicContact NH2-OE1 2.77Å; R263-E452 IonicContact NH2-OE2 3.45Å; R263-E452 PolarHBondContact NH2-OE2 3.33Å; T449-E452 HydrophobicContact CG2-CG 4.32Å; T449-E452 PolarHBondContact O-N 3.47Å; T449-E452 PolarHBondContact OG1-N 2.85Å; E452-K454 PolarHBondContact O-N 3.31Å
453	C	78	Confident	81.4	Confident	22 Å²	22	47.8 Å²	47.8	15%	0.149	26%	0.258	C	S	.	.			trans	-70.8	101.5	-176.1	-178.1	0	0	0	0	111.8	C447 T449 N455 A460	C447-C453 HydrophobicContact CB-CB 3.81Å; C447-C453 WeakPolarHBondContact CB-SG 3.46Å; C447-C453 WeakPolarHBondContact SG-CB 3.35Å; C447-C453 CovalentContact SG-SG 2.02Å; C447-C453 PolarHBondContact SG-SG 3Å; T449-C453 WeakPolarHBondContact O-CB 3.27Å; T449-C453 PolarHBondContact O-N 3.46Å; C453-N455 VanDerWaalsContact C-N 3.31Å; C453-A460 HydrophobicContact CB-CB 3.57Å
454	K	81.1	Confident	81.7	Confident	196 Å²	196	50.1 Å²	50.1	85%	0.852	27%	0.267	S	S	*	.			trans	-90.5	4.4	170.5	-62.4	178.9	-176.3	178.5	0	112.8	E452 P456	E452-K454 PolarHBondContact O-N 3.31Å; K454-P456 VanDerWaalsContact O-CD 3.27Å; K454-P456 WeakPolarHBondContact O-CD 3.44Å
455	N	82.1	Confident	82	Confident	23 Å²	23	47.6 Å²	47.6	12%	0.123	26%	0.256	C	S	.	.			trans	-87.5	106.8	-173	-168	-25.1	0	0	0	110.6	C447 C453 C457 C458 A472	C447-N455 HydrophobicContact CB-CB 3.87Å; C453-N455 VanDerWaalsContact C-N 3.31Å; N455-C457 PolarHBondContact O-N 3.39Å; N455-C457 VanDerWaalsContact O-N 3.07Å; N455-C457 VanDerWaalsContact OD1-CB 3.24Å; N455-C457 WeakPolarHBondContact OD1-CB 3.47Å; N455-C457 PolarHBondContact OD1-N 3.49Å; N455-C457 VanDerWaalsContact OD1-N 3.08Å; N455-C457 PolarHBondContact OD1-SG 3.04Å; N455-C457 VanDerWaalsContact OD1-SG 3.35Å; N455-C458 PolarHBondContact O-N 3.39Å; N455-A472 PolarHBondContact ND2-O 2.88Å
456	P	88	Confident	82.3	Confident	101 Å²	101	50.2 Å²	50.2	66%	0.656	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.2	-176	30.9	-36.8	0	0	0	113.3	K454 N466	K454-P456 VanDerWaalsContact O-CD 3.27Å; K454-P456 WeakPolarHBondContact O-CD 3.44Å; P456-N466 PolarHBondContact O-ND2 3.31Å
457	C	92.5	Very high	82.7	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.047	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-19.3	-177.3	-46	0	0	0	0	112.9	N455 N466 A469 C471 A472 C480	N455-C457 PolarHBondContact O-N 3.39Å; N455-C457 VanDerWaalsContact O-N 3.07Å; N455-C457 VanDerWaalsContact OD1-CB 3.24Å; N455-C457 WeakPolarHBondContact OD1-CB 3.47Å; N455-C457 PolarHBondContact OD1-N 3.49Å; N455-C457 VanDerWaalsContact OD1-N 3.08Å; N455-C457 PolarHBondContact OD1-SG 3.04Å; N455-C457 VanDerWaalsContact OD1-SG 3.35Å; C457-N466 PolarHBondContact O-N 2.63Å; C457-A469 HydrophobicContact CB-CB 4.3Å; C457-C471 WeakPolarHBondContact CB-O 3.45Å; C457-A472 HydrophobicContact CB-CB 3.81Å; C457-C480 WeakPolarHBondContact CA-SG 3.31Å; C457-C480 HydrophobicContact CB-CB 3.57Å; C457-C480 WeakPolarHBondContact CB-SG 3.26Å; C457-C480 WeakPolarHBondContact SG-CA 3.39Å; C457-C480 WeakPolarHBondContact SG-CB 3.24Å; C457-C480 PolarHBondContact SG-N 3.47Å; C457-C480 VanDerWaalsContact SG-N 3.37Å; C457-C480 CovalentContact SG-SG 2.03Å; C457-C480 PolarHBondContact SG-SG 2.82Å
458	C	92.1	Very high	83.2	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.041	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.3	-177.4	-168	0	0	0	0	110.5	C445 C447 N455 A460 A472	C445-C458 VanDerWaalsContact C-SG 3.51Å; C445-C458 HydrophobicContact CB-CB 3.71Å; C445-C458 WeakPolarHBondContact CB-SG 3.3Å; C445-C458 PolarHBondContact O-SG 3.07Å; C445-C458 WeakPolarHBondContact SG-CA 3.44Å; C445-C458 WeakPolarHBondContact SG-CB 3.29Å; C445-C458 CovalentContact SG-SG 2.03Å; C445-C458 PolarHBondContact SG-SG 3.42Å; C447-C458 HydrophobicContact CB-CB 4.32Å; N455-C458 PolarHBondContact O-N 3.39Å; C458-A460 PolarHBondContact O-N 2.64Å; C458-A472 HydrophobicContact CB-CB 3.91Å
459	N	91.6	Very high	84.2	Confident	55 Å²	55	58.4 Å²	58.4	29%	0.294	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	99.2	166.1	-171.1	-37.9	0	0	0	108.6	T461 T462 C463 K464 N466	N459-T461 PolarHBondContact O-N 2.86Å; N459-T461 WeakPolarHBondContact OD1-CB 3.39Å; N459-T461 PolarHBondContact OD1-N 3.4Å; N459-T462 WeakPolarHBondContact CB-OG1 3.43Å; N459-T462 VanDerWaalsContact CG-OG1 3.29Å; N459-T462 PolarHBondContact O-N 2.89Å; N459-T462 PolarHBondContact OD1-N 2.89Å; N459-C463 WeakPolarHBondContact O-CA 2.96Å; N459-C463 PolarHBondContact O-N 3.42Å; N459-K464 WeakPolarHBondContact CB-O 3.49Å; N459-K464 PolarHBondContact N-O 2.89Å; N459-N466 WeakPolarHBondContact CB-OD1 3.37Å
460	A	84.6	Confident	85.1	Confident	13 Å²	13	63.5 Å²	63.5	11%	0.107	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.3	-178.9	0	0	0	0	0	114.3	C434 V450 C453 C458	C434-A460 PolarHBondContact SG-O 2.88Å; C434-A460 VanDerWaalsContact SG-O 3.35Å; V450-A460 HydrophobicContact CB-CB 4.39Å; V450-A460 HydrophobicContact CG2-CB 4.08Å; C453-A460 HydrophobicContact CB-CB 3.57Å; C458-A460 PolarHBondContact O-N 2.64Å
461	T	82.2	Confident	85.8	Confident	102 Å²	102	60 Å²	60	63%	0.626	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-27.3	177	-48.2	0	0	0	0	112.3	N459	N459-T461 PolarHBondContact O-N 2.86Å; N459-T461 WeakPolarHBondContact OD1-CB 3.39Å; N459-T461 PolarHBondContact OD1-N 3.4Å
462	T	87.1	Confident	86.9	Confident	72 Å²	72	56 Å²	56	44%	0.442	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-11.8	-173.2	64.4	0	0	0	0	114	C434 N459 K464	C434-T462 VanDerWaalsContact SG-C 3.54Å; N459-T462 WeakPolarHBondContact CB-OG1 3.43Å; N459-T462 VanDerWaalsContact CG-OG1 3.29Å; N459-T462 PolarHBondContact O-N 2.89Å; N459-T462 PolarHBondContact OD1-N 2.89Å; T462-K464 PolarHBondContact O-N 2.88Å
463	C	88.6	Confident	87.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	36.4	-174.7	-69.8	0	0	0	0	112.5	C434 G435 E443 E444 C445 N459	C434-C463 VanDerWaalsContact C-SG 3.6Å; C434-C463 WeakPolarHBondContact CA-SG 3.48Å; C434-C463 HydrophobicContact CB-CB 3.51Å; C434-C463 WeakPolarHBondContact CB-SG 3.15Å; C434-C463 VanDerWaalsContact SG-CA 3.54Å; C434-C463 WeakPolarHBondContact SG-CB 3.5Å; C434-C463 PolarHBondContact SG-N 2.78Å; C434-C463 CovalentContact SG-SG 2.02Å; C434-C463 PolarHBondContact SG-SG 2.85Å; G435-C463 PolarHBondContact N-SG 2.86Å; G435-C463 VanDerWaalsContact N-SG 3.39Å; E443-C463 HydrophobicContact CB-CB 4.03Å; E443-C463 HydrophobicContact CG-CB 3.72Å; E444-C463 PolarHBondContact N-O 3.11Å; C445-C463 PolarHBondContact N-O 2Å; C445-C463 CarbonylContact O-C 3.55Å; C445-C463 WeakPolarHBondContact O-CA 3.49Å; C445-C463 WeakPolarHBondContact O-CB 3.25Å; N459-C463 WeakPolarHBondContact O-CA 2.96Å; N459-C463 PolarHBondContact O-N 3.42Å
464	K	92.9	Very high	87.1	Confident	77 Å²	77	56.3 Å²	56.3	34%	0.335	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.4	174.5	-64.6	-61.1	-174.6	-179.1	0	109.9	G442 E444 C445 N459 T462	G442-K464 PolarHBondContact O-NZ 3.01Å; E444-K464 HydrophobicContact CB-CD 4.42Å; E444-K464 HydrophobicContact CG-CD 3.96Å; E444-K464 VanDerWaalsContact OE1-CD 3.3Å; E444-K464 WeakPolarHBondContact OE1-CD 3.28Å; E444-K464 IonicContact OE1-NZ 3.62Å; E444-K464 PolarHBondContact OE1-NZ 2.63Å; C445-K464 PolarHBondContact SG-O 2.89Å; N459-K464 WeakPolarHBondContact CB-O 3.49Å; N459-K464 PolarHBondContact N-O 2.89Å; T462-K464 PolarHBondContact O-N 2.88Å
465	L	92.3	Very high	86.8	Confident	42 Å²	42	50.1 Å²	50.1	22%	0.22	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.4	173.6	-68.4	172.9	0	0	0	109.6	E444 C445 A469 C471 A472	E444-L465 HydrophobicContact CB-CD1 4.3Å; E444-L465 HydrophobicContact CB-CG 3.91Å; E444-L465 PolarHBondContact OE2-N 3.24Å; C445-L465 HydrophobicContact CB-CD2 4.1Å; L465-A469 HydrophobicContact CB-CB 4.17Å; L465-A469 HydrophobicContact CD2-CB 4.39Å; L465-C471 VanDerWaalsContact CD2-C 3.47Å; L465-A472 HydrophobicContact CD2-CB 3.56Å
466	N	91.9	Very high	87.1	Confident	57 Å²	57	49 Å²	49	31%	0.305	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-64.3	153.9	172.1	-81.3	-30.4	0	0	0	110.3	P456 C457 N459 G468 A469	P456-N466 PolarHBondContact O-ND2 3.31Å; C457-N466 PolarHBondContact O-N 2.63Å; N459-N466 WeakPolarHBondContact CB-OD1 3.37Å; N466-G468 PolarHBondContact O-N 3.47Å; N466-A469 VanDerWaalsContact O-CB 3.24Å; N466-A469 WeakPolarHBondContact O-CB 3.31Å; N466-A469 PolarHBondContact O-N 2.82Å
467	A	89.9	Confident	87	Confident	112 Å²	112	45.3 Å²	45.3	93%	0.926	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	126.1	-179.6	0	0	0	0	0	111.2
468	G	87.5	Confident	86.9	Confident	66 Å²	66	50.2 Å²	50.2	68%	0.68	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-2.3	-177	0	0	0	0	0	115.1	N466 Q481	N466-G468 PolarHBondContact O-N 3.47Å; G468-Q481 PolarHBondContact O-NE2 2.99Å
469	A	92.8	Very high	86.7	Confident	18 Å²	18	58 Å²	58	15%	0.149	34%	0.338	C	S	.	.			trans	-86.1	130.6	171	0	0	0	0	0	111	C457 L465 N466 C480	C457-A469 HydrophobicContact CB-CB 4.3Å; L465-A469 HydrophobicContact CB-CB 4.17Å; L465-A469 HydrophobicContact CD2-CB 4.39Å; N466-A469 VanDerWaalsContact O-CB 3.24Å; N466-A469 WeakPolarHBondContact O-CB 3.31Å; N466-A469 PolarHBondContact O-N 2.82Å; A469-C480 CarbonylContact C-O 3.53Å; A469-C480 WeakPolarHBondContact CA-O 3.49Å; A469-C480 HydrophobicContact CB-CB 3.69Å
470	E	91.6	Very high	86.8	Confident	114 Å²	114	56.4 Å²	56.4	53%	0.533	33%	0.331	S	S	.	.	S	Bend	trans	-93.9	-20.2	171.6	-62.5	-178.5	166	0	0	111.8	C480 L482	E470-C480 PolarHBondContact N-O 3.34Å; E470-L482 HydrophobicContact CB-CG 4.08Å; E470-L482 PolarHBondContact OE2-N 3.15Å
471	C	88.6	Confident	87.2	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.027	34%	0.344	C	S	.	.			trans	-152.4	156.9	179.2	61.2	0	0	0	0	110.5	C457 L465 C477 C480 Q481 L482 A507	C457-C471 WeakPolarHBondContact CB-O 3.45Å; L465-C471 VanDerWaalsContact CD2-C 3.47Å; C471-C477 HydrophobicContact CB-CB 3.79Å; C471-C477 WeakPolarHBondContact CB-SG 3.42Å; C471-C477 PolarHBondContact O-SG 2.91Å; C471-C477 VanDerWaalsContact O-SG 3.38Å; C471-C477 WeakPolarHBondContact SG-CA 3.41Å; C471-C477 WeakPolarHBondContact SG-CB 3.15Å; C471-C477 CovalentContact SG-SG 2.04Å; C471-C477 PolarHBondContact SG-SG 3.36Å; C471-C480 PolarHBondContact N-O 3.47Å; C471-C480 WeakPolarHBondContact O-CA 3.23Å; C471-Q481 PolarHBondContact SG-O 3.44Å; C471-L482 HydrophobicContact CB-CD2 3.89Å; C471-A507 HydrophobicContact CB-CB 3.47Å; C471-A507 VanDerWaalsContact CB-CB 3.47Å
472	A	84.3	Confident	87.6	Confident	8 Å²	8	56.6 Å²	56.6	7%	0.066	32%	0.324	C	S	.	.	S	Bend	trans	-116.7	-37.3	168.2	0	0	0	0	0	112.4	C445 N455 C457 C458 L465	C445-A472 HydrophobicContact CB-CB 3.42Å; C445-A472 VanDerWaalsContact CB-CB 3.42Å; N455-A472 PolarHBondContact ND2-O 2.88Å; C457-A472 HydrophobicContact CB-CB 3.81Å; C458-A472 HydrophobicContact CB-CB 3.91Å; L465-A472 HydrophobicContact CD2-CB 3.56Å
473	E	76.1	Confident	87.6	Confident	79 Å²	79	55.7 Å²	55.7	37%	0.369	31%	0.313	S	S	.	.	S	Bend	trans	-133.3	158.2	-171.2	-51.7	-133.1	118.1	0	0	111.6	K221 A507	K221-E473 IonicContact NZ-OE1 3.83Å; K221-E473 PolarHBondContact NZ-OE1 2.86Å; E473-A507 WeakPolarHBondContact O-CB 3Å
474	G	71	Confident	87.6	Confident	30 Å²	30	60.1 Å²	60.1	31%	0.309	34%	0.342	S	S	.	.	S	Bend	trans	109.1	152.5	-178.6	0	0	0	0	0	113.7	C476 C477 A507	G474-C476 PolarHBondContact O-N 2.79Å; G474-C477 WeakPolarHBondContact O-CB 3.09Å; G474-C477 PolarHBondContact O-N 2.96Å; G474-A507 CarbonylContact C-O 3.59Å; G474-A507 VanDerWaalsContact CA-O 3.25Å; G474-A507 WeakPolarHBondContact CA-O 3.16Å
475	Q	75.7	Confident	87.2	Confident	67 Å²	67	59.9 Å²	59.9	31%	0.313	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.3	-173.1	-62.8	172.9	-18.9	0	0	113.5	K483 C489 A507 C509	Q475-K483 WeakPolarHBondContact O-CE 3.43Å; Q475-K483 PolarHBondContact O-NZ 3.38Å; Q475-C489 HydrophobicContact CB-CB 3.87Å; Q475-A507 PolarHBondContact N-O 2.85Å; Q475-C509 HydrophobicContact CB-CB 4.1Å
476	C	87.1	Confident	86.7	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	11.4	173.2	-70.1	0	0	0	0	113.6	G474 K483 C489 C502 S506 A507	G474-C476 PolarHBondContact O-N 2.79Å; C476-K483 PolarHBondContact O-N 2.66Å; C476-C489 WeakPolarHBondContact SG-CB 3.39Å; C476-C502 WeakPolarHBondContact CA-SG 3.26Å; C476-C502 HydrophobicContact CB-CB 3.76Å; C476-C502 WeakPolarHBondContact CB-SG 3.29Å; C476-C502 WeakPolarHBondContact SG-CA 3.14Å; C476-C502 WeakPolarHBondContact SG-CB 3.11Å; C476-C502 CovalentContact SG-SG 2.04Å; C476-C502 PolarHBondContact SG-SG 2.8Å; C476-S506 VanDerWaalsContact CB-O 3.27Å; C476-S506 WeakPolarHBondContact CB-O 3.5Å; C476-A507 WeakPolarHBondContact CA-O 3.24Å; C476-A507 VanDerWaalsContact CB-O 3.3Å; C476-A507 WeakPolarHBondContact CB-O 3.42Å; C476-A507 PolarHBondContact N-O 2.95Å
477	C	87.7	Confident	86.4	Confident	23 Å²	23	57.8 Å²	57.8	16%	0.155	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.6	170.5	-164.2	0	0	0	0	110.5	C471 G474 A507	C471-C477 HydrophobicContact CB-CB 3.79Å; C471-C477 WeakPolarHBondContact CB-SG 3.42Å; C471-C477 PolarHBondContact O-SG 2.91Å; C471-C477 VanDerWaalsContact O-SG 3.38Å; C471-C477 WeakPolarHBondContact SG-CA 3.41Å; C471-C477 WeakPolarHBondContact SG-CB 3.15Å; C471-C477 CovalentContact SG-SG 2.04Å; C471-C477 PolarHBondContact SG-SG 3.36Å; G474-C477 WeakPolarHBondContact O-CB 3.09Å; G474-C477 PolarHBondContact O-N 2.96Å; C477-A507 HydrophobicContact CB-CB 4.37Å
478	H	88.7	Confident	86	Confident	109 Å²	109	57.1 Å²	57.1	51%	0.505	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	121.4	172.4	-174.3	66.8	0	0	0	110.1	C480 Q481 K483	H478-C480 PolarHBondContact O-N 2.8Å; H478-Q481 PolarHBondContact N-O 3.27Å; H478-Q481 PolarHBondContact O-N 3.35Å; H478-K483 HydrophobicContact CB-CG 3.85Å
479	K	89.3	Confident	85.6	Confident	170 Å²	170	54.7 Å²	54.7	74%	0.739	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	47.2	-177.8	-61.2	179.4	179.6	-179.4	0	112.5	Q481	K479-Q481 PolarHBondContact O-N 2.86Å; K479-Q481 VanDerWaalsContact O-N 3.15Å
480	C	92.2	Very high	85.1	Confident	22 Å²	22	56 Å²	56	15%	0.149	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	8	179.9	-40	0	0	0	0	115.9	C457 A469 E470 C471 H478	C457-C480 WeakPolarHBondContact CA-SG 3.31Å; C457-C480 HydrophobicContact CB-CB 3.57Å; C457-C480 WeakPolarHBondContact CB-SG 3.26Å; C457-C480 WeakPolarHBondContact SG-CA 3.39Å; C457-C480 WeakPolarHBondContact SG-CB 3.24Å; C457-C480 PolarHBondContact SG-N 3.47Å; C457-C480 VanDerWaalsContact SG-N 3.37Å; C457-C480 CovalentContact SG-SG 2.03Å; C457-C480 PolarHBondContact SG-SG 2.82Å; A469-C480 CarbonylContact C-O 3.53Å; A469-C480 WeakPolarHBondContact CA-O 3.49Å; A469-C480 HydrophobicContact CB-CB 3.69Å; E470-C480 PolarHBondContact N-O 3.34Å; C471-C480 PolarHBondContact N-O 3.47Å; C471-C480 WeakPolarHBondContact O-CA 3.23Å; H478-C480 PolarHBondContact O-N 2.8Å
481	Q	93.5	Very high	84.3	Confident	80 Å²	80	53.4 Å²	53.4	37%	0.374	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.4	177.4	-59.8	-58.3	-39.1	0	0	110.4	G468 C471 H478 K479 K483	G468-Q481 PolarHBondContact O-NE2 2.99Å; C471-Q481 PolarHBondContact SG-O 3.44Å; H478-Q481 PolarHBondContact N-O 3.27Å; H478-Q481 PolarHBondContact O-N 3.35Å; K479-Q481 PolarHBondContact O-N 2.86Å; K479-Q481 VanDerWaalsContact O-N 3.15Å; Q481-K483 PolarHBondContact O-N 2.73Å
482	L	90.9	Very high	83.7	Confident	38 Å²	38	60 Å²	60	20%	0.199	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.1	170.7	-66.2	178.1	0	0	0	109.6	E470 C471 S506 A507	E470-L482 HydrophobicContact CB-CG 4.08Å; E470-L482 PolarHBondContact OE2-N 3.15Å; C471-L482 HydrophobicContact CB-CD2 3.89Å; L482-S506 VanDerWaalsContact CD2-C 3.42Å; L482-A507 HydrophobicContact CD2-CB 3.76Å; L482-A507 VanDerWaalsContact CD2-N 3.29Å
483	K	88.2	Confident	83	Confident	53 Å²	53	64.1 Å²	64.1	23%	0.23	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-62.9	140.4	172.4	-74.6	-174.4	-176.2	166.9	0	109.1	Q475 C476 H478 Q481 C502 G504	Q475-K483 WeakPolarHBondContact O-CE 3.43Å; Q475-K483 PolarHBondContact O-NZ 3.38Å; C476-K483 PolarHBondContact O-N 2.66Å; H478-K483 HydrophobicContact CB-CG 3.85Å; Q481-K483 PolarHBondContact O-N 2.73Å; K483-C502 HydrophobicContact CB-CB 4.12Å; K483-G504 WeakPolarHBondContact O-CA 3.49Å
484	P	87.6	Confident	82.8	Confident	93 Å²	93	62 Å²	62	60%	0.604	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-60.9	151.9	-179.8	24.5	-32.1	0	0	0	111.1	G486 S487	P484-G486 PolarHBondContact O-N 3.11Å; P484-S487 WeakPolarHBondContact CD-OG 3.24Å; P484-S487 WeakPolarHBondContact CG-OG 3.07Å; P484-S487 VanDerWaalsContact O-CB 3.27Å; P484-S487 WeakPolarHBondContact O-CB 3.18Å; P484-S487 PolarHBondContact O-N 3.49Å; P484-S487 PolarHBondContact O-OG 3.22Å
485	T	84.8	Confident	83.3	Confident	73 Å²	73	65 Å²	65	45%	0.448	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	134.1	177.1	-49.4	0	0	0	0	110.7	C502 T503	T485-C502 CarbonylContact C-O 3.21Å; T485-C502 VanDerWaalsContact CA-O 3.28Å; T485-C502 WeakPolarHBondContact CA-O 3.33Å; T485-T503 WeakPolarHBondContact CG2-O 3.04Å; T485-T503 PolarHBondContact OG1-O 3.47Å
486	G	82.1	Confident	83.6	Confident	23 Å²	23	62 Å²	62	24%	0.237	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	90	-5	-177.4	0	0	0	0	0	114.8	P484 Y501 C502	P484-G486 PolarHBondContact O-N 3.11Å; G486-Y501 VanDerWaalsContact O-CD1 3.26Å; G486-Y501 WeakPolarHBondContact O-CD1 3.13Å; G486-C502 PolarHBondContact N-O 2.74Å
487	S	84.7	Confident	83.3	Confident	31 Å²	31	62.7 Å²	62.7	22%	0.217	35%	0.352	C	S	.	.			trans	-69.3	130.6	174.8	-62.3	0	0	0	0	111.7	P484 C489 Y501 C502	P484-S487 WeakPolarHBondContact CD-OG 3.24Å; P484-S487 WeakPolarHBondContact CG-OG 3.07Å; P484-S487 VanDerWaalsContact O-CB 3.27Å; P484-S487 WeakPolarHBondContact O-CB 3.18Å; P484-S487 PolarHBondContact O-N 3.49Å; P484-S487 PolarHBondContact O-OG 3.22Å; S487-C489 PolarHBondContact O-N 3.11Å; S487-Y501 CarbonylContact O-C 3.51Å; S487-Y501 VanDerWaalsContact O-CA 3.25Å; S487-Y501 WeakPolarHBondContact O-CA 3.38Å; S487-C502 PolarHBondContact O-N 3.39Å; S487-C502 PolarHBondContact O-SG 2.03Å; S487-C502 VanDerWaalsContact O-SG 3.39Å
488	I	81.8	Confident	83	Confident	98 Å²	98	62.2 Å²	62.2	50%	0.503	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	122.6	177.7	-60.8	166.1	0	0	0	110	Y501	I488-Y501 HydrophobicContact CD1-CE1 4.33Å; I488-Y501 HydrophobicContact CG1-CD1 3.73Å; I488-Y501 HydrophobicContact CG1-CE1 3.51Å
489	C	79.3	Confident	82.7	Confident	16 Å²	16	57.8 Å²	57.8	11%	0.108	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-36	171.1	49.6	0	0	0	0	112.9	Q475 C476 S487 E500 C509	Q475-C489 HydrophobicContact CB-CB 3.87Å; C476-C489 WeakPolarHBondContact SG-CB 3.39Å; S487-C489 PolarHBondContact O-N 3.11Å; C489-E500 PolarHBondContact N-O 3.05Å; C489-E500 PolarHBondContact SG-O 2.81Å; C489-E500 VanDerWaalsContact SG-O 3.41Å; C489-C509 HydrophobicContact CB-CB 3.64Å; C489-C509 WeakPolarHBondContact CB-SG 3.34Å; C489-C509 VanDerWaalsContact SG-CA 3.51Å; C489-C509 WeakPolarHBondContact SG-CB 3.37Å; C489-C509 CovalentContact SG-SG 2.04Å; C489-C509 PolarHBondContact SG-SG 2.8Å
490	R	81.9	Confident	82.4	Confident	44 Å²	44	49.8 Å²	49.8	17%	0.166	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118	172.5	-173.9	-176.3	75.2	93.2	19.6	109.3	D497 L498 A499 E500 D512	R490-D497 IonicContact CZ-OD1 3.41Å; R490-D497 IonicContact CZ-OD2 3.76Å; R490-D497 VanDerWaalsContact NH1-CG 3.34Å; R490-D497 IonicContact NH1-OD1 3.27Å; R490-D497 PolarHBondContact NH1-OD1 3.5Å; R490-D497 IonicContact NH1-OD2 2.89Å; R490-D497 PolarHBondContact NH1-OD2 2.73Å; R490-D497 IonicContact NH2-OD1 2.93Å; R490-D497 PolarHBondContact NH2-OD1 2.8Å; R490-D497 IonicContact NH2-OD2 2.75Å; R490-D497 PolarHBondContact NH2-OD2 3.18Å; R490-L498 PolarHBondContact NH2-O 2.75Å; R490-A499 WeakPolarHBondContact O-CA 3.47Å; R490-E500 HydrophobicContact CB-CB 4.41Å; R490-E500 WeakPolarHBondContact CB-OE2 3.45Å; R490-E500 IonicContact CZ-OE1 3.59Å; R490-E500 IonicContact CZ-OE2 3.58Å; R490-E500 PolarHBondContact N-O 2.98Å; R490-E500 VanDerWaalsContact NE-CD 3.33Å; R490-E500 IonicContact NE-OE1 2.83Å; R490-E500 IonicContact NE-OE2 3.66Å; R490-E500 PolarHBondContact NE-OE2 2.83Å; R490-E500 IonicContact NH2-OE1 2.8Å; R490-E500 PolarHBondContact NH2-OE1 3.39Å; R490-E500 IonicContact NH2-OE2 2.73Å; R490-E500 PolarHBondContact NH2-OE2 2.64Å; R490-E500 PolarHBondContact O-N 2.89Å; R490-D512 IonicContact CZ-OD1 3.85Å; R490-D512 IonicContact CZ-OD2 3.77Å; R490-D512 IonicContact NE-OD1 2.69Å; R490-D512 IonicContact NE-OD2 3.64Å; R490-D512 IonicContact NH1-OD1 2.74Å; R490-D512 PolarHBondContact NH1-OD1 2.95Å; R490-D512 IonicContact NH1-OD2 3.95Å; R490-D512 PolarHBondContact NH1-OD2 3.18Å; R490-D512 IonicContact NH2-OD1 2.99Å; R490-D512 PolarHBondContact NH2-OD1 3.15Å; R490-D512 IonicContact NH2-OD2 2.72Å
491	P	74.2	Confident	82.1	Confident	61 Å²	61	51.3 Å²	51.3	40%	0.396	30%	0.298	S	S	.	.			trans	-73.8	150.6	174.1	31.5	-33.2	0	0	0	109.9	A493	P491-A493 PolarHBondContact O-N 2.79Å
492	K	76.3	Confident	81.8	Confident	141 Å²	141	47.6 Å²	47.6	61%	0.613	28%	0.281	S	S	*	.			trans	-56.2	132.3	173.3	67.1	179	-174.5	175.4	0	111.4
493	A	70.6	Confident	81.4	Confident	95 Å²	95	48.7 Å²	48.7	79%	0.785	29%	0.29	S	S	*	.			trans	-81.9	-22.6	177.2	0	0	0	0	0	113.2	P491 D497	P491-A493 PolarHBondContact O-N 2.79Å; A493-D497 HydrophobicContact CB-CB 4.4Å; A493-D497 VanDerWaalsContact CB-OD2 3.31Å; A493-D497 WeakPolarHBondContact CB-OD2 3.03Å; A493-D497 PolarHBondContact N-OD2 3.46Å
494	G	72.3	Confident	81.2	Confident	35 Å²	35	47.2 Å²	47.2	36%	0.361	29%	0.289	S	S	.	.	S	Bend	trans	-170.7	-169.7	-178.8	0	0	0	0	0	113.2	C496 D497	G494-C496 PolarHBondContact O-N 3.04Å; G494-D497 PolarHBondContact O-N 3.28Å
495	D	79.9	Confident	81.1	Confident	94 Å²	94	50 Å²	50	50%	0.503	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27	-177.1	-68.2	-15.6	0	0	0	113.8	C521 N522	D495-C521 HydrophobicContact CB-CB 3.84Å; D495-N522 PolarHBondContact OD2-N 2.81Å
496	C	82.6	Confident	81.1	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.02	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-5.1	-174.6	-63.4	0	0	0	0	114.2	G494 F514 T515 C521 C528 G531 Q532	G494-C496 PolarHBondContact O-N 3.04Å; C496-F514 WeakPolarHBondContact O-CB 3.24Å; C496-T515 WeakPolarHBondContact CA-OG1 3.13Å; C496-T515 WeakPolarHBondContact O-CG2 3.33Å; C496-T515 PolarHBondContact O-N 3.39Å; C496-T515 PolarHBondContact O-OG1 3.36Å; C496-C521 WeakPolarHBondContact SG-CB 3.3Å; C496-C521 VanDerWaalsContact SG-SG 3.6Å; C496-C528 WeakPolarHBondContact CA-SG 3.46Å; C496-C528 HydrophobicContact CB-CB 3.63Å; C496-C528 WeakPolarHBondContact CB-SG 3.21Å; C496-C528 WeakPolarHBondContact SG-CA 3.49Å; C496-C528 WeakPolarHBondContact SG-CB 3.39Å; C496-C528 CovalentContact SG-SG 2.03Å; C496-C528 PolarHBondContact SG-SG 2.81Å; C496-G531 VanDerWaalsContact CB-O 3.26Å; C496-G531 WeakPolarHBondContact CB-O 3.39Å; C496-Q532 PolarHBondContact SG-O 3.49Å
497	D	80.8	Confident	81.1	Confident	14 Å²	14	49 Å²	49	8%	0.075	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-101.9	150.2	-177.7	-170	27.3	0	0	0	110.2	R490 A493 G494	R490-D497 IonicContact CZ-OD1 3.41Å; R490-D497 IonicContact CZ-OD2 3.76Å; R490-D497 VanDerWaalsContact NH1-CG 3.34Å; R490-D497 IonicContact NH1-OD1 3.27Å; R490-D497 PolarHBondContact NH1-OD1 3.5Å; R490-D497 IonicContact NH1-OD2 2.89Å; R490-D497 PolarHBondContact NH1-OD2 2.73Å; R490-D497 IonicContact NH2-OD1 2.93Å; R490-D497 PolarHBondContact NH2-OD1 2.8Å; R490-D497 IonicContact NH2-OD2 2.75Å; R490-D497 PolarHBondContact NH2-OD2 3.18Å; A493-D497 HydrophobicContact CB-CB 4.4Å; A493-D497 VanDerWaalsContact CB-OD2 3.31Å; A493-D497 WeakPolarHBondContact CB-OD2 3.03Å; A493-D497 PolarHBondContact N-OD2 3.46Å; G494-D497 PolarHBondContact O-N 3.28Å
498	L	81.6	Confident	80.7	Confident	13 Å²	13	50.1 Å²	50.1	7%	0.068	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-103.6	162.4	174.4	-57.5	167.5	0	0	0	109.5	R490 A513 T515 V664 N666 H672	R490-L498 PolarHBondContact NH2-O 2.75Å; L498-A513 WeakPolarHBondContact CB-O 3.42Å; L498-A513 HydrophobicContact CD1-CB 4.32Å; L498-A513 PolarHBondContact N-O 3.15Å; L498-A513 VanDerWaalsContact N-O 3.15Å; L498-T515 HydrophobicContact CD2-CG2 3.62Å; L498-T515 HydrophobicContact CG-CG2 4.03Å; L498-V664 HydrophobicContact CD2-CB 4.05Å; L498-V664 HydrophobicContact CD2-CG1 3.97Å; L498-V664 HydrophobicContact CD2-CG2 4.5Å; L498-N666 HydrophobicContact CD1-CB 3.8Å; L498-H672 HydrophobicContact CD1-CB 3.77Å
499	A	81.8	Confident	80.5	Confident	16 Å²	16	46.7 Å²	46.7	13%	0.132	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-92.6	141.3	169.7	0	0	0	0	0	108.9	R490 Y501 H672	R490-A499 WeakPolarHBondContact O-CA 3.47Å; A499-Y501 HydrophobicContact CB-CE1 4.48Å; A499-Y501 VanDerWaalsContact O-CE2 3.27Å; A499-Y501 WeakPolarHBondContact O-CE2 3.4Å; A499-H672 PolarHBondContact O-CE1 2.87Å; A499-H672 PolarHBondContact O-NE2 3.19Å
500	E	84.4	Confident	80.6	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.1	176.2	-70.9	66.9	-154.8	0	0	110	C489 R490 C509 A513	C489-E500 PolarHBondContact N-O 3.05Å; C489-E500 PolarHBondContact SG-O 2.81Å; C489-E500 VanDerWaalsContact SG-O 3.41Å; R490-E500 HydrophobicContact CB-CB 4.41Å; R490-E500 WeakPolarHBondContact CB-OE2 3.45Å; R490-E500 IonicContact CZ-OE1 3.59Å; R490-E500 IonicContact CZ-OE2 3.58Å; R490-E500 PolarHBondContact N-O 2.98Å; R490-E500 VanDerWaalsContact NE-CD 3.33Å; R490-E500 IonicContact NE-OE1 2.83Å; R490-E500 IonicContact NE-OE2 3.66Å; R490-E500 PolarHBondContact NE-OE2 2.83Å; R490-E500 IonicContact NH2-OE1 2.8Å; R490-E500 PolarHBondContact NH2-OE1 3.39Å; R490-E500 IonicContact NH2-OE2 2.73Å; R490-E500 PolarHBondContact NH2-OE2 2.64Å; R490-E500 PolarHBondContact O-N 2.89Å; E500-C509 WeakPolarHBondContact CB-SG 3.08Å; E500-A513 PolarHBondContact OE1-N 2.52Å
501	Y	85.6	Confident	80.2	Confident	54 Å²	54	52 Å²	52	21%	0.212	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.3	-177	-51.8	-77.8	0	0	0	109.1	G486 S487 I488 A499 T503 P510 H672 P675	G486-Y501 VanDerWaalsContact O-CD1 3.26Å; G486-Y501 WeakPolarHBondContact O-CD1 3.13Å; S487-Y501 CarbonylContact O-C 3.51Å; S487-Y501 VanDerWaalsContact O-CA 3.25Å; S487-Y501 WeakPolarHBondContact O-CA 3.38Å; I488-Y501 HydrophobicContact CD1-CE1 4.33Å; I488-Y501 HydrophobicContact CG1-CD1 3.73Å; I488-Y501 HydrophobicContact CG1-CE1 3.51Å; A499-Y501 HydrophobicContact CB-CE1 4.48Å; A499-Y501 VanDerWaalsContact O-CE2 3.27Å; A499-Y501 WeakPolarHBondContact O-CE2 3.4Å; Y501-T503 PolarHBondContact O-N 3.44Å; Y501-P510 WeakPolarHBondContact O-CD 3.36Å; Y501-P510 VanDerWaalsContact O-CG 3.28Å; Y501-P510 WeakPolarHBondContact O-CG 3.33Å; Y501-H672 AromaticContact CE2-NE2 3.79Å; Y501-P675 HydrophobicContact CD1-CG 4.04Å; Y501-P675 HydrophobicContact CE1-CG 3.44Å; Y501-P675 VanDerWaalsContact CE1-CG 3.44Å; Y501-P675 HydrophobicContact CE2-CG 4.26Å
502	C	86.1	Confident	80	Confident	2 Å²	2	53 Å²	53	1%	0.014	33%	0.327	C	S	.	.			trans	-57.1	139.8	172.6	-60.2	0	0	0	0	110	C476 K483 T485 G486 S487 G504	C476-C502 WeakPolarHBondContact CA-SG 3.26Å; C476-C502 HydrophobicContact CB-CB 3.76Å; C476-C502 WeakPolarHBondContact CB-SG 3.29Å; C476-C502 WeakPolarHBondContact SG-CA 3.14Å; C476-C502 WeakPolarHBondContact SG-CB 3.11Å; C476-C502 CovalentContact SG-SG 2.04Å; C476-C502 PolarHBondContact SG-SG 2.8Å; K483-C502 HydrophobicContact CB-CB 4.12Å; T485-C502 CarbonylContact C-O 3.21Å; T485-C502 VanDerWaalsContact CA-O 3.28Å; T485-C502 WeakPolarHBondContact CA-O 3.33Å; G486-C502 PolarHBondContact N-O 2.74Å; S487-C502 PolarHBondContact O-N 3.39Å; S487-C502 PolarHBondContact O-SG 2.03Å; S487-C502 VanDerWaalsContact O-SG 3.39Å; C502-G504 VanDerWaalsContact C-N 3.28Å
503	T	83.1	Confident	80.1	Confident	62 Å²	62	46.7 Å²	46.7	38%	0.38	30%	0.301	S	S	.	.			trans	-79.7	-15.4	176.7	56.9	0	0	0	0	112.3	T485 Y501 L505 P510	T485-T503 WeakPolarHBondContact CG2-O 3.04Å; T485-T503 PolarHBondContact OG1-O 3.47Å; Y501-T503 PolarHBondContact O-N 3.44Å; T503-L505 PolarHBondContact O-N 3.01Å; T503-L505 PolarHBondContact OG1-N 3.23Å; T503-P510 HydrophobicContact CG2-CG 4.07Å
504	G	84.8	Confident	80.6	Confident	21 Å²	21	44 Å²	44	22%	0.216	27%	0.272	C	S	.	.	S	Bend	trans	77.6	-0.9	-168.6	0	0	0	0	0	113.9	K483 C502	K483-G504 WeakPolarHBondContact O-CA 3.49Å; C502-G504 VanDerWaalsContact C-N 3.28Å
505	L	85.1	Confident	81.2	Confident	152 Å²	152	42.4 Å²	42.4	80%	0.796	26%	0.255	S	S	*	.	S	Bend	trans	-116	-10.1	-176.7	-59.5	175.1	0	0	0	113.3	T503	T503-L505 PolarHBondContact O-N 3.01Å; T503-L505 PolarHBondContact OG1-N 3.23Å
506	S	84	Confident	81.4	Confident	55 Å²	55	39.2 Å²	39.2	39%	0.385	24%	0.237	S	C	.	.			trans	-141.9	143.8	-177.5	179.9	0	0	0	0	111.1	C476 L482 A508	C476-S506 VanDerWaalsContact CB-O 3.27Å; C476-S506 WeakPolarHBondContact CB-O 3.5Å; L482-S506 VanDerWaalsContact CD2-C 3.42Å; S506-A508 VanDerWaalsContact C-N 3.31Å; S506-A508 PolarHBondContact OG-N 3.35Å
507	A	81.8	Confident	81.5	Confident	20 Å²	20	40 Å²	40	17%	0.165	24%	0.241	C	C	.	.	S	Bend	trans	-77.9	-20.6	175.4	0	0	0	0	0	112.4	C471 E473 G474 Q475 C476 C477 L482	C471-A507 HydrophobicContact CB-CB 3.47Å; C471-A507 VanDerWaalsContact CB-CB 3.47Å; E473-A507 WeakPolarHBondContact O-CB 3Å; G474-A507 CarbonylContact C-O 3.59Å; G474-A507 VanDerWaalsContact CA-O 3.25Å; G474-A507 WeakPolarHBondContact CA-O 3.16Å; Q475-A507 PolarHBondContact N-O 2.85Å; C476-A507 WeakPolarHBondContact CA-O 3.24Å; C476-A507 VanDerWaalsContact CB-O 3.3Å; C476-A507 WeakPolarHBondContact CB-O 3.42Å; C476-A507 PolarHBondContact N-O 2.95Å; C477-A507 HydrophobicContact CB-CB 4.37Å; L482-A507 HydrophobicContact CD2-CB 3.76Å; L482-A507 VanDerWaalsContact CD2-N 3.29Å
508	A	76.4	Confident	81.8	Confident	54 Å²	54	40.1 Å²	40.1	45%	0.446	25%	0.245	S	C	.	.	S	Bend	trans	-77	141.3	172.1	0	0	0	0	0	110.5	S506	S506-A508 VanDerWaalsContact C-N 3.31Å; S506-A508 PolarHBondContact OG-N 3.35Å
509	C	78.2	Confident	82.1	Confident	26 Å²	26	44.4 Å²	44.4	18%	0.176	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-67.1	141.1	166.4	-164	0	0	0	0	108.7	Q475 C489 E500	Q475-C509 HydrophobicContact CB-CB 4.1Å; C489-C509 HydrophobicContact CB-CB 3.64Å; C489-C509 WeakPolarHBondContact CB-SG 3.34Å; C489-C509 VanDerWaalsContact SG-CA 3.51Å; C489-C509 WeakPolarHBondContact SG-CB 3.37Å; C489-C509 CovalentContact SG-SG 2.04Å; C489-C509 PolarHBondContact SG-SG 2.8Å; E500-C509 WeakPolarHBondContact CB-SG 3.08Å
510	P	81.9	Confident	82.4	Confident	47 Å²	47	47.6 Å²	47.6	31%	0.305	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-53.1	161.9	172.7	-28.2	37.4	0	0	0	112.9	Y501 T503 D512	Y501-P510 WeakPolarHBondContact O-CD 3.36Å; Y501-P510 VanDerWaalsContact O-CG 3.28Å; Y501-P510 WeakPolarHBondContact O-CG 3.33Å; T503-P510 HydrophobicContact CG2-CG 4.07Å; P510-D512 PolarHBondContact O-N 3.08Å
511	T	73.6	Confident	82.7	Confident	125 Å²	125	47.6 Å²	47.6	77%	0.767	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-55.6	137.4	176.4	47.8	0	0	0	0	111	A513	T511-A513 PolarHBondContact O-N 3.46Å
512	D	69.9	Low	82.8	Confident	83 Å²	83	47.2 Å²	47.2	44%	0.444	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-54.4	118.3	179.1	-171	-29.3	0	0	0	110.4	R490 P510	R490-D512 IonicContact CZ-OD1 3.85Å; R490-D512 IonicContact CZ-OD2 3.77Å; R490-D512 IonicContact NE-OD1 2.69Å; R490-D512 IonicContact NE-OD2 3.64Å; R490-D512 IonicContact NH1-OD1 2.74Å; R490-D512 PolarHBondContact NH1-OD1 2.95Å; R490-D512 IonicContact NH1-OD2 3.95Å; R490-D512 PolarHBondContact NH1-OD2 3.18Å; R490-D512 IonicContact NH2-OD1 2.99Å; R490-D512 PolarHBondContact NH2-OD1 3.15Å; R490-D512 IonicContact NH2-OD2 2.72Å; P510-D512 PolarHBondContact O-N 3.08Å
513	A	76.9	Confident	82.8	Confident	8 Å²	8	58.4 Å²	58.4	7%	0.066	32%	0.324	C	S	.	.			trans	-111	135.6	178.1	0	0	0	0	0	109.7	L498 E500 T511	L498-A513 WeakPolarHBondContact CB-O 3.42Å; L498-A513 HydrophobicContact CD1-CB 4.32Å; L498-A513 PolarHBondContact N-O 3.15Å; L498-A513 VanDerWaalsContact N-O 3.15Å; E500-A513 PolarHBondContact OE1-N 2.52Å; T511-A513 PolarHBondContact O-N 3.46Å
514	F	81.6	Confident	83	Confident	39 Å²	39	57.1 Å²	57.1	17%	0.171	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-123.8	162.3	175.7	51.8	-88.8	0	0	0	112.1	C496 N530 N666 H667	C496-F514 WeakPolarHBondContact O-CB 3.24Å; F514-N530 VanDerWaalsContact CD2-C 3.49Å; F514-N530 HydrophobicContact CE2-CB 4.27Å; F514-N530 HydrophobicContact CZ-CB 4.45Å; F514-N666 CarbonylContact O-C 3.38Å; F514-N666 VanDerWaalsContact O-CA 3.26Å; F514-N666 WeakPolarHBondContact O-CA 3.36Å; F514-N666 WeakPolarHBondContact O-CB 3.38Å; F514-H667 AromaticContact CD1-ND1 3.76Å; F514-H667 HydrophobicContact CD2-CB 3.49Å; F514-H667 VanDerWaalsContact CD2-CB 3.49Å; F514-H667 AromaticContact CD2-CG 3.89Å; F514-H667 HydrophobicContact CE1-CB 4.23Å; F514-H667 AromaticContact CE1-CD2 3.79Å; F514-H667 AromaticContact CE1-CE1 3.83Å; F514-H667 AromaticContact CE1-CG 3.66Å; F514-H667 AromaticContact CE1-ND1 3.7Å; F514-H667 AromaticContact CE1-NE2 3.9Å; F514-H667 HydrophobicContact CE2-CB 3.05Å; F514-H667 AromaticContact CE2-CG 3.46Å; F514-H667 VanDerWaalsContact CE2-CG 3.46Å; F514-H667 HydrophobicContact CG-CB 4.25Å; F514-H667 AromaticContact CG-ND1 3.95Å; F514-H667 HydrophobicContact CZ-CB 3.48Å; F514-H667 VanDerWaalsContact CZ-CB 3.48Å; F514-H667 AromaticContact CZ-CD2 3.49Å; F514-H667 VanDerWaalsContact CZ-CD2 3.49Å; F514-H667 WeakPolarHBondContact CZ-CD2 3.38Å; F514-H667 AromaticContact CZ-CG 3.33Å; F514-H667 AromaticContact CZ-ND1 3.86Å; F514-H667 PolarHBondContact N-ND1 2.98Å; F514-H667 PolarHBondContact O-N 3.12Å
515	T	84.8	Confident	83.1	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-61.5	149.9	179.8	63.6	0	0	0	0	111.2	C496 L498 V664	C496-T515 WeakPolarHBondContact CA-OG1 3.13Å; C496-T515 WeakPolarHBondContact O-CG2 3.33Å; C496-T515 PolarHBondContact O-N 3.39Å; C496-T515 PolarHBondContact O-OG1 3.36Å; L498-T515 HydrophobicContact CD2-CG2 3.62Å; L498-T515 HydrophobicContact CG-CG2 4.03Å; T515-V664 HydrophobicContact CG2-CG1 4.17Å
516	Q	85.5	Confident	83.4	Confident	28 Å²	28	56.6 Å²	56.6	13%	0.131	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-54.3	147.5	172	67.3	172.8	33.3	0	0	112	S656 C665	Q516-S656 PolarHBondContact NE2-OG 2.81Å; Q516-C665 HydrophobicContact CG-CB 4.34Å; Q516-C665 PolarHBondContact N-O 2.95Å; Q516-C665 VanDerWaalsContact OE1-CB 3.25Å; Q516-C665 PolarHBondContact OE1-SG 3.42Å
517	N	84.4	Confident	83.8	Confident	19 Å²	19	54.6 Å²	54.6	10%	0.102	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	145.8	176.9	-69.1	-19.7	0	0	0	111.3	C528 Y529 N530 A649 Y650	N517-C528 CarbonylContact C-O 3.48Å; N517-C528 VanDerWaalsContact CA-O 3.3Å; N517-C528 WeakPolarHBondContact CA-O 3.36Å; N517-Y529 VanDerWaalsContact OD1-CA 3.3Å; N517-Y529 WeakPolarHBondContact OD1-CA 3.32Å; N517-N530 PolarHBondContact ND2-OD1 3.01Å; N517-N530 PolarHBondContact OD1-N 3.49Å; N517-A649 WeakPolarHBondContact CB-O 3.25Å; N517-A649 PolarHBondContact ND2-O 2.03Å; N517-Y650 HydrophobicContact CB-CD1 3.74Å; N517-Y650 HydrophobicContact CB-CE1 3.96Å; N517-Y650 HydrophobicContact CB-CG 4.07Å
518	G	86.1	Confident	84	Confident	16 Å²	16	53.7 Å²	53.7	17%	0.165	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-5	176.8	0	0	0	0	0	115.5	Y527 C528	G518-Y527 VanDerWaalsContact O-CD1 3.28Å; G518-Y527 WeakPolarHBondContact O-CD1 3.38Å; G518-C528 PolarHBondContact N-O 3.1Å
519	R	87.2	Confident	84.4	Confident	103 Å²	103	53.4 Å²	53.4	39%	0.389	27%	0.269	S	S	.	.			trans	-65.1	132.1	172.7	-165.2	174.5	-169.3	-176.3	5.9	110.1	C521 Y527 C528	R519-C521 PolarHBondContact O-N 3.4Å; R519-Y527 CarbonylContact O-C 3.54Å; R519-Y527 WeakPolarHBondContact O-CA 3.39Å; R519-C528 HydrophobicContact CB-CB 4.24Å; R519-C528 PolarHBondContact O-N 3.42Å; R519-C528 PolarHBondContact O-SG 2.91Å
520	P	89.9	Confident	84.4	Confident	83 Å²	83	56.2 Å²	56.2	54%	0.539	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	135.8	177	-23.1	33.1	0	0	0	112	Y527	P520-Y527 HydrophobicContact CG-CD1 4.47Å; P520-Y527 HydrophobicContact CG-CE1 4.26Å
521	C	89.9	Confident	84	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	169.1	179.7	61.9	0	0	0	0	111.7	D495 C496 R519 R523 G524 R525 G526 Y527 C533	D495-C521 HydrophobicContact CB-CB 3.84Å; C496-C521 WeakPolarHBondContact SG-CB 3.3Å; C496-C521 VanDerWaalsContact SG-SG 3.6Å; R519-C521 PolarHBondContact O-N 3.4Å; C521-R523 VanDerWaalsContact C-N 3.34Å; C521-R523 PolarHBondContact O-N 3.33Å; C521-G524 PolarHBondContact O-N 3.07Å; C521-G524 VanDerWaalsContact O-N 3.08Å; C521-R525 PolarHBondContact O-N 3.31Å; C521-R525 VanDerWaalsContact O-N 3.12Å; C521-G526 PolarHBondContact N-O 2.8Å; C521-G526 PolarHBondContact O-N 2.83Å; C521-Y527 PolarHBondContact SG-N 3.47Å; C521-Y527 VanDerWaalsContact SG-N 3.4Å; C521-C533 HydrophobicContact CB-CB 3.8Å; C521-C533 WeakPolarHBondContact CB-SG 3.47Å; C521-C533 VanDerWaalsContact SG-CA 3.57Å; C521-C533 WeakPolarHBondContact SG-CB 3.05Å; C521-C533 CovalentContact SG-SG 2.03Å; C521-C533 PolarHBondContact SG-SG 2.04Å
522	N	86.9	Confident	84.2	Confident	47 Å²	47	54.4 Å²	54.4	25%	0.251	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	50	-179	-171.3	7.3	0	0	0	111.8	D495 G524 R525	D495-N522 PolarHBondContact OD2-N 2.81Å; N522-G524 VanDerWaalsContact C-N 3.28Å; N522-G524 PolarHBondContact O-N 2.79Å; N522-R525 HydrophobicContact CB-CB 4.48Å; N522-R525 VanDerWaalsContact O-CB 3.29Å; N522-R525 WeakPolarHBondContact O-CB 3.35Å; N522-R525 WeakPolarHBondContact O-CG 3.48Å; N522-R525 PolarHBondContact O-N 2.85Å; N522-R525 VanDerWaalsContact O-N 3.15Å; N522-R525 PolarHBondContact O-NE 2.98Å; N522-R525 PolarHBondContact OD1-NE 3.44Å; N522-R525 PolarHBondContact OD1-NH2 3.2Å
523	R	87.6	Confident	84.9	Confident	236 Å²	236	52 Å²	52	89%	0.891	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	39.3	-175.8	-52.6	178.5	-175.9	173.2	0.5	113	C521 R525	C521-R523 VanDerWaalsContact C-N 3.34Å; C521-R523 PolarHBondContact O-N 3.33Å; R523-R525 VanDerWaalsContact C-N 3.31Å; R523-R525 PolarHBondContact O-N 2.95Å
524	G	86.1	Confident	85.4	Confident	35 Å²	35	52.5 Å²	52.5	36%	0.361	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	14.2	180	0	0	0	0	0	114.4	C521 N522 R629	C521-G524 PolarHBondContact O-N 3.07Å; C521-G524 VanDerWaalsContact O-N 3.08Å; N522-G524 VanDerWaalsContact C-N 3.28Å; N522-G524 PolarHBondContact O-N 2.79Å; G524-R629 PolarHBondContact O-NH1 3.1Å
525	R	87.9	Confident	85.8	Confident	159 Å²	159	51.8 Å²	51.8	60%	0.6	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.5	175.4	-63.5	-172.8	-65.2	170.5	-0.3	113.4	C521 N522 R523 R629	C521-R525 PolarHBondContact O-N 3.31Å; C521-R525 VanDerWaalsContact O-N 3.12Å; N522-R525 HydrophobicContact CB-CB 4.48Å; N522-R525 VanDerWaalsContact O-CB 3.29Å; N522-R525 WeakPolarHBondContact O-CB 3.35Å; N522-R525 WeakPolarHBondContact O-CG 3.48Å; N522-R525 PolarHBondContact O-N 2.85Å; N522-R525 VanDerWaalsContact O-N 3.15Å; N522-R525 PolarHBondContact O-NE 2.98Å; N522-R525 PolarHBondContact OD1-NE 3.44Å; N522-R525 PolarHBondContact OD1-NH2 3.2Å; R523-R525 VanDerWaalsContact C-N 3.31Å; R523-R525 PolarHBondContact O-N 2.95Å; R525-R629 WeakPolarHBondContact O-CD 3.26Å
526	G	91.6	Very high	86.2	Confident	3 Å²	3	54.8 Å²	54.8	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	-179.9	176	0	0	0	0	0	112.4	C521	C521-G526 PolarHBondContact N-O 2.8Å; C521-G526 PolarHBondContact O-N 2.83Å
527	Y	91.2	Very high	86.5	Confident	14 Å²	14	56.3 Å²	56.3	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144	172	-65.2	-75.7	0	0	0	109.4	G518 R519 P520 C521 P534 R629 N633 V635 I644	G518-Y527 VanDerWaalsContact O-CD1 3.28Å; G518-Y527 WeakPolarHBondContact O-CD1 3.38Å; R519-Y527 CarbonylContact O-C 3.54Å; R519-Y527 WeakPolarHBondContact O-CA 3.39Å; P520-Y527 HydrophobicContact CG-CD1 4.47Å; P520-Y527 HydrophobicContact CG-CE1 4.26Å; C521-Y527 PolarHBondContact SG-N 3.47Å; C521-Y527 VanDerWaalsContact SG-N 3.4Å; Y527-P534 WeakPolarHBondContact O-CD 3.2Å; Y527-R629 HydrophobicContact CD2-CB 4.12Å; Y527-R629 HydrophobicContact CD2-CG 4.12Å; Y527-R629 HydrophobicContact CE2-CB 4.39Å; Y527-R629 HydrophobicContact CE2-CG 3.88Å; Y527-N633 VanDerWaalsContact OH-CA 3.3Å; Y527-N633 WeakPolarHBondContact OH-CA 2.83Å; Y527-N633 PolarHBondContact OH-N 3.43Å; Y527-N633 PolarHBondContact OH-OD1 3.35Å; Y527-V635 HydrophobicContact CD2-CG1 3.62Å; Y527-V635 HydrophobicContact CE2-CG1 4.47Å; Y527-V635 HydrophobicContact CG-CG1 4.08Å; Y527-I644 HydrophobicContact CD1-CD1 3.72Å; Y527-I644 HydrophobicContact CD2-CD1 3.82Å; Y527-I644 HydrophobicContact CE1-CD1 3.72Å; Y527-I644 HydrophobicContact CE2-CD1 3.84Å; Y527-I644 HydrophobicContact CG-CD1 3.75Å
528	C	87	Confident	86.6	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.			trans	-67.4	135.9	178.7	-63.5	0	0	0	0	111	C496 N517 G518 R519 Q532	C496-C528 WeakPolarHBondContact CA-SG 3.46Å; C496-C528 HydrophobicContact CB-CB 3.63Å; C496-C528 WeakPolarHBondContact CB-SG 3.21Å; C496-C528 WeakPolarHBondContact SG-CA 3.49Å; C496-C528 WeakPolarHBondContact SG-CB 3.39Å; C496-C528 CovalentContact SG-SG 2.03Å; C496-C528 PolarHBondContact SG-SG 2.81Å; N517-C528 CarbonylContact C-O 3.48Å; N517-C528 VanDerWaalsContact CA-O 3.3Å; N517-C528 WeakPolarHBondContact CA-O 3.36Å; G518-C528 PolarHBondContact N-O 3.1Å; R519-C528 HydrophobicContact CB-CB 4.24Å; R519-C528 PolarHBondContact O-N 3.42Å; R519-C528 PolarHBondContact O-SG 2.91Å; C528-Q532 CarbonylContact C-O 3.55Å; C528-Q532 WeakPolarHBondContact CA-O 3.36Å
529	Y	84.6	Confident	86.7	Confident	48 Å²	48	59 Å²	59	19%	0.188	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-144.1	117.9	173	-174.2	-104.5	0	0	0	109.2	N517 G531 Q532 T626 Y637 Y650	N517-Y529 VanDerWaalsContact OD1-CA 3.3Å; N517-Y529 WeakPolarHBondContact OD1-CA 3.32Å; Y529-G531 PolarHBondContact O-N 2.74Å; Y529-Q532 PolarHBondContact N-O 2.84Å; Y529-Q532 PolarHBondContact O-N 3.07Å; Y529-T626 HydrophobicContact CD1-CG2 4.29Å; Y529-T626 VanDerWaalsContact CD1-O 3.28Å; Y529-T626 WeakPolarHBondContact CD1-O 3.43Å; Y529-T626 HydrophobicContact CE1-CG2 3.63Å; Y529-T626 HydrophobicContact CE2-CG2 3.94Å; Y529-T626 VanDerWaalsContact CZ-CG2 3.42Å; Y529-T626 WeakPolarHBondContact OH-CG2 3.07Å; Y529-Y637 HydrophobicContact CE2-CE2 4.5Å; Y529-Y650 HydrophobicContact CD2-CE2 4.01Å; Y529-Y650 AromaticContact CD2-CZ 3.67Å; Y529-Y650 WeakPolarHBondContact CD2-OH 3.48Å; Y529-Y650 HydrophobicContact CE2-CE2 4.13Å
530	N	76.7	Confident	86.9	Confident	86 Å²	86	54 Å²	54	46%	0.46	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	45.7	-177.4	-66.5	-8.3	0	0	0	113.3	F514 N517 Q532	F514-N530 VanDerWaalsContact CD2-C 3.49Å; F514-N530 HydrophobicContact CE2-CB 4.27Å; F514-N530 HydrophobicContact CZ-CB 4.45Å; N517-N530 PolarHBondContact ND2-OD1 3.01Å; N517-N530 PolarHBondContact OD1-N 3.49Å; N530-Q532 PolarHBondContact O-N 3.26Å
531	G	73.9	Confident	86.7	Confident	11 Å²	11	54.2 Å²	54.2	11%	0.113	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-1.5	178.2	0	0	0	0	0	115.9	C496 Y529	C496-G531 VanDerWaalsContact CB-O 3.26Å; C496-G531 WeakPolarHBondContact CB-O 3.39Å; Y529-G531 PolarHBondContact O-N 2.74Å
532	Q	78.4	Confident	86.1	Confident	123 Å²	123	60.5 Å²	60.5	58%	0.575	28%	0.281	S	S	*	.	B	Isolated β-bridge	trans	-105.6	157.2	176.1	-62.3	-63.7	-27.8	0	0	110.9	C496 C528 Y529 N530 P534	C496-Q532 PolarHBondContact SG-O 3.49Å; C528-Q532 CarbonylContact C-O 3.55Å; C528-Q532 WeakPolarHBondContact CA-O 3.36Å; Y529-Q532 PolarHBondContact N-O 2.84Å; Y529-Q532 PolarHBondContact O-N 3.07Å; N530-Q532 PolarHBondContact O-N 3.26Å; Q532-P534 WeakPolarHBondContact O-CD 2.99Å
533	C	84.3	Confident	85.8	Confident	33 Å²	33	58.4 Å²	58.4	22%	0.223	27%	0.27	C	S	.	.			trans	-105.4	76.3	168.9	-170.1	0	0	0	0	109.2	C521 S535	C521-C533 HydrophobicContact CB-CB 3.8Å; C521-C533 WeakPolarHBondContact CB-SG 3.47Å; C521-C533 VanDerWaalsContact SG-CA 3.57Å; C521-C533 WeakPolarHBondContact SG-CB 3.05Å; C521-C533 CovalentContact SG-SG 2.03Å; C521-C533 PolarHBondContact SG-SG 2.04Å; C533-S535 PolarHBondContact O-N 2.89Å
534	P	87.5	Confident	85.6	Confident	18 Å²	18	47.2 Å²	47.2	12%	0.117	23%	0.228	C	C	.	.			trans	-62.3	133.2	-173.7	26.5	-37.2	0	0	0	112	Y527 Q532 P625	Y527-P534 WeakPolarHBondContact O-CD 3.2Å; Q532-P534 WeakPolarHBondContact O-CD 2.99Å; P534-P625 HydrophobicContact CB-CB 4.13Å
535	S	90.8	Very high	85	Confident	24 Å²	24	45.6 Å²	45.6	17%	0.168	21%	0.211	C	C	.	.			trans	-141.7	146.5	176.7	95.7	0	0	0	0	110.8	C533 Q537 D538 H539	C533-S535 PolarHBondContact O-N 2.89Å; S535-Q537 PolarHBondContact O-N 2.49Å; S535-Q537 PolarHBondContact OG-N 3.15Å; S535-D538 WeakPolarHBondContact CB-OD2 2.99Å; S535-D538 PolarHBondContact O-N 3.32Å; S535-D538 WeakPolarHBondContact OG-CB 3.35Å; S535-D538 PolarHBondContact OG-N 3.27Å; S535-D538 PolarHBondContact OG-OD2 2.91Å; S535-H539 WeakPolarHBondContact O-CB 3.31Å; S535-H539 PolarHBondContact O-N 2.81Å; S535-H539 VanDerWaalsContact O-N 3.07Å
536	R	93.3	Very high	84.4	Confident	63 Å²	63	42.1 Å²	42.1	24%	0.238	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-38	175.1	-70.4	-174	-79.1	167.6	-1.9	111.6	C540 V550 L581 V624 T628	R536-C540 PolarHBondContact O-N 3.22Å; R536-V550 HydrophobicContact CB-CG1 4.29Å; R536-V550 HydrophobicContact CB-CG2 3.62Å; R536-L581 HydrophobicContact CB-CD1 4Å; R536-L581 HydrophobicContact CG-CD1 4.05Å; R536-V624 HydrophobicContact CG-CG1 3.93Å; R536-V624 HydrophobicContact CG-CG2 4.16Å; R536-T628 HydrophobicContact CG-CG2 3.89Å
537	Q	92.2	Very high	84.1	Confident	59 Å²	59	47.7 Å²	47.7	28%	0.276	24%	0.238	S	C	.	.	H	α-helix	trans	-68.3	-49.1	-177	-179	61.7	45.3	0	0	111.8	S535 H539 C540 K541 A548 V550	S535-Q537 PolarHBondContact O-N 2.49Å; S535-Q537 PolarHBondContact OG-N 3.15Å; Q537-H539 VanDerWaalsContact C-N 3.26Å; Q537-H539 PolarHBondContact O-N 3.23Å; Q537-C540 PolarHBondContact O-N 2.8Å; Q537-K541 VanDerWaalsContact NE2-CE 3.3Å; Q537-K541 WeakPolarHBondContact O-CG 3.46Å; Q537-K541 PolarHBondContact O-N 3.36Å; Q537-A548 PolarHBondContact NE2-O 3.04Å; Q537-V550 HydrophobicContact CB-CG2 4.04Å
538	D	86	Confident	84	Confident	76 Å²	76	47 Å²	47	41%	0.406	24%	0.236	S	C	.	.	H	α-helix	trans	-68.7	-32.2	-179.1	-58.4	-42.4	0	0	0	110.6	S535 K541 R542	S535-D538 WeakPolarHBondContact CB-OD2 2.99Å; S535-D538 PolarHBondContact O-N 3.32Å; S535-D538 WeakPolarHBondContact OG-CB 3.35Å; S535-D538 PolarHBondContact OG-N 3.27Å; S535-D538 PolarHBondContact OG-OD2 2.91Å; D538-K541 PolarHBondContact O-N 2.96Å; D538-R542 WeakPolarHBondContact O-CB 3.26Å; D538-R542 PolarHBondContact O-N 2.85Å
539	H	87.9	Confident	84.4	Confident	15 Å²	15	52.9 Å²	52.9	7%	0.069	26%	0.263	C	S	.	.	H	α-helix	trans	-69.4	-39.6	173.9	-155.9	81.7	0	0	0	112.7	S535 Q537 K541 R542 L543 L581 L621 P625	S535-H539 WeakPolarHBondContact O-CB 3.31Å; S535-H539 PolarHBondContact O-N 2.81Å; S535-H539 VanDerWaalsContact O-N 3.07Å; Q537-H539 VanDerWaalsContact C-N 3.26Å; Q537-H539 PolarHBondContact O-N 3.23Å; H539-K541 VanDerWaalsContact C-N 3.31Å; H539-K541 PolarHBondContact O-N 2.77Å; H539-R542 PolarHBondContact O-N 2.89Å; H539-L543 WeakPolarHBondContact O-CB 3.28Å; H539-L543 WeakPolarHBondContact O-CG 3.47Å; H539-L543 PolarHBondContact O-N 2.88Å; H539-L581 HydrophobicContact CB-CD2 4.12Å; H539-L581 VanDerWaalsContact CD2-CD2 3.46Å; H539-L581 WeakPolarHBondContact CD2-CD2 3.29Å; H539-L621 PolarHBondContact NE2-O 3.07Å; H539-P625 HydrophobicContact CB-CG 3.94Å; H539-P625 VanDerWaalsContact CG-CG 3.48Å; H539-P625 WeakPolarHBondContact ND1-CG 3.42Å
540	C	91.3	Very high	84.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-43.9	170	-80.1	0	0	0	0	111.3	R536 Q537 R542 L543 W544 A548 C583	R536-C540 PolarHBondContact O-N 3.22Å; Q537-C540 PolarHBondContact O-N 2.8Å; C540-R542 PolarHBondContact O-N 2.88Å; C540-L543 PolarHBondContact O-N 3.5Å; C540-W544 WeakPolarHBondContact O-CB 3.23Å; C540-W544 PolarHBondContact O-N 2.8Å; C540-A548 HydrophobicContact CB-CB 4.35Å; C540-A548 WeakPolarHBondContact O-CB 3.08Å; C540-C583 WeakPolarHBondContact CA-SG 3.02Å; C540-C583 HydrophobicContact CB-CB 3.82Å; C540-C583 WeakPolarHBondContact CB-SG 3.49Å; C540-C583 WeakPolarHBondContact SG-CB 3.37Å; C540-C583 CovalentContact SG-SG 2.04Å; C540-C583 PolarHBondContact SG-SG 2.93Å
541	K	85.8	Confident	85.7	Confident	87 Å²	87	48.4 Å²	48.4	38%	0.378	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-38.7	177.3	-70.5	-179.6	175.6	-173.9	0	113.3	Q537 D538 H539 G545 P546 A548	Q537-K541 VanDerWaalsContact NE2-CE 3.3Å; Q537-K541 WeakPolarHBondContact O-CG 3.46Å; Q537-K541 PolarHBondContact O-N 3.36Å; D538-K541 PolarHBondContact O-N 2.96Å; H539-K541 VanDerWaalsContact C-N 3.31Å; H539-K541 PolarHBondContact O-N 2.77Å; K541-G545 VanDerWaalsContact CA-O 3.24Å; K541-G545 WeakPolarHBondContact CA-O 3.39Å; K541-G545 CarbonylContact O-C 3.6Å; K541-G545 WeakPolarHBondContact O-CA 3.36Å; K541-G545 PolarHBondContact O-N 2.95Å; K541-P546 WeakPolarHBondContact CE-O 3.34Å; K541-A548 WeakPolarHBondContact CG-O 3.36Å
542	R	77.7	Confident	86.6	Confident	134 Å²	134	51 Å²	51	51%	0.506	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-40.8	176	-177	179.9	-70.8	157.1	-4.7	111.9	D538 H539 C540	D538-R542 WeakPolarHBondContact O-CB 3.26Å; D538-R542 PolarHBondContact O-N 2.85Å; H539-R542 PolarHBondContact O-N 2.89Å; C540-R542 PolarHBondContact O-N 2.88Å
543	L	79.4	Confident	87.1	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-77.4	-39.7	-177.9	-71.8	173.3	0	0	0	112.9	H539 C540 L581 P590 I591 T592 A609 L621	H539-L543 WeakPolarHBondContact O-CB 3.28Å; H539-L543 WeakPolarHBondContact O-CG 3.47Å; H539-L543 PolarHBondContact O-N 2.88Å; C540-L543 PolarHBondContact O-N 3.5Å; L543-L581 HydrophobicContact CD1-CD2 4.13Å; L543-P590 CarbonylContact O-C 3.54Å; L543-P590 WeakPolarHBondContact O-CA 3.42Å; L543-P590 WeakPolarHBondContact O-CB 3.01Å; L543-I591 HydrophobicContact CD2-CD1 4.02Å; L543-I591 HydrophobicContact CD2-CG1 3.91Å; L543-I591 PolarHBondContact O-N 3.41Å; L543-T592 HydrophobicContact CD2-CG2 4.28Å; L543-A609 HydrophobicContact CD1-CB 4.04Å; L543-A609 HydrophobicContact CD2-CB 4.4Å; L543-L621 WeakPolarHBondContact CD1-O 3.5Å; L543-L621 HydrophobicContact CD2-CD2 3.77Å
544	W	84	Confident	87.4	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-121.7	8.4	-165.9	-61.4	94.5	0	0	0	113.3	C540 A548 C583 G586 W587 P590 K595 N607 A609	C540-W544 WeakPolarHBondContact O-CB 3.23Å; C540-W544 PolarHBondContact O-N 2.8Å; W544-A548 HydrophobicContact CB-CB 3.5Å; W544-A548 VanDerWaalsContact CB-CB 3.5Å; W544-A548 HydrophobicContact CG-CB 4.49Å; W544-C583 VanDerWaalsContact CD1-SG 3.55Å; W544-C583 HydrophobicContact CG-CB 4.35Å; W544-G586 CarbonylContact O-C 3.45Å; W544-G586 VanDerWaalsContact O-CA 3.24Å; W544-G586 WeakPolarHBondContact O-CA 3.19Å; W544-W587 WeakPolarHBondContact O-CB 3.5Å; W544-W587 PolarHBondContact O-N 2.95Å; W544-P590 HydrophobicContact CD2-CB 3.86Å; W544-P590 HydrophobicContact CE3-CB 4.04Å; W544-P590 HydrophobicContact CG-CB 4.5Å; W544-P590 HydrophobicContact CH2-CB 4.1Å; W544-P590 HydrophobicContact CH2-CG 3.83Å; W544-P590 HydrophobicContact CZ2-CB 3.9Å; W544-P590 HydrophobicContact CZ2-CG 3.92Å; W544-P590 HydrophobicContact CZ3-CB 4.18Å; W544-P590 VanDerWaalsContact CZ3-CD 3.47Å; W544-P590 HydrophobicContact CZ3-CG 4.14Å; W544-K595 HydrophobicContact CH2-CB 3.55Å; W544-K595 HydrophobicContact CH2-CD 3.97Å; W544-K595 HydrophobicContact CH2-CG 4.42Å; W544-K595 HydrophobicContact CZ2-CB 4.41Å; W544-K595 HydrophobicContact CZ3-CB 4.34Å; W544-K595 HydrophobicContact CZ3-CD 4.07Å; W544-N607 HydrophobicContact CH2-CB 3.65Å; W544-N607 HydrophobicContact CZ2-CB 3.67Å; W544-N607 HydrophobicContact CZ3-CB 4.19Å; W544-A609 HydrophobicContact CZ2-CB 4.07Å
545	G	74.4	Confident	87.5	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.01	26%	0.26	C	S	.	.			trans	87.5	169.9	-178.6	0	0	0	0	0	114.6	K541 D547 A548 W587	K541-G545 VanDerWaalsContact CA-O 3.24Å; K541-G545 WeakPolarHBondContact CA-O 3.39Å; K541-G545 CarbonylContact O-C 3.6Å; K541-G545 WeakPolarHBondContact O-CA 3.36Å; K541-G545 PolarHBondContact O-N 2.95Å; G545-D547 VanDerWaalsContact C-N 3.26Å; G545-D547 PolarHBondContact O-N 3.36Å; G545-D547 VanDerWaalsContact O-N 3.13Å; G545-A548 VanDerWaalsContact O-CB 3.27Å; G545-A548 WeakPolarHBondContact O-CB 3.45Å; G545-A548 PolarHBondContact O-N 3.44Å; G545-W587 VanDerWaalsContact CA-CE2 3.47Å
546	P	74.8	Confident	87.5	Confident	87 Å²	87	49.3 Å²	49.3	57%	0.565	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.1	-165.9	24.1	-34.9	0	0	0	115.1	K541 A548	K541-P546 WeakPolarHBondContact CE-O 3.34Å; P546-A548 VanDerWaalsContact C-N 3.29Å
547	D	84	Confident	87.2	Confident	120 Å²	120	48.7 Å²	48.7	64%	0.642	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	0.4	-179.6	-58.2	-41.6	0	0	0	113.5	G545	G545-D547 VanDerWaalsContact C-N 3.26Å; G545-D547 PolarHBondContact O-N 3.36Å; G545-D547 VanDerWaalsContact O-N 3.13Å
548	A	90.5	Very high	86.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	142.3	178.9	0	0	0	0	0	112.1	Q537 C540 K541 W544 G545 P546	Q537-A548 PolarHBondContact NE2-O 3.04Å; C540-A548 HydrophobicContact CB-CB 4.35Å; C540-A548 WeakPolarHBondContact O-CB 3.08Å; K541-A548 WeakPolarHBondContact CG-O 3.36Å; W544-A548 HydrophobicContact CB-CB 3.5Å; W544-A548 VanDerWaalsContact CB-CB 3.5Å; W544-A548 HydrophobicContact CG-CB 4.49Å; G545-A548 VanDerWaalsContact O-CB 3.27Å; G545-A548 WeakPolarHBondContact O-CB 3.45Å; G545-A548 PolarHBondContact O-N 3.44Å; P546-A548 VanDerWaalsContact C-N 3.29Å
549	E	94.7	Very high	86.9	Confident	122 Å²	122	50.8 Å²	50.8	57%	0.57	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	159.5	176.9	-64.2	-169.3	163.7	0	0	111.7	A551 C583 S584	E549-A551 PolarHBondContact O-N 3.34Å; E549-C583 CarbonylContact O-C 3.54Å; E549-C583 WeakPolarHBondContact O-CA 3.45Å; E549-C583 WeakPolarHBondContact O-CB 3.33Å; E549-S584 PolarHBondContact N-O 3.11Å; E549-S584 PolarHBondContact O-N 2.96Å
550	V	94.8	Very high	86.7	Confident	36 Å²	36	50.2 Å²	50.2	22%	0.218	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	130.3	169.4	-174.6	0	0	0	0	108.7	R536 Q537 F556	R536-V550 HydrophobicContact CB-CG1 4.29Å; R536-V550 HydrophobicContact CB-CG2 3.62Å; Q537-V550 HydrophobicContact CB-CG2 4.04Å; V550-F556 HydrophobicContact CG1-CE2 4.06Å; V550-F556 HydrophobicContact CG1-CZ 3.96Å
551	A	93.9	Very high	86.4	Confident	4 Å²	4	51 Å²	51	3%	0.033	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-64.9	164	178.1	0	0	0	0	0	111.7	E549 C555 F556 F582	E549-A551 PolarHBondContact O-N 3.34Å; A551-C555 HydrophobicContact CB-CB 4.17Å; A551-F556 HydrophobicContact CB-CE2 4.42Å; A551-F556 WeakPolarHBondContact O-CE2 3.31Å; A551-F582 HydrophobicContact CB-CB 3.68Å; A551-F582 VanDerWaalsContact CB-O 3.3Å; A551-F582 WeakPolarHBondContact CB-O 3.04Å; A551-F582 PolarHBondContact N-O 2.92Å
552	V	92.1	Very high	86	Confident	66 Å²	66	47.5 Å²	47.5	40%	0.4	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-61.2	148.3	177.8	-59.7	0	0	0	0	112	A554 C555 I604	V552-A554 HydrophobicContact CG2-CB 4.21Å; V552-A554 PolarHBondContact O-N 2.72Å; V552-C555 VanDerWaalsContact O-CB 3.26Å; V552-C555 WeakPolarHBondContact O-CB 3.31Å; V552-C555 PolarHBondContact O-N 3.15Å; V552-I604 HydrophobicContact CG1-CG2 4.38Å; V552-I604 HydrophobicContact CG2-CD1 4.33Å; V552-I604 HydrophobicContact CG2-CG2 3.71Å
553	D	89.5	Confident	85.6	Confident	113 Å²	113	47.7 Å²	47.7	60%	0.604	25%	0.252	S	S	*	.	H	α-helix	trans	-54.8	-29.5	-177.5	-70.1	-31	0	0	0	113.3	C555 F556 S557	D553-C555 PolarHBondContact O-N 3.44Å; D553-F556 WeakPolarHBondContact O-CB 3.49Å; D553-F556 PolarHBondContact O-N 3.13Å; D553-S557 PolarHBondContact O-N 3.4Å; D553-S557 PolarHBondContact O-OG 3.25Å
554	A	90.2	Very high	84.4	Confident	45 Å²	45	56.8 Å²	56.8	37%	0.372	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-27.4	177.1	0	0	0	0	0	113.5	V552 K558 V600	V552-A554 HydrophobicContact CG2-CB 4.21Å; V552-A554 PolarHBondContact O-N 2.72Å; A554-K558 VanDerWaalsContact O-CB 3.27Å; A554-K558 WeakPolarHBondContact O-CB 3.34Å; A554-K558 PolarHBondContact O-N 3.32Å; A554-K558 VanDerWaalsContact O-N 3.09Å; A554-V600 HydrophobicContact CB-CG1 3.73Å
555	C	90.8	Very high	82.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-46.6	171.4	-63.4	0	0	0	0	110.9	A551 V552 D553 Y559 F582 C606	A551-C555 HydrophobicContact CB-CB 4.17Å; V552-C555 VanDerWaalsContact O-CB 3.26Å; V552-C555 WeakPolarHBondContact O-CB 3.31Å; V552-C555 PolarHBondContact O-N 3.15Å; D553-C555 PolarHBondContact O-N 3.44Å; C555-Y559 PolarHBondContact O-N 3.05Å; C555-F582 HydrophobicContact CB-CB 3.9Å; C555-F582 HydrophobicContact CB-CD2 4.11Å; C555-F582 HydrophobicContact CB-CG 3.96Å; C555-C606 HydrophobicContact CB-CB 3.66Å; C555-C606 WeakPolarHBondContact CB-SG 2.84Å; C555-C606 WeakPolarHBondContact SG-CB 3.39Å; C555-C606 CovalentContact SG-SG 2.02Å; C555-C606 PolarHBondContact SG-SG 2.79Å
556	F	90.4	Very high	81.5	Confident	5 Å²	5	67.8 Å²	67.8	2%	0.022	35%	0.346	C	S	.	.	H	α-helix	trans	-69.4	-39.6	179.9	-61.3	-95	0	0	0	111.8	V550 A551 D553 G560 Q576 K580 L581 F582	V550-F556 HydrophobicContact CG1-CE2 4.06Å; V550-F556 HydrophobicContact CG1-CZ 3.96Å; A551-F556 HydrophobicContact CB-CE2 4.42Å; A551-F556 WeakPolarHBondContact O-CE2 3.31Å; D553-F556 WeakPolarHBondContact O-CB 3.49Å; D553-F556 PolarHBondContact O-N 3.13Å; F556-G560 WeakPolarHBondContact O-CA 2.99Å; F556-G560 PolarHBondContact O-N 2.82Å; F556-Q576 HydrophobicContact CB-CB 4.48Å; F556-K580 WeakPolarHBondContact CD1-O 3.25Å; F556-K580 WeakPolarHBondContact CE1-O 3.46Å; F556-L581 HydrophobicContact CE1-CD1 4.38Å; F556-L581 HydrophobicContact CZ-CD1 4.25Å; F556-F582 AromaticContact CD1-CD2 3.99Å; F556-F582 HydrophobicContact CD1-CD2 3.99Å; F556-F582 HydrophobicContact CE1-CD2 4.12Å; F556-F582 HydrophobicContact CE2-CB 4.18Å; F556-F582 HydrophobicContact CG-CD2 4.19Å; F556-F582 HydrophobicContact CZ-CB 4.08Å; F556-F582 HydrophobicContact CZ-CD2 4.43Å
557	S	87.3	Confident	80.4	Confident	49 Å²	49	72.2 Å²	72.2	34%	0.343	36%	0.356	S	S	.	.	H	α-helix	trans	-70	-33.1	178.6	-53.7	0	0	0	0	113.8	D553 K570 Q576	D553-S557 PolarHBondContact O-N 3.4Å; D553-S557 PolarHBondContact O-OG 3.25Å; S557-K570 WeakPolarHBondContact O-CE 3.49Å; S557-K570 PolarHBondContact O-NZ 3.37Å; S557-Q576 PolarHBondContact OG-OE1 2.88Å
558	K	85.3	Confident	79.3	Confident	110 Å²	110	71.8 Å²	71.8	48%	0.478	35%	0.354	S	S	.	.	H	α-helix	trans	-88.1	-43.3	-177	-166.4	176.1	179.4	-164.7	0	112.9	A554 V600	A554-K558 VanDerWaalsContact O-CB 3.27Å; A554-K558 WeakPolarHBondContact O-CB 3.34Å; A554-K558 PolarHBondContact O-N 3.32Å; A554-K558 VanDerWaalsContact O-N 3.09Å; K558-V600 HydrophobicContact CD-CG1 4.42Å; K558-V600 HydrophobicContact CD-CG2 4.12Å
559	Y	85.4	Confident	78.4	Confident	70 Å²	70	77.3 Å²	77.3	28%	0.275	38%	0.38	S	S	.	.	H	α-helix	trans	-118	-2.2	-171.6	-58.1	-68.9	0	0	0	114.1	C555 T561 Y598 Q599 V600	C555-Y559 PolarHBondContact O-N 3.05Å; Y559-T561 PolarHBondContact O-N 2.02Å; Y559-Y598 AromaticContact CD1-CD1 3.69Å; Y559-Y598 HydrophobicContact CD1-CD1 3.69Å; Y559-Y598 HydrophobicContact CD1-CE1 4.22Å; Y559-Y598 HydrophobicContact CD1-CG 4.27Å; Y559-Y598 HydrophobicContact CD2-CD1 4.3Å; Y559-Y598 HydrophobicContact CD2-CG 4.08Å; Y559-Y598 AromaticContact CE1-CD1 3.85Å; Y559-Y598 HydrophobicContact CE1-CD1 3.85Å; Y559-Y598 HydrophobicContact CE2-CD1 4.43Å; Y559-Y598 HydrophobicContact CE2-CG 4.34Å; Y559-Y598 AromaticContact CG-CD1 3.93Å; Y559-Y598 HydrophobicContact CG-CD1 3.93Å; Y559-Y598 HydrophobicContact CG-CG 4.04Å; Y559-Q599 PolarHBondContact OH-O 2.71Å; Y559-Q599 VanDerWaalsContact OH-O 3.14Å; Y559-V600 HydrophobicContact CD2-CG2 4.07Å; Y559-V600 HydrophobicContact CE2-CG2 3.62Å
560	G	84.5	Confident	77.8	Confident	2 Å²	2	78 Å²	78	2%	0.021	38%	0.381	C	S	.	.			trans	-67.4	125.7	180	0	0	0	0	0	113.3	F556 C571	F556-G560 WeakPolarHBondContact O-CA 2.99Å; F556-G560 PolarHBondContact O-N 2.82Å; G560-C571 PolarHBondContact O-N 3.44Å
561	T	85.8	Confident	77.2	Confident	18 Å²	18	76.7 Å²	76.7	11%	0.11	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-121.4	143.5	174.9	49.3	0	0	0	0	110.3	Y559 N568 Q569 C571 G579 K580	Y559-T561 PolarHBondContact O-N 2.02Å; T561-N568 HydrophobicContact CG2-CB 4.25Å; T561-Q569 WeakPolarHBondContact CA-O 3.42Å; T561-Q569 WeakPolarHBondContact CB-O 3.3Å; T561-C571 PolarHBondContact O-SG 3.33Å; T561-G579 VanDerWaalsContact O-CA 3.24Å; T561-G579 WeakPolarHBondContact O-CA 3.45Å; T561-K580 PolarHBondContact O-N 3.02Å; T561-K580 VanDerWaalsContact O-N 3.1Å; T561-K580 WeakPolarHBondContact OG1-CD 3.39Å; T561-K580 WeakPolarHBondContact OG1-CE 3.47Å; T561-K580 WeakPolarHBondContact OG1-CG 3.34Å
562	C	77.1	Confident	76.9	Confident	13 Å²	13	79.1 Å²	79.1	9%	0.088	39%	0.39	C	S	.	.			trans	-123.4	104.8	-174.9	-75.2	0	0	0	0	107.3	Q569 C571 D575 Q639	C562-Q569 PolarHBondContact N-O 3Å; C562-C571 VanDerWaalsContact CA-SG 3.6Å; C562-C571 HydrophobicContact CB-CB 3.99Å; C562-C571 WeakPolarHBondContact CB-SG 3.23Å; C562-C571 PolarHBondContact N-SG 3.21Å; C562-C571 WeakPolarHBondContact SG-CB 3.3Å; C562-C571 CovalentContact SG-SG 2.03Å; C562-C571 PolarHBondContact SG-SG 3.05Å; C562-D575 PolarHBondContact SG-O 2.97Å; C562-D575 VanDerWaalsContact SG-O 3.38Å; C562-Q639 PolarHBondContact SG-O 3.25Å; C562-Q639 VanDerWaalsContact SG-O 3.4Å
563	R	68	Low	76.5	Confident	137 Å²	137	81.1 Å²	81.1	52%	0.517	41%	0.407	S	S	.	.	S	Bend	trans	88	137.2	-167.2	-73	177.7	157	177.9	-7.6	117.1	T565	R563-T565 VanDerWaalsContact C-N 3.25Å; R563-T565 HydrophobicContact CB-CG2 4.41Å; R563-T565 PolarHBondContact O-N 2.8Å
564	R	55.4	Low	76.4	Confident	193 Å²	193	82.6 Å²	82.6	73%	0.728	40%	0.404	S	S	*	.			trans	-80.3	60.7	159.9	-74.1	174.6	56.2	107.3	-1.9	111
565	T	49.7	Very low	76.3	Confident	59 Å²	59	81.6 Å²	81.6	36%	0.362	39%	0.393	S	S	.	.			trans	-81.8	159.6	158.3	48.1	0	0	0	0	108.6	R563 F567 N568	R563-T565 VanDerWaalsContact C-N 3.25Å; R563-T565 HydrophobicContact CB-CG2 4.41Å; R563-T565 PolarHBondContact O-N 2.8Å; T565-F567 PolarHBondContact O-N 3.42Å; T565-N568 PolarHBondContact O-N 2.98Å
566	L	46.7	Very low	76.2	Confident	174 Å²	174	83.7 Å²	83.7	91%	0.911	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-10.7	177.2	-81.4	155.1	0	0	0	114.8
567	F	52.3	Low	76.1	Confident	180 Å²	180	84.5 Å²	84.5	79%	0.789	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	13.9	-170.6	-59.9	-68.9	0	0	0	115.7	T565 Q569	T565-F567 PolarHBondContact O-N 3.42Å; F567-Q569 PolarHBondContact O-N 3.28Å
568	N	61.3	Low	76.3	Confident	111 Å²	111	82.1 Å²	82.1	59%	0.594	39%	0.392	S	S	*	.			trans	43.4	58.6	176.9	-86.4	-16.8	0	0	0	112.5	T561 T565 K570	T561-N568 HydrophobicContact CG2-CB 4.25Å; T565-N568 PolarHBondContact O-N 2.98Å; N568-K570 PolarHBondContact O-N 3.03Å
569	Q	71.4	Confident	76.5	Confident	117 Å²	117	76.9 Å²	76.9	55%	0.547	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-63	123.3	-173.6	-169.2	170	25.8	0	0	110.6	T561 C562 F567	T561-Q569 WeakPolarHBondContact CA-O 3.42Å; T561-Q569 WeakPolarHBondContact CB-O 3.3Å; C562-Q569 PolarHBondContact N-O 3Å; F567-Q569 PolarHBondContact O-N 3.28Å
570	K	81.3	Confident	76.7	Confident	136 Å²	136	75.1 Å²	75.1	59%	0.591	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-62.9	136.9	176.1	-167.1	174.5	-177.3	177.1	0	109.8	S557 N568	S557-K570 WeakPolarHBondContact O-CE 3.49Å; S557-K570 PolarHBondContact O-NZ 3.37Å; N568-K570 PolarHBondContact O-N 3.03Å
571	C	83.3	Confident	77.1	Confident	9 Å²	9	75.1 Å²	75.1	6%	0.061	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-62.1	144.9	175.5	-65.3	0	0	0	0	111.7	G560 T561 C562 D575 Q576	G560-C571 PolarHBondContact O-N 3.44Å; T561-C571 PolarHBondContact O-SG 3.33Å; C562-C571 VanDerWaalsContact CA-SG 3.6Å; C562-C571 HydrophobicContact CB-CB 3.99Å; C562-C571 WeakPolarHBondContact CB-SG 3.23Å; C562-C571 PolarHBondContact N-SG 3.21Å; C562-C571 WeakPolarHBondContact SG-CB 3.3Å; C562-C571 CovalentContact SG-SG 2.03Å; C562-C571 PolarHBondContact SG-SG 3.05Å; C571-D575 HydrophobicContact CB-CB 4.43Å; C571-Q576 HydrophobicContact CB-CG 3.94Å
572	S	86.8	Confident	77.5	Confident	54 Å²	54	74.3 Å²	74.3	38%	0.378	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-63.9	158.5	162.4	83.3	0	0	0	0	109.6	R574 D575 Q576	S572-R574 PolarHBondContact O-N 2.9Å; S572-R574 VanDerWaalsContact O-N 3.16Å; S572-R574 PolarHBondContact OG-N 3.16Å; S572-D575 PolarHBondContact O-N 3.06Å; S572-D575 PolarHBondContact OG-N 2.04Å; S572-D575 PolarHBondContact OG-OD2 2.92Å; S572-Q576 WeakPolarHBondContact O-CG 3.39Å; S572-Q576 PolarHBondContact O-N 3.4Å; S572-Q576 VanDerWaalsContact O-N 3.17Å
573	S	84.7	Confident	78.3	Confident	108 Å²	108	73.7 Å²	73.7	76%	0.755	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.9	177.2	51.9	0	0	0	0	112.9
574	R	86.9	Confident	79.5	Confident	145 Å²	145	68.8 Å²	68.8	55%	0.547	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-30.3	176.9	178	175.2	165.2	172.5	-1.9	113.2	S572 C641	S572-R574 PolarHBondContact O-N 2.9Å; S572-R574 VanDerWaalsContact O-N 3.16Å; S572-R574 PolarHBondContact OG-N 3.16Å; R574-C641 HydrophobicContact CG-CB 4.24Å; R574-C641 PolarHBondContact NE-O 2.88Å; R574-C641 PolarHBondContact NH2-O 3.12Å; R574-C641 WeakPolarHBondContact O-CB 3.34Å
575	D	89	Confident	81	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.128	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-5.4	-173	-57.7	-44.5	0	0	0	113.8	C562 C571 S572 S577 C578 G579 K640 C641	C562-D575 PolarHBondContact SG-O 2.97Å; C562-D575 VanDerWaalsContact SG-O 3.38Å; C571-D575 HydrophobicContact CB-CB 4.43Å; S572-D575 PolarHBondContact O-N 3.06Å; S572-D575 PolarHBondContact OG-N 2.04Å; S572-D575 PolarHBondContact OG-OD2 2.92Å; D575-S577 PolarHBondContact O-N 3.35Å; D575-S577 VanDerWaalsContact O-N 3.09Å; D575-C578 PolarHBondContact O-N 2.78Å; D575-G579 PolarHBondContact O-N 2.84Å; D575-K640 WeakPolarHBondContact OD1-CA 2.99Å; D575-C641 PolarHBondContact OD1-N 3.06Å
576	Q	88.4	Confident	82.6	Confident	44 Å²	44	60.5 Å²	60.5	21%	0.206	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-53.6	-34.2	-176.8	-80.8	173.3	19.5	0	0	113.5	F556 S557 C571 S572 C578	F556-Q576 HydrophobicContact CB-CB 4.48Å; S557-Q576 PolarHBondContact OG-OE1 2.88Å; C571-Q576 HydrophobicContact CB-CG 3.94Å; S572-Q576 WeakPolarHBondContact O-CG 3.39Å; S572-Q576 PolarHBondContact O-N 3.4Å; S572-Q576 VanDerWaalsContact O-N 3.17Å; Q576-C578 PolarHBondContact O-N 3.27Å
577	S	88.5	Confident	84	Confident	21 Å²	21	55.8 Å²	55.8	15%	0.147	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-75.4	-4.3	178	55.6	0	0	0	0	114.6	D575 V624 C630 C636	D575-S577 PolarHBondContact O-N 3.35Å; D575-S577 VanDerWaalsContact O-N 3.09Å; S577-V624 WeakPolarHBondContact O-CG1 3.31Å; S577-V624 WeakPolarHBondContact O-CG2 3.38Å; S577-C630 VanDerWaalsContact OG-CB 3.26Å; S577-C630 WeakPolarHBondContact OG-CB 3.03Å; S577-C636 PolarHBondContact O-SG 3.45Å
578	C	91.4	Very high	85	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-122.1	0.8	-175.2	-61.7	0	0	0	0	114	D575 Q576 C630 C636 Q639	D575-C578 PolarHBondContact O-N 2.78Å; Q576-C578 PolarHBondContact O-N 3.27Å; C578-C630 WeakPolarHBondContact SG-CB 3.23Å; C578-C636 WeakPolarHBondContact CA-SG 3.03Å; C578-C636 HydrophobicContact CB-CB 3.56Å; C578-C636 WeakPolarHBondContact CB-SG 3.23Å; C578-C636 WeakPolarHBondContact SG-CA 3.48Å; C578-C636 WeakPolarHBondContact SG-CB 3.36Å; C578-C636 CovalentContact SG-SG 2.04Å; C578-C636 PolarHBondContact SG-SG 2.04Å; C578-Q639 VanDerWaalsContact O-CA 3.32Å; C578-Q639 WeakPolarHBondContact O-CA 3.46Å
579	G	89.1	Confident	85.6	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-83.1	-142.8	177	0	0	0	0	0	112.9	T561 D575 M623 V624	T561-G579 VanDerWaalsContact O-CA 3.24Å; T561-G579 WeakPolarHBondContact O-CA 3.45Å; D575-G579 PolarHBondContact O-N 2.84Å; G579-M623 VanDerWaalsContact C-CE 3.47Å; G579-V624 WeakPolarHBondContact O-CG2 3.22Å; G579-V624 PolarHBondContact O-N 3.09Å
580	K	89.9	Confident	85.8	Confident	33 Å²	33	40.7 Å²	40.7	14%	0.143	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-53.8	139.3	170.2	-76.3	-175.4	171.9	-155.8	0	112	F556 T561 F582 E608 M623	F556-K580 WeakPolarHBondContact CD1-O 3.25Å; F556-K580 WeakPolarHBondContact CE1-O 3.46Å; T561-K580 PolarHBondContact O-N 3.02Å; T561-K580 VanDerWaalsContact O-N 3.1Å; T561-K580 WeakPolarHBondContact OG1-CD 3.39Å; T561-K580 WeakPolarHBondContact OG1-CE 3.47Å; T561-K580 WeakPolarHBondContact OG1-CG 3.34Å; K580-F582 HydrophobicContact CB-CE2 3.98Å; K580-F582 HydrophobicContact CB-CZ 4.14Å; K580-F582 HydrophobicContact CD-CZ 4.35Å; K580-E608 VanDerWaalsContact CD-OE1 3.3Å; K580-E608 WeakPolarHBondContact CD-OE1 3.38Å; K580-E608 WeakPolarHBondContact CE-OE1 3.47Å; K580-E608 IonicContact NZ-OE1 2.71Å; K580-E608 PolarHBondContact NZ-OE1 3.06Å; K580-E608 IonicContact NZ-OE2 2.72Å; K580-E608 PolarHBondContact NZ-OE2 3.15Å; K580-M623 HydrophobicContact CB-SD 4.35Å; K580-M623 HydrophobicContact CG-CE 4.39Å; K580-M623 HydrophobicContact CG-SD 3.74Å
581	L	92	Very high	85	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	21%	0.205	C	C	.	.			trans	-89.3	130.5	174	-177.1	68.9	0	0	0	110.4	R536 H539 L543 F556 G622 V624	R536-L581 HydrophobicContact CB-CD1 4Å; R536-L581 HydrophobicContact CG-CD1 4.05Å; H539-L581 HydrophobicContact CB-CD2 4.12Å; H539-L581 VanDerWaalsContact CD2-CD2 3.46Å; H539-L581 WeakPolarHBondContact CD2-CD2 3.29Å; L543-L581 HydrophobicContact CD1-CD2 4.13Å; F556-L581 HydrophobicContact CE1-CD1 4.38Å; F556-L581 HydrophobicContact CZ-CD1 4.25Å; L581-G622 PolarHBondContact N-O 2.97Å; L581-G622 VanDerWaalsContact N-O 3.08Å; L581-V624 HydrophobicContact CB-CG2 4.18Å; L581-V624 HydrophobicContact CD1-CG2 4Å
582	F	93.7	Very high	84.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.202	C	C	.	.			trans	-115	134.2	170.1	-62.4	-79.1	0	0	0	109.8	A551 C555 F556 K580 Y598 C606 N607 E608	A551-F582 HydrophobicContact CB-CB 3.68Å; A551-F582 VanDerWaalsContact CB-O 3.3Å; A551-F582 WeakPolarHBondContact CB-O 3.04Å; A551-F582 PolarHBondContact N-O 2.92Å; C555-F582 HydrophobicContact CB-CB 3.9Å; C555-F582 HydrophobicContact CB-CD2 4.11Å; C555-F582 HydrophobicContact CB-CG 3.96Å; F556-F582 AromaticContact CD1-CD2 3.99Å; F556-F582 HydrophobicContact CD1-CD2 3.99Å; F556-F582 HydrophobicContact CE1-CD2 4.12Å; F556-F582 HydrophobicContact CE2-CB 4.18Å; F556-F582 HydrophobicContact CG-CD2 4.19Å; F556-F582 HydrophobicContact CZ-CB 4.08Å; F556-F582 HydrophobicContact CZ-CD2 4.43Å; K580-F582 HydrophobicContact CB-CE2 3.98Å; K580-F582 HydrophobicContact CB-CZ 4.14Å; K580-F582 HydrophobicContact CD-CZ 4.35Å; F582-Y598 HydrophobicContact CD1-CD2 4.37Å; F582-Y598 AromaticContact CE1-CD2 3.68Å; F582-Y598 HydrophobicContact CE1-CD2 3.68Å; F582-Y598 AromaticContact CE1-CE2 3.88Å; F582-Y598 HydrophobicContact CE1-CE2 3.88Å; F582-C606 HydrophobicContact CB-CB 4.35Å; F582-C606 HydrophobicContact CD1-CB 3.88Å; F582-C606 HydrophobicContact CG-CB 4.32Å; F582-N607 WeakPolarHBondContact CA-O 3.47Å; F582-E608 HydrophobicContact CD1-CB 4.11Å; F582-E608 HydrophobicContact CE1-CB 3.96Å
583	C	94.4	Very high	83.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	165.2	178.2	-53	0	0	0	0	110.7	C540 W544 E549 N607	C540-C583 WeakPolarHBondContact CA-SG 3.02Å; C540-C583 HydrophobicContact CB-CB 3.82Å; C540-C583 WeakPolarHBondContact CB-SG 3.49Å; C540-C583 WeakPolarHBondContact SG-CB 3.37Å; C540-C583 CovalentContact SG-SG 2.04Å; C540-C583 PolarHBondContact SG-SG 2.93Å; W544-C583 VanDerWaalsContact CD1-SG 3.55Å; W544-C583 HydrophobicContact CG-CB 4.35Å; E549-C583 CarbonylContact O-C 3.54Å; E549-C583 WeakPolarHBondContact O-CA 3.45Å; E549-C583 WeakPolarHBondContact O-CB 3.33Å; C583-N607 PolarHBondContact N-O 2.93Å; C583-N607 VanDerWaalsContact O-CB 3.3Å; C583-N607 WeakPolarHBondContact O-CB 3.5Å; C583-N607 PolarHBondContact O-N 3.47Å
584	S	92.6	Very high	82.5	Confident	34 Å²	34	34.6 Å²	34.6	24%	0.238	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.5	173.8	53.2	0	0	0	0	110.3	E549	E549-S584 PolarHBondContact N-O 3.11Å; E549-S584 PolarHBondContact O-N 2.96Å
585	G	86.8	Confident	82.4	Confident	45 Å²	45	30.2 Å²	30.2	46%	0.464	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.5	-163.7	-174.1	0	0	0	0	0	112.4
586	G	84.7	Confident	82.3	Confident	33 Å²	33	30.9 Å²	30.9	34%	0.34	17%	0.17	S	C	.	.	S	Bend	trans	79.5	-160	-174.6	0	0	0	0	0	114.1	W544	W544-G586 CarbonylContact O-C 3.45Å; W544-G586 VanDerWaalsContact O-CA 3.24Å; W544-G586 WeakPolarHBondContact O-CA 3.19Å
587	W	74.9	Confident	82.3	Confident	75 Å²	75	33.1 Å²	33.1	28%	0.284	18%	0.183	S	C	.	.			trans	-63.8	158.2	175.6	-57.6	-25.8	0	0	0	111.9	W544 G545 F589 I591	W544-W587 WeakPolarHBondContact O-CB 3.5Å; W544-W587 PolarHBondContact O-N 2.95Å; G545-W587 VanDerWaalsContact CA-CE2 3.47Å; W587-F589 VanDerWaalsContact C-N 3.34Å; W587-F589 PolarHBondContact O-N 3.32Å; W587-I591 HydrophobicContact CZ3-CG2 3.93Å
588	D	74.3	Confident	82.2	Confident	40 Å²	40	35.2 Å²	35.2	21%	0.214	19%	0.188	C	C	.	.	S	Bend	trans	-71.2	-32.6	-178.4	-151.7	-2.8	0	0	0	112.3	F195 H198 K595	F195-D588 HydrophobicContact CD1-CB 4.11Å; F195-D588 WeakPolarHBondContact CD1-OD2 3.42Å; F195-D588 HydrophobicContact CE1-CB 4.03Å; F195-D588 WeakPolarHBondContact CE1-OD1 3.37Å; F195-D588 WeakPolarHBondContact CE1-OD2 3.39Å; F195-D588 WeakPolarHBondContact CE2-OD2 3.35Å; F195-D588 WeakPolarHBondContact CZ-OD1 3.33Å; F195-D588 WeakPolarHBondContact CZ-OD2 3.38Å; H198-D588 HydrophobicContact CB-CB 3.88Å; H198-D588 IonicContact CD2-OD2 2.67Å; D588-K595 VanDerWaalsContact O-CD 3.24Å; D588-K595 WeakPolarHBondContact O-CD 3.48Å; D588-K595 WeakPolarHBondContact O-CE 3.3Å; D588-K595 PolarHBondContact O-NZ 3.18Å; D588-K595 IonicContact OD1-NZ 2.81Å; D588-K595 PolarHBondContact OD1-NZ 3.47Å
589	F	74.1	Confident	82	Confident	46 Å²	46	40.2 Å²	40.2	20%	0.202	21%	0.212	C	C	.	.	S	Bend	trans	-121.9	148.8	170.9	-72.3	-68.1	0	0	0	111.6	F195 Y196 W587 K595	F195-F589 HydrophobicContact CB-CE2 3.73Å; F195-F589 HydrophobicContact CB-CZ 4.28Å; F195-F589 AromaticContact CD1-CD2 3.72Å; F195-F589 HydrophobicContact CD1-CD2 3.72Å; F195-F589 HydrophobicContact CD1-CE1 4.18Å; F195-F589 AromaticContact CD1-CE2 3.12Å; F195-F589 HydrophobicContact CD1-CE2 3.12Å; F195-F589 AromaticContact CD1-CZ 3.34Å; F195-F589 HydrophobicContact CD1-CZ 3.34Å; F195-F589 HydrophobicContact CE1-CD2 4.44Å; F195-F589 HydrophobicContact CE1-CE1 4.27Å; F195-F589 AromaticContact CE1-CE2 3.97Å; F195-F589 HydrophobicContact CE1-CE2 3.97Å; F195-F589 AromaticContact CE1-CZ 3.82Å; F195-F589 HydrophobicContact CE1-CZ 3.82Å; F195-F589 AromaticContact CG-CE2 3.85Å; F195-F589 HydrophobicContact CG-CE2 3.85Å; F195-F589 HydrophobicContact CG-CZ 4.13Å; F195-F589 VanDerWaalsContact O-CD2 3.31Å; F195-F589 WeakPolarHBondContact O-CD2 3.06Å; F195-F589 WeakPolarHBondContact O-CE2 3.25Å; Y196-F589 AromaticContact CD1-CD2 3.48Å; Y196-F589 HydrophobicContact CD1-CD2 3.48Å; Y196-F589 VanDerWaalsContact CD1-CD2 3.48Å; Y196-F589 AromaticContact CD1-CE2 3.6Å; Y196-F589 HydrophobicContact CD1-CE2 3.6Å; Y196-F589 HydrophobicContact CD1-CG 4.37Å; Y196-F589 AromaticContact CE1-CD2 3.53Å; Y196-F589 HydrophobicContact CE1-CD2 3.53Å; Y196-F589 AromaticContact CE1-CE2 3.34Å; Y196-F589 HydrophobicContact CE1-CE2 3.34Å; Y196-F589 HydrophobicContact CE1-CG 4.21Å; Y196-F589 HydrophobicContact CE1-CZ 4.03Å; Y196-F589 HydrophobicContact CE2-CE2 4.44Å; Y196-F589 HydrophobicContact CG-CD2 4.35Å; Y196-F589 HydrophobicContact CG-CE2 4.25Å; Y196-F589 AromaticContact CZ-CE2 3.81Å; W587-F589 VanDerWaalsContact C-N 3.34Å; W587-F589 PolarHBondContact O-N 3.32Å; F589-K595 HydrophobicContact CD1-CD 3.91Å; F589-K595 HydrophobicContact CD1-CG 3.83Å; F589-K595 HydrophobicContact CE1-CD 4.15Å; F589-K595 HydrophobicContact CE1-CG 3.93Å
590	P	75.2	Confident	81.8	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.032	22%	0.217	C	C	.	.			trans	-76.3	167.3	174	32.7	-32	0	0	0	110.8	L543 W544 T592 S593 R594 K595 A609	L543-P590 CarbonylContact O-C 3.54Å; L543-P590 WeakPolarHBondContact O-CA 3.42Å; L543-P590 WeakPolarHBondContact O-CB 3.01Å; W544-P590 HydrophobicContact CD2-CB 3.86Å; W544-P590 HydrophobicContact CE3-CB 4.04Å; W544-P590 HydrophobicContact CG-CB 4.5Å; W544-P590 HydrophobicContact CH2-CB 4.1Å; W544-P590 HydrophobicContact CH2-CG 3.83Å; W544-P590 HydrophobicContact CZ2-CB 3.9Å; W544-P590 HydrophobicContact CZ2-CG 3.92Å; W544-P590 HydrophobicContact CZ3-CB 4.18Å; W544-P590 VanDerWaalsContact CZ3-CD 3.47Å; W544-P590 HydrophobicContact CZ3-CG 4.14Å; P590-T592 WeakPolarHBondContact CG-OG1 3.4Å; P590-T592 PolarHBondContact O-N 2.79Å; P590-S593 WeakPolarHBondContact O-CA 3.46Å; P590-S593 PolarHBondContact O-N 2.83Å; P590-R594 WeakPolarHBondContact CG-O 3.28Å; P590-K595 HydrophobicContact CG-CB 4.42Å; P590-A609 HydrophobicContact CB-CB 3.76Å; P590-A609 HydrophobicContact CG-CB 3.86Å
591	I	64.4	Low	81.3	Confident	30 Å²	30	42.8 Å²	42.8	15%	0.154	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-23.4	173.4	64.4	176.3	0	0	0	113.3	L543 W587 S593 Y617 L621	L543-I591 HydrophobicContact CD2-CD1 4.02Å; L543-I591 HydrophobicContact CD2-CG1 3.91Å; L543-I591 PolarHBondContact O-N 3.41Å; W587-I591 HydrophobicContact CZ3-CG2 3.93Å; I591-S593 PolarHBondContact O-N 2.79Å; I591-Y617 PolarHBondContact O-OH 3.23Å; I591-L621 HydrophobicContact CD1-CD2 4.49Å
592	T	65.9	Low	80.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.1	176.2	69.5	0	0	0	0	112.8	L543 P590 R594 A609 T610 M611	L543-T592 HydrophobicContact CD2-CG2 4.28Å; P590-T592 WeakPolarHBondContact CG-OG1 3.4Å; P590-T592 PolarHBondContact O-N 2.79Å; T592-R594 PolarHBondContact O-N 3.14Å; T592-R594 PolarHBondContact OG1-O 2.83Å; T592-A609 HydrophobicContact CG2-CB 4.43Å; T592-T610 VanDerWaalsContact CB-O 3.31Å; T592-T610 WeakPolarHBondContact CB-O 3.12Å; T592-T610 PolarHBondContact OG1-O 2.88Å; T592-M611 HydrophobicContact CG2-CE 3.63Å; T592-M611 HydrophobicContact CG2-CG 4.36Å
593	S	63.4	Low	79.3	Confident	25 Å²	25	60.8 Å²	60.8	18%	0.175	32%	0.324	C	S	.	.	S	Bend	trans	59.9	3.3	-178.7	-53.6	0	0	0	0	115.2	P590 I591	P590-S593 WeakPolarHBondContact O-CA 3.46Å; P590-S593 PolarHBondContact O-N 2.83Å; I591-S593 PolarHBondContact O-N 2.79Å
594	R	72.5	Confident	78.7	Confident	124 Å²	124	64.4 Å²	64.4	47%	0.468	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.5	177.4	-70.6	-171	174.3	-146.4	-3.8	110.9	P590 T592 T610 N612	P590-R594 WeakPolarHBondContact CG-O 3.28Å; T592-R594 PolarHBondContact O-N 3.14Å; T592-R594 PolarHBondContact OG1-O 2.83Å; R594-T610 WeakPolarHBondContact CB-OG1 3.34Å; R594-T610 PolarHBondContact O-N 2.84Å; R594-T610 PolarHBondContact O-OG1 3.4Å; R594-N612 PolarHBondContact NE-OD1 3.39Å; R594-N612 PolarHBondContact NH1-OD1 2.97Å; R594-N612 PolarHBondContact NH2-ND2 3.31Å
595	K	84.9	Confident	78.4	Confident	53 Å²	53	66.1 Å²	66.1	23%	0.23	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.2	176.5	66.7	178	176.3	177.6	0	113.3	W544 D588 F589 P590 E608	W544-K595 HydrophobicContact CH2-CB 3.55Å; W544-K595 HydrophobicContact CH2-CD 3.97Å; W544-K595 HydrophobicContact CH2-CG 4.42Å; W544-K595 HydrophobicContact CZ2-CB 4.41Å; W544-K595 HydrophobicContact CZ3-CB 4.34Å; W544-K595 HydrophobicContact CZ3-CD 4.07Å; D588-K595 VanDerWaalsContact O-CD 3.24Å; D588-K595 WeakPolarHBondContact O-CD 3.48Å; D588-K595 WeakPolarHBondContact O-CE 3.3Å; D588-K595 PolarHBondContact O-NZ 3.18Å; D588-K595 IonicContact OD1-NZ 2.81Å; D588-K595 PolarHBondContact OD1-NZ 3.47Å; F589-K595 HydrophobicContact CD1-CD 3.91Å; F589-K595 HydrophobicContact CD1-CG 3.83Å; F589-K595 HydrophobicContact CE1-CD 4.15Å; F589-K595 HydrophobicContact CE1-CG 3.93Å; P590-K595 HydrophobicContact CG-CB 4.42Å; K595-E608 CarbonylContact C-O 3.54Å; K595-E608 VanDerWaalsContact CA-O 3.23Å; K595-E608 WeakPolarHBondContact CA-O 3.36Å
596	S	87.6	Confident	78.6	Confident	39 Å²	39	64 Å²	64	27%	0.273	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.5	161.1	-71.8	0	0	0	0	109.2	E608 T610	S596-E608 PolarHBondContact N-O 2.99Å; S596-E608 PolarHBondContact O-N 3.25Å; S596-T610 WeakPolarHBondContact OG-CG2 3.16Å
597	L	87.5	Confident	78.9	Confident	90 Å²	90	63.2 Å²	63.2	47%	0.471	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.2	-178.9	-177.9	72.8	0	0	0	109.1	N605 N607	L597-N605 HydrophobicContact CD1-CB 3.85Å; L597-N607 WeakPolarHBondContact CD1-OD1 3.3Å
598	Y	87.3	Confident	79.7	Confident	65 Å²	65	60.2 Å²	60.2	26%	0.255	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.4	172.7	-53.5	-91.3	0	0	0	110.6	Y559 F582 C606 E608	Y559-Y598 AromaticContact CD1-CD1 3.69Å; Y559-Y598 HydrophobicContact CD1-CD1 3.69Å; Y559-Y598 HydrophobicContact CD1-CE1 4.22Å; Y559-Y598 HydrophobicContact CD1-CG 4.27Å; Y559-Y598 HydrophobicContact CD2-CD1 4.3Å; Y559-Y598 HydrophobicContact CD2-CG 4.08Å; Y559-Y598 AromaticContact CE1-CD1 3.85Å; Y559-Y598 HydrophobicContact CE1-CD1 3.85Å; Y559-Y598 HydrophobicContact CE2-CD1 4.43Å; Y559-Y598 HydrophobicContact CE2-CG 4.34Å; Y559-Y598 AromaticContact CG-CD1 3.93Å; Y559-Y598 HydrophobicContact CG-CD1 3.93Å; Y559-Y598 HydrophobicContact CG-CG 4.04Å; F582-Y598 HydrophobicContact CD1-CD2 4.37Å; F582-Y598 AromaticContact CE1-CD2 3.68Å; F582-Y598 HydrophobicContact CE1-CD2 3.68Å; F582-Y598 AromaticContact CE1-CE2 3.88Å; F582-Y598 HydrophobicContact CE1-CE2 3.88Å; Y598-C606 PolarHBondContact N-O 3.13Å; Y598-C606 PolarHBondContact O-N 2.83Å; Y598-E608 HydrophobicContact CE2-CB 4.05Å; Y598-E608 VanDerWaalsContact CE2-OE2 3.23Å; Y598-E608 WeakPolarHBondContact CE2-OE2 3.07Å; Y598-E608 PolarHBondContact OH-OE2 3.5Å
599	Q	86	Confident	80.2	Confident	106 Å²	106	58.5 Å²	58.5	50%	0.495	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.1	178.2	-70.7	-171.4	-23.9	0	0	112	Y559 I604 N605	Y559-Q599 PolarHBondContact OH-O 2.71Å; Y559-Q599 VanDerWaalsContact OH-O 3.14Å; Q599-I604 WeakPolarHBondContact CA-O 3.26Å; Q599-N605 PolarHBondContact NE2-OD1 3.3Å
600	V	85.2	Confident	80.4	Confident	18 Å²	18	57.8 Å²	57.8	11%	0.109	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.8	176.1	-173.3	0	0	0	0	109.7	A554 K558 Y559 I604 C606	A554-V600 HydrophobicContact CB-CG1 3.73Å; K558-V600 HydrophobicContact CD-CG1 4.42Å; K558-V600 HydrophobicContact CD-CG2 4.12Å; Y559-V600 HydrophobicContact CD2-CG2 4.07Å; Y559-V600 HydrophobicContact CE2-CG2 3.62Å; V600-I604 PolarHBondContact N-O 3.09Å; V600-I604 WeakPolarHBondContact O-CB 3.47Å; V600-I604 PolarHBondContact O-N 2.96Å; V600-C606 VanDerWaalsContact CG2-SG 3.55Å
601	G	78.9	Confident	80.2	Confident	69 Å²	69	59.5 Å²	59.5	71%	0.711	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-138.2	177.2	0	0	0	0	0	113.6	R603	G601-R603 VanDerWaalsContact C-N 3.33Å; G601-R603 PolarHBondContact O-N 3.47Å
602	N	71.6	Confident	80	Confident	165 Å²	165	59.5 Å²	59.5	88%	0.882	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	70.7	-173.9	-129.7	17.4	0	0	0	111.8
603	R	73	Confident	79.5	Confident	215 Å²	215	64.5 Å²	64.5	81%	0.811	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	30.5	177.2	-54.6	-176.4	178.2	-175.8	-0.9	116.8	G601 N605	G601-R603 VanDerWaalsContact C-N 3.33Å; G601-R603 PolarHBondContact O-N 3.47Å; R603-N605 PolarHBondContact O-N 2.9Å
604	I	81.2	Confident	78.7	Confident	75 Å²	75	68.6 Å²	68.6	39%	0.385	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.3	171	-53.7	172.9	0	0	0	108.9	V552 Q599 V600	V552-I604 HydrophobicContact CG1-CG2 4.38Å; V552-I604 HydrophobicContact CG2-CD1 4.33Å; V552-I604 HydrophobicContact CG2-CG2 3.71Å; Q599-I604 WeakPolarHBondContact CA-O 3.26Å; V600-I604 PolarHBondContact N-O 3.09Å; V600-I604 WeakPolarHBondContact O-CB 3.47Å; V600-I604 PolarHBondContact O-N 2.96Å
605	N	87.2	Confident	77.5	Confident	70 Å²	70	63.3 Å²	63.3	37%	0.374	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.8	179	-72.2	-17.1	0	0	0	110.7	L597 Q599 R603	L597-N605 HydrophobicContact CD1-CB 3.85Å; Q599-N605 PolarHBondContact NE2-OD1 3.3Å; R603-N605 PolarHBondContact O-N 2.9Å
606	C	90.9	Very high	75.7	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	103.8	172.5	-46.8	0	0	0	0	108.1	C555 F582 Y598 V600	C555-C606 HydrophobicContact CB-CB 3.66Å; C555-C606 WeakPolarHBondContact CB-SG 2.84Å; C555-C606 WeakPolarHBondContact SG-CB 3.39Å; C555-C606 CovalentContact SG-SG 2.02Å; C555-C606 PolarHBondContact SG-SG 2.79Å; F582-C606 HydrophobicContact CB-CB 4.35Å; F582-C606 HydrophobicContact CD1-CB 3.88Å; F582-C606 HydrophobicContact CG-CB 4.32Å; Y598-C606 PolarHBondContact N-O 3.13Å; Y598-C606 PolarHBondContact O-N 2.83Å; V600-C606 VanDerWaalsContact CG2-SG 3.55Å
607	N	91.9	Very high	73.9	Confident	17 Å²	17	67.5 Å²	67.5	9%	0.091	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122	-179.8	-61	-23.4	0	0	0	109.5	W544 F582 C583 L597	W544-N607 HydrophobicContact CH2-CB 3.65Å; W544-N607 HydrophobicContact CZ2-CB 3.67Å; W544-N607 HydrophobicContact CZ3-CB 4.19Å; F582-N607 WeakPolarHBondContact CA-O 3.47Å; C583-N607 PolarHBondContact N-O 2.93Å; C583-N607 VanDerWaalsContact O-CB 3.3Å; C583-N607 WeakPolarHBondContact O-CB 3.5Å; C583-N607 PolarHBondContact O-N 3.47Å; L597-N607 WeakPolarHBondContact CD1-OD1 3.3Å
608	E	90.6	Very high	72.3	Confident	13 Å²	13	66.8 Å²	66.8	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.7	171.4	179.4	-176.6	173.8	0	0	109.3	K580 F582 K595 S596 Y598 T610	K580-E608 VanDerWaalsContact CD-OE1 3.3Å; K580-E608 WeakPolarHBondContact CD-OE1 3.38Å; K580-E608 WeakPolarHBondContact CE-OE1 3.47Å; K580-E608 IonicContact NZ-OE1 2.71Å; K580-E608 PolarHBondContact NZ-OE1 3.06Å; K580-E608 IonicContact NZ-OE2 2.72Å; K580-E608 PolarHBondContact NZ-OE2 3.15Å; F582-E608 HydrophobicContact CD1-CB 4.11Å; F582-E608 HydrophobicContact CE1-CB 3.96Å; K595-E608 CarbonylContact C-O 3.54Å; K595-E608 VanDerWaalsContact CA-O 3.23Å; K595-E608 WeakPolarHBondContact CA-O 3.36Å; S596-E608 PolarHBondContact N-O 2.99Å; S596-E608 PolarHBondContact O-N 3.25Å; Y598-E608 HydrophobicContact CE2-CB 4.05Å; Y598-E608 VanDerWaalsContact CE2-OE2 3.23Å; Y598-E608 WeakPolarHBondContact CE2-OE2 3.07Å; Y598-E608 PolarHBondContact OH-OE2 3.5Å; E608-T610 HydrophobicContact CG-CG2 4.03Å; E608-T610 PolarHBondContact O-N 3.08Å
609	A	85.8	Confident	70.7	Confident	3 Å²	3	69 Å²	69	3%	0.025	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115	170.5	0	0	0	0	0	108.5	L543 W544 P590 T592	L543-A609 HydrophobicContact CD1-CB 4.04Å; L543-A609 HydrophobicContact CD2-CB 4.4Å; W544-A609 HydrophobicContact CZ2-CB 4.07Å; P590-A609 HydrophobicContact CB-CB 3.76Å; P590-A609 HydrophobicContact CG-CB 3.86Å; T592-A609 HydrophobicContact CG2-CB 4.43Å
610	T	78.2	Confident	69.5	Low	32 Å²	32	66.9 Å²	66.9	20%	0.196	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	158.3	179.9	56.5	0	0	0	0	110.5	T592 R594 S596 E608	T592-T610 VanDerWaalsContact CB-O 3.31Å; T592-T610 WeakPolarHBondContact CB-O 3.12Å; T592-T610 PolarHBondContact OG1-O 2.88Å; R594-T610 WeakPolarHBondContact CB-OG1 3.34Å; R594-T610 PolarHBondContact O-N 2.84Å; R594-T610 PolarHBondContact O-OG1 3.4Å; S596-T610 WeakPolarHBondContact OG-CG2 3.16Å; E608-T610 HydrophobicContact CG-CG2 4.03Å; E608-T610 PolarHBondContact O-N 3.08Å
611	M	69.3	Low	69	Low	40 Å²	40	67.1 Å²	67.1	20%	0.197	37%	0.372	C	S	.	.			trans	-134.6	146.2	-172.1	-39.1	-170	83.6	0	0	109	T592 Y617 L621	T592-M611 HydrophobicContact CG2-CE 3.63Å; T592-M611 HydrophobicContact CG2-CG 4.36Å; M611-Y617 HydrophobicContact CE-CD1 3.86Å; M611-Y617 HydrophobicContact CE-CD2 3.43Å; M611-Y617 VanDerWaalsContact CE-CD2 3.43Å; M611-Y617 HydrophobicContact CE-CE2 4.25Å; M611-Y617 HydrophobicContact CE-CG 3.22Å; M611-L621 HydrophobicContact CE-CB 3.32Å; M611-L621 HydrophobicContact CE-CD1 3.64Å; M611-L621 HydrophobicContact CE-CG 4.1Å; M611-L621 HydrophobicContact SD-CB 3.47Å; M611-L621 WeakPolarHBondContact SD-CB 3.43Å
612	N	60.5	Low	69	Low	30 Å²	30	64.2 Å²	64.2	16%	0.16	34%	0.342	C	S	.	.			trans	-77.3	134.4	167.8	-88.2	-8.2	0	0	0	108.5	R594 E614 D615	R594-N612 PolarHBondContact NE-OD1 3.39Å; R594-N612 PolarHBondContact NH1-OD1 2.97Å; R594-N612 PolarHBondContact NH2-ND2 3.31Å; N612-E614 PolarHBondContact O-N 3.3Å; N612-E614 VanDerWaalsContact O-N 3.15Å; N612-D615 WeakPolarHBondContact CB-OD1 3.5Å; N612-D615 WeakPolarHBondContact CB-OD2 3.37Å; N612-D615 PolarHBondContact N-OD2 2.91Å; N612-D615 VanDerWaalsContact O-CB 3.31Å; N612-D615 WeakPolarHBondContact O-CB 3.27Å; N612-D615 VanDerWaalsContact O-CG 3.3Å; N612-D615 PolarHBondContact O-N 3.01Å
613	P	55.3	Low	69.7	Low	105 Å²	105	57.4 Å²	57.4	68%	0.682	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.6	178.9	-22.3	32.9	0	0	0	114.4	D615	P613-D615 VanDerWaalsContact C-N 3.32Å
614	E	47.9	Very low	70.5	Confident	112 Å²	112	47.3 Å²	47.3	52%	0.523	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.8	178.7	-62.3	179.6	-174.3	0	0	112.4	N612	N612-E614 PolarHBondContact O-N 3.3Å; N612-E614 VanDerWaalsContact O-N 3.15Å
615	D	47	Very low	70.8	Confident	12 Å²	12	44.5 Å²	44.5	6%	0.064	25%	0.254	C	S	.	.	S	Bend	trans	-79.4	132.7	177.5	-51.3	-6.7	0	0	0	109.4	S337 N612 P613 Y617	S337-D615 VanDerWaalsContact CB-CG 3.4Å; S337-D615 WeakPolarHBondContact CB-OD1 3.42Å; S337-D615 PolarHBondContact OG-OD1 3.2Å; S337-D615 PolarHBondContact OG-OD2 2.99Å; N612-D615 WeakPolarHBondContact CB-OD1 3.5Å; N612-D615 WeakPolarHBondContact CB-OD2 3.37Å; N612-D615 PolarHBondContact N-OD2 2.91Å; N612-D615 VanDerWaalsContact O-CB 3.31Å; N612-D615 WeakPolarHBondContact O-CB 3.27Å; N612-D615 VanDerWaalsContact O-CG 3.3Å; N612-D615 PolarHBondContact O-N 3.01Å; P613-D615 VanDerWaalsContact C-N 3.32Å; D615-Y617 HydrophobicContact CB-CD2 3.25Å; D615-Y617 HydrophobicContact CB-CE2 3.74Å; D615-Y617 HydrophobicContact CB-CG 4.19Å; D615-Y617 PolarHBondContact O-N 2.93Å; D615-Y617 WeakPolarHBondContact OD2-CD2 3.44Å; D615-Y617 VanDerWaalsContact OD2-CE2 3.31Å; D615-Y617 WeakPolarHBondContact OD2-CE2 3.47Å
616	N	46.1	Very low	70.8	Confident	151 Å²	151	42.3 Å²	42.3	81%	0.807	24%	0.243	S	C	*	.			trans	-75.2	37.3	175.7	-153.5	26.5	0	0	0	112.2
617	Y	51.1	Low	70.6	Confident	29 Å²	29	42.3 Å²	42.3	11%	0.114	24%	0.243	C	C	.	.	S	Bend	trans	-77.7	145.4	170.2	-75.9	-63.4	0	0	0	109.8	T336 I591 M611 D615 S619 L621	T336-Y617 VanDerWaalsContact CB-OH 3.31Å; T336-Y617 WeakPolarHBondContact CB-OH 3.43Å; T336-Y617 HydrophobicContact CG2-CD1 4.4Å; T336-Y617 HydrophobicContact CG2-CE1 3.39Å; T336-Y617 HydrophobicContact CG2-CE2 4.35Å; T336-Y617 WeakPolarHBondContact CG2-OH 3.41Å; I591-Y617 PolarHBondContact O-OH 3.23Å; M611-Y617 HydrophobicContact CE-CD1 3.86Å; M611-Y617 HydrophobicContact CE-CD2 3.43Å; M611-Y617 VanDerWaalsContact CE-CD2 3.43Å; M611-Y617 HydrophobicContact CE-CE2 4.25Å; M611-Y617 HydrophobicContact CE-CG 3.22Å; D615-Y617 HydrophobicContact CB-CD2 3.25Å; D615-Y617 HydrophobicContact CB-CE2 3.74Å; D615-Y617 HydrophobicContact CB-CG 4.19Å; D615-Y617 PolarHBondContact O-N 2.93Å; D615-Y617 WeakPolarHBondContact OD2-CD2 3.44Å; D615-Y617 VanDerWaalsContact OD2-CE2 3.31Å; D615-Y617 WeakPolarHBondContact OD2-CE2 3.47Å; Y617-S619 PolarHBondContact O-N 3.28Å; Y617-S619 VanDerWaalsContact O-N 3.13Å; Y617-L621 HydrophobicContact CD1-CD1 3.59Å; Y617-L621 HydrophobicContact CE1-CD1 4.5Å; Y617-L621 HydrophobicContact CG-CD1 4.04Å
618	P	54	Low	70.7	Confident	75 Å²	75	41.6 Å²	41.6	49%	0.487	24%	0.239	S	C	.	.			trans	-44	124	162.6	-26.8	27.5	0	0	0	110.5	D620 L621	P618-D620 WeakPolarHBondContact CB-OD1 3.48Å; P618-D620 PolarHBondContact O-N 2.72Å; P618-L621 HydrophobicContact CB-CD1 4.14Å; P618-L621 HydrophobicContact CB-CG 4.28Å; P618-L621 HydrophobicContact CG-CD1 3.9Å; P618-L621 HydrophobicContact CG-CG 4.41Å; P618-L621 PolarHBondContact O-N 3.24Å; P618-L621 VanDerWaalsContact O-N 3.09Å
619	S	52.3	Low	70.8	Confident	112 Å²	112	45 Å²	45	78%	0.783	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-5	-171.2	-40.2	0	0	0	0	114.1	Y617	Y617-S619 PolarHBondContact O-N 3.28Å; Y617-S619 VanDerWaalsContact O-N 3.13Å
620	D	62.3	Low	71.2	Confident	61 Å²	61	46.2 Å²	46.2	33%	0.326	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	5.6	-174.3	64.3	-19.7	0	0	0	114	P618 G622 M623	P618-D620 WeakPolarHBondContact CB-OD1 3.48Å; P618-D620 PolarHBondContact O-N 2.72Å; D620-G622 VanDerWaalsContact C-N 3.33Å; D620-G622 PolarHBondContact O-N 2.74Å; D620-M623 HydrophobicContact CB-CB 4.41Å; D620-M623 WeakPolarHBondContact O-CA 3.2Å; D620-M623 WeakPolarHBondContact O-CB 3.35Å; D620-M623 PolarHBondContact O-N 3.35Å
621	L	73.8	Confident	71.8	Confident	23 Å²	23	45.8 Å²	45.8	12%	0.12	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.3	-177.5	-105.6	158.4	0	0	0	113.8	H539 L543 I591 M611 Y617 P618 M623	H539-L621 PolarHBondContact NE2-O 3.07Å; L543-L621 WeakPolarHBondContact CD1-O 3.5Å; L543-L621 HydrophobicContact CD2-CD2 3.77Å; I591-L621 HydrophobicContact CD1-CD2 4.49Å; M611-L621 HydrophobicContact CE-CB 3.32Å; M611-L621 HydrophobicContact CE-CD1 3.64Å; M611-L621 HydrophobicContact CE-CG 4.1Å; M611-L621 HydrophobicContact SD-CB 3.47Å; M611-L621 WeakPolarHBondContact SD-CB 3.43Å; Y617-L621 HydrophobicContact CD1-CD1 3.59Å; Y617-L621 HydrophobicContact CE1-CD1 4.5Å; Y617-L621 HydrophobicContact CG-CD1 4.04Å; P618-L621 HydrophobicContact CB-CD1 4.14Å; P618-L621 HydrophobicContact CB-CG 4.28Å; P618-L621 HydrophobicContact CG-CD1 3.9Å; P618-L621 HydrophobicContact CG-CG 4.41Å; P618-L621 PolarHBondContact O-N 3.24Å; P618-L621 VanDerWaalsContact O-N 3.09Å; L621-M623 VanDerWaalsContact C-N 3.31Å
622	G	80	Confident	72.8	Confident	8 Å²	8	49.6 Å²	49.6	8%	0.082	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.5	172.3	0	0	0	0	0	114.6	L581 D620	L581-G622 PolarHBondContact N-O 2.97Å; L581-G622 VanDerWaalsContact N-O 3.08Å; D620-G622 VanDerWaalsContact C-N 3.33Å; D620-G622 PolarHBondContact O-N 2.74Å
623	M	85.6	Confident	74.1	Confident	23 Å²	23	52 Å²	52	11%	0.113	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-101.2	166	-178.8	-57.7	-64.1	-74.8	0	0	110.3	G579 K580 D620 L621 P625 Q639	G579-M623 VanDerWaalsContact C-CE 3.47Å; K580-M623 HydrophobicContact CB-SD 4.35Å; K580-M623 HydrophobicContact CG-CE 4.39Å; K580-M623 HydrophobicContact CG-SD 3.74Å; D620-M623 HydrophobicContact CB-CB 4.41Å; D620-M623 WeakPolarHBondContact O-CA 3.2Å; D620-M623 WeakPolarHBondContact O-CB 3.35Å; D620-M623 PolarHBondContact O-N 3.35Å; L621-M623 VanDerWaalsContact C-N 3.31Å; M623-P625 WeakPolarHBondContact O-CD 3.38Å; M623-Q639 HydrophobicContact CE-CG 3.69Å
624	V	90.4	Very high	75.9	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.018	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.9	125.7	167.7	176.6	0	0	0	0	108.6	R536 S577 G579 L581 T628 C636	R536-V624 HydrophobicContact CG-CG1 3.93Å; R536-V624 HydrophobicContact CG-CG2 4.16Å; S577-V624 WeakPolarHBondContact O-CG1 3.31Å; S577-V624 WeakPolarHBondContact O-CG2 3.38Å; G579-V624 WeakPolarHBondContact O-CG2 3.22Å; G579-V624 PolarHBondContact O-N 3.09Å; L581-V624 HydrophobicContact CB-CG2 4.18Å; L581-V624 HydrophobicContact CD1-CG2 4Å; V624-T628 HydrophobicContact CG1-CG2 3.83Å; V624-C636 HydrophobicContact CG1-CB 4.37Å
625	P	86.7	Confident	78.1	Confident	16 Å²	16	43.4 Å²	43.4	10%	0.104	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-59.8	144.9	-176.8	-26.3	35	0	0	0	112.9	P534 H539 M623 G627 T628	P534-P625 HydrophobicContact CB-CB 4.13Å; H539-P625 HydrophobicContact CB-CG 3.94Å; H539-P625 VanDerWaalsContact CG-CG 3.48Å; H539-P625 WeakPolarHBondContact ND1-CG 3.42Å; M623-P625 WeakPolarHBondContact O-CD 3.38Å; P625-G627 PolarHBondContact O-N 2.95Å; P625-T628 VanDerWaalsContact O-CB 3.27Å; P625-T628 WeakPolarHBondContact O-CB 3.47Å; P625-T628 PolarHBondContact O-N 2.69Å; P625-T628 PolarHBondContact O-OG1 3.14Å
626	T	86.9	Confident	80.2	Confident	23 Å²	23	43 Å²	43	14%	0.141	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	137.8	172.2	-60.1	0	0	0	0	110.3	Y529 T628 C636 Y637	Y529-T626 HydrophobicContact CD1-CG2 4.29Å; Y529-T626 VanDerWaalsContact CD1-O 3.28Å; Y529-T626 WeakPolarHBondContact CD1-O 3.43Å; Y529-T626 HydrophobicContact CE1-CG2 3.63Å; Y529-T626 HydrophobicContact CE2-CG2 3.94Å; Y529-T626 VanDerWaalsContact CZ-CG2 3.42Å; Y529-T626 WeakPolarHBondContact OH-CG2 3.07Å; T626-T628 VanDerWaalsContact C-N 3.33Å; T626-C636 CarbonylContact C-O 3.36Å; T626-C636 WeakPolarHBondContact CA-O 3.44Å; T626-Y637 HydrophobicContact CG2-CD2 3.57Å; T626-Y637 HydrophobicContact CG2-CE2 4.08Å; T626-Y637 HydrophobicContact CG2-CG 4.48Å
627	G	87.8	Confident	82.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-5.7	-175.7	0	0	0	0	0	115.7	P625 R629 C636 Y650	P625-G627 PolarHBondContact O-N 2.95Å; G627-R629 PolarHBondContact O-N 3.47Å; G627-C636 PolarHBondContact N-O 3.23Å; G627-Y650 WeakPolarHBondContact CA-OH 3.49Å
628	T	93	Very high	83.8	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.018	23%	0.233	C	C	.	.			trans	-61.2	133.5	174.8	-58.7	0	0	0	0	110.7	R536 V624 P625 T626 C630 V635 C636	R536-T628 HydrophobicContact CG-CG2 3.89Å; V624-T628 HydrophobicContact CG1-CG2 3.83Å; P625-T628 VanDerWaalsContact O-CB 3.27Å; P625-T628 WeakPolarHBondContact O-CB 3.47Å; P625-T628 PolarHBondContact O-N 2.69Å; P625-T628 PolarHBondContact O-OG1 3.14Å; T626-T628 VanDerWaalsContact C-N 3.33Å; T628-C630 PolarHBondContact O-N 2.97Å; T628-V635 CarbonylContact O-C 3.54Å; T628-V635 WeakPolarHBondContact O-CA 3.24Å; T628-C636 PolarHBondContact O-N 2.8Å; T628-C636 PolarHBondContact O-SG 2.72Å
629	R	93.6	Very high	85.2	Confident	85 Å²	85	39.8 Å²	39.8	32%	0.321	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	126.2	176.7	-176.9	-179.7	-175.8	-170.3	8.4	111.2	G524 R525 Y527 G627 G631	G524-R629 PolarHBondContact O-NH1 3.1Å; R525-R629 WeakPolarHBondContact O-CD 3.26Å; Y527-R629 HydrophobicContact CD2-CB 4.12Å; Y527-R629 HydrophobicContact CD2-CG 4.12Å; Y527-R629 HydrophobicContact CE2-CB 4.39Å; Y527-R629 HydrophobicContact CE2-CG 3.88Å; G627-R629 PolarHBondContact O-N 3.47Å; R629-G631 WeakPolarHBondContact CG-O 3.46Å; R629-G631 PolarHBondContact NE-O 3.49Å; R629-G631 VanDerWaalsContact NE-O 3.14Å
630	C	92.9	Very high	87	Confident	28 Å²	28	39 Å²	39	19%	0.189	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-11.9	176	61.7	0	0	0	0	113.7	S577 C578 T628 M634 C641	S577-C630 VanDerWaalsContact OG-CB 3.26Å; S577-C630 WeakPolarHBondContact OG-CB 3.03Å; C578-C630 WeakPolarHBondContact SG-CB 3.23Å; T628-C630 PolarHBondContact O-N 2.97Å; C630-M634 PolarHBondContact N-O 2.99Å; C630-M634 VanDerWaalsContact N-O 3.14Å; C630-C641 HydrophobicContact CB-CB 3.84Å; C630-C641 WeakPolarHBondContact CB-SG 3.1Å; C630-C641 WeakPolarHBondContact SG-CA 3.3Å; C630-C641 WeakPolarHBondContact SG-CB 3.4Å; C630-C641 CovalentContact SG-SG 2.03Å; C630-C641 PolarHBondContact SG-SG 3.45Å
631	G	91	Very high	88.4	Confident	23 Å²	23	36.3 Å²	36.3	24%	0.237	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	-168.1	177.5	0	0	0	0	0	111.7	R629 M634	R629-G631 WeakPolarHBondContact CG-O 3.46Å; R629-G631 PolarHBondContact NE-O 3.49Å; R629-G631 VanDerWaalsContact NE-O 3.14Å; G631-M634 PolarHBondContact N-O 3Å
632	N	90.1	Very high	89.3	Confident	120 Å²	120	37.9 Å²	37.9	64%	0.642	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	122.1	173.1	-167.5	29	0	0	0	109.8	M634	N632-M634 WeakPolarHBondContact O-CG 3.27Å; N632-M634 PolarHBondContact O-N 2.97Å
633	N	89.1	Confident	89.9	Confident	80 Å²	80	40.3 Å²	40.3	43%	0.428	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	27.5	-171	-60	-33.6	0	0	0	114.1	Y527 I644	Y527-N633 VanDerWaalsContact OH-CA 3.3Å; Y527-N633 WeakPolarHBondContact OH-CA 2.83Å; Y527-N633 PolarHBondContact OH-N 3.43Å; Y527-N633 PolarHBondContact OH-OD1 3.35Å; N633-I644 WeakPolarHBondContact O-CG1 3.38Å; N633-I644 PolarHBondContact O-N 3.44Å
634	M	91.9	Very high	90.1	Very high	37 Å²	37	40.3 Å²	40.3	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.2	-177.7	-62.4	174.2	76.4	0	0	111.6	C630 G631 N632 C641 E642	C630-M634 PolarHBondContact N-O 2.99Å; C630-M634 VanDerWaalsContact N-O 3.14Å; G631-M634 PolarHBondContact N-O 3Å; N632-M634 WeakPolarHBondContact O-CG 3.27Å; N632-M634 PolarHBondContact O-N 2.97Å; M634-C641 HydrophobicContact CE-CB 4.31Å; M634-C641 WeakPolarHBondContact CE-O 3.43Å; M634-C641 WeakPolarHBondContact CE-SG 3.28Å; M634-E642 CarbonylContact C-O 3.54Å; M634-E642 WeakPolarHBondContact CA-O 3.4Å; M634-E642 WeakPolarHBondContact CB-O 3.17Å
635	V	93.8	Very high	89.8	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.5	-175.8	-68.2	0	0	0	0	110.9	Y527 T628 Y637 E642 I644 I647 Y650	Y527-V635 HydrophobicContact CD2-CG1 3.62Å; Y527-V635 HydrophobicContact CE2-CG1 4.47Å; Y527-V635 HydrophobicContact CG-CG1 4.08Å; T628-V635 CarbonylContact O-C 3.54Å; T628-V635 WeakPolarHBondContact O-CA 3.24Å; V635-Y637 PolarHBondContact O-N 3.23Å; V635-E642 PolarHBondContact N-O 2.93Å; V635-E642 PolarHBondContact O-N 3.01Å; V635-I644 HydrophobicContact CB-CG1 4.43Å; V635-I644 HydrophobicContact CG1-CD1 3.96Å; V635-I644 HydrophobicContact CG1-CG1 3.8Å; V635-I644 HydrophobicContact CG2-CG1 3.89Å; V635-I647 HydrophobicContact CG2-CD1 3.58Å; V635-Y650 HydrophobicContact CG1-CE1 4.37Å; V635-Y650 HydrophobicContact CG2-CE1 4.22Å; V635-Y650 HydrophobicContact CG2-CE2 3.95Å
636	C	92	Very high	89.7	Confident	2 Å²	2	52 Å²	52	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	116.7	170.9	-63.6	0	0	0	0	109.9	S577 C578 V624 T626 G627 T628 K640	S577-C636 PolarHBondContact O-SG 3.45Å; C578-C636 WeakPolarHBondContact CA-SG 3.03Å; C578-C636 HydrophobicContact CB-CB 3.56Å; C578-C636 WeakPolarHBondContact CB-SG 3.23Å; C578-C636 WeakPolarHBondContact SG-CA 3.48Å; C578-C636 WeakPolarHBondContact SG-CB 3.36Å; C578-C636 CovalentContact SG-SG 2.04Å; C578-C636 PolarHBondContact SG-SG 2.04Å; V624-C636 HydrophobicContact CG1-CB 4.37Å; T626-C636 CarbonylContact C-O 3.36Å; T626-C636 WeakPolarHBondContact CA-O 3.44Å; G627-C636 PolarHBondContact N-O 3.23Å; T628-C636 PolarHBondContact O-N 2.8Å; T628-C636 PolarHBondContact O-SG 2.72Å; C636-K640 CarbonylContact C-O 3.56Å; C636-K640 WeakPolarHBondContact CA-O 3.42Å
637	Y	88.5	Confident	89.5	Confident	55 Å²	55	51.4 Å²	51.4	22%	0.216	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	127.4	176.1	-166	-100.6	0	0	0	109.1	Y529 T626 V635 Q639 K640 I647 A649 Y650	Y529-Y637 HydrophobicContact CE2-CE2 4.5Å; T626-Y637 HydrophobicContact CG2-CD2 3.57Å; T626-Y637 HydrophobicContact CG2-CE2 4.08Å; T626-Y637 HydrophobicContact CG2-CG 4.48Å; V635-Y637 PolarHBondContact O-N 3.23Å; Y637-Q639 PolarHBondContact O-N 3.34Å; Y637-Q639 VanDerWaalsContact O-N 3.16Å; Y637-K640 PolarHBondContact N-O 3.46Å; Y637-K640 PolarHBondContact O-N 2.71Å; Y637-I647 HydrophobicContact CD1-CD1 4.38Å; Y637-I647 HydrophobicContact CD1-CG1 4.25Å; Y637-I647 HydrophobicContact CD1-CG2 3.85Å; Y637-I647 HydrophobicContact CD2-CD1 4.36Å; Y637-I647 HydrophobicContact CD2-CG2 3.91Å; Y637-I647 HydrophobicContact CE1-CG2 3.75Å; Y637-I647 HydrophobicContact CE2-CG2 3.81Å; Y637-I647 HydrophobicContact CG-CD1 3.88Å; Y637-I647 HydrophobicContact CG-CG1 4.25Å; Y637-I647 HydrophobicContact CG-CG2 3.94Å; Y637-A649 HydrophobicContact CE2-CB 4.23Å; Y637-Y650 HydrophobicContact CD2-CE2 4.4Å
638	N	83.3	Confident	89.1	Confident	89 Å²	89	61.3 Å²	61.3	48%	0.476	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	42.1	-173.3	-67.5	-29.5	0	0	0	113.5	K640	N638-K640 PolarHBondContact O-N 3.38Å
639	Q	85.1	Confident	88.2	Confident	45 Å²	45	63.1 Å²	63.1	21%	0.21	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	24	-179.2	-56.1	75.1	58.5	0	0	114.6	C562 C578 M623 Y637	C562-Q639 PolarHBondContact SG-O 3.25Å; C562-Q639 VanDerWaalsContact SG-O 3.4Å; C578-Q639 VanDerWaalsContact O-CA 3.32Å; C578-Q639 WeakPolarHBondContact O-CA 3.46Å; M623-Q639 HydrophobicContact CE-CG 3.69Å; Y637-Q639 PolarHBondContact O-N 3.34Å; Y637-Q639 VanDerWaalsContact O-N 3.16Å
640	K	89.2	Confident	87.3	Confident	95 Å²	95	59.4 Å²	59.4	41%	0.413	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.4	172.7	-66.9	-176.6	178.6	-177.5	0	110.8	D575 C636 Y637 N638 E642	D575-K640 WeakPolarHBondContact OD1-CA 2.99Å; C636-K640 CarbonylContact C-O 3.56Å; C636-K640 WeakPolarHBondContact CA-O 3.42Å; Y637-K640 PolarHBondContact N-O 3.46Å; Y637-K640 PolarHBondContact O-N 2.71Å; N638-K640 PolarHBondContact O-N 3.38Å; K640-E642 HydrophobicContact CB-CG 3.97Å; K640-E642 PolarHBondContact O-N 3.38Å
641	C	92.6	Very high	86	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.034	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	96.8	173.9	-172.9	0	0	0	0	109.8	R574 D575 C630 M634	R574-C641 HydrophobicContact CG-CB 4.24Å; R574-C641 PolarHBondContact NE-O 2.88Å; R574-C641 PolarHBondContact NH2-O 3.12Å; R574-C641 WeakPolarHBondContact O-CB 3.34Å; D575-C641 PolarHBondContact OD1-N 3.06Å; C630-C641 HydrophobicContact CB-CB 3.84Å; C630-C641 WeakPolarHBondContact CB-SG 3.1Å; C630-C641 WeakPolarHBondContact SG-CA 3.3Å; C630-C641 WeakPolarHBondContact SG-CB 3.4Å; C630-C641 CovalentContact SG-SG 2.03Å; C630-C641 PolarHBondContact SG-SG 3.45Å; M634-C641 HydrophobicContact CE-CB 4.31Å; M634-C641 WeakPolarHBondContact CE-O 3.43Å; M634-C641 WeakPolarHBondContact CE-SG 3.28Å
642	E	92.4	Very high	84.7	Confident	55 Å²	55	63.8 Å²	63.8	26%	0.257	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	153.4	-173.1	-68.6	-169.3	173	0	0	111.7	M634 V635 K640 I647	M634-E642 CarbonylContact C-O 3.54Å; M634-E642 WeakPolarHBondContact CA-O 3.4Å; M634-E642 WeakPolarHBondContact CB-O 3.17Å; V635-E642 PolarHBondContact N-O 2.93Å; V635-E642 PolarHBondContact O-N 3.01Å; K640-E642 HydrophobicContact CB-CG 3.97Å; K640-E642 PolarHBondContact O-N 3.38Å; E642-I647 HydrophobicContact CB-CD1 3.97Å; E642-I647 HydrophobicContact CB-CG1 4.16Å
643	D	91.9	Very high	83.4	Confident	59 Å²	59	64 Å²	64	32%	0.316	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.5	175.8	-171.2	-63.1	0	0	0	109	K645 S646	D643-K645 PolarHBondContact O-N 3.04Å; D643-K645 VanDerWaalsContact O-N 3.13Å; D643-K645 VanDerWaalsContact OD1-CB 3.31Å; D643-K645 WeakPolarHBondContact OD1-CB 3.47Å; D643-K645 PolarHBondContact OD1-N 2.02Å; D643-S646 WeakPolarHBondContact O-CB 3.02Å; D643-S646 PolarHBondContact O-N 3.22Å; D643-S646 PolarHBondContact O-OG 3.41Å
644	I	89.3	Confident	82.5	Confident	24 Å²	24	64.7 Å²	64.7	12%	0.123	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-52.7	-37.9	-178.9	-69.4	169.5	0	0	0	111.4	Y527 N633 V635 S646 I647 Y650	Y527-I644 HydrophobicContact CD1-CD1 3.72Å; Y527-I644 HydrophobicContact CD2-CD1 3.82Å; Y527-I644 HydrophobicContact CE1-CD1 3.72Å; Y527-I644 HydrophobicContact CE2-CD1 3.84Å; Y527-I644 HydrophobicContact CG-CD1 3.75Å; N633-I644 WeakPolarHBondContact O-CG1 3.38Å; N633-I644 PolarHBondContact O-N 3.44Å; V635-I644 HydrophobicContact CB-CG1 4.43Å; V635-I644 HydrophobicContact CG1-CD1 3.96Å; V635-I644 HydrophobicContact CG1-CG1 3.8Å; V635-I644 HydrophobicContact CG2-CG1 3.89Å; I644-S646 PolarHBondContact O-N 3Å; I644-I647 PolarHBondContact O-N 3.39Å; I644-Y650 HydrophobicContact CB-CD1 4.49Å; I644-Y650 HydrophobicContact CG1-CD1 4.39Å; I644-Y650 HydrophobicContact CG2-CD1 3.59Å; I644-Y650 HydrophobicContact CG2-CE1 4.46Å; I644-Y650 HydrophobicContact CG2-CG 3.84Å
645	K	85.1	Confident	81.8	Confident	186 Å²	186	63.6 Å²	63.6	81%	0.809	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-69.4	-21.9	-179.3	-62.2	-179.2	178.2	-179.2	0	113.5	D643 I647	D643-K645 PolarHBondContact O-N 3.04Å; D643-K645 VanDerWaalsContact O-N 3.13Å; D643-K645 VanDerWaalsContact OD1-CB 3.31Å; D643-K645 WeakPolarHBondContact OD1-CB 3.47Å; D643-K645 PolarHBondContact OD1-N 2.02Å; K645-I647 VanDerWaalsContact C-N 3.34Å
646	S	84.4	Confident	81.1	Confident	79 Å²	79	66.2 Å²	66.2	55%	0.552	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-83.3	-12.6	-179.8	68.1	0	0	0	0	113.1	D643 I644	D643-S646 WeakPolarHBondContact O-CB 3.02Å; D643-S646 PolarHBondContact O-N 3.22Å; D643-S646 PolarHBondContact O-OG 3.41Å; I644-S646 PolarHBondContact O-N 3Å
647	I	82.9	Confident	80.7	Confident	9 Å²	9	70.4 Å²	70.4	5%	0.046	39%	0.385	C	S	.	.			trans	-103.1	116.7	-174.1	-54.3	161.1	0	0	0	109.8	V635 Y637 E642 I644 K645 A649 Y650	V635-I647 HydrophobicContact CG2-CD1 3.58Å; Y637-I647 HydrophobicContact CD1-CD1 4.38Å; Y637-I647 HydrophobicContact CD1-CG1 4.25Å; Y637-I647 HydrophobicContact CD1-CG2 3.85Å; Y637-I647 HydrophobicContact CD2-CD1 4.36Å; Y637-I647 HydrophobicContact CD2-CG2 3.91Å; Y637-I647 HydrophobicContact CE1-CG2 3.75Å; Y637-I647 HydrophobicContact CE2-CG2 3.81Å; Y637-I647 HydrophobicContact CG-CD1 3.88Å; Y637-I647 HydrophobicContact CG-CG1 4.25Å; Y637-I647 HydrophobicContact CG-CG2 3.94Å; E642-I647 HydrophobicContact CB-CD1 3.97Å; E642-I647 HydrophobicContact CB-CG1 4.16Å; I644-I647 PolarHBondContact O-N 3.39Å; K645-I647 VanDerWaalsContact C-N 3.34Å; I647-A649 HydrophobicContact CG2-CB 3.98Å; I647-A649 PolarHBondContact O-N 3.22Å; I647-A649 VanDerWaalsContact O-N 3.13Å; I647-Y650 HydrophobicContact CB-CD2 3.77Å; I647-Y650 HydrophobicContact CB-CE2 4.45Å; I647-Y650 HydrophobicContact CD1-CD2 4.06Å; I647-Y650 HydrophobicContact CD1-CE2 4.02Å; I647-Y650 HydrophobicContact CG2-CD2 3.65Å; I647-Y650 HydrophobicContact CG2-CE2 4.13Å; I647-Y650 PolarHBondContact O-N 2.95Å; I647-Y650 VanDerWaalsContact O-N 3.07Å
648	K	78.8	Confident	80.5	Confident	208 Å²	208	73.2 Å²	73.2	90%	0.904	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-55.7	-33.4	179.3	-67.4	-174.8	179.2	-177	0	113.7	Y650 G651	K648-Y650 PolarHBondContact O-N 3.44Å; K648-Y650 VanDerWaalsContact O-N 3.13Å; K648-G651 PolarHBondContact O-N 3.15Å
649	A	73.9	Confident	80.7	Confident	41 Å²	41	69 Å²	69	34%	0.339	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-65	-11.5	-179.6	0	0	0	0	0	114.5	N517 Y637 I647	N517-A649 WeakPolarHBondContact CB-O 3.25Å; N517-A649 PolarHBondContact ND2-O 2.03Å; Y637-A649 HydrophobicContact CE2-CB 4.23Å; I647-A649 HydrophobicContact CG2-CB 3.98Å; I647-A649 PolarHBondContact O-N 3.22Å; I647-A649 VanDerWaalsContact O-N 3.13Å
650	Y	75.2	Confident	80.9	Confident	8 Å²	8	70.6 Å²	70.6	3%	0.031	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-96	-0.3	178.9	-77.6	-100.2	0	0	0	113.7	N517 Y529 G627 V635 Y637 I644 I647 K648	N517-Y650 HydrophobicContact CB-CD1 3.74Å; N517-Y650 HydrophobicContact CB-CE1 3.96Å; N517-Y650 HydrophobicContact CB-CG 4.07Å; Y529-Y650 HydrophobicContact CD2-CE2 4.01Å; Y529-Y650 AromaticContact CD2-CZ 3.67Å; Y529-Y650 WeakPolarHBondContact CD2-OH 3.48Å; Y529-Y650 HydrophobicContact CE2-CE2 4.13Å; G627-Y650 WeakPolarHBondContact CA-OH 3.49Å; V635-Y650 HydrophobicContact CG1-CE1 4.37Å; V635-Y650 HydrophobicContact CG2-CE1 4.22Å; V635-Y650 HydrophobicContact CG2-CE2 3.95Å; Y637-Y650 HydrophobicContact CD2-CE2 4.4Å; I644-Y650 HydrophobicContact CB-CD1 4.49Å; I644-Y650 HydrophobicContact CG1-CD1 4.39Å; I644-Y650 HydrophobicContact CG2-CD1 3.59Å; I644-Y650 HydrophobicContact CG2-CE1 4.46Å; I644-Y650 HydrophobicContact CG2-CG 3.84Å; I647-Y650 HydrophobicContact CB-CD2 3.77Å; I647-Y650 HydrophobicContact CB-CE2 4.45Å; I647-Y650 HydrophobicContact CD1-CD2 4.06Å; I647-Y650 HydrophobicContact CD1-CE2 4.02Å; I647-Y650 HydrophobicContact CG2-CD2 3.65Å; I647-Y650 HydrophobicContact CG2-CE2 4.13Å; I647-Y650 PolarHBondContact O-N 2.95Å; I647-Y650 VanDerWaalsContact O-N 3.07Å; K648-Y650 PolarHBondContact O-N 3.44Å; K648-Y650 VanDerWaalsContact O-N 3.13Å
651	G	65.9	Low	80.8	Confident	46 Å²	46	73.4 Å²	73.4	47%	0.474	41%	0.405	S	S	.	.			trans	65.7	167.8	176.4	0	0	0	0	0	113.9	K648	K648-G651 PolarHBondContact O-N 3.15Å
652	T	62.6	Low	80.6	Confident	96 Å²	96	76.4 Å²	76.4	59%	0.589	42%	0.418	S	S	*	.			trans	-92.1	149.1	166.9	59.2	0	0	0	0	109.3	D654	T652-D654 WeakPolarHBondContact CB-OD2 2.94Å; T652-D654 PolarHBondContact O-N 3.4Å; T652-D654 PolarHBondContact OG1-OD2 3.14Å
653	N	62.8	Low	80.4	Confident	126 Å²	126	74.5 Å²	74.5	67%	0.674	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	1.9	-179	-79.5	-17.2	0	0	0	114.5	C655	N653-C655 VanDerWaalsContact C-N 3.26Å; N653-C655 PolarHBondContact O-N 2.98Å
654	D	71.1	Confident	80.3	Confident	93 Å²	93	73.2 Å²	73.2	50%	0.497	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.2	-173.7	-54.7	-36.2	0	0	0	113.6	T652 S657 K658	T652-D654 WeakPolarHBondContact CB-OD2 2.94Å; T652-D654 PolarHBondContact O-N 3.4Å; T652-D654 PolarHBondContact OG1-OD2 3.14Å; D654-S657 PolarHBondContact O-OG 3.48Å; D654-S657 VanDerWaalsContact O-OG 3.05Å; D654-K658 VanDerWaalsContact O-CD 3.27Å; D654-K658 WeakPolarHBondContact O-CD 3.3Å; D654-K658 VanDerWaalsContact O-CE 3.28Å; D654-K658 WeakPolarHBondContact O-CE 3.47Å; D654-K658 VanDerWaalsContact O-CG 3.25Å; D654-K658 WeakPolarHBondContact O-CG 3.28Å
655	C	77.8	Confident	80.2	Confident	15 Å²	15	72 Å²	72	10%	0.101	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-46.1	178.3	178.7	0	0	0	0	111.7	N653 S657 K658 C659 C665 S669	N653-C655 VanDerWaalsContact C-N 3.26Å; N653-C655 PolarHBondContact O-N 2.98Å; C655-S657 PolarHBondContact O-N 2.93Å; C655-K658 WeakPolarHBondContact O-CB 3.49Å; C655-K658 PolarHBondContact O-N 2.77Å; C655-C659 PolarHBondContact O-SG 2.04Å; C655-C659 VanDerWaalsContact O-SG 3.34Å; C655-C665 HydrophobicContact CB-CB 3.82Å; C655-C665 WeakPolarHBondContact CB-SG 3.3Å; C655-C665 WeakPolarHBondContact SG-CB 3.33Å; C655-C665 CovalentContact SG-SG 2.02Å; C655-C665 PolarHBondContact SG-SG 3.49Å; C655-S669 PolarHBondContact SG-O 3.31Å; C655-S669 VanDerWaalsContact SG-O 3.41Å
656	S	78.8	Confident	80.2	Confident	55 Å²	55	63.8 Å²	63.8	39%	0.385	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-63.5	-30.8	-176.7	-67.7	0	0	0	0	112.7	Q516 K658	Q516-S656 PolarHBondContact NE2-OG 2.81Å; S656-K658 VanDerWaalsContact C-N 3.28Å; S656-K658 PolarHBondContact O-N 2.03Å
657	S	82.4	Confident	80	Confident	90 Å²	90	63.5 Å²	63.5	63%	0.629	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-71.4	-19.9	175	56.3	0	0	0	0	113.7	D654 C655	D654-S657 PolarHBondContact O-OG 3.48Å; D654-S657 VanDerWaalsContact O-OG 3.05Å; C655-S657 PolarHBondContact O-N 2.93Å
658	K	85	Confident	80	Confident	114 Å²	114	67.7 Å²	67.7	50%	0.496	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-87.5	-7.2	-179	-67.4	171.3	-173.4	177.4	0	113.8	D654 C655 S656 N660 F681	D654-K658 VanDerWaalsContact O-CD 3.27Å; D654-K658 WeakPolarHBondContact O-CD 3.3Å; D654-K658 VanDerWaalsContact O-CE 3.28Å; D654-K658 WeakPolarHBondContact O-CE 3.47Å; D654-K658 VanDerWaalsContact O-CG 3.25Å; D654-K658 WeakPolarHBondContact O-CG 3.28Å; C655-K658 WeakPolarHBondContact O-CB 3.49Å; C655-K658 PolarHBondContact O-N 2.77Å; S656-K658 VanDerWaalsContact C-N 3.28Å; S656-K658 PolarHBondContact O-N 2.03Å; K658-N660 VanDerWaalsContact C-N 3.29Å; K658-N660 PolarHBondContact O-N 3.47Å; K658-N660 PolarHBondContact O-ND2 2.87Å; K658-F681 HydrophobicContact CB-CD1 4.19Å; K658-F681 VanDerWaalsContact O-O 3.1Å
659	C	88.1	Confident	80.1	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.007	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-89.4	11.8	-176.7	-51.4	0	0	0	0	114	C655 N661 H662 C671 F681	C655-C659 PolarHBondContact O-SG 2.04Å; C655-C659 VanDerWaalsContact O-SG 3.34Å; C659-N661 PolarHBondContact O-N 3.09Å; C659-H662 PolarHBondContact O-N 3.1Å; C659-C671 WeakPolarHBondContact CA-SG 3.49Å; C659-C671 HydrophobicContact CB-CB 3.7Å; C659-C671 WeakPolarHBondContact CB-SG 3.01Å; C659-C671 PolarHBondContact N-SG 3.44Å; C659-C671 VanDerWaalsContact SG-CA 3.51Å; C659-C671 WeakPolarHBondContact SG-CB 3.3Å; C659-C671 CovalentContact SG-SG 2.04Å; C659-C671 PolarHBondContact SG-SG 3.05Å; C659-F681 CarbonylContact C-O 3.53Å; C659-F681 WeakPolarHBondContact CA-O 3.32Å
660	N	87.9	Confident	80.8	Confident	78 Å²	78	65.6 Å²	65.6	42%	0.417	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	28.3	174.5	-66.7	-77.6	0	0	0	115.3	K658 H662 F681	K658-N660 VanDerWaalsContact C-N 3.29Å; K658-N660 PolarHBondContact O-N 3.47Å; K658-N660 PolarHBondContact O-ND2 2.87Å; N660-H662 PolarHBondContact O-CD2 3.4Å; N660-H662 PolarHBondContact O-N 3.32Å; N660-H662 VanDerWaalsContact O-N 3.12Å; N660-F681 PolarHBondContact ND2-O 3.32Å
661	N	87.4	Confident	81.5	Confident	154 Å²	154	65.8 Å²	65.8	82%	0.824	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	13.6	-174.3	-55.3	-50.8	0	0	0	115.7	C659	C659-N661 PolarHBondContact O-N 3.09Å
662	H	89.1	Confident	82.6	Confident	67 Å²	67	65.4 Å²	65.4	31%	0.31	36%	0.357	S	S	.	.	S	Bend	trans	-116	28	177	-64.2	-56.2	0	0	0	111.4	C659 N660 C673 D674 W677 C682	C659-H662 PolarHBondContact O-N 3.1Å; N660-H662 PolarHBondContact O-CD2 3.4Å; N660-H662 PolarHBondContact O-N 3.32Å; N660-H662 VanDerWaalsContact O-N 3.12Å; H662-C673 CarbonylContact O-C 3.6Å; H662-C673 WeakPolarHBondContact O-CA 3.18Å; H662-D674 WeakPolarHBondContact CA-OD2 3.46Å; H662-D674 PolarHBondContact O-N 3.13Å; H662-W677 HydrophobicContact CB-CB 4.38Å; H662-W677 HydrophobicContact CB-CD2 3.6Å; H662-W677 HydrophobicContact CB-CE3 4.13Å; H662-W677 HydrophobicContact CB-CG 3.7Å; H662-W677 HydrophobicContact CB-CZ2 4.36Å; H662-W677 AromaticContact CD2-CD2 3.97Å; H662-W677 AromaticContact CD2-CE2 3.68Å; H662-W677 AromaticContact CD2-CE3 3.95Å; H662-W677 AromaticContact CD2-CH2 3.35Å; H662-W677 WeakPolarHBondContact CD2-CH2 3.16Å; H662-W677 AromaticContact CD2-CZ2 3.38Å; H662-W677 WeakPolarHBondContact CD2-CZ2 3.13Å; H662-W677 AromaticContact CD2-CZ3 3.65Å; H662-W677 AromaticContact CE1-CE2 3.89Å; H662-W677 AromaticContact CE1-CH2 3.96Å; H662-W677 AromaticContact CE1-CZ2 3.39Å; H662-W677 WeakPolarHBondContact CE1-CZ2 3.19Å; H662-W677 AromaticContact CG-CD2 3.68Å; H662-W677 AromaticContact CG-CE2 3.35Å; H662-W677 AromaticContact CG-CH2 3.94Å; H662-W677 AromaticContact CG-CZ2 3.51Å; H662-W677 AromaticContact CG-NE1 3.72Å; H662-W677 AromaticContact ND1-CE2 3.5Å; H662-W677 AromaticContact ND1-CZ2 3.51Å; H662-W677 AromaticContact ND1-NE1 3.6Å; H662-W677 AromaticContact NE2-CH2 3.39Å; H662-W677 WeakPolarHBondContact NE2-CH2 3.42Å; H662-W677 AromaticContact NE2-CZ2 3.32Å; H662-W677 VanDerWaalsContact NE2-CZ2 3.32Å; H662-W677 WeakPolarHBondContact NE2-CZ2 3.32Å; H662-C682 HydrophobicContact CB-CB 3.97Å; H662-C682 WeakPolarHBondContact O-CB 3.28Å
663	G	87.9	Confident	83.9	Confident	15 Å²	15	61.6 Å²	61.6	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	169.7	-179.7	0	0	0	0	0	112.1	H672	G663-H672 CarbonylContact C-O 3.32Å; G663-H672 WeakPolarHBondContact CA-O 3.11Å
664	V	89.4	Confident	84.9	Confident	32 Å²	32	58.9 Å²	58.9	19%	0.194	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.1	179.9	176.4	0	0	0	0	108.8	L498 T515 N666 H672	L498-V664 HydrophobicContact CD2-CB 4.05Å; L498-V664 HydrophobicContact CD2-CG1 3.97Å; L498-V664 HydrophobicContact CD2-CG2 4.5Å; T515-V664 HydrophobicContact CG2-CG1 4.17Å; V664-N666 PolarHBondContact O-N 2.79Å; V664-H672 PolarHBondContact N-O 3.32Å; V664-H672 WeakPolarHBondContact O-CA 3.32Å; V664-H672 VanDerWaalsContact O-CB 3.3Å; V664-H672 WeakPolarHBondContact O-CB 3.28Å; V664-H672 PolarHBondContact O-N 2.99Å
665	C	88.3	Confident	85.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	123.3	171.5	-172.1	0	0	0	0	110.9	Q516 C655 K670	Q516-C665 HydrophobicContact CG-CB 4.34Å; Q516-C665 PolarHBondContact N-O 2.95Å; Q516-C665 VanDerWaalsContact OE1-CB 3.25Å; Q516-C665 PolarHBondContact OE1-SG 3.42Å; C655-C665 HydrophobicContact CB-CB 3.82Å; C655-C665 WeakPolarHBondContact CB-SG 3.3Å; C655-C665 WeakPolarHBondContact SG-CB 3.33Å; C655-C665 CovalentContact SG-SG 2.02Å; C655-C665 PolarHBondContact SG-SG 3.49Å; C665-K670 WeakPolarHBondContact CA-O 3.48Å
666	N	85.4	Confident	85.5	Confident	13 Å²	13	58.7 Å²	58.7	7%	0.07	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-88.3	176.1	176.7	72.4	13.9	0	0	0	111.7	L498 F514 V664 E668 S669 K670 H672	L498-N666 HydrophobicContact CD1-CB 3.8Å; F514-N666 CarbonylContact O-C 3.38Å; F514-N666 VanDerWaalsContact O-CA 3.26Å; F514-N666 WeakPolarHBondContact O-CA 3.36Å; F514-N666 WeakPolarHBondContact O-CB 3.38Å; V664-N666 PolarHBondContact O-N 2.79Å; N666-E668 PolarHBondContact O-N 3.43Å; N666-E668 WeakPolarHBondContact OD1-CB 3.04Å; N666-E668 PolarHBondContact OD1-N 3.33Å; N666-S669 PolarHBondContact O-N 3.33Å; N666-S669 PolarHBondContact OD1-N 3.36Å; N666-K670 VanDerWaalsContact CG-O 3.24Å; N666-K670 PolarHBondContact N-O 2.95Å; N666-K670 PolarHBondContact OD1-N 3.3Å; N666-K670 PolarHBondContact OD1-O 2.98Å; N666-K670 VanDerWaalsContact OD1-O 3.06Å; N666-H672 HydrophobicContact CB-CB 4.28Å
667	H	80.1	Confident	85.9	Confident	72 Å²	72	58.7 Å²	58.7	33%	0.333	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.2	179.4	69.4	-79.6	0	0	0	115.6	F514 S669	F514-H667 AromaticContact CD1-ND1 3.76Å; F514-H667 HydrophobicContact CD2-CB 3.49Å; F514-H667 VanDerWaalsContact CD2-CB 3.49Å; F514-H667 AromaticContact CD2-CG 3.89Å; F514-H667 HydrophobicContact CE1-CB 4.23Å; F514-H667 AromaticContact CE1-CD2 3.79Å; F514-H667 AromaticContact CE1-CE1 3.83Å; F514-H667 AromaticContact CE1-CG 3.66Å; F514-H667 AromaticContact CE1-ND1 3.7Å; F514-H667 AromaticContact CE1-NE2 3.9Å; F514-H667 HydrophobicContact CE2-CB 3.05Å; F514-H667 AromaticContact CE2-CG 3.46Å; F514-H667 VanDerWaalsContact CE2-CG 3.46Å; F514-H667 HydrophobicContact CG-CB 4.25Å; F514-H667 AromaticContact CG-ND1 3.95Å; F514-H667 HydrophobicContact CZ-CB 3.48Å; F514-H667 VanDerWaalsContact CZ-CB 3.48Å; F514-H667 AromaticContact CZ-CD2 3.49Å; F514-H667 VanDerWaalsContact CZ-CD2 3.49Å; F514-H667 WeakPolarHBondContact CZ-CD2 3.38Å; F514-H667 AromaticContact CZ-CG 3.33Å; F514-H667 AromaticContact CZ-ND1 3.86Å; F514-H667 PolarHBondContact N-ND1 2.98Å; F514-H667 PolarHBondContact O-N 3.12Å; H667-S669 PolarHBondContact O-N 2.95Å
668	E	81.6	Confident	86	Confident	97 Å²	97	54.7 Å²	54.7	45%	0.453	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	6.3	174.3	-56.6	-169	159.6	0	0	112.7	N666 K670	N666-E668 PolarHBondContact O-N 3.43Å; N666-E668 WeakPolarHBondContact OD1-CB 3.04Å; N666-E668 PolarHBondContact OD1-N 3.33Å; E668-K670 HydrophobicContact CB-CD 4.21Å; E668-K670 HydrophobicContact CB-CG 4.24Å; E668-K670 PolarHBondContact O-N 3.5Å; E668-K670 WeakPolarHBondContact OE2-CD 3.26Å; E668-K670 WeakPolarHBondContact OE2-CE 2.99Å; E668-K670 IonicContact OE2-NZ 3.49Å; E668-K670 PolarHBondContact OE2-NZ 3.08Å
669	S	82.4	Confident	85.9	Confident	85 Å²	85	53.8 Å²	53.8	59%	0.594	30%	0.3	S	S	*	.	S	Bend	trans	60	32.7	-172.6	-52.5	0	0	0	0	113.2	C655 N666 H667	C655-S669 PolarHBondContact SG-O 3.31Å; C655-S669 VanDerWaalsContact SG-O 3.41Å; N666-S669 PolarHBondContact O-N 3.33Å; N666-S669 PolarHBondContact OD1-N 3.36Å; H667-S669 PolarHBondContact O-N 2.95Å
670	K	87.1	Confident	85.7	Confident	121 Å²	121	57.9 Å²	57.9	53%	0.526	33%	0.327	S	S	.	.	S	Bend	trans	-113.8	153.2	174.4	-62.1	174.6	-171.7	159.7	0	110	C665 N666 E668 H672	C665-K670 WeakPolarHBondContact CA-O 3.48Å; N666-K670 VanDerWaalsContact CG-O 3.24Å; N666-K670 PolarHBondContact N-O 2.95Å; N666-K670 PolarHBondContact OD1-N 3.3Å; N666-K670 PolarHBondContact OD1-O 2.98Å; N666-K670 VanDerWaalsContact OD1-O 3.06Å; E668-K670 HydrophobicContact CB-CD 4.21Å; E668-K670 HydrophobicContact CB-CG 4.24Å; E668-K670 PolarHBondContact O-N 3.5Å; E668-K670 WeakPolarHBondContact OE2-CD 3.26Å; E668-K670 WeakPolarHBondContact OE2-CE 2.99Å; E668-K670 IonicContact OE2-NZ 3.49Å; E668-K670 PolarHBondContact OE2-NZ 3.08Å; K670-H672 PolarHBondContact O-N 3.44Å
671	C	89.8	Confident	85.8	Confident	12 Å²	12	59.5 Å²	59.5	8%	0.081	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	117.6	173.9	-63	0	0	0	0	110.6	C659 C673 P680 C682	C659-C671 WeakPolarHBondContact CA-SG 3.49Å; C659-C671 HydrophobicContact CB-CB 3.7Å; C659-C671 WeakPolarHBondContact CB-SG 3.01Å; C659-C671 PolarHBondContact N-SG 3.44Å; C659-C671 VanDerWaalsContact SG-CA 3.51Å; C659-C671 WeakPolarHBondContact SG-CB 3.3Å; C659-C671 CovalentContact SG-SG 2.04Å; C659-C671 PolarHBondContact SG-SG 3.05Å; C671-C673 PolarHBondContact O-N 3.13Å; C671-P680 WeakPolarHBondContact CB-O 3.24Å; C671-C682 WeakPolarHBondContact CB-SG 3.25Å
672	H	89.9	Confident	85.9	Confident	37 Å²	37	52.1 Å²	52.1	17%	0.171	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	97.4	167.3	-167.1	87.9	0	0	0	108.1	L498 A499 Y501 G663 V664 N666 K670	L498-H672 HydrophobicContact CD1-CB 3.77Å; A499-H672 PolarHBondContact O-CE1 2.87Å; A499-H672 PolarHBondContact O-NE2 3.19Å; Y501-H672 AromaticContact CE2-NE2 3.79Å; G663-H672 CarbonylContact C-O 3.32Å; G663-H672 WeakPolarHBondContact CA-O 3.11Å; V664-H672 PolarHBondContact N-O 3.32Å; V664-H672 WeakPolarHBondContact O-CA 3.32Å; V664-H672 VanDerWaalsContact O-CB 3.3Å; V664-H672 WeakPolarHBondContact O-CB 3.28Å; V664-H672 PolarHBondContact O-N 2.99Å; N666-H672 HydrophobicContact CB-CB 4.28Å; K670-H672 PolarHBondContact O-N 3.44Å
673	C	89.1	Confident	85.8	Confident	17 Å²	17	51.6 Å²	51.6	12%	0.115	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	149.1	-172.7	-55.9	0	0	0	0	112.4	H662 C671 W677 C682	H662-C673 CarbonylContact O-C 3.6Å; H662-C673 WeakPolarHBondContact O-CA 3.18Å; C671-C673 PolarHBondContact O-N 3.13Å; C673-W677 HydrophobicContact CB-CB 3.87Å; C673-W677 WeakPolarHBondContact CB-O 3.24Å; C673-C682 WeakPolarHBondContact CA-SG 3.46Å; C673-C682 HydrophobicContact CB-CB 3.77Å; C673-C682 WeakPolarHBondContact CB-SG 3.02Å; C673-C682 WeakPolarHBondContact SG-CA 3.5Å; C673-C682 WeakPolarHBondContact SG-CB 3.27Å; C673-C682 CovalentContact SG-SG 2.04Å; C673-C682 PolarHBondContact SG-SG 3.07Å
674	D	85.4	Confident	85.8	Confident	68 Å²	68	53.9 Å²	53.9	36%	0.364	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-65.8	155.7	169.9	-66.7	-39.3	0	0	0	110.2	H662 G676 W677	H662-D674 WeakPolarHBondContact CA-OD2 3.46Å; H662-D674 PolarHBondContact O-N 3.13Å; D674-G676 PolarHBondContact O-N 2.85Å; D674-W677 WeakPolarHBondContact O-CB 3.32Å; D674-W677 PolarHBondContact O-N 2.99Å
675	P	81.1	Confident	85.5	Confident	69 Å²	69	56.4 Å²	56.4	45%	0.448	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	130.8	180	-28.4	36.5	0	0	0	112.5	Y501	Y501-P675 HydrophobicContact CD1-CG 4.04Å; Y501-P675 HydrophobicContact CE1-CG 3.44Å; Y501-P675 VanDerWaalsContact CE1-CG 3.44Å; Y501-P675 HydrophobicContact CE2-CG 4.26Å
676	G	80.3	Confident	84.8	Confident	35 Å²	35	60 Å²	60	36%	0.361	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-4.7	-178.5	0	0	0	0	0	114.9	D674 Q685 Q686	D674-G676 PolarHBondContact O-N 2.85Å; G676-Q685 CarbonylContact O-C 3.56Å; G676-Q685 VanDerWaalsContact O-CA 3.3Å; G676-Q685 WeakPolarHBondContact O-CA 3.39Å; G676-Q686 PolarHBondContact O-N 3.13Å
677	W	86.9	Confident	84.1	Confident	55 Å²	55	63.5 Å²	63.5	21%	0.208	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-106	141.3	175.8	-67.8	90.7	0	0	0	112.1	H662 C673 D674 C682 Q685	H662-W677 HydrophobicContact CB-CB 4.38Å; H662-W677 HydrophobicContact CB-CD2 3.6Å; H662-W677 HydrophobicContact CB-CE3 4.13Å; H662-W677 HydrophobicContact CB-CG 3.7Å; H662-W677 HydrophobicContact CB-CZ2 4.36Å; H662-W677 AromaticContact CD2-CD2 3.97Å; H662-W677 AromaticContact CD2-CE2 3.68Å; H662-W677 AromaticContact CD2-CE3 3.95Å; H662-W677 AromaticContact CD2-CH2 3.35Å; H662-W677 WeakPolarHBondContact CD2-CH2 3.16Å; H662-W677 AromaticContact CD2-CZ2 3.38Å; H662-W677 WeakPolarHBondContact CD2-CZ2 3.13Å; H662-W677 AromaticContact CD2-CZ3 3.65Å; H662-W677 AromaticContact CE1-CE2 3.89Å; H662-W677 AromaticContact CE1-CH2 3.96Å; H662-W677 AromaticContact CE1-CZ2 3.39Å; H662-W677 WeakPolarHBondContact CE1-CZ2 3.19Å; H662-W677 AromaticContact CG-CD2 3.68Å; H662-W677 AromaticContact CG-CE2 3.35Å; H662-W677 AromaticContact CG-CH2 3.94Å; H662-W677 AromaticContact CG-CZ2 3.51Å; H662-W677 AromaticContact CG-NE1 3.72Å; H662-W677 AromaticContact ND1-CE2 3.5Å; H662-W677 AromaticContact ND1-CZ2 3.51Å; H662-W677 AromaticContact ND1-NE1 3.6Å; H662-W677 AromaticContact NE2-CH2 3.39Å; H662-W677 WeakPolarHBondContact NE2-CH2 3.42Å; H662-W677 AromaticContact NE2-CZ2 3.32Å; H662-W677 VanDerWaalsContact NE2-CZ2 3.32Å; H662-W677 WeakPolarHBondContact NE2-CZ2 3.32Å; C673-W677 HydrophobicContact CB-CB 3.87Å; C673-W677 WeakPolarHBondContact CB-O 3.24Å; D674-W677 WeakPolarHBondContact O-CB 3.32Å; D674-W677 PolarHBondContact O-N 2.99Å; W677-C682 HydrophobicContact CB-CB 4.21Å; W677-Q685 HydrophobicContact CD2-CG 4.32Å; W677-Q685 HydrophobicContact CE3-CG 4.21Å; W677-Q685 HydrophobicContact CH2-CG 4.12Å; W677-Q685 HydrophobicContact CZ2-CG 4.2Å; W677-Q685 HydrophobicContact CZ3-CG 4.12Å
678	A	82.9	Confident	83.7	Confident	7 Å²	7	66.3 Å²	66.3	6%	0.058	37%	0.374	C	S	.	.			trans	-94.3	136.3	-174.4	0	0	0	0	0	113.3	C682 V684 L689	A678-C682 VanDerWaalsContact O-CA 3.25Å; A678-C682 WeakPolarHBondContact O-CA 3.3Å; A678-C682 PolarHBondContact O-N 3.31Å; A678-V684 PolarHBondContact N-O 2.99Å; A678-L689 HydrophobicContact CB-CD1 3.28Å
679	P	83.6	Confident	82.8	Confident	94 Å²	94	65.5 Å²	65.5	61%	0.61	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	159.5	167.4	29.5	-34.1	0	0	0	110.8
680	P	85.1	Confident	81.5	Confident	87 Å²	87	66.8 Å²	66.8	57%	0.565	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.8	-10.4	10.7	33.7	-34.3	0	0	0	115.7	C671	C671-P680 WeakPolarHBondContact CB-O 3.24Å
681	F	88.1	Confident	79.8	Confident	112 Å²	112	70 Å²	70	49%	0.491	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-1.1	-173.2	-57.1	-60.8	0	0	0	114.5	K658 C659 N660 A683	K658-F681 HydrophobicContact CB-CD1 4.19Å; K658-F681 VanDerWaalsContact O-O 3.1Å; C659-F681 CarbonylContact C-O 3.53Å; C659-F681 WeakPolarHBondContact CA-O 3.32Å; N660-F681 PolarHBondContact ND2-O 3.32Å; F681-A683 HydrophobicContact CB-CB 4.41Å; F681-A683 PolarHBondContact O-N 3.22Å
682	C	90	Very high	78	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	34.4	-176.2	-38.3	0	0	0	0	112.8	H662 C671 C673 W677 A678	H662-C682 HydrophobicContact CB-CB 3.97Å; H662-C682 WeakPolarHBondContact O-CB 3.28Å; C671-C682 WeakPolarHBondContact CB-SG 3.25Å; C673-C682 WeakPolarHBondContact CA-SG 3.46Å; C673-C682 HydrophobicContact CB-CB 3.77Å; C673-C682 WeakPolarHBondContact CB-SG 3.02Å; C673-C682 WeakPolarHBondContact SG-CA 3.5Å; C673-C682 WeakPolarHBondContact SG-CB 3.27Å; C673-C682 CovalentContact SG-SG 2.04Å; C673-C682 PolarHBondContact SG-SG 3.07Å; W677-C682 HydrophobicContact CB-CB 4.21Å; A678-C682 VanDerWaalsContact O-CA 3.25Å; A678-C682 WeakPolarHBondContact O-CA 3.3Å; A678-C682 PolarHBondContact O-N 3.31Å
683	A	88.4	Confident	76.2	Confident	56 Å²	56	79 Å²	79	46%	0.463	44%	0.442	S	S	.	.			trans	-94.5	-20	-175.9	0	0	0	0	0	113.5	F681	F681-A683 HydrophobicContact CB-CB 4.41Å; F681-A683 PolarHBondContact O-N 3.22Å
684	V	87.7	Confident	74.4	Confident	63 Å²	63	80.5 Å²	80.5	38%	0.382	46%	0.46	S	S	.	.	S	Bend	trans	-127.6	143.4	-171.7	-176.1	0	0	0	0	108.6	A678 E688	A678-V684 PolarHBondContact N-O 2.99Å; V684-E688 HydrophobicContact CG1-CB 3.92Å; V684-E688 WeakPolarHBondContact CG1-OE2 3.5Å
685	Q	82.3	Confident	72.9	Confident	85 Å²	85	83.6 Å²	83.6	40%	0.397	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-77.8	144.9	175.2	-70	-173.5	4.1	0	0	110.9	G676 W677 S687 E688	G676-Q685 CarbonylContact O-C 3.56Å; G676-Q685 VanDerWaalsContact O-CA 3.3Å; G676-Q685 WeakPolarHBondContact O-CA 3.39Å; W677-Q685 HydrophobicContact CD2-CG 4.32Å; W677-Q685 HydrophobicContact CE3-CG 4.21Å; W677-Q685 HydrophobicContact CH2-CG 4.12Å; W677-Q685 HydrophobicContact CZ2-CG 4.2Å; W677-Q685 HydrophobicContact CZ3-CG 4.12Å; Q685-S687 PolarHBondContact O-N 3.37Å; Q685-E688 HydrophobicContact CB-CG 4.18Å; Q685-E688 PolarHBondContact N-OE2 3.16Å; Q685-E688 WeakPolarHBondContact O-CB 3.4Å; Q685-E688 PolarHBondContact O-N 3.36Å
686	Q	73	Confident	71.7	Confident	76 Å²	76	82.8 Å²	82.8	36%	0.355	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-64.2	-25.3	-175.4	-146.8	164.9	22.2	0	0	112.5	G676 E688	G676-Q686 PolarHBondContact O-N 3.13Å; Q686-E688 VanDerWaalsContact C-N 3.3Å; Q686-E688 PolarHBondContact O-N 2.97Å
687	S	71.4	Confident	70.6	Confident	85 Å²	85	86.6 Å²	86.6	59%	0.594	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20.5	172.4	49.6	0	0	0	0	114.3	Q685 T690	Q685-S687 PolarHBondContact O-N 3.37Å; S687-T690 PolarHBondContact O-OG1 2.86Å
688	E	71	Confident	69.4	Low	131 Å²	131	88.4 Å²	88.4	61%	0.612	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-87.6	-12.6	-179.6	-61.1	173.9	155.2	0	0	111.9	V684 Q685 Q686	V684-E688 HydrophobicContact CG1-CB 3.92Å; V684-E688 WeakPolarHBondContact CG1-OE2 3.5Å; Q685-E688 HydrophobicContact CB-CG 4.18Å; Q685-E688 PolarHBondContact N-OE2 3.16Å; Q685-E688 WeakPolarHBondContact O-CB 3.4Å; Q685-E688 PolarHBondContact O-N 3.36Å; Q686-E688 VanDerWaalsContact C-N 3.3Å; Q686-E688 PolarHBondContact O-N 2.97Å
689	L	63.6	Low	68.8	Low	80 Å²	80	92.1 Å²	92.1	42%	0.419	52%	0.521	S	S	.	.	S	Bend	trans	-82.2	-15	179.2	-79.1	160.4	0	0	0	113.7	A678 E691 S693	A678-L689 HydrophobicContact CB-CD1 3.28Å; L689-E691 PolarHBondContact O-N 3Å; L689-S693 PolarHBondContact O-OG 2.86Å; L689-S693 VanDerWaalsContact O-OG 3.05Å
690	T	54.2	Low	68.2	Low	112 Å²	112	91.8 Å²	91.8	69%	0.687	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	6.2	-163.8	32.8	0	0	0	0	117.4	S687	S687-T690 PolarHBondContact O-OG1 2.86Å
691	E	52.1	Low	67.5	Low	189 Å²	189	91.2 Å²	91.2	88%	0.883	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	-11.9	179	-75.7	-158.2	148.4	0	0	118.4	L689	L689-E691 PolarHBondContact O-N 3Å
692	E	51.4	Low	67.2	Low	177 Å²	177	89.9 Å²	89.9	83%	0.827	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	-12.5	-178.8	-65.5	-147.9	156.6	0	0	116.8
693	S	53	Low	67	Low	62 Å²	62	94 Å²	94	43%	0.434	54%	0.537	S	S	.	.	H	α-helix	trans	-89.1	-26.6	-169.8	57.6	0	0	0	0	115	L689 I697	L689-S693 PolarHBondContact O-OG 2.86Å; L689-S693 VanDerWaalsContact O-OG 3.05Å; S693-I697 WeakPolarHBondContact O-CG1 3.17Å; S693-I697 PolarHBondContact O-N 3.38Å
694	G	51.2	Low	66.9	Low	48 Å²	48	94.9 Å²	94.9	50%	0.495	54%	0.536	S	S	.	.	H	α-helix	trans	-70.4	-37.6	-179.4	0	0	0	0	0	113.8	V698	G694-V698 WeakPolarHBondContact O-CG2 3.4Å; G694-V698 PolarHBondContact O-N 3.25Å
695	L	54.4	Low	66.8	Low	132 Å²	132	93.5 Å²	93.5	69%	0.691	54%	0.535	S	S	*	.	H	α-helix	trans	-69.8	-39.6	-179.1	-157.6	82.4	0	0	0	111.4	I697 V698 I699	L695-I697 PolarHBondContact O-N 2.97Å; L695-V698 PolarHBondContact O-N 3.4Å; L695-I699 HydrophobicContact CD2-CD1 4.02Å; L695-I699 HydrophobicContact CG-CD1 3.89Å; L695-I699 WeakPolarHBondContact O-CB 3.44Å; L695-I699 WeakPolarHBondContact O-CD1 3.02Å; L695-I699 WeakPolarHBondContact O-CG1 3.1Å; L695-I699 PolarHBondContact O-N 3.43Å
696	A	55.7	Low	67.1	Low	53 Å²	53	94.4 Å²	94.4	44%	0.438	54%	0.542	S	S	.	.	H	α-helix	trans	-63.5	-41	179.3	0	0	0	0	0	112.4	I699 V700	A696-I699 PolarHBondContact O-N 3.16Å; A696-V700 WeakPolarHBondContact O-CB 3.17Å; A696-V700 VanDerWaalsContact O-CG2 3.24Å; A696-V700 WeakPolarHBondContact O-CG2 3.18Å; A696-V700 PolarHBondContact O-N 3.17Å
697	I	56.8	Low	67.9	Low	115 Å²	115	95.5 Å²	95.5	59%	0.59	55%	0.549	S	S	*	.	H	α-helix	trans	-68.2	-40.8	179.9	-64.2	169.5	0	0	0	111.3	S693 L695 S701	S693-I697 WeakPolarHBondContact O-CG1 3.17Å; S693-I697 PolarHBondContact O-N 3.38Å; L695-I697 PolarHBondContact O-N 2.97Å; I697-S701 WeakPolarHBondContact O-CB 3.34Å; I697-S701 PolarHBondContact O-N 3.24Å; I697-S701 PolarHBondContact O-OG 2.03Å
698	V	61.4	Low	68.7	Low	92 Å²	92	96.4 Å²	96.4	56%	0.558	55%	0.546	S	S	*	.	H	α-helix	trans	-65	-44.7	176.2	175.2	0	0	0	0	110.6	G694 L695 S701 V702	G694-V698 WeakPolarHBondContact O-CG2 3.4Å; G694-V698 PolarHBondContact O-N 3.25Å; L695-V698 PolarHBondContact O-N 3.4Å; V698-S701 PolarHBondContact O-N 3.23Å; V698-V702 HydrophobicContact CG1-CG2 4.47Å; V698-V702 VanDerWaalsContact O-CG2 3.28Å; V698-V702 WeakPolarHBondContact O-CG2 3.47Å; V698-V702 PolarHBondContact O-N 3.48Å
699	I	69.8	Low	69.6	Low	86 Å²	86	94.9 Å²	94.9	44%	0.441	54%	0.542	S	S	.	.	H	α-helix	trans	-61.6	-47	177.9	-69.4	165.7	0	0	0	110.9	L695 A696 S701 V702 I703	L695-I699 HydrophobicContact CD2-CD1 4.02Å; L695-I699 HydrophobicContact CG-CD1 3.89Å; L695-I699 WeakPolarHBondContact O-CB 3.44Å; L695-I699 WeakPolarHBondContact O-CD1 3.02Å; L695-I699 WeakPolarHBondContact O-CG1 3.1Å; L695-I699 PolarHBondContact O-N 3.43Å; A696-I699 PolarHBondContact O-N 3.16Å; I699-S701 VanDerWaalsContact C-N 3.34Å; I699-S701 PolarHBondContact O-N 3.29Å; I699-V702 PolarHBondContact O-N 3.19Å; I699-I703 HydrophobicContact CG2-CD1 3.67Å; I699-I703 HydrophobicContact CG2-CG1 4.44Å; I699-I703 VanDerWaalsContact O-CG1 3.24Å; I699-I703 WeakPolarHBondContact O-CG1 3.46Å; I699-I703 PolarHBondContact O-N 3Å
700	V	72.6	Confident	70.8	Confident	87 Å²	87	96.1 Å²	96.1	53%	0.527	55%	0.548	S	S	.	.	H	α-helix	trans	-63.4	-40.8	179.6	172.2	0	0	0	0	111.2	A696 I703 V704	A696-V700 WeakPolarHBondContact O-CB 3.17Å; A696-V700 VanDerWaalsContact O-CG2 3.24Å; A696-V700 WeakPolarHBondContact O-CG2 3.18Å; A696-V700 PolarHBondContact O-N 3.17Å; V700-I703 PolarHBondContact O-N 3.48Å; V700-V704 HydrophobicContact CG1-CG2 4.4Å; V700-V704 VanDerWaalsContact O-CG2 3.3Å; V700-V704 WeakPolarHBondContact O-CG2 3.48Å; V700-V704 PolarHBondContact O-N 3.18Å
701	S	69.5	Low	72.5	Confident	75 Å²	75	95.1 Å²	95.1	52%	0.524	54%	0.542	S	S	.	.	H	α-helix	trans	-66.4	-38.4	178.7	-64.4	0	0	0	0	112.5	I697 V698 I699 G705	I697-S701 WeakPolarHBondContact O-CB 3.34Å; I697-S701 PolarHBondContact O-N 3.24Å; I697-S701 PolarHBondContact O-OG 2.03Å; V698-S701 PolarHBondContact O-N 3.23Å; I699-S701 VanDerWaalsContact C-N 3.34Å; I699-S701 PolarHBondContact O-N 3.29Å; S701-G705 PolarHBondContact O-N 3.46Å
702	V	82.3	Confident	74.2	Confident	83 Å²	83	91.6 Å²	91.6	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-43.1	174.2	171.4	0	0	0	0	111	V698 I699 G705 L706	V698-V702 HydrophobicContact CG1-CG2 4.47Å; V698-V702 VanDerWaalsContact O-CG2 3.28Å; V698-V702 WeakPolarHBondContact O-CG2 3.47Å; V698-V702 PolarHBondContact O-N 3.48Å; I699-V702 PolarHBondContact O-N 3.19Å; V702-G705 PolarHBondContact O-N 2.75Å; V702-L706 HydrophobicContact CG1-CD1 4Å; V702-L706 HydrophobicContact CG1-CG 4.5Å; V702-L706 WeakPolarHBondContact O-CB 3.34Å; V702-L706 WeakPolarHBondContact O-CG 3.28Å; V702-L706 PolarHBondContact O-N 3.28Å
703	I	85.3	Confident	76	Confident	87 Å²	87	88.1 Å²	88.1	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-45.8	178	-67.4	165.9	0	0	0	110.8	I699 V700 G705 L706 I707	I699-I703 HydrophobicContact CG2-CD1 3.67Å; I699-I703 HydrophobicContact CG2-CG1 4.44Å; I699-I703 VanDerWaalsContact O-CG1 3.24Å; I699-I703 WeakPolarHBondContact O-CG1 3.46Å; I699-I703 PolarHBondContact O-N 3Å; V700-I703 PolarHBondContact O-N 3.48Å; I703-G705 PolarHBondContact O-N 2.99Å; I703-L706 PolarHBondContact O-N 2.91Å; I703-I707 HydrophobicContact CG2-CD1 3.84Å; I703-I707 VanDerWaalsContact O-CG1 3.28Å; I703-I707 WeakPolarHBondContact O-CG1 3.46Å; I703-I707 PolarHBondContact O-N 3Å
704	V	87.1	Confident	77.6	Confident	75 Å²	75	89.7 Å²	89.7	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-41.2	178.2	173	0	0	0	0	111.3	V700 L706 I707 L708	V700-V704 HydrophobicContact CG1-CG2 4.4Å; V700-V704 VanDerWaalsContact O-CG2 3.3Å; V700-V704 WeakPolarHBondContact O-CG2 3.48Å; V700-V704 PolarHBondContact O-N 3.18Å; V704-L706 PolarHBondContact O-N 3.33Å; V704-I707 PolarHBondContact O-N 3.46Å; V704-L708 HydrophobicContact CG1-CD1 4.21Å; V704-L708 PolarHBondContact O-N 3.19Å
705	G	84.1	Confident	79.2	Confident	34 Å²	34	89.1 Å²	89.1	35%	0.351	51%	0.511	S	S	.	.	H	α-helix	trans	-61.1	-42.5	175.1	0	0	0	0	0	112.9	S701 V702 I703 L708 L709	S701-G705 PolarHBondContact O-N 3.46Å; V702-G705 PolarHBondContact O-N 2.75Å; I703-G705 PolarHBondContact O-N 2.99Å; G705-L708 PolarHBondContact O-N 3.33Å; G705-L709 PolarHBondContact O-N 3.38Å; G705-L709 VanDerWaalsContact O-N 3.08Å
706	L	89	Confident	80.3	Confident	104 Å²	104	85.6 Å²	85.6	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-40.6	176.3	-73.9	169.6	0	0	0	112.1	V702 I703 V704 L709 L710	V702-L706 HydrophobicContact CG1-CD1 4Å; V702-L706 HydrophobicContact CG1-CG 4.5Å; V702-L706 WeakPolarHBondContact O-CB 3.34Å; V702-L706 WeakPolarHBondContact O-CG 3.28Å; V702-L706 PolarHBondContact O-N 3.28Å; I703-L706 PolarHBondContact O-N 2.91Å; V704-L706 PolarHBondContact O-N 3.33Å; L706-L709 PolarHBondContact O-N 3.04Å; L706-L710 WeakPolarHBondContact O-CB 3.38Å; L706-L710 PolarHBondContact O-N 3.04Å
707	I	89.6	Confident	81.6	Confident	99 Å²	99	88.2 Å²	88.2	51%	0.508	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-44.6	177.2	-68.1	165.8	0	0	0	110.8	I703 V704 L709 L710 V711	I703-I707 HydrophobicContact CG2-CD1 3.84Å; I703-I707 VanDerWaalsContact O-CG1 3.28Å; I703-I707 WeakPolarHBondContact O-CG1 3.46Å; I703-I707 PolarHBondContact O-N 3Å; V704-I707 PolarHBondContact O-N 3.46Å; I707-L709 VanDerWaalsContact C-N 3.35Å; I707-L709 PolarHBondContact O-N 2.84Å; I707-L710 WeakPolarHBondContact O-CB 3.31Å; I707-L710 PolarHBondContact O-N 2.63Å; I707-V711 WeakPolarHBondContact O-CG2 3.36Å; I707-V711 PolarHBondContact O-N 2.97Å
708	L	88.9	Confident	82.6	Confident	103 Å²	103	86.4 Å²	86.4	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-41.4	177.7	-78.5	166.5	0	0	0	112.1	V704 G705 L710 V711 I712	V704-L708 HydrophobicContact CG1-CD1 4.21Å; V704-L708 PolarHBondContact O-N 3.19Å; G705-L708 PolarHBondContact O-N 3.33Å; L708-L710 VanDerWaalsContact C-N 3.32Å; L708-L710 PolarHBondContact O-N 3.24Å; L708-V711 PolarHBondContact O-N 3.03Å; L708-I712 VanDerWaalsContact O-CG1 3.31Å; L708-I712 WeakPolarHBondContact O-CG1 3.44Å; L708-I712 PolarHBondContact O-N 3.34Å
709	L	88.9	Confident	83.2	Confident	100 Å²	100	85.8 Å²	85.8	52%	0.524	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-41.4	174	-106.3	160	0	0	0	112.1	G705 L706 I707 I712 L713	G705-L709 PolarHBondContact O-N 3.38Å; G705-L709 VanDerWaalsContact O-N 3.08Å; L706-L709 PolarHBondContact O-N 3.04Å; I707-L709 VanDerWaalsContact C-N 3.35Å; I707-L709 PolarHBondContact O-N 2.84Å; L709-I712 PolarHBondContact O-N 2.65Å; L709-L713 WeakPolarHBondContact O-CB 3.48Å; L709-L713 WeakPolarHBondContact O-CG 3.25Å; L709-L713 PolarHBondContact O-N 2.92Å
710	L	89.5	Confident	83.3	Confident	105 Å²	105	88.6 Å²	88.6	55%	0.55	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-40.9	178.2	-128.6	147	0	0	0	111.7	L706 I707 L708 L713 I714	L706-L710 WeakPolarHBondContact O-CB 3.38Å; L706-L710 PolarHBondContact O-N 3.04Å; I707-L710 WeakPolarHBondContact O-CB 3.31Å; I707-L710 PolarHBondContact O-N 2.63Å; L708-L710 VanDerWaalsContact C-N 3.32Å; L708-L710 PolarHBondContact O-N 3.24Å; L710-L713 PolarHBondContact O-N 3.46Å; L710-I714 HydrophobicContact CD2-CD1 3.62Å; L710-I714 HydrophobicContact CD2-CG1 4.24Å; L710-I714 WeakPolarHBondContact O-CB 3.47Å; L710-I714 VanDerWaalsContact O-CG1 3.25Å; L710-I714 WeakPolarHBondContact O-CG1 3.49Å; L710-I714 PolarHBondContact O-N 3.36Å
711	V	90.2	Very high	83.2	Confident	91 Å²	91	89.5 Å²	89.5	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-63.3	-42.3	174.9	172.9	0	0	0	0	111.2	I707 L708 I714 G715	I707-V711 WeakPolarHBondContact O-CG2 3.36Å; I707-V711 PolarHBondContact O-N 2.97Å; L708-V711 PolarHBondContact O-N 3.03Å; V711-I714 PolarHBondContact O-N 2.75Å; V711-G715 PolarHBondContact O-N 2.89Å
712	I	88.2	Confident	82.9	Confident	115 Å²	115	96.2 Å²	96.2	59%	0.59	52%	0.522	S	S	*	.	H	α-helix	trans	-64.9	-42.6	176.9	-67.3	166.5	0	0	0	110.7	L708 L709 G715 S716	L708-I712 VanDerWaalsContact O-CG1 3.31Å; L708-I712 WeakPolarHBondContact O-CG1 3.44Å; L708-I712 PolarHBondContact O-N 3.34Å; L709-I712 PolarHBondContact O-N 2.65Å; I712-G715 PolarHBondContact O-N 3.49Å; I712-S716 WeakPolarHBondContact O-CB 3.45Å; I712-S716 PolarHBondContact O-N 2.91Å; I712-S716 PolarHBondContact O-OG 2.83Å
713	L	88.4	Confident	81.8	Confident	104 Å²	104	101 Å²	101	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-63.8	-45.4	177.4	-76.6	166.9	0	0	0	111.6	L709 L710 G715 S716 L717	L709-L713 WeakPolarHBondContact O-CB 3.48Å; L709-L713 WeakPolarHBondContact O-CG 3.25Å; L709-L713 PolarHBondContact O-N 2.92Å; L710-L713 PolarHBondContact O-N 3.46Å; L713-G715 PolarHBondContact O-N 3.35Å; L713-S716 WeakPolarHBondContact CA-OG 3.31Å; L713-S716 PolarHBondContact O-N 2.9Å; L713-S716 PolarHBondContact O-OG 3.35Å; L713-L717 WeakPolarHBondContact O-CB 3.39Å; L713-L717 PolarHBondContact O-N 2.88Å
714	I	86.9	Confident	80.5	Confident	95 Å²	95	106 Å²	106	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-63.8	-41.7	175.6	-66.9	166.6	0	0	0	111	L710 V711 S716 L717 T718	L710-I714 HydrophobicContact CD2-CD1 3.62Å; L710-I714 HydrophobicContact CD2-CG1 4.24Å; L710-I714 WeakPolarHBondContact O-CB 3.47Å; L710-I714 VanDerWaalsContact O-CG1 3.25Å; L710-I714 WeakPolarHBondContact O-CG1 3.49Å; L710-I714 PolarHBondContact O-N 3.36Å; V711-I714 PolarHBondContact O-N 2.75Å; I714-S716 PolarHBondContact O-N 3.34Å; I714-L717 PolarHBondContact O-N 2.78Å; I714-T718 HydrophobicContact CG2-CG2 4.39Å; I714-T718 WeakPolarHBondContact O-CB 3.28Å; I714-T718 WeakPolarHBondContact O-CG2 3.44Å; I714-T718 PolarHBondContact O-N 3.49Å; I714-T718 PolarHBondContact O-OG1 3.29Å
715	G	83.8	Confident	78.7	Confident	36 Å²	36	107.5 Å²	107.5	37%	0.371	56%	0.559	S	S	.	*	H	α-helix	trans	-61.1	-42.3	175.1	0	0	0	0	0	112.5	V711 I712 L713 T718 C719	V711-G715 PolarHBondContact O-N 2.89Å; I712-G715 PolarHBondContact O-N 3.49Å; L713-G715 PolarHBondContact O-N 3.35Å; G715-T718 WeakPolarHBondContact CA-OG1 3.38Å; G715-T718 PolarHBondContact O-OG1 2.86Å; G715-C719 WeakPolarHBondContact O-CB 3.37Å; G715-C719 PolarHBondContact O-N 3.35Å
716	S	79.1	Confident	76.9	Confident	59 Å²	59	111.6 Å²	111.6	41%	0.413	58%	0.579	S	S	.	*	H	α-helix	trans	-67.7	-40.7	176.7	73	0	0	0	0	112.1	I712 L713 I714 C719 F720	I712-S716 WeakPolarHBondContact O-CB 3.45Å; I712-S716 PolarHBondContact O-N 2.91Å; I712-S716 PolarHBondContact O-OG 2.83Å; L713-S716 WeakPolarHBondContact CA-OG 3.31Å; L713-S716 PolarHBondContact O-N 2.9Å; L713-S716 PolarHBondContact O-OG 3.35Å; I714-S716 PolarHBondContact O-N 3.34Å; S716-C719 PolarHBondContact O-N 3.38Å; S716-F720 WeakPolarHBondContact O-CB 3.48Å; S716-F720 PolarHBondContact O-N 2.85Å
717	L	81.3	Confident	74.9	Confident	108 Å²	108	113.5 Å²	113.5	57%	0.565	60%	0.595	S	S	*	*	H	α-helix	trans	-67.5	-43.6	178.4	-171.5	70.7	0	0	0	111.6	L713 I714 C719 F720 L721	L713-L717 WeakPolarHBondContact O-CB 3.39Å; L713-L717 PolarHBondContact O-N 2.88Å; I714-L717 PolarHBondContact O-N 2.78Å; L717-C719 VanDerWaalsContact C-N 3.33Å; L717-C719 PolarHBondContact O-N 3.17Å; L717-F720 PolarHBondContact O-N 3.48Å; L717-F720 VanDerWaalsContact O-N 3.17Å; L717-L721 HydrophobicContact CG-CD1 4.17Å; L717-L721 WeakPolarHBondContact O-CB 3.48Å; L717-L721 VanDerWaalsContact O-CG 3.28Å; L717-L721 WeakPolarHBondContact O-CG 3.32Å; L717-L721 PolarHBondContact O-N 3Å
718	T	78.2	Confident	72.7	Confident	76 Å²	76	117.8 Å²	117.8	47%	0.466	61%	0.61	S	S	.	*	H	α-helix	trans	-65	-37	175.7	47.2	0	0	0	0	111.9	I714 G715 F720 L721 R722	I714-T718 HydrophobicContact CG2-CG2 4.39Å; I714-T718 WeakPolarHBondContact O-CB 3.28Å; I714-T718 WeakPolarHBondContact O-CG2 3.44Å; I714-T718 PolarHBondContact O-N 3.49Å; I714-T718 PolarHBondContact O-OG1 3.29Å; G715-T718 WeakPolarHBondContact CA-OG1 3.38Å; G715-T718 PolarHBondContact O-OG1 2.86Å; T718-F720 VanDerWaalsContact C-N 3.35Å; T718-L721 PolarHBondContact O-N 3.36Å; T718-R722 WeakPolarHBondContact O-CB 3.41Å; T718-R722 PolarHBondContact O-N 3.49Å
719	C	73.7	Confident	70.4	Confident	80 Å²	80	124 Å²	124	54%	0.541	63%	0.626	S	S	.	*	H	α-helix	trans	-66.4	-36.5	172.2	-164	0	0	0	0	112.2	G715 S716 L717 K723	G715-C719 WeakPolarHBondContact O-CB 3.37Å; G715-C719 PolarHBondContact O-N 3.35Å; S716-C719 PolarHBondContact O-N 3.38Å; L717-C719 VanDerWaalsContact C-N 3.33Å; L717-C719 PolarHBondContact O-N 3.17Å; C719-K723 PolarHBondContact O-N 3.34Å
720	F	72.6	Confident	67.9	Low	144 Å²	144	129 Å²	129	63%	0.632	64%	0.644	S	S	*	*	H	α-helix	trans	-69.9	-39.1	176.6	-130.5	-88.5	0	0	0	112.3	S716 L717 T718 K723	S716-F720 WeakPolarHBondContact O-CB 3.48Å; S716-F720 PolarHBondContact O-N 2.85Å; L717-F720 PolarHBondContact O-N 3.48Å; L717-F720 VanDerWaalsContact O-N 3.17Å; T718-F720 VanDerWaalsContact C-N 3.35Å; F720-K723 PolarHBondContact O-N 3.02Å
721	L	70.4	Confident	65.6	Low	107 Å²	107	131.6 Å²	131.6	56%	0.56	66%	0.658	S	S	*	*	H	α-helix	trans	-70.2	-36	176.9	-69	170.3	0	0	0	111.9	L717 T718 K723 R724	L717-L721 HydrophobicContact CG-CD1 4.17Å; L717-L721 WeakPolarHBondContact O-CB 3.48Å; L717-L721 VanDerWaalsContact O-CG 3.28Å; L717-L721 WeakPolarHBondContact O-CG 3.32Å; L717-L721 PolarHBondContact O-N 3Å; T718-L721 PolarHBondContact O-N 3.36Å; L721-K723 VanDerWaalsContact C-N 3.26Å; L721-K723 PolarHBondContact O-N 3.27Å; L721-R724 PolarHBondContact O-N 2.97Å
722	R	63.8	Low	63.5	Low	216 Å²	216	132.6 Å²	132.6	82%	0.815	67%	0.666	S	S	*	*	H	α-helix	trans	-65.6	-24.6	173.1	-101.3	-177.9	165.1	152.2	-2.9	113.9	T718 R724	T718-R722 WeakPolarHBondContact O-CB 3.41Å; T718-R722 PolarHBondContact O-N 3.49Å; R722-R724 VanDerWaalsContact C-N 3.32Å; R722-R724 PolarHBondContact O-N 3.5Å
723	K	59.2	Low	60.8	Low	184 Å²	184	132.7 Å²	132.7	80%	0.8	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-5.9	176.6	-101.4	-176.9	176.1	-179.6	0	114.4	C719 F720 L721	C719-K723 PolarHBondContact O-N 3.34Å; F720-K723 PolarHBondContact O-N 3.02Å; L721-K723 VanDerWaalsContact C-N 3.26Å; L721-K723 PolarHBondContact O-N 3.27Å
724	R	57.4	Low	58.2	Low	190 Å²	190	133.5 Å²	133.5	72%	0.717	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	0.1	-177.9	-75.6	-169.2	176.8	-179.7	0.4	115.7	L721 R722 P726	L721-R724 PolarHBondContact O-N 2.97Å; R722-R724 VanDerWaalsContact C-N 3.32Å; R722-R724 PolarHBondContact O-N 3.5Å; R724-P726 WeakPolarHBondContact O-CD 3.49Å
725	T	49.2	Very low	55.7	Low	108 Å²	108	134.7 Å²	134.7	66%	0.663	70%	0.698	S	S	*	*			trans	-99	113.4	171.5	44.5	0	0	0	0	111.1
726	P	47.3	Very low	53.1	Low	120 Å²	120	136.3 Å²	136.3	78%	0.779	72%	0.715	S	S	*	*			trans	-95.1	115.6	177.9	34	-26	0	0	0	110.6	R724	R724-P726 WeakPolarHBondContact O-CD 3.49Å
727	T	45.7	Very low	50.9	Low	144 Å²	144	142.4 Å²	142.4	88%	0.883	74%	0.737	S	S	*	*			trans	-107.1	108.5	165.9	-5.2	0	0	0	0	109.2
728	K	44.5	Very low	48.6	Very low	189 Å²	189	142.2 Å²	142.2	82%	0.822	75%	0.745	S	S	*	*			trans	-85	137.7	170.8	-71.1	179.7	176.3	179.4	0	110.2
729	R	40.2	Very low	46.5	Very low	233 Å²	233	146 Å²	146	88%	0.879	76%	0.762	S	S	*	*			trans	171.3	111.2	132.5	-92.9	164.4	-168	-168.9	5	109.3
730	F	36.2	Very low	45.2	Very low	204 Å²	204	147.5 Å²	147.5	90%	0.895	77%	0.77	S	S	*	*				80.2	112.4	93.7	-90.2	-80.5	0	0	0	114.1
731	L	42	Very low	43.2	Very low	160 Å²	160	146.6 Å²	146.6	84%	0.838	78%	0.777	S	S	*	*			trans	-67.7	179.9	166.4	-68.2	157.5	0	0	0	110.9
732	P	45.9	Very low	41.3	Very low	112 Å²	112	149.8 Å²	149.8	73%	0.727	79%	0.786	S	S	*	*			cis	-147.6	-167.7	10.6	24.3	5.4	0	0	0	116.4
733	V	32.1	Very low	39.7	Very low	117 Å²	117	147.5 Å²	147.5	71%	0.709	79%	0.785	S	S	*	*			trans	110.7	122.3	138.8	-165.2	0	0	0	0	121.5
734	T	32.5	Very low	38.4	Very low	122 Å²	122	143 Å²	143	75%	0.748	78%	0.777	S	S	*	*			trans	68.7	120.3	148.6	59.4	0	0	0	0	126.3
735	S	33.8	Very low	37.2	Very low	120 Å²	120	138.9 Å²	138.9	84%	0.839	78%	0.777	S	S	*	*				30.9	134.4	117.7	-65.4	0	0	0	0	122.4
736	G	30.7	Very low	36.4	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	78%	0.778	S	S	*	*				126.4	111.2	120.3	0	0	0	0	0	118.3
737	Q	33	Very low	35.7	Very low	187 Å²	187	142.6 Å²	142.6	87%	0.874	78%	0.776	S	S	*	*			trans	84.1	120.7	135.3	-71.4	-173.6	-16.5	0	0	122.4
738	S	31.5	Very low	35	Very low	104 Å²	104	145.6 Å²	145.6	73%	0.727	77%	0.771	S	S	*	*				71.9	115.2	128.4	59.3	0	0	0	0	122.7
739	N	35.1	Very low	34.3	Very low	155 Å²	155	140 Å²	140	83%	0.829	77%	0.766	S	S	*	*				-8.6	152.8	129.7	-87.1	-17.3	0	0	0	116.1
740	P	46.9	Very low	33.9	Very low	111 Å²	111	134.5 Å²	134.5	72%	0.721	76%	0.764	S	S	*	*				-159.6	171	55.3	41.3	-18.2	0	0	0	119.8
741	V	30.9	Very low	33.7	Very low	126 Å²	126	129.2 Å²	129.2	76%	0.764	75%	0.752	S	S	*	*			trans	76.1	116.2	132.1	165.9	0	0	0	0	122.6
742	F	30.5	Very low	33.4	Very low	173 Å²	173	133.1 Å²	133.1	76%	0.759	76%	0.756	S	S	*	*			trans	40.1	137.3	131.2	-88.5	-106.7	0	0	0	124.3
743	Q	30.1	Very low	32.7	Very low	169 Å²	169	136 Å²	136	79%	0.79	76%	0.764	S	S	*	*			trans	72.3	146.3	147.1	-80.5	168.5	4.2	0	0	118.2
744	S	30	Very low	32.6	Very low	89 Å²	89	133.8 Å²	133.8	62%	0.622	77%	0.766	S	S	*	*			cis	-177.8	156.5	-11.4	49.4	0	0	0	0	108.4
745	S	32.8	Very low	32.5	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	77%	0.771	S	S	*	*			trans	72.3	144.8	149.6	81	0	0	0	0	117
746	T	32.2	Very low	32.4	Very low	113 Å²	113	134.8 Å²	134.8	69%	0.693	77%	0.771	S	S	*	*			cis	-170.4	154.4	16.1	-10.9	0	0	0	0	111.4
747	R	32.6	Very low	32.5	Very low	193 Å²	193	140.1 Å²	140.1	73%	0.728	78%	0.777	S	S	*	*			trans	78	115.6	138.1	-84.8	174	179.9	-175.5	3.3	123.5
748	R	32.4	Very low	32.6	Very low	208 Å²	208	138.8 Å²	138.8	79%	0.785	77%	0.774	S	S	*	*				113.3	130.5	104.5	-99.9	175.2	-154	-168.9	3.6	119.5
749	G	29.1	Very low	32.7	Very low	70 Å²	70	139.4 Å²	139.4	72%	0.722	78%	0.779	S	S	*	*			trans	122.1	86.9	147.2	0	0	0	0	0	114.5
750	S	31.8	Very low	32.5	Very low	118 Å²	118	140.8 Å²	140.8	83%	0.825	78%	0.78	S	S	*	*				71.8	133.9	94.6	-147.8	0	0	0	0	113.8
751	S	32.2	Very low	32.1	Very low	94 Å²	94	141.2 Å²	141.2	66%	0.657	78%	0.783	S	S	*	*			cis	-174.6	143.8	5.1	17.6	0	0	0	0	111.2
752	R	35	Very low	32	Very low	242 Å²	242	141.5 Å²	141.5	91%	0.913	79%	0.785	S	S	*	*			trans	55.7	144.2	148.3	-60.4	-173.9	-173.5	-163	2.5	119.2
753	L	31.8	Very low	31.9	Very low	171 Å²	171	143.2 Å²	143.2	90%	0.895	79%	0.793	S	S	*	*			cis	-166.3	148.7	14.8	-167	71.3	0	0	0	108.3
754	G	28.8	Very low	32	Very low	72 Å²	72	141.4 Å²	141.4	74%	0.742	79%	0.793	S	S	*	*			trans	146.2	99.5	153.1	0	0	0	0	0	119.6
755	S	31.7	Very low	31.9	Very low	122 Å²	122	146 Å²	146	85%	0.853	81%	0.805	S	S	*	*			trans	66	114.5	147.1	-150.2	0	0	0	0	121.6
756	T	31.1	Very low	31.9	Very low	140 Å²	140	146.8 Å²	146.8	86%	0.859	81%	0.81	S	S	*	*			trans	-98.6	126.8	167.1	39.3	0	0	0	0	111.3
757	H	33.9	Very low	31.9	Very low	182 Å²	182	146.6 Å²	146.6	84%	0.843	81%	0.814	S	S	*	*			trans	-110.8	135	168.5	-132.4	-81.8	0	0	0	109.5
758	I	34.6	Very low	31.9	Very low	159 Å²	159	143.8 Å²	143.8	82%	0.815	82%	0.818	S	S	*	*			trans	-94.4	137.9	175.7	-67.9	167.6	0	0	0	108.4
759	S	32.3	Very low	31.8	Very low	118 Å²	118	139 Å²	139	83%	0.825	82%	0.816	S	S	*	*			trans	-152.7	157.8	160.6	49.6	0	0	0	0	112.7
760	Q	32.3	Very low	31.8	Very low	183 Å²	183	144.7 Å²	144.7	86%	0.855	82%	0.824	S	S	*	*			trans	-88.8	173	-147.4	-84.8	-179.3	-21.2	0	0	117.4
761	P	38.4	Very low	31.7	Very low	121 Å²	121	144.5 Å²	144.5	79%	0.786	82%	0.82	S	S	*	*			trans	-89	157.8	-172.8	35.7	-33.1	0	0	0	114.4
762	T	28.4	Very low	31.4	Very low	131 Å²	131	146.4 Å²	146.4	80%	0.804	83%	0.832	S	S	*	*			trans	-110.4	130.9	-179.5	-50	0	0	0	0	110.6
763	F	27.7	Very low	31	Very low	210 Å²	210	144.4 Å²	144.4	92%	0.921	83%	0.83	S	S	*	*			trans	-86.6	141.7	167.8	-94.7	-93.2	0	0	0	110.1
764	V	33.4	Very low	31.8	Very low	130 Å²	130	141 Å²	141	79%	0.788	82%	0.818	S	S	*	*			trans	-111.3	128.6	178.3	-168.5	0	0	0	0	109.3
765	E	27.4	Very low	31.7	Very low	185 Å²	185	143.6 Å²	143.6	86%	0.864	81%	0.814	S	S	*	*			trans	-85.2	147.1	175.8	-167.6	163.4	-168.1	0	0	109.9
766	S	33.6	Very low	31.5	Very low	120 Å²	120	146.8 Å²	146.8	84%	0.839	81%	0.813	S	S	*	*			trans	-135.4	113.1	176.9	-62.5	0	0	0	0	110.5
767	S	31.8	Very low	31.6	Very low	110 Å²	110	145.8 Å²	145.8	77%	0.769	81%	0.812	S	S	*	*			trans	-107.4	143.8	162.9	48.6	0	0	0	0	108.7
768	V	31.3	Very low	31.3	Very low	134 Å²	134	141.7 Å²	141.7	81%	0.812	81%	0.809	S	S	*	*			trans	-174.9	119.3	130.8	166.6	0	0	0	0	109.8
769	S	31	Very low	31.1	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	81%	0.808	S	S	*	*			trans	-74.8	141.8	157.2	49.6	0	0	0	0	111.8
770	Q	28.7	Very low	30.9	Very low	190 Å²	190	139.6 Å²	139.6	89%	0.888	81%	0.808	S	S	*	*			trans	-150.4	151.8	147.3	-101.7	-163.7	-16.8	0	0	113.9
771	P	30.8	Very low	30.8	Very low	115 Å²	115	140.3 Å²	140.3	75%	0.747	81%	0.808	S	S	*	*			trans	-102.6	160.8	-162.2	39.8	-32.8	0	0	0	113.7
772	C	25.1	Very low	31.4	Very low	134 Å²	134	139.5 Å²	139.5	91%	0.905	80%	0.803	S	S	*	*			trans	-127.6	133.3	167.4	-89	0	0	0	0	111.6
773	K	27.6	Very low	31.6	Very low	200 Å²	200	141.9 Å²	141.9	87%	0.87	81%	0.805	S	S	*	*			trans	-144.7	163.6	164.6	-123.5	-168.3	-173.9	-179.7	0	107.8
774	P	47.4	Very low	31.8	Very low	100 Å²	100	138.6 Å²	138.6	65%	0.649	80%	0.802	S	S	*	*				-114.7	-177.6	-105.8	31.5	-13.6	0	0	0	111.9
775	L	26.8	Very low	31.7	Very low	126 Å²	126	136.4 Å²	136.4	66%	0.66	81%	0.807	S	S	*	*				161.8	139.2	121.3	-87.9	168.8	0	0	0	116.2
776	F	27.7	Very low	31.9	Very low	189 Å²	189	131.9 Å²	131.9	83%	0.829	80%	0.801	S	S	*	*			trans	79.9	132.2	142.1	-66.2	-54	0	0	0	124.1
777	S	32.9	Very low	31.7	Very low	119 Å²	119	133.5 Å²	133.5	83%	0.832	80%	0.799	S	S	*	*			trans	-85.3	153	178.3	-48.3	0	0	0	0	114.2
778	A	28.3	Very low	31.7	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	80%	0.802	S	S	*	*			trans	-176.2	114.5	140.4	0	0	0	0	0	107.6
779	A	29.5	Very low	32.4	Very low	96 Å²	96	136.1 Å²	136.1	79%	0.793	80%	0.797	S	S	*	*				93.3	137.3	77.1	0	0	0	0	0	114.6
780	V	28.3	Very low	32.1	Very low	137 Å²	137	136.9 Å²	136.9	83%	0.83	80%	0.801	S	S	*	*			trans	100.5	93.9	157.4	-165.4	0	0	0	0	119.9
781	K	30.4	Very low	32.1	Very low	198 Å²	198	139.5 Å²	139.5	86%	0.861	80%	0.802	S	S	*	*				49.6	164.9	110.5	-106.3	-165.3	179.4	177.6	0	122.8
782	P	51.7	Low	32.2	Very low	105 Å²	105	138.3 Å²	138.3	68%	0.682	80%	0.802	S	S	*	*				-130.4	162.6	-114.9	41.3	-22.7	0	0	0	116.5
783	Q	31.5	Very low	32.7	Very low	181 Å²	181	136.4 Å²	136.4	85%	0.846	80%	0.796	S	S	*	*			trans	-154.2	112	164.1	-72.9	-163.6	0.1	0	0	110.2
784	T	32	Very low	33.1	Very low	140 Å²	140	133.1 Å²	133.1	86%	0.859	80%	0.795	S	S	*	*				61.2	122.6	94.2	57.2	0	0	0	0	117
785	G	31.8	Very low	32.5	Very low	85 Å²	85	132.7 Å²	132.7	88%	0.876	80%	0.8	S	S	*	*			trans	153	122.5	158.3	0	0	0	0	0	114.6
786	A	32.2	Very low	33.6	Very low	90 Å²	90	132.3 Å²	132.3	74%	0.744	81%	0.805	S	S	*	*			trans	-114.1	166.4	-170.2	0	0	0	0	0	114
787	L	29.9	Very low	34.3	Very low	153 Å²	153	129.6 Å²	129.6	80%	0.801	81%	0.806	S	S	*	*			trans	85.6	106	150.6	-65.4	157.3	0	0	0	122
788	K	31.3	Very low	34.5	Very low	192 Å²	192	132.8 Å²	132.8	84%	0.835	81%	0.808	S	S	*	*				47.9	168.4	121.5	-79.2	-174.8	179.4	-179.3	0	121.7
789	P	45.1	Very low	34.6	Very low	107 Å²	107	138.3 Å²	138.3	70%	0.695	81%	0.814	S	S	*	*			cis	-142.7	178.8	-32.8	39.1	-19.4	0	0	0	116.9
790	C	24.6	Very low	34.7	Very low	122 Å²	122	142.1 Å²	142.1	82%	0.824	82%	0.816	S	S	*	*			trans	82.2	115.8	142.1	-82.6	0	0	0	0	125.9
791	R	29.3	Very low	36.2	Very low	245 Å²	245	140.5 Å²	140.5	93%	0.925	81%	0.808	S	S	*	*				105.9	114.7	118.8	-131.5	179.6	-171.6	176.3	2.2	123.2
792	A	32.9	Very low	36.2	Very low	90 Å²	90	137.2 Å²	137.2	74%	0.744	80%	0.804	S	S	*	*			trans	41.3	130.5	135.3	0	0	0	0	0	127.7
793	A	35.7	Very low	35.2	Very low	94 Å²	94	136.3 Å²	136.3	78%	0.777	81%	0.806	S	S	*	*			trans	53.3	141.7	136.1	0	0	0	0	0	122.5
794	P	35.6	Very low	35.1	Very low	131 Å²	131	132.2 Å²	132.2	85%	0.851	80%	0.798	S	S	*	*				-149.9	172.2	93.5	35.6	-15.5	0	0	0	117.1
795	A	34.2	Very low	35	Very low	91 Å²	91	133.4 Å²	133.4	75%	0.752	79%	0.793	S	S	*	*			trans	-113.9	-167.3	169.5	0	0	0	0	0	110.2
796	P	51.6	Low	34.8	Very low	119 Å²	119	136.7 Å²	136.7	77%	0.773	79%	0.789	S	S	*	*				-115.4	-161.7	-58	34	-14.5	0	0	0	110.9
797	P	42.3	Very low	34.7	Very low	131 Å²	131	136.7 Å²	136.7	85%	0.851	78%	0.784	S	S	*	*				-154.1	171.7	94.8	38.3	-17.4	0	0	0	117.7
798	E	37	Very low	34.7	Very low	187 Å²	187	138.4 Å²	138.4	87%	0.874	79%	0.785	S	S	*	*			trans	-101.1	157.4	-176.4	-173.5	-180	-145.3	0	0	112.4
799	K	29.8	Very low	34.6	Very low	210 Å²	210	134.9 Å²	134.9	91%	0.913	78%	0.779	S	S	*	*			trans	-175.7	131.6	152	-104.2	168.2	-169.2	-174.8	0	114.1
800	E	31.6	Very low	33.9	Very low	176 Å²	176	136.4 Å²	136.4	82%	0.822	78%	0.777	S	S	*	*			trans	-109.4	-175.3	157.3	-111.4	-164.7	-163.3	0	0	108.5
801	P	60.5	Low	34.3	Very low	103 Å²	103	138 Å²	138	67%	0.669	77%	0.772	S	S	*	*			cis	-136.4	-171.1	-7.3	27.8	-2.7	0	0	0	114.4
802	V	30	Very low	34.3	Very low	129 Å²	129	132.1 Å²	132.1	78%	0.782	76%	0.763	S	S	*	*			trans	148.7	118.7	134.3	171.4	0	0	0	0	115.3
803	A	30.6	Very low	34.2	Very low	87 Å²	87	131.5 Å²	131.5	72%	0.719	76%	0.758	S	S	*	*			trans	13.8	157.4	137.5	0	0	0	0	0	121.4
804	S	29	Very low	34	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	76%	0.759	S	S	*	*			cis	177.9	166.5	-1.5	45.4	0	0	0	0	110.4
805	H	30.3	Very low	33.6	Very low	165 Å²	165	136.7 Å²	136.7	76%	0.764	76%	0.755	S	S	*	*			trans	82.4	121	149.2	-78.5	-69.2	0	0	0	123.2
806	L	26.7	Very low	33.4	Very low	153 Å²	153	141 Å²	141	80%	0.801	76%	0.757	S	S	*	*				153.2	103.8	102.4	-126	121.7	0	0	0	109.6
807	S	31.1	Very low	32.2	Very low	90 Å²	90	143.8 Å²	143.8	63%	0.629	76%	0.761	S	S	*	*				77	114.7	82.2	-60	0	0	0	0	116.7
808	K	29	Very low	31.8	Very low	190 Å²	190	146 Å²	146	83%	0.826	76%	0.76	S	S	*	*				158.7	115.5	119.5	-94	-175.6	175.8	174.8	0	112.6
809	V	30.5	Very low	32	Very low	117 Å²	117	142.4 Å²	142.4	71%	0.709	75%	0.753	S	S	*	*				91.2	132.6	87.8	148.7	0	0	0	0	111
810	H	30.2	Very low	32.8	Very low	140 Å²	140	138.2 Å²	138.2	65%	0.648	75%	0.747	S	S	*	*			cis	-151.8	141.1	13.9	-111	35	0	0	0	108
811	Q	31.9	Very low	32.6	Very low	155 Å²	155	137.4 Å²	137.4	72%	0.724	75%	0.749	S	S	*	*				58.5	134.2	86.5	-66.9	-165.5	-2.5	0	0	114.5
812	V	29.3	Very low	31.3	Very low	121 Å²	121	138.6 Å²	138.6	73%	0.733	75%	0.754	S	S	*	*				-159	120.7	63.1	165.3	0	0	0	0	108.5
813	A	31.2	Very low	31.2	Very low	77 Å²	77	137.2 Å²	137.2	64%	0.636	75%	0.75	S	S	*	*				85.2	147.8	80.6	0	0	0	0	0	112.7
814	R	32.6	Very low	31.2	Very low	212 Å²	212	142.7 Å²	142.7	80%	0.8	76%	0.758	S	S	*	*			cis	-174.5	156.5	6.2	-124.3	168.9	-169.6	175.3	0.9	104.7
815	T	27.2	Very low	31.4	Very low	123 Å²	123	145.5 Å²	145.5	76%	0.755	77%	0.765	S	S	*	*				-176.2	124.1	60.6	8.4	0	0	0	0	105.6
816	F	29.5	Very low	31.9	Very low	182 Å²	182	142.8 Å²	142.8	80%	0.798	76%	0.761	S	S	*	*				48.4	134.6	79.4	-75.6	-78.8	0	0	0	114
817	M	26.9	Very low	32.1	Very low	176 Å²	176	142.1 Å²	142.1	87%	0.867	76%	0.757	S	S	*	*			cis	-172.6	150.5	42.2	-140.7	169.2	156.3	0	0	112.2
818	Q	33.6	Very low	32.1	Very low	177 Å²	177	148 Å²	148	83%	0.827	77%	0.767	S	S	*	*			trans	-62.4	176.9	157.5	-78.1	177.6	-22	0	0	111.6
819	P	40.5	Very low	32.1	Very low	113 Å²	113	143.4 Å²	143.4	73%	0.734	76%	0.759	S	S	*	*			cis	-152.3	-141.6	33.3	44	-18.8	0	0	0	112.9
820	P	46.1	Very low	32.4	Very low	121 Å²	121	145.5 Å²	145.5	79%	0.786	76%	0.761	S	S	*	*			cis	-132.8	-170.3	-27.3	35.4	-13.9	0	0	0	115.2
821	N	29.1	Very low	32.5	Very low	159 Å²	159	145.3 Å²	145.3	85%	0.85	76%	0.764	S	S	*	*			trans	-64.4	166.2	172.6	-100.9	-26.1	0	0	0	117
822	V	31.3	Very low	32.8	Very low	129 Å²	129	147 Å²	147	78%	0.782	77%	0.769	S	S	*	*			trans	138.6	109.9	133.7	177.6	0	0	0	0	116.2
823	S	29.3	Very low	33.2	Very low	100 Å²	100	147 Å²	147	70%	0.699	77%	0.772	S	S	*	*				49.2	133.2	129.5	-51.7	0	0	0	0	127
824	K	30.4	Very low	33.9	Very low	201 Å²	201	151 Å²	151	87%	0.874	78%	0.782	S	S	*	*			trans	89.3	131.9	137.8	-75.5	174.2	-177.7	-175.9	0	122.3
825	L	32.5	Very low	34.3	Very low	155 Å²	155	146.2 Å²	146.2	81%	0.812	78%	0.778	S	S	*	*			trans	-39.6	174.9	169.9	-76.7	115.1	0	0	0	117.7
826	P	41.6	Very low	35.2	Very low	107 Å²	107	146.5 Å²	146.5	70%	0.695	78%	0.782	S	S	*	*			cis	-147.5	166.5	23.3	27.9	-0.4	0	0	0	120.7
827	I	30.9	Very low	36.1	Very low	140 Å²	140	143.4 Å²	143.4	72%	0.718	78%	0.783	S	S	*	*			trans	40.2	131.8	136.1	-41.2	166.5	0	0	0	123.9
828	Y	30.4	Very low	36.5	Very low	214 Å²	214	146.6 Å²	146.6	84%	0.839	79%	0.786	S	S	*	*			trans	125.7	126.9	133.2	-105	-68.6	0	0	0	120.9
829	S	29.2	Very low	36.8	Very low	92 Å²	92	143.6 Å²	143.6	64%	0.643	78%	0.782	S	S	*	*			trans	71.1	117.5	144.1	-108.7	0	0	0	0	126.4
830	E	37.7	Very low	36.9	Very low	161 Å²	161	146.2 Å²	146.2	75%	0.752	79%	0.788	S	S	*	*				56.4	135.2	124.4	-91.2	-167.8	171.3	0	0	126
831	N	32.1	Very low	36.7	Very low	136 Å²	136	146 Å²	146	73%	0.727	79%	0.787	S	S	*	*			trans	90.1	116.7	142.3	-66.5	-30.4	0	0	0	122.8
832	K	37.1	Very low	37.5	Very low	191 Å²	191	144.5 Å²	144.5	83%	0.83	79%	0.786	S	S	*	*			trans	-2.8	157.1	152.8	-106.7	-173.2	178.2	178.3	0	119.5
833	P	39.1	Very low	38	Very low	121 Å²	121	146.8 Å²	146.8	79%	0.786	79%	0.793	S	S	*	*				-152.2	173.3	54.4	33.9	-9.2	0	0	0	118.6
834	L	45.4	Very low	38.2	Very low	160 Å²	160	146.3 Å²	146.3	84%	0.838	80%	0.795	S	S	*	*			trans	-89.2	148.9	168	-93.6	145.9	0	0	0	111.9
835	P	39.7	Very low	38.5	Very low	113 Å²	113	142.6 Å²	142.6	73%	0.734	79%	0.794	S	S	*	*			trans	-143.8	-173.7	151.2	45.9	-29.7	0	0	0	112.9
836	P	46.4	Very low	38.9	Very low	128 Å²	128	144.6 Å²	144.6	83%	0.831	80%	0.797	S	S	*	*				-131.7	175.2	-90.1	33.9	-11.9	0	0	0	115.5
837	S	48.5	Very low	39.1	Very low	118 Å²	118	145.9 Å²	145.9	83%	0.825	81%	0.805	S	S	*	*			trans	-92.1	154.4	-179.2	41.9	0	0	0	0	115.7
838	R	34.9	Very low	39.3	Very low	243 Å²	243	146.4 Å²	146.4	92%	0.917	81%	0.809	S	S	*	*			trans	-158.9	168.3	168.7	-125.2	-165.4	-168.8	-167.3	3.7	112.8
839	P	41.5	Very low	39.6	Very low	114 Å²	114	143.6 Å²	143.6	74%	0.74	81%	0.805	S	S	*	*				-126	179.1	-99.1	41	-23.8	0	0	0	116.1
840	L	42	Very low	39.8	Very low	168 Å²	168	147.8 Å²	147.8	88%	0.88	81%	0.812	S	S	*	*			trans	-84.1	155	179.2	-80.6	156.1	0	0	0	115.3
841	P	41.6	Very low	39.8	Very low	117 Å²	117	145.9 Å²	145.9	76%	0.76	81%	0.814	S	S	*	*			trans	-112.4	173.4	165.2	11	12.7	0	0	0	115.7
842	P	45.5	Very low	40.4	Very low	127 Å²	127	149.1 Å²	149.1	83%	0.825	82%	0.821	S	S	*	*			trans	-113.9	179.2	-138.2	42.7	-35.9	0	0	0	118.7
843	L	42.2	Very low	40.8	Very low	176 Å²	176	145.5 Å²	145.5	92%	0.921	82%	0.817	S	S	*	*			trans	-84.9	145.8	-179.5	-98.2	90.7	0	0	0	116.1
844	A	34.4	Very low	41	Very low	91 Å²	91	145.7 Å²	145.7	75%	0.752	82%	0.818	S	S	*	*			trans	-166.2	117.9	147.2	0	0	0	0	0	110
845	S	36.2	Very low	41	Very low	122 Å²	122	146.4 Å²	146.4	85%	0.853	82%	0.82	S	S	*	*				100.9	138.3	89.9	74.6	0	0	0	0	114.7
846	K	40	Very low	41.6	Very low	198 Å²	198	146.5 Å²	146.5	86%	0.861	82%	0.82	S	S	*	*			trans	-80.3	166.5	-167.4	-69.2	178.9	176.1	176.1	0	115
847	P	45.7	Very low	41.5	Very low	133 Å²	133	146.3 Å²	146.3	86%	0.864	82%	0.819	S	S	*	*				-141.1	-177.4	112.4	33	-14.4	0	0	0	116.5
848	N	35.3	Very low	41.1	Very low	151 Å²	151	148.8 Å²	148.8	81%	0.807	82%	0.822	S	S	*	*			trans	-87.1	152.1	-148.9	-96	-38.7	0	0	0	120.6
849	M	37.8	Very low	41.5	Very low	155 Å²	155	146.5 Å²	146.5	76%	0.764	82%	0.819	S	S	*	*			trans	70.9	128.8	136.2	-77.2	-170.3	95.9	0	0	126.9
850	K	32.3	Very low	41.4	Very low	180 Å²	180	147 Å²	147	78%	0.783	82%	0.822	S	S	*	*			trans	89.7	153.4	149.3	-72.6	179	-176.4	-178.5	0	120
851	P	38.9	Very low	41.3	Very low	122 Å²	122	148.4 Å²	148.4	79%	0.792	82%	0.821	S	S	*	*			cis	-123.8	171.4	-31.9	33.8	-15.5	0	0	0	113.3
852	K	43.5	Very low	41.4	Very low	204 Å²	204	148.9 Å²	148.9	89%	0.887	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-85.9	133.2	-173	-156	177.7	-171.9	-179.5	0	112.3
853	P	45.1	Very low	40.9	Very low	114 Å²	114	148 Å²	148	74%	0.74	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-80.6	156.6	168.7	-8	25.2	0	0	0	112.7
854	P	43.5	Very low	40.6	Very low	125 Å²	125	145.5 Å²	145.5	81%	0.812	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-79.6	153.7	-167.8	32.2	-33.5	0	0	0	113.6
855	M	45.7	Very low	40.6	Very low	176 Å²	176	147.8 Å²	147.8	87%	0.867	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-73.5	142.5	173.7	-64.6	-172	-49.8	0	0	111.5
856	P	51.6	Low	40.4	Very low	115 Å²	115	151.1 Å²	151.1	75%	0.747	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-75.2	154.7	170.8	27	-27.1	0	0	0	112.3
857	P	45.6	Very low	40	Very low	124 Å²	124	147.2 Å²	147.2	81%	0.805	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.1	143.8	-169.5	27.8	-33.1	0	0	0	113.7
858	L	40.8	Very low	39.3	Very low	169 Å²	169	145.8 Å²	145.8	89%	0.885	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-64.5	131.4	172.3	-85.7	98.8	0	0	0	111.3
859	K	41.5	Very low	39.4	Very low	195 Å²	195	146.5 Å²	146.5	85%	0.848	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-77.3	141.8	166.7	-76.3	-177.3	177.2	-179.9	0	110.9
860	P	40.6	Very low	39.8	Very low	124 Å²	124	145 Å²	145	81%	0.805	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-73.7	141.3	-176.5	27.7	-32	0	0	0	112.9
861	K	39.8	Very low	39.8	Very low	199 Å²	199	144.9 Å²	144.9	87%	0.865	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-70.7	139.3	169.1	-83.4	178.4	173.5	177.5	0	110.3
862	P	42.6	Very low	39.5	Very low	127 Å²	127	145 Å²	145	83%	0.825	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-78.9	138	169.1	29.5	-29.2	0	0	0	111.7
863	S	35.8	Very low	39	Very low	107 Å²	107	143.1 Å²	143.1	75%	0.748	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.7	153.5	172.2	-58.5	0	0	0	0	112.1
864	P	36.6	Very low	38.4	Very low	125 Å²	125	145.8 Å²	145.8	81%	0.812	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-82.6	132.4	-175.9	32	-31.1	0	0	0	111.8
865	V	33.7	Very low	37.9	Very low	139 Å²	139	147.6 Å²	147.6	84%	0.842	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-84.1	123.9	167.6	174.1	0	0	0	0	108.5
866	Q	32.6	Very low	37.2	Very low	191 Å²	191	143 Å²	143	89%	0.893	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-69.9	130.4	170	-74.6	171.2	-31.7	0	0	110.1
867	S	31.8	Very low	36.3	Very low	117 Å²	117	148.9 Å²	148.9	82%	0.818	84%	0.837	S	S	*	*			trans	-143.4	135.5	153.5	54.8	0	0	0	0	109.7
868	A	31	Very low	35.7	Very low	103 Å²	103	155.2 Å²	155.2	85%	0.851	85%	0.845	S	S	*	*			trans	-77.4	142.2	-165.7	0	0	0	0	0	112.8
869	L	36.8	Very low	35.4	Very low	165 Å²	165	151.6 Å²	151.6	86%	0.864	84%	0.839	S	S	*	*			trans	-105.4	146.5	159.9	-83.5	158.4	0	0	0	108.6
870	P	46.1	Very low	35	Very low	123 Å²	123	148.4 Å²	148.4	80%	0.799	84%	0.838	S	S	*	*			trans	-91.4	140	153.2	1.1	18.5	0	0	0	111.2
871	H	32.2	Very low	34.6	Very low	179 Å²	179	151 Å²	151	83%	0.829	85%	0.845	S	S	*	*			trans	-58.9	148.2	175.8	-81.2	-46.7	0	0	0	115.5
872	S	33	Very low	34.3	Very low	124 Å²	124	150 Å²	150	87%	0.867	85%	0.845	S	S	*	*				-150.4	129	128.6	56.3	0	0	0	0	110.7
873	Q	33.3	Very low	34	Very low	164 Å²	164	149.3 Å²	149.3	77%	0.766	84%	0.841	S	S	*	*			trans	-75.4	154	-175	-60.9	168.6	-28.9	0	0	112.3
874	L	32.6	Very low	34.4	Very low	170 Å²	170	150.3 Å²	150.3	89%	0.89	85%	0.845	S	S	*	*				-171.8	144.3	117.9	-99.5	156.2	0	0	0	112.7
875	L	32.8	Very low	34.5	Very low	164 Å²	164	149.8 Å²	149.8	86%	0.859	84%	0.844	S	S	*	*			trans	-80.6	153	-162.4	-74.1	130.6	0	0	0	114.5
876	G	31.4	Very low	34.6	Very low	78 Å²	78	154.8 Å²	154.8	80%	0.804	85%	0.848	S	S	*	*			trans	-171.7	86.4	162.1	0	0	0	0	0	113.3
877	R	31.6	Very low	35.4	Very low	240 Å²	240	151.7 Å²	151.7	91%	0.906	84%	0.844	S	S	*	*			trans	-52	143.2	171	-84.4	175.2	161.3	178.4	-5.1	112.7
878	R	33.2	Very low	35.6	Very low	256 Å²	256	161.5 Å²	161.5	97%	0.966	86%	0.863	S	S	*	*				-169.9	151	128.4	-101.6	164.8	-163.8	-151.5	5	112.7
879	A	34	Very low	35.9	Very low	93 Å²	93	164.4 Å²	164.4	77%	0.769	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-78.5	163	-160.9	0	0	0	0	0	116.2
880	P	33.9	Very low	35.8	Very low	128 Å²	128	164.4 Å²	164.4	83%	0.831	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-88.3	137.8	176.5	33.4	-30.7	0	0	0	113.1
881	L	32.1	Very low	35.3	Very low	179 Å²	179	166.7 Å²	166.7	94%	0.937	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-100.6	134.2	171.3	-82	161.9	0	0	0	110.6
882	M	32.8	Very low	35.4	Very low	178 Å²	178	165.9 Å²	165.9	88%	0.877	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-74.4	157.5	170.5	-83.3	-176.6	79.3	0	0	112.4
883	P	37.5	Very low	35.6	Very low	113 Å²	113	168.6 Å²	168.6	73%	0.734	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-85.8	148.6	-176.8	33.3	-33.3	0	0	0	113.3
884	P	43	Very low	35.8	Very low	128 Å²	128	168.9 Å²	168.9	83%	0.831	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-88.3	139.6	173.7	32.6	-29.9	0	0	0	113
885	S	39	Very low	36	Very low	113 Å²	113	168.8 Å²	168.8	79%	0.79	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-66.6	142.4	172	43.3	0	0	0	0	113.8
886	R	36.2	Very low	36.2	Very low	245 Å²	245	169.2 Å²	169.2	93%	0.925	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-62.5	151.3	167.8	-74.1	179.4	174.2	-177.9	-3	112.5
887	P	49	Very low	36.6	Very low	125 Å²	125	176.8 Å²	176.8	81%	0.812	88%	0.883	S	S	*	*			trans	-107.2	164.3	151.3	28.6	-12.9	0	0	0	112.7
888	R	37.4	Very low	37.1	Very low	323 Å²	323	171 Å²	171	100%	1.219	88%	0.881	S	S	*	*			trans	-50.9	0	-171.8	-75.7	176.4	175.1	173.3	-2.4	116.6

Retrieved 888 of 888 residues in 664.9 ms (Link to these results)

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