A0A077ZDU5_TRITR Loading...

AIRS C and AIRS and GARS N and Formyl trans N and GARS C and GARS A domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDU5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,091 aa.

						>A0A077ZDU5_TRITR|A0A077ZDU5
MTLPSPELQQKISELQTPPATVLVIGGGGREHSITHKLVQSGQVGAIFASPGNAGIALLPKTKCIRRHIHSTCFSVVNQLQTLALDLNNKEAVCAFCKHFYVDLVVIGPEDYLASGFVDYLTSRGVKCFGPTSACATLEFVALKKKQRNILPSKKKNRLATAWLIELCGYKCWVVKAVGLTRGKGVHVTKSAEEACATVTSFLKDKIYKEAGSEIVLEEVLVGEEISALCFTDGESVEMMPLVQDYKRLELGDRGPNTGGMGSTCPYQKLTKEEMKFIEENIMLKVIKYMKQKGNTYKGVLYAGLIKTDSNIFVLEFNCRFGDPEAEVSPRSYSELSFTVARLDKNFDIYNKIMVLMPLLQSDLYEVMQSCVNGNLSEHRVSWRQELYTLGVVMASEGYPRKYRTGFPIKGLTEADDGAPGAVVYHCGTAVNDSGQIVTNGGRVLCVVGSGIHPSAAKLMAYSTVACIDFEGCFFRRDIGRTTLSRSLQGTHSNLASVDVYLEAGVDLKMAREIQGILEPLCRQTSRPGTEDLKIGGFGAFFDLESAGYQYPLLVSGTDGVGTKIKIAAQCGKYETIGIDLVAMSVNDILTHNAEPLFFLDYIAVNAIDFTDIEQIVKGMAEGCKQANCALIGGETAELPGLYAPGELDLAGFAVGALEKGRDLKLPLTEKSTNHYNRIKEGDVVLGLASSGIHSNGFSMIRKIIDQMNTNLNAPASWNHDLDFGSALLTPTKIYVKSLLPILRSGKVKAAVHVTGGGLIDNIPRVLPSQLGVILDALSWPIHDEFQWIAAAGDIAPSEMAHIFNCGIGMVLIVENGEVDPVKNCLEERGERCYEIGKVYRINPEANERQVHIRNLNEAFSKLPCITTSIKYLKSRKKLVAVLISGEGTNMVALVSYSKQHCSSYDVVLVISNKKDAAGLAKARDMGIPAQFIASSKKGTEDFENSLQQALVEYEVELICLAGFMQILSGILVTQACGSSGIAGNFLKKWVGRIVNIHPALLPLFKGLHPHRQALDAGVRVSGATVHFAEEEVDSGGIISQRAVPVYTTDSESTLSERIKQIEHDIYPNAVDKVARGFVRRISSNKVCWTH
					

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(Predicted Aligned Error values between residue pairs)

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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	41.2	Very low	54.8	Low	246 Å²	246	124.5 Å²	124.5	100%	1.212	66%	0.655	S	S	*	*				0	126.7	0	-67.2	168.2	-177.9	0	0	106.9
2	T	41.7	Very low	54.7	Low	144 Å²	144	122.4 Å²	122.4	88%	0.883	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-70.5	144.8	175.5	31.1	0	0	0	0	110.4
3	L	46.2	Very low	54.2	Low	158 Å²	158	120.2 Å²	120.2	83%	0.827	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-67.8	149.5	175.3	-72.4	166.7	0	0	0	110.6
4	P	46.1	Very low	53.5	Low	60 Å²	60	120.9 Å²	120.9	39%	0.39	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-65.6	150.7	177.4	-16	29.6	0	0	0	112.1	L8 Q9	P4-L8 HydrophobicContact CB-CB 4.19Å; P4-L8 HydrophobicContact CB-CD2 3.95Å; P4-Q9 HydrophobicContact CB-CG 4.29Å; P4-Q9 PolarHBondContact O-NE2 3.3Å; P4-Q9 VanDerWaalsContact O-NE2 3.08Å
5	S	63.1	Low	52.8	Low	61 Å²	61	121.2 Å²	121.2	43%	0.427	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-62.7	155.2	175.6	62.1	0	0	0	0	112	E7 L8 Q9	S5-E7 PolarHBondContact O-N 3.24Å; S5-L8 PolarHBondContact O-N 2.99Å; S5-Q9 PolarHBondContact O-N 2.72Å
6	P	68.3	Low	52.8	Low	103 Å²	103	125.3 Å²	125.3	67%	0.669	66%	0.656	S	S	*	*	H	α-helix	trans	-55	-37.7	178.6	-27.3	35.9	0	0	0	113.6	L8 Q9 Q10	P6-L8 VanDerWaalsContact C-N 3.33Å; P6-L8 PolarHBondContact O-N 3Å; P6-Q9 PolarHBondContact O-N 3.37Å; P6-Q10 WeakPolarHBondContact O-CB 3.48Å; P6-Q10 PolarHBondContact O-N 3.22Å
7	E	62.4	Low	53.1	Low	149 Å²	149	125.6 Å²	125.6	70%	0.696	67%	0.665	S	S	*	*	H	α-helix	trans	-66.1	-33.2	176.4	-62.3	173.1	140.4	0	0	112.8	S5 K11	S5-E7 PolarHBondContact O-N 3.24Å; E7-K11 PolarHBondContact O-N 3.42Å
8	L	62.3	Low	53.9	Low	87 Å²	87	125.1 Å²	125.1	46%	0.455	67%	0.67	S	S	.	*	H	α-helix	trans	-75.2	-36.7	173.5	-154.1	80	0	0	0	111	P4 S5 P6 Q10 K11 I12	P4-L8 HydrophobicContact CB-CB 4.19Å; P4-L8 HydrophobicContact CB-CD2 3.95Å; S5-L8 PolarHBondContact O-N 2.99Å; P6-L8 VanDerWaalsContact C-N 3.33Å; P6-L8 PolarHBondContact O-N 3Å; L8-Q10 VanDerWaalsContact C-N 3.31Å; L8-Q10 PolarHBondContact O-N 2.83Å; L8-K11 PolarHBondContact O-N 3.14Å; L8-I12 HydrophobicContact CD2-CD1 4.2Å; L8-I12 HydrophobicContact CG-CD1 4.11Å; L8-I12 VanDerWaalsContact O-CB 3.31Å; L8-I12 WeakPolarHBondContact O-CB 3.37Å; L8-I12 WeakPolarHBondContact O-CD1 3.05Å; L8-I12 WeakPolarHBondContact O-CG1 3.37Å; L8-I12 PolarHBondContact O-N 3.2Å
9	Q	59.7	Low	55.6	Low	105 Å²	105	122.9 Å²	122.9	49%	0.491	66%	0.663	S	S	.	*	H	α-helix	trans	-62.2	-40.5	172.9	-65.6	-179.3	12.3	0	0	111.3	P4 S5 P6 I12 S13	P4-Q9 HydrophobicContact CB-CG 4.29Å; P4-Q9 PolarHBondContact O-NE2 3.3Å; P4-Q9 VanDerWaalsContact O-NE2 3.08Å; S5-Q9 PolarHBondContact O-N 2.72Å; P6-Q9 PolarHBondContact O-N 3.37Å; Q9-I12 PolarHBondContact O-N 3.37Å; Q9-S13 PolarHBondContact O-N 3.17Å
10	Q	56	Low	57.4	Low	117 Å²	117	117 Å²	117	55%	0.547	63%	0.632	S	S	.	*	H	α-helix	trans	-66.3	-46.6	175.9	-170.9	169.9	-10.8	0	0	111.8	P6 L8 I12 S13 E14	P6-Q10 WeakPolarHBondContact O-CB 3.48Å; P6-Q10 PolarHBondContact O-N 3.22Å; L8-Q10 VanDerWaalsContact C-N 3.31Å; L8-Q10 PolarHBondContact O-N 2.83Å; Q10-I12 VanDerWaalsContact C-N 3.27Å; Q10-I12 PolarHBondContact O-N 3.28Å; Q10-S13 WeakPolarHBondContact CA-OG 3.06Å; Q10-S13 CarbonylContact O-C 3.57Å; Q10-S13 WeakPolarHBondContact O-CA 3.07Å; Q10-S13 PolarHBondContact O-N 3.31Å; Q10-S13 PolarHBondContact O-OG 3.04Å; Q10-E14 PolarHBondContact NE2-OE1 3.37Å; Q10-E14 WeakPolarHBondContact O-CG 3.26Å; Q10-E14 PolarHBondContact O-N 3.18Å
11	K	55.2	Low	59.2	Low	140 Å²	140	112.5 Å²	112.5	61%	0.609	61%	0.609	S	S	*	*	H	α-helix	trans	-62.5	-30.9	173	-77.9	-177.8	174.6	178.3	0	113.7	E7 L8 E14 L15	E7-K11 PolarHBondContact O-N 3.42Å; L8-K11 PolarHBondContact O-N 3.14Å; K11-E14 PolarHBondContact O-N 2.99Å; K11-L15 WeakPolarHBondContact O-CG 3.48Å; K11-L15 PolarHBondContact O-N 3.49Å; K11-L15 VanDerWaalsContact O-N 3.13Å
12	I	53.8	Low	61.8	Low	99 Å²	99	100.8 Å²	100.8	51%	0.508	55%	0.551	S	S	.	*	H	α-helix	trans	-70.9	-31.5	172.5	-72.3	164	0	0	0	111.2	L8 Q9 Q10	L8-I12 HydrophobicContact CD2-CD1 4.2Å; L8-I12 HydrophobicContact CG-CD1 4.11Å; L8-I12 VanDerWaalsContact O-CB 3.31Å; L8-I12 WeakPolarHBondContact O-CB 3.37Å; L8-I12 WeakPolarHBondContact O-CD1 3.05Å; L8-I12 WeakPolarHBondContact O-CG1 3.37Å; L8-I12 PolarHBondContact O-N 3.2Å; Q9-I12 PolarHBondContact O-N 3.37Å; Q10-I12 VanDerWaalsContact C-N 3.27Å; Q10-I12 PolarHBondContact O-N 3.28Å
13	S	48.4	Very low	64.4	Low	93 Å²	93	94 Å²	94	65%	0.65	51%	0.509	S	S	*	.	H	α-helix	trans	-78.5	-20.4	173.1	69.2	0	0	0	0	114.5	Q9 Q10	Q9-S13 PolarHBondContact O-N 3.17Å; Q10-S13 WeakPolarHBondContact CA-OG 3.06Å; Q10-S13 CarbonylContact O-C 3.57Å; Q10-S13 WeakPolarHBondContact O-CA 3.07Å; Q10-S13 PolarHBondContact O-N 3.31Å; Q10-S13 PolarHBondContact O-OG 3.04Å
14	E	45.1	Very low	66.8	Low	131 Å²	131	86.5 Å²	86.5	61%	0.612	47%	0.47	S	S	*	.	H	α-helix	trans	-88.9	-15.6	174.9	-70.9	168.9	-174.4	0	0	112.7	Q10 K11	Q10-E14 PolarHBondContact NE2-OE1 3.37Å; Q10-E14 WeakPolarHBondContact O-CG 3.26Å; Q10-E14 PolarHBondContact O-N 3.18Å; K11-E14 PolarHBondContact O-N 2.99Å
15	L	41.8	Very low	69.1	Low	125 Å²	125	83.6 Å²	83.6	65%	0.654	45%	0.451	S	S	*	.	S	Bend	trans	-72.8	130.9	166.5	-76.7	165.6	0	0	0	109.5	K11 T17	K11-L15 WeakPolarHBondContact O-CG 3.48Å; K11-L15 PolarHBondContact O-N 3.49Å; K11-L15 VanDerWaalsContact O-N 3.13Å; L15-T17 PolarHBondContact O-N 3.47Å
16	Q	53	Low	70.5	Confident	187 Å²	187	80.9 Å²	80.9	87%	0.874	43%	0.433	S	S	*	.			trans	-48.5	139.9	173.2	-68.4	172.7	-40.3	0	0	110.4
17	T	58.2	Low	71.6	Confident	131 Å²	131	76.9 Å²	76.9	80%	0.804	41%	0.41	S	S	*	.			trans	-44.7	128.7	-179	26.1	0	0	0	0	110.8	L15	L15-T17 PolarHBondContact O-N 3.47Å
18	P	67.9	Low	73	Confident	115 Å²	115	70.6 Å²	70.6	75%	0.747	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-56.6	138	-173.2	23	-33.5	0	0	0	110	A20	P18-A20 PolarHBondContact O-N 3.37Å
19	P	85.4	Confident	74.4	Confident	84 Å²	84	66.4 Å²	66.4	55%	0.545	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-67.2	132.9	-173	30.1	-36.8	0	0	0	109.9	Q43	P19-Q43 CarbonylContact C-O 3.54Å; P19-Q43 VanDerWaalsContact CA-O 3.31Å; P19-Q43 WeakPolarHBondContact CA-O 3.47Å
20	A	92.5	Very high	76	Confident	5 Å²	5	62.6 Å²	62.6	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	152.7	-164.3	0	0	0	0	0	114	P18 Q43 G45 A46 D103 Y365	P18-A20 PolarHBondContact O-N 3.37Å; A20-Q43 PolarHBondContact N-O 3.18Å; A20-G45 PolarHBondContact O-N 2.87Å; A20-A46 PolarHBondContact O-N 3.38Å; A20-D103 WeakPolarHBondContact CA-OD2 3.3Å; A20-D103 HydrophobicContact CB-CB 4.14Å; A20-D103 WeakPolarHBondContact CB-OD2 3.4Å; A20-Y365 HydrophobicContact CB-CE1 3.96Å; A20-Y365 HydrophobicContact CB-CE2 4.13Å; A20-Y365 VanDerWaalsContact CB-CZ 3.44Å; A20-Y365 WeakPolarHBondContact CB-OH 3.15Å
21	T	95.2	Very high	77.8	Confident	23 Å²	23	57.3 Å²	57.3	14%	0.141	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.8	175.1	-60.5	0	0	0	0	110.6	A46 F48 V102 D103	T21-A46 WeakPolarHBondContact CA-O 3.29Å; T21-A46 HydrophobicContact CG2-CB 4.32Å; T21-F48 HydrophobicContact CG2-CD2 3.79Å; T21-F48 HydrophobicContact CG2-CE2 3.55Å; T21-V102 HydrophobicContact CG2-CG2 4.07Å; T21-V102 CarbonylContact O-C 3.51Å; T21-V102 WeakPolarHBondContact O-CA 3.1Å; T21-D103 PolarHBondContact N-OD2 3.01Å; T21-D103 PolarHBondContact O-N 3.37Å
22	V	96.4	Very high	79.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.9	-178.6	-173	0	0	0	0	110.9	V24 L38 V44 A46 I47 F48 L104 V106 Y365	V22-V24 HydrophobicContact CG1-CG2 4.45Å; V22-L38 HydrophobicContact CG1-CD1 3.88Å; V22-V44 HydrophobicContact CG2-CG1 4.08Å; V22-V44 HydrophobicContact CG2-CG2 3.99Å; V22-A46 PolarHBondContact N-O 3.33Å; V22-I47 HydrophobicContact CB-CG1 4.39Å; V22-I47 CarbonylContact O-C 3.51Å; V22-I47 WeakPolarHBondContact O-CA 3.33Å; V22-F48 PolarHBondContact O-N 3.06Å; V22-L104 CarbonylContact C-O 3.55Å; V22-L104 WeakPolarHBondContact CA-O 3.5Å; V22-L104 HydrophobicContact CG1-CB 4.43Å; V22-L104 WeakPolarHBondContact CG1-O 3.5Å; V22-V106 HydrophobicContact CG1-CG2 3.8Å; V22-Y365 HydrophobicContact CG2-CD2 3.97Å; V22-Y365 HydrophobicContact CG2-CE2 3.8Å
23	L	96.2	Very high	81.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	111.8	171.7	174.1	63.1	0	0	0	110.4	I25 F48 L85 V93 F96 V102 L104 V105 V106	L23-I25 HydrophobicContact CD1-CD1 4.12Å; L23-I25 HydrophobicContact CD2-CD1 3.85Å; L23-I25 HydrophobicContact CG-CD1 3.72Å; L23-F48 CarbonylContact C-O 3.48Å; L23-F48 WeakPolarHBondContact CA-O 3.47Å; L23-F48 HydrophobicContact CD1-CB 3.67Å; L23-L85 HydrophobicContact CD1-CD2 4.5Å; L23-L85 HydrophobicContact CD2-CD2 4.49Å; L23-V93 HydrophobicContact CD2-CG1 4.18Å; L23-F96 HydrophobicContact CD1-CE1 4.23Å; L23-F96 HydrophobicContact CD2-CD1 4.09Å; L23-F96 HydrophobicContact CD2-CE1 4.23Å; L23-V102 HydrophobicContact CB-CG1 3.71Å; L23-V102 HydrophobicContact CB-CG2 4.37Å; L23-L104 PolarHBondContact N-O 3.37Å; L23-V105 HydrophobicContact CB-CG2 4.33Å; L23-V105 HydrophobicContact CD2-CG1 4.38Å; L23-V105 HydrophobicContact CD2-CG2 4.32Å; L23-V105 HydrophobicContact CG-CG1 4.48Å; L23-V105 CarbonylContact O-C 3.59Å; L23-V105 WeakPolarHBondContact O-CA 3.37Å; L23-V106 PolarHBondContact O-N 3.09Å
24	V	95.8	Very high	83.6	Confident	1 Å²	1	42 Å²	42	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.5	174.5	-176.5	0	0	0	0	109.8	V22 E31 L38 I47 F48 A49 S50 V106	V22-V24 HydrophobicContact CG1-CG2 4.45Å; V24-E31 HydrophobicContact CG1-CB 4.12Å; V24-E31 HydrophobicContact CG1-CG 4.16Å; V24-L38 HydrophobicContact CG2-CD1 3.8Å; V24-I47 HydrophobicContact CG2-CG2 3.88Å; V24-F48 PolarHBondContact N-O 2.9Å; V24-A49 WeakPolarHBondContact O-CA 3.45Å; V24-S50 PolarHBondContact O-N 3.25Å; V24-V106 WeakPolarHBondContact CA-O 3.42Å; V24-V106 HydrophobicContact CG2-CB 4.45Å
25	I	94.8	Very high	85.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.2	175.7	-52.4	-56.7	0	0	0	109	L23 L87 V105 V106 I107 G108 P109 Y112 F117	L23-I25 HydrophobicContact CD1-CD1 4.12Å; L23-I25 HydrophobicContact CD2-CD1 3.85Å; L23-I25 HydrophobicContact CG-CD1 3.72Å; I25-L87 HydrophobicContact CD1-CD2 3.84Å; I25-L87 HydrophobicContact CG2-CD1 4.22Å; I25-L87 HydrophobicContact CG2-CD2 4.44Å; I25-V105 HydrophobicContact CD1-CG1 4.42Å; I25-V105 HydrophobicContact CG1-CG1 3.94Å; I25-V106 PolarHBondContact N-O 3.22Å; I25-I107 HydrophobicContact CG1-CG1 4.3Å; I25-G108 PolarHBondContact O-N 3.22Å; I25-G108 VanDerWaalsContact O-N 3.09Å; I25-P109 WeakPolarHBondContact O-CD 3.45Å; I25-Y112 HydrophobicContact CG2-CD2 3.56Å; I25-Y112 HydrophobicContact CG2-CE2 3.64Å; I25-Y112 HydrophobicContact CG2-CG 4.06Å; I25-F117 HydrophobicContact CG1-CE1 4.27Å
26	G	91.9	Very high	88.1	Confident	4 Å²	4	30.3 Å²	30.3	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.2	-163.6	178.1	0	0	0	0	0	113.6	E31 S50 P51 G52	G26-E31 WeakPolarHBondContact CA-OE2 3.48Å; G26-S50 PolarHBondContact N-O 3.39Å; G26-S50 CarbonylContact O-C 3.53Å; G26-S50 VanDerWaalsContact O-C 3.27Å; G26-P51 VanDerWaalsContact O-CD 3.31Å; G26-P51 WeakPolarHBondContact O-CD 3.32Å; G26-G52 WeakPolarHBondContact O-CA 3.44Å; G26-G52 PolarHBondContact O-N 2.98Å
27	G	90.8	Very high	89.7	Confident	18 Å²	18	21.8 Å²	21.8	19%	0.186	14%	0.14	C	C	.	.			trans	-177.3	15.5	-174.3	0	0	0	0	0	115.3	E31 N53	G27-E31 PolarHBondContact N-OE2 3.08Å; G27-N53 WeakPolarHBondContact O-CB 3.41Å; G27-N53 PolarHBondContact O-ND2 3.16Å
28	G	92.1	Very high	91.3	Very high	17 Å²	17	15.6 Å²	15.6	18%	0.175	10%	0.102	C	C	.	.	S	Bend	trans	-83.4	-172.1	169.3	0	0	0	0	0	113	E31 H32 N53	G28-E31 PolarHBondContact N-OE2 3.34Å; G28-E31 PolarHBondContact O-N 3.1Å; G28-H32 PolarHBondContact O-N 2.68Å; G28-H32 VanDerWaalsContact O-N 3.13Å; G28-N53 PolarHBondContact O-ND2 3.39Å
29	G	91.9	Very high	92.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.6	-42.7	-179.6	0	0	0	0	0	112.3	E31 H32 S33 E327	G29-E31 VanDerWaalsContact C-N 3.34Å; G29-E31 PolarHBondContact O-N 2.73Å; G29-H32 CarbonylContact O-C 3.56Å; G29-H32 WeakPolarHBondContact O-CA 3.5Å; G29-H32 VanDerWaalsContact O-CB 3.31Å; G29-H32 WeakPolarHBondContact O-CB 3.45Å; G29-H32 PolarHBondContact O-N 2.65Å; G29-S33 PolarHBondContact O-N 3.39Å; G29-E327 WeakPolarHBondContact CA-OE1 3.42Å
30	R	93.6	Very high	92.3	Very high	25 Å²	25	9.5 Å²	9.5	9%	0.094	6%	0.057	C	C	.	.	H	α-helix	trans	-50.7	-48	169.3	167.3	-177.7	62	-118.3	-18.2	113.4	H32 S33 I34 G108 F321 G322 D323 A326 E327	R30-H32 PolarHBondContact O-N 3.09Å; R30-S33 PolarHBondContact O-N 3.01Å; R30-S33 PolarHBondContact O-OG 3.11Å; R30-I34 HydrophobicContact CG-CD1 3.59Å; R30-I34 HydrophobicContact CG-CG1 4.34Å; R30-I34 WeakPolarHBondContact O-CB 3.31Å; R30-I34 VanDerWaalsContact O-CG1 3.22Å; R30-I34 WeakPolarHBondContact O-CG1 3.43Å; R30-I34 PolarHBondContact O-N 2.9Å; R30-G108 PolarHBondContact NE-O 2.8Å; R30-F321 WeakPolarHBondContact CD-O 3.29Å; R30-F321 HydrophobicContact CG-CB 4.12Å; R30-F321 PolarHBondContact NH1-O 3.12Å; R30-G322 WeakPolarHBondContact CB-O 3.47Å; R30-G322 WeakPolarHBondContact CD-O 3.45Å; R30-D323 HydrophobicContact CB-CB 3.92Å; R30-A326 HydrophobicContact CB-CB 3.77Å; R30-A326 HydrophobicContact CG-CB 3.7Å; R30-E327 PolarHBondContact N-OE1 3Å
31	E	94.9	Very high	92	Very high	5 Å²	5	9.3 Å²	9.3	2%	0.023	6%	0.056	C	C	.	.	H	α-helix	trans	-69.7	-27.6	-179.3	-71.9	94.8	-129.6	0	0	111.6	V24 G26 G27 G28 G29 T35 I56 G108	V24-E31 HydrophobicContact CG1-CB 4.12Å; V24-E31 HydrophobicContact CG1-CG 4.16Å; G26-E31 WeakPolarHBondContact CA-OE2 3.48Å; G27-E31 PolarHBondContact N-OE2 3.08Å; G28-E31 PolarHBondContact N-OE2 3.34Å; G28-E31 PolarHBondContact O-N 3.1Å; G29-E31 VanDerWaalsContact C-N 3.34Å; G29-E31 PolarHBondContact O-N 2.73Å; E31-T35 VanDerWaalsContact O-CB 3.23Å; E31-T35 WeakPolarHBondContact O-CB 3.22Å; E31-T35 PolarHBondContact O-N 3.21Å; E31-T35 PolarHBondContact O-OG1 3.37Å; E31-I56 HydrophobicContact CB-CD1 4.34Å; E31-G108 VanDerWaalsContact OE1-CA 3.32Å; E31-G108 WeakPolarHBondContact OE1-CA 3.35Å
32	H	94.1	Very high	91.6	Very high	10 Å²	10	11.8 Å²	11.8	5%	0.046	9%	0.086	C	C	.	.	H	α-helix	trans	-69.4	-46	170.2	-169.5	-164.1	0	0	0	112.1	G28 G29 R30 T35 H36 I56 Y425 H426	G28-H32 PolarHBondContact O-N 2.68Å; G28-H32 VanDerWaalsContact O-N 3.13Å; G29-H32 CarbonylContact O-C 3.56Å; G29-H32 WeakPolarHBondContact O-CA 3.5Å; G29-H32 VanDerWaalsContact O-CB 3.31Å; G29-H32 WeakPolarHBondContact O-CB 3.45Å; G29-H32 PolarHBondContact O-N 2.65Å; R30-H32 PolarHBondContact O-N 3.09Å; H32-T35 PolarHBondContact O-N 2.8Å; H32-H36 VanDerWaalsContact O-CB 3.28Å; H32-H36 WeakPolarHBondContact O-CB 3.39Å; H32-H36 PolarHBondContact O-N 3.03Å; H32-I56 HydrophobicContact CB-CD1 4.12Å; H32-I56 HydrophobicContact CB-CG1 3.71Å; H32-Y425 HydrophobicContact CB-CD1 4.29Å; H32-Y425 AromaticContact ND1-CD1 3.86Å; H32-H426 AromaticContact CE1-CD2 3.92Å; H32-H426 PolarHBondContact ND1-N 2.99Å
33	S	92.1	Very high	91.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-40.2	178.4	78.7	0	0	0	0	112.7	G29 R30 H36 K37 A326 M357	G29-S33 PolarHBondContact O-N 3.39Å; R30-S33 PolarHBondContact O-N 3.01Å; R30-S33 PolarHBondContact O-OG 3.11Å; S33-H36 PolarHBondContact O-N 2.87Å; S33-K37 PolarHBondContact O-N 2.85Å; S33-A326 WeakPolarHBondContact CB-O 3.45Å; S33-A326 PolarHBondContact OG-O 3.47Å; S33-M357 WeakPolarHBondContact O-CG 3.49Å
34	I	92.5	Very high	91.1	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-60.4	-51.9	171.8	-70.7	169.3	0	0	0	110.8	R30 H36 K37 L38 V106 F321 L364 M368	R30-I34 HydrophobicContact CG-CD1 3.59Å; R30-I34 HydrophobicContact CG-CG1 4.34Å; R30-I34 WeakPolarHBondContact O-CB 3.31Å; R30-I34 VanDerWaalsContact O-CG1 3.22Å; R30-I34 WeakPolarHBondContact O-CG1 3.43Å; R30-I34 PolarHBondContact O-N 2.9Å; I34-H36 VanDerWaalsContact C-N 3.27Å; I34-H36 PolarHBondContact O-N 2.71Å; I34-K37 PolarHBondContact O-N 3.48Å; I34-K37 VanDerWaalsContact O-N 3.16Å; I34-L38 HydrophobicContact CG2-CD1 3.9Å; I34-L38 WeakPolarHBondContact O-CG 3.47Å; I34-L38 PolarHBondContact O-N 3.16Å; I34-V106 HydrophobicContact CG2-CG1 3.97Å; I34-F321 HydrophobicContact CD1-CD2 3.65Å; I34-F321 HydrophobicContact CD1-CE2 3.98Å; I34-F321 HydrophobicContact CD1-CG 4.46Å; I34-F321 HydrophobicContact CG1-CD2 4.28Å; I34-F321 HydrophobicContact CG1-CE2 4.28Å; I34-L364 HydrophobicContact CG2-CD2 4.48Å; I34-M368 HydrophobicContact CG2-CE 4.15Å
35	T	93.5	Very high	90.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-44.4	179.6	-58.8	0	0	0	0	110.1	E31 H32 K37 L38 V39 I47 I56 L59 T62	E31-T35 VanDerWaalsContact O-CB 3.23Å; E31-T35 WeakPolarHBondContact O-CB 3.22Å; E31-T35 PolarHBondContact O-N 3.21Å; E31-T35 PolarHBondContact O-OG1 3.37Å; H32-T35 PolarHBondContact O-N 2.8Å; T35-K37 VanDerWaalsContact C-N 3.29Å; T35-K37 PolarHBondContact O-N 3Å; T35-L38 PolarHBondContact O-N 2.62Å; T35-L38 VanDerWaalsContact O-N 3.13Å; T35-V39 WeakPolarHBondContact O-CG2 3.04Å; T35-V39 PolarHBondContact O-N 2.81Å; T35-I47 HydrophobicContact CG2-CD1 4.28Å; T35-I47 HydrophobicContact CG2-CG2 4.01Å; T35-I56 HydrophobicContact CG2-CG2 4.02Å; T35-L59 HydrophobicContact CG2-CD1 3.94Å; T35-T62 HydrophobicContact CG2-CG2 3.61Å
36	H	88.1	Confident	90.7	Very high	11 Å²	11	18.4 Å²	18.4	5%	0.051	13%	0.13	C	C	.	.	H	α-helix	trans	-61.8	-36.7	179.4	-166.2	-155	0	0	0	112.9	H32 S33 I34 L59 V355 L356	H32-H36 VanDerWaalsContact O-CB 3.28Å; H32-H36 WeakPolarHBondContact O-CB 3.39Å; H32-H36 PolarHBondContact O-N 3.03Å; S33-H36 PolarHBondContact O-N 2.87Å; I34-H36 VanDerWaalsContact C-N 3.27Å; I34-H36 PolarHBondContact O-N 2.71Å; H36-L59 HydrophobicContact CB-CD1 3.82Å; H36-V355 PolarHBondContact CE1-N 2.7Å; H36-V355 PolarHBondContact CE1-O 2.64Å; H36-V355 PolarHBondContact ND1-O 2.68Å; H36-L356 WeakPolarHBondContact O-CD2 3.32Å
37	K	86.6	Confident	90.8	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-69.9	-35.8	173.7	-175.6	68.6	-175.7	-172.2	0	113.6	S33 I34 T35 Q40 L356 M357 L360 S362 L364	S33-K37 PolarHBondContact O-N 2.85Å; I34-K37 PolarHBondContact O-N 3.48Å; I34-K37 VanDerWaalsContact O-N 3.16Å; T35-K37 VanDerWaalsContact C-N 3.29Å; T35-K37 PolarHBondContact O-N 3Å; K37-Q40 PolarHBondContact O-N 3.46Å; K37-L356 VanDerWaalsContact CA-CD2 3.41Å; K37-L356 HydrophobicContact CB-CD2 4.05Å; K37-L356 HydrophobicContact CD-CD1 3.4Å; K37-L356 HydrophobicContact CD-CD2 4.02Å; K37-L356 HydrophobicContact CD-CG 4.18Å; K37-M357 HydrophobicContact CB-CB 4.15Å; K37-M357 HydrophobicContact CB-CE 4.01Å; K37-M357 HydrophobicContact CB-CG 4.06Å; K37-M357 HydrophobicContact CD-CB 4.43Å; K37-M357 HydrophobicContact CG-CB 4.47Å; K37-M357 HydrophobicContact CG-CE 3.83Å; K37-L360 PolarHBondContact NZ-O 2.87Å; K37-S362 VanDerWaalsContact CE-O 3.27Å; K37-S362 WeakPolarHBondContact CE-O 3.28Å; K37-S362 PolarHBondContact NZ-O 2.92Å; K37-L364 HydrophobicContact CB-CB 4.42Å; K37-L364 HydrophobicContact CB-CD2 3.78Å; K37-L364 HydrophobicContact CD-CB 4.36Å; K37-L364 HydrophobicContact CG-CB 3.4Å; K37-L364 VanDerWaalsContact CG-CB 3.4Å; K37-L364 HydrophobicContact CG-CD2 3.6Å; K37-L364 HydrophobicContact CG-CG 4.08Å
38	L	91.3	Very high	91	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-35.6	175.1	-70	164.9	0	0	0	112.6	V22 V24 I34 T35 Q40 S41 I47 V106 L364 Y365 M368	V22-L38 HydrophobicContact CG1-CD1 3.88Å; V24-L38 HydrophobicContact CG2-CD1 3.8Å; I34-L38 HydrophobicContact CG2-CD1 3.9Å; I34-L38 WeakPolarHBondContact O-CG 3.47Å; I34-L38 PolarHBondContact O-N 3.16Å; T35-L38 PolarHBondContact O-N 2.62Å; T35-L38 VanDerWaalsContact O-N 3.13Å; L38-Q40 PolarHBondContact O-N 3.18Å; L38-S41 WeakPolarHBondContact O-CB 3.28Å; L38-S41 PolarHBondContact O-N 3.11Å; L38-S41 VanDerWaalsContact O-N 3.09Å; L38-I47 HydrophobicContact CB-CD1 3.6Å; L38-I47 HydrophobicContact CB-CG1 4.46Å; L38-V106 HydrophobicContact CD1-CG2 4.4Å; L38-L364 HydrophobicContact CD2-CD2 4.4Å; L38-L364 HydrophobicContact CG-CD2 4.26Å; L38-Y365 HydrophobicContact CD2-CD2 4.32Å; L38-M368 HydrophobicContact CD2-SD 4.15Å
39	V	89.7	Confident	91	Very high	13 Å²	13	17.6 Å²	17.6	8%	0.079	12%	0.115	C	C	.	.	H	α-helix	trans	-55.1	-36.2	177.7	165.8	0	0	0	0	112.2	T35 S41 I47 L59 P60 K61 T62	T35-V39 WeakPolarHBondContact O-CG2 3.04Å; T35-V39 PolarHBondContact O-N 2.81Å; V39-S41 VanDerWaalsContact C-N 3.32Å; V39-S41 PolarHBondContact O-N 3.34Å; V39-I47 HydrophobicContact CB-CD1 4.36Å; V39-I47 HydrophobicContact CG2-CD1 3.58Å; V39-L59 HydrophobicContact CG2-CB 4.3Å; V39-P60 HydrophobicContact CG1-CG 3.79Å; V39-P60 VanDerWaalsContact CG2-O 3.23Å; V39-P60 WeakPolarHBondContact CG2-O 3.43Å; V39-K61 WeakPolarHBondContact O-CE 3.12Å; V39-K61 PolarHBondContact O-NZ 3.12Å; V39-T62 HydrophobicContact CG2-CG2 3.76Å
40	Q	83.7	Confident	91	Very high	59 Å²	59	17.7 Å²	17.7	28%	0.276	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.9	-177.2	-61.9	-162.7	4.6	0	0	114.4	K37 L38 G42 L356	K37-Q40 PolarHBondContact O-N 3.46Å; L38-Q40 PolarHBondContact O-N 3.18Å; Q40-G42 PolarHBondContact O-N 2.87Å; Q40-L356 HydrophobicContact CB-CD2 4.46Å; Q40-L356 HydrophobicContact CG-CD1 4.48Å; Q40-L356 HydrophobicContact CG-CD2 3.8Å; Q40-L356 HydrophobicContact CG-CG 4.32Å; Q40-L356 VanDerWaalsContact OE1-CG 3.26Å
41	S	88	Confident	90.9	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	13%	0.131	C	C	.	.			trans	-64	130	170.4	-179.3	0	0	0	0	110	L38 V39 Q43 V44 K61 D363	L38-S41 WeakPolarHBondContact O-CB 3.28Å; L38-S41 PolarHBondContact O-N 3.11Å; L38-S41 VanDerWaalsContact O-N 3.09Å; V39-S41 VanDerWaalsContact C-N 3.32Å; V39-S41 PolarHBondContact O-N 3.34Å; S41-Q43 PolarHBondContact O-N 2.85Å; S41-Q43 WeakPolarHBondContact OG-CB 3.23Å; S41-Q43 PolarHBondContact OG-N 2.65Å; S41-Q43 VanDerWaalsContact OG-N 3.08Å; S41-V44 PolarHBondContact O-N 3.06Å; S41-V44 PolarHBondContact OG-N 2.7Å; S41-K61 PolarHBondContact O-NZ 3.13Å; S41-D363 WeakPolarHBondContact CA-OD2 3.34Å; S41-D363 VanDerWaalsContact CB-OD1 3.31Å; S41-D363 WeakPolarHBondContact CB-OD1 3.27Å; S41-D363 WeakPolarHBondContact CB-OD2 2.91Å; S41-D363 PolarHBondContact OG-OD1 3.43Å; S41-D363 PolarHBondContact OG-OD2 2.9Å
42	G	85.8	Confident	90.7	Very high	75 Å²	75	19.8 Å²	19.8	77%	0.773	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.4	168.6	0	0	0	0	0	112.3	Q40	Q40-G42 PolarHBondContact O-N 2.87Å
43	Q	90.1	Very high	90.6	Very high	77 Å²	77	19.5 Å²	19.5	36%	0.36	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-20.7	178.6	-54	-165	31.2	0	0	113.4	P19 A20 S41 Y365 E366	P19-Q43 CarbonylContact C-O 3.54Å; P19-Q43 VanDerWaalsContact CA-O 3.31Å; P19-Q43 WeakPolarHBondContact CA-O 3.47Å; A20-Q43 PolarHBondContact N-O 3.18Å; S41-Q43 PolarHBondContact O-N 2.85Å; S41-Q43 WeakPolarHBondContact OG-CB 3.23Å; S41-Q43 PolarHBondContact OG-N 2.65Å; S41-Q43 VanDerWaalsContact OG-N 3.08Å; Q43-Y365 HydrophobicContact CB-CD1 3.74Å; Q43-Y365 HydrophobicContact CB-CE1 3.93Å; Q43-Y365 HydrophobicContact CG-CD1 4.44Å; Q43-E366 VanDerWaalsContact NE2-CG 3.26Å; Q43-E366 PolarHBondContact NE2-OE1 3.35Å
44	V	91.3	Very high	90.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.7	-176.9	176.6	0	0	0	0	110.7	V22 S41 I47 K61 Y365	V22-V44 HydrophobicContact CG2-CG1 4.08Å; V22-V44 HydrophobicContact CG2-CG2 3.99Å; S41-V44 PolarHBondContact O-N 3.06Å; S41-V44 PolarHBondContact OG-N 2.7Å; V44-I47 HydrophobicContact CG1-CD1 3.94Å; V44-I47 HydrophobicContact CG1-CG1 3.53Å; V44-K61 WeakPolarHBondContact O-CD 3.27Å; V44-K61 WeakPolarHBondContact O-CE 3.4Å; V44-K61 PolarHBondContact O-NZ 2.68Å; V44-Y365 HydrophobicContact CG2-CD1 4.11Å; V44-Y365 HydrophobicContact CG2-CD2 3.64Å; V44-Y365 HydrophobicContact CG2-CE2 4.2Å; V44-Y365 HydrophobicContact CG2-CG 3.59Å
45	G	89.8	Confident	90.6	Very high	30 Å²	30	19.7 Å²	19.7	31%	0.309	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-35.6	179.6	0	0	0	0	0	113.9	A20	A20-G45 PolarHBondContact O-N 2.87Å
46	A	92.9	Very high	90.5	Very high	31 Å²	31	19.7 Å²	19.7	26%	0.256	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144	-178.6	0	0	0	0	0	111.8	A20 T21 V22	A20-A46 PolarHBondContact O-N 3.38Å; T21-A46 WeakPolarHBondContact CA-O 3.29Å; T21-A46 HydrophobicContact CG2-CB 4.32Å; V22-A46 PolarHBondContact N-O 3.33Å
47	I	93.6	Very high	90.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.5	174.9	-54	163.2	0	0	0	110.3	V22 V24 T35 L38 V39 V44 K61 T62 K63	V22-I47 HydrophobicContact CB-CG1 4.39Å; V22-I47 CarbonylContact O-C 3.51Å; V22-I47 WeakPolarHBondContact O-CA 3.33Å; V24-I47 HydrophobicContact CG2-CG2 3.88Å; T35-I47 HydrophobicContact CG2-CD1 4.28Å; T35-I47 HydrophobicContact CG2-CG2 4.01Å; L38-I47 HydrophobicContact CB-CD1 3.6Å; L38-I47 HydrophobicContact CB-CG1 4.46Å; V39-I47 HydrophobicContact CB-CD1 4.36Å; V39-I47 HydrophobicContact CG2-CD1 3.58Å; V44-I47 HydrophobicContact CG1-CD1 3.94Å; V44-I47 HydrophobicContact CG1-CG1 3.53Å; I47-K61 PolarHBondContact N-O 3.48Å; I47-T62 HydrophobicContact CB-CG2 4.28Å; I47-T62 HydrophobicContact CD1-CG2 4.45Å; I47-T62 CarbonylContact O-C 3.45Å; I47-T62 WeakPolarHBondContact O-CA 3.38Å; I47-K63 PolarHBondContact O-N 3.23Å
48	F	95.2	Very high	90.6	Very high	22 Å²	22	27.1 Å²	27.1	10%	0.096	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.8	166.7	-62.9	-68.3	0	0	0	109.7	T21 V22 L23 V24 K63 I65 F96 F100	T21-F48 HydrophobicContact CG2-CD2 3.79Å; T21-F48 HydrophobicContact CG2-CE2 3.55Å; V22-F48 PolarHBondContact O-N 3.06Å; L23-F48 CarbonylContact C-O 3.48Å; L23-F48 WeakPolarHBondContact CA-O 3.47Å; L23-F48 HydrophobicContact CD1-CB 3.67Å; V24-F48 PolarHBondContact N-O 2.9Å; F48-K63 WeakPolarHBondContact CA-O 3.18Å; F48-K63 HydrophobicContact CD1-CB 4.06Å; F48-K63 HydrophobicContact CE1-CB 4.28Å; F48-K63 HydrophobicContact CE1-CD 4.22Å; F48-I65 HydrophobicContact CB-CD1 3.93Å; F48-I65 HydrophobicContact CD1-CD1 3.75Å; F48-I65 HydrophobicContact CD1-CG1 4.28Å; F48-I65 HydrophobicContact CG-CD1 4.04Å; F48-F96 HydrophobicContact CB-CE1 4.38Å; F48-F96 HydrophobicContact CB-CZ 4.23Å; F48-F96 HydrophobicContact CD1-CZ 4.09Å; F48-F96 AromaticContact CD2-CE1 3.95Å; F48-F96 HydrophobicContact CD2-CE1 3.95Å; F48-F96 AromaticContact CD2-CZ 3.77Å; F48-F96 HydrophobicContact CD2-CZ 3.77Å; F48-F96 HydrophobicContact CE1-CZ 4.4Å; F48-F96 HydrophobicContact CE2-CE1 4.49Å; F48-F96 HydrophobicContact CE2-CZ 4.1Å; F48-F96 HydrophobicContact CG-CE1 4.17Å; F48-F96 AromaticContact CG-CZ 3.75Å; F48-F96 HydrophobicContact CG-CZ 3.75Å; F48-F96 HydrophobicContact CZ-CZ 4.4Å; F48-F100 HydrophobicContact CE2-CB 3.87Å; F48-F100 HydrophobicContact CE2-CD1 4.25Å; F48-F100 HydrophobicContact CE2-CG 4.14Å; F48-F100 HydrophobicContact CZ-CB 4.39Å; F48-F100 AromaticContact CZ-CD1 3.91Å; F48-F100 HydrophobicContact CZ-CD1 3.91Å; F48-F100 HydrophobicContact CZ-CG 4.19Å
49	A	92.9	Very high	90.4	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.4	172.2	0	0	0	0	0	109.9	V24 I56 K63 C64 I65	V24-A49 WeakPolarHBondContact O-CA 3.45Å; A49-I56 HydrophobicContact CB-CG2 3.53Å; A49-K63 PolarHBondContact N-O 3.44Å; A49-C64 CarbonylContact O-C 3.53Å; A49-C64 VanDerWaalsContact O-CA 3.29Å; A49-C64 WeakPolarHBondContact O-CA 3.42Å; A49-I65 PolarHBondContact O-N 3.39Å
50	S	92	Very high	90.2	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	120	-178.2	-173.4	0	0	0	0	111.7	V24 G26 G52 I65 L87	V24-S50 PolarHBondContact O-N 3.25Å; G26-S50 PolarHBondContact N-O 3.39Å; G26-S50 CarbonylContact O-C 3.53Å; G26-S50 VanDerWaalsContact O-C 3.27Å; S50-G52 VanDerWaalsContact C-N 3.28Å; S50-I65 PolarHBondContact OG-O 3.34Å; S50-L87 WeakPolarHBondContact O-CD1 3.43Å
51	P	90.6	Very high	90.4	Very high	62 Å²	62	33 Å²	33	40%	0.403	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-71.6	-14.3	-5	31.2	-37.5	0	0	0	114.6	G26 I65	G26-P51 VanDerWaalsContact O-CD 3.31Å; G26-P51 WeakPolarHBondContact O-CD 3.32Å; P51-I65 WeakPolarHBondContact CA-O 3.15Å
52	G	90.7	Very high	90.4	Very high	11 Å²	11	34.2 Å²	34.2	11%	0.113	22%	0.223	C	C	.	.			trans	66.2	-170.8	-167	0	0	0	0	0	113.1	G26 S50	G26-G52 WeakPolarHBondContact O-CA 3.44Å; G26-G52 PolarHBondContact O-N 2.98Å; S50-G52 VanDerWaalsContact C-N 3.28Å
53	N	93.2	Very high	90.6	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	21%	0.207	C	C	.	.			trans	-144.6	-174.8	174.8	65.7	37.7	0	0	0	110.2	G27 G28 G55 I56 A57 H426 C427	G27-N53 WeakPolarHBondContact O-CB 3.41Å; G27-N53 PolarHBondContact O-ND2 3.16Å; G28-N53 PolarHBondContact O-ND2 3.39Å; N53-G55 PolarHBondContact OD1-N 3.38Å; N53-I56 PolarHBondContact OD1-N 3.35Å; N53-A57 PolarHBondContact O-N 3.48Å; N53-H426 PolarHBondContact ND2-O 3.33Å; N53-C427 PolarHBondContact ND2-O 2.79Å; N53-C427 VanDerWaalsContact ND2-O 3.14Å
54	A	92.7	Very high	90.5	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.017	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-43.5	-177.9	0	0	0	0	0	112.8	A57 L58 T429 V431 I437	A54-A57 PolarHBondContact O-N 3.44Å; A54-L58 WeakPolarHBondContact O-CG 3.44Å; A54-L58 PolarHBondContact O-N 2.89Å; A54-T429 WeakPolarHBondContact CB-OG1 3.46Å; A54-T429 PolarHBondContact N-O 3.07Å; A54-T429 PolarHBondContact N-OG1 2.87Å; A54-V431 HydrophobicContact CB-CG2 3.86Å; A54-I437 HydrophobicContact CB-CD1 4.48Å; A54-I437 HydrophobicContact CB-CG1 4.35Å; A54-I437 HydrophobicContact CB-CG2 3.89Å
55	G	90.5	Very high	90.1	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.031	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-43.8	-179.9	0	0	0	0	0	112.6	N53 A57 L58 H426	N53-G55 PolarHBondContact OD1-N 3.38Å; G55-A57 PolarHBondContact O-N 2.58Å; G55-L58 WeakPolarHBondContact O-CB 3.3Å; G55-L58 PolarHBondContact O-N 3.14Å; G55-H426 PolarHBondContact N-ND1 2.81Å
56	I	91.5	Very high	89.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-56.4	-40.7	174.3	-64.7	165.6	0	0	0	110.7	E31 H32 T35 A49 N53 L58 L59 T62	E31-I56 HydrophobicContact CB-CD1 4.34Å; H32-I56 HydrophobicContact CB-CD1 4.12Å; H32-I56 HydrophobicContact CB-CG1 3.71Å; T35-I56 HydrophobicContact CG2-CG2 4.02Å; A49-I56 HydrophobicContact CB-CG2 3.53Å; N53-I56 PolarHBondContact OD1-N 3.35Å; I56-L58 PolarHBondContact O-N 2.55Å; I56-L59 WeakPolarHBondContact O-CB 3.44Å; I56-L59 PolarHBondContact O-N 3.16Å; I56-T62 PolarHBondContact O-OG1 2.89Å
57	A	89.7	Confident	87.4	Confident	50 Å²	50	43 Å²	43	41%	0.413	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-67.8	-13.8	179.5	0	0	0	0	0	114.7	N53 A54 G55 C64	N53-A57 PolarHBondContact O-N 3.48Å; A54-A57 PolarHBondContact O-N 3.44Å; G55-A57 PolarHBondContact O-N 2.58Å; A57-C64 HydrophobicContact CB-CB 4.39Å
58	L	88.4	Confident	85.2	Confident	126 Å²	126	49.6 Å²	49.6	66%	0.66	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-90.7	-13.5	175.5	-64	171.2	0	0	0	112.8	A54 G55 I56 I437	A54-L58 WeakPolarHBondContact O-CG 3.44Å; A54-L58 PolarHBondContact O-N 2.89Å; G55-L58 WeakPolarHBondContact O-CB 3.3Å; G55-L58 PolarHBondContact O-N 3.14Å; I56-L58 PolarHBondContact O-N 2.55Å; L58-I437 HydrophobicContact CD1-CD1 4.05Å
59	L	87	Confident	82.1	Confident	17 Å²	17	55.7 Å²	55.7	9%	0.089	28%	0.283	C	S	.	.	S	Bend	trans	-74.9	138.6	-177.1	-66.2	-177.2	0	0	0	112.1	T35 H36 V39 I56 T62	T35-L59 HydrophobicContact CG2-CD1 3.94Å; H36-L59 HydrophobicContact CB-CD1 3.82Å; V39-L59 HydrophobicContact CG2-CB 4.3Å; I56-L59 WeakPolarHBondContact O-CB 3.44Å; I56-L59 PolarHBondContact O-N 3.16Å; L59-T62 HydrophobicContact CB-CG2 3.54Å; L59-T62 HydrophobicContact CD1-CG2 4.5Å; L59-T62 WeakPolarHBondContact O-CB 3.47Å; L59-T62 WeakPolarHBondContact O-CG2 3.32Å; L59-T62 PolarHBondContact O-N 3.32Å; L59-T62 PolarHBondContact O-OG1 3.24Å
60	P	85.2	Confident	79	Confident	87 Å²	87	64.4 Å²	64.4	57%	0.565	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	155.7	178	27	-32	0	0	0	111.2	V39 T62	V39-P60 HydrophobicContact CG1-CG 3.79Å; V39-P60 VanDerWaalsContact CG2-O 3.23Å; V39-P60 WeakPolarHBondContact CG2-O 3.43Å; P60-T62 PolarHBondContact O-N 3.31Å; P60-T62 VanDerWaalsContact O-N 3.12Å
61	K	86.9	Confident	76.1	Confident	92 Å²	92	69.5 Å²	69.5	40%	0.4	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-2.1	-170.8	-47.6	175.5	179.7	175.2	0	115.7	V39 S41 V44 I47	V39-K61 WeakPolarHBondContact O-CE 3.12Å; V39-K61 PolarHBondContact O-NZ 3.12Å; S41-K61 PolarHBondContact O-NZ 3.13Å; V44-K61 WeakPolarHBondContact O-CD 3.27Å; V44-K61 WeakPolarHBondContact O-CE 3.4Å; V44-K61 PolarHBondContact O-NZ 2.68Å; I47-K61 PolarHBondContact N-O 3.48Å
62	T	88.5	Confident	73.1	Confident	25 Å²	25	72.9 Å²	72.9	15%	0.153	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	157.5	-174.1	78	0	0	0	0	114.5	T35 V39 I47 I56 L59 P60	T35-T62 HydrophobicContact CG2-CG2 3.61Å; V39-T62 HydrophobicContact CG2-CG2 3.76Å; I47-T62 HydrophobicContact CB-CG2 4.28Å; I47-T62 HydrophobicContact CD1-CG2 4.45Å; I47-T62 CarbonylContact O-C 3.45Å; I47-T62 WeakPolarHBondContact O-CA 3.38Å; I56-T62 PolarHBondContact O-OG1 2.89Å; L59-T62 HydrophobicContact CB-CG2 3.54Å; L59-T62 HydrophobicContact CD1-CG2 4.5Å; L59-T62 WeakPolarHBondContact O-CB 3.47Å; L59-T62 WeakPolarHBondContact O-CG2 3.32Å; L59-T62 PolarHBondContact O-N 3.32Å; L59-T62 PolarHBondContact O-OG1 3.24Å; P60-T62 PolarHBondContact O-N 3.31Å; P60-T62 VanDerWaalsContact O-N 3.12Å
63	K	90.2	Very high	70.2	Confident	101 Å²	101	78.8 Å²	78.8	44%	0.439	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	118.5	168.1	-172.7	171.9	-177.2	176.6	0	111.2	I47 F48 A49	I47-K63 PolarHBondContact O-N 3.23Å; F48-K63 WeakPolarHBondContact CA-O 3.18Å; F48-K63 HydrophobicContact CD1-CB 4.06Å; F48-K63 HydrophobicContact CE1-CB 4.28Å; F48-K63 HydrophobicContact CE1-CD 4.22Å; A49-K63 PolarHBondContact N-O 3.44Å
64	C	88	Confident	67	Low	29 Å²	29	88.2 Å²	88.2	20%	0.196	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	137	173.1	-69.5	0	0	0	0	111.5	A49 A57	A49-C64 CarbonylContact O-C 3.53Å; A49-C64 VanDerWaalsContact O-CA 3.29Å; A49-C64 WeakPolarHBondContact O-CA 3.42Å; A57-C64 HydrophobicContact CB-CB 4.39Å
65	I	83.8	Confident	64	Low	3 Å²	3	93 Å²	93	2%	0.015	49%	0.491	C	S	.	.			trans	-116.4	119.9	-179.3	-53.7	-179.2	0	0	0	109	F48 A49 S50 P51 L83 L85 F96	F48-I65 HydrophobicContact CB-CD1 3.93Å; F48-I65 HydrophobicContact CD1-CD1 3.75Å; F48-I65 HydrophobicContact CD1-CG1 4.28Å; F48-I65 HydrophobicContact CG-CD1 4.04Å; A49-I65 PolarHBondContact O-N 3.39Å; S50-I65 PolarHBondContact OG-O 3.34Å; P51-I65 WeakPolarHBondContact CA-O 3.15Å; I65-L83 WeakPolarHBondContact CG2-O 3.47Å; I65-L85 HydrophobicContact CG2-CB 3.64Å; I65-F96 HydrophobicContact CD1-CD2 4.48Å; I65-F96 HydrophobicContact CD1-CE1 4.24Å; I65-F96 HydrophobicContact CD1-CE2 3.45Å; I65-F96 VanDerWaalsContact CD1-CE2 3.45Å; I65-F96 HydrophobicContact CD1-CZ 3.31Å
66	R	68.7	Low	61	Low	120 Å²	120	99.7 Å²	99.7	45%	0.453	53%	0.531	S	S	.	.			trans	-114.9	153.2	-178.3	-62.7	-175.7	-177.1	169.1	6.1	111.3	A84	R66-A84 WeakPolarHBondContact O-CA 3.48Å
67	R	55.8	Low	57.9	Low	147 Å²	147	105.6 Å²	105.6	56%	0.555	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-78.8	120.2	176.1	-174.3	-174.8	-171.6	129.6	16.4	110	D86	R67-D86 VanDerWaalsContact CZ-CG 3.44Å; R67-D86 IonicContact CZ-OD1 2.68Å; R67-D86 IonicContact CZ-OD2 2.68Å; R67-D86 IonicContact NH1-OD1 2.73Å; R67-D86 PolarHBondContact NH1-OD1 3.31Å; R67-D86 IonicContact NH1-OD2 3.43Å; R67-D86 PolarHBondContact NH1-OD2 2.93Å; R67-D86 IonicContact NH2-OD1 2.71Å; R67-D86 IonicContact NH2-OD2 3.17Å; R67-D86 PolarHBondContact NH2-OD2 3.2Å
68	H	47.5	Very low	55	Low	138 Å²	138	108.6 Å²	108.6	64%	0.639	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-69.7	131	168.5	-102.4	-76	0	0	0	110.8
69	I	30.9	Very low	52.2	Low	150 Å²	150	112.4 Å²	112.4	77%	0.769	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-88.2	138.3	165.4	-61.8	173.2	0	0	0	107.6
70	H	27.9	Very low	49.7	Very low	184 Å²	184	118.4 Å²	118.4	85%	0.852	62%	0.622	S	S	*	*			trans	-21.3	121.6	-175.5	-80.7	-82.2	0	0	0	118.2
71	S	31.5	Very low	47.3	Very low	108 Å²	108	121.4 Å²	121.4	76%	0.755	63%	0.629	S	S	*	*			trans	-145.2	119.9	143.3	66.3	0	0	0	0	110.7	C73	S71-C73 PolarHBondContact O-N 3.41Å
72	T	27.6	Very low	45.1	Very low	133 Å²	133	122.8 Å²	122.8	82%	0.816	65%	0.645	S	S	*	*			trans	-78.7	110.5	175.7	44.8	0	0	0	0	111
73	C	29.7	Very low	43.4	Very low	136 Å²	136	123.7 Å²	123.7	92%	0.919	65%	0.648	S	S	*	*			trans	-156.9	144.7	153.7	-108.8	0	0	0	0	111.1	S71	S71-C73 PolarHBondContact O-N 3.41Å
74	F	25.8	Very low	41.9	Very low	202 Å²	202	121.6 Å²	121.6	89%	0.886	65%	0.65	S	S	*	*			trans	-114.6	129.2	-169.5	-139	-95.3	0	0	0	108.4
75	S	28.9	Very low	41.5	Very low	101 Å²	101	120.6 Å²	120.6	71%	0.706	64%	0.642	S	S	*	*			trans	166.1	103.3	138.4	60.4	0	0	0	0	114.6	V77	S75-V77 PolarHBondContact O-N 2.93Å
76	V	26.6	Very low	41.5	Very low	145 Å²	145	122.3 Å²	122.3	88%	0.879	65%	0.651	S	S	*	*			trans	30.6	56	136	-153.5	0	0	0	0	119.8
77	V	27.5	Very low	42.3	Very low	123 Å²	123	117.3 Å²	117.3	75%	0.745	63%	0.634	S	S	*	*	S	Bend	trans	-147.2	142.5	152.6	-165.7	0	0	0	0	109	S75	S75-V77 PolarHBondContact O-N 2.93Å
78	N	28.4	Very low	43.6	Very low	113 Å²	113	116.5 Å²	116.5	60%	0.604	64%	0.641	S	S	*	*			trans	62.2	87.7	174	-65.7	-14.1	0	0	0	118.7	L80	N78-L80 PolarHBondContact O-N 3.45Å
79	Q	29.2	Very low	45.5	Very low	207 Å²	207	113 Å²	113	97%	0.967	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	10	177.6	-85	-178.3	-26.9	0	0	117.2
80	L	34.7	Very low	48.3	Very low	142 Å²	142	108.3 Å²	108.3	74%	0.743	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	-0.6	-173.1	-81	166.2	0	0	0	115.9	N78	N78-L80 PolarHBondContact O-N 3.45Å
81	Q	35.1	Very low	51.3	Low	151 Å²	151	104.8 Å²	104.8	71%	0.706	58%	0.584	S	S	*	*	S	Bend	trans	-104.5	-5.6	-167.7	-78.3	-179.6	-51	0	0	117.1
82	T	40.1	Very low	53.9	Low	120 Å²	120	101.3 Å²	101.3	74%	0.736	56%	0.562	S	S	*	*			trans	-121.3	71	177.5	53.8	0	0	0	0	112.6	A84	T82-A84 PolarHBondContact O-N 2.94Å
83	L	53.5	Low	56.8	Low	45 Å²	45	95 Å²	95	24%	0.236	52%	0.523	C	S	.	.			trans	-84.9	95.9	171.2	-93.4	166.9	0	0	0	110.4	I65 F96 F100	I65-L83 WeakPolarHBondContact CG2-O 3.47Å; L83-F96 HydrophobicContact CD2-CD2 4.3Å; L83-F96 HydrophobicContact CD2-CE2 3.8Å; L83-F100 HydrophobicContact CD1-CZ 4.09Å; L83-F100 HydrophobicContact CD2-CE2 3.58Å; L83-F100 HydrophobicContact CD2-CZ 3.58Å; L83-F100 HydrophobicContact CG-CZ 4.29Å
84	A	59.7	Low	59.8	Low	56 Å²	56	88.8 Å²	88.8	46%	0.463	48%	0.481	S	S	.	.			trans	-116.6	131.2	171.2	0	0	0	0	0	110	R66 T82	R66-A84 WeakPolarHBondContact O-CA 3.48Å; T82-A84 PolarHBondContact O-N 2.94Å
85	L	79.2	Confident	62.7	Low	9 Å²	9	82 Å²	82	5%	0.047	46%	0.462	C	S	.	.			trans	-120.4	119	178.2	-175.1	61.1	0	0	0	110	L23 I65 L87 V93 F96	L23-L85 HydrophobicContact CD1-CD2 4.5Å; L23-L85 HydrophobicContact CD2-CD2 4.49Å; I65-L85 HydrophobicContact CG2-CB 3.64Å; L85-L87 HydrophobicContact CD2-CD2 3.96Å; L85-L87 HydrophobicContact CG-CD2 4.15Å; L85-V93 HydrophobicContact CD1-CB 4.4Å; L85-V93 HydrophobicContact CD1-CG2 3.81Å; L85-V93 HydrophobicContact CD2-CG2 4.41Å; L85-V93 HydrophobicContact CG-CG2 4.2Å; L85-F96 HydrophobicContact CD1-CB 3.88Å; L85-F96 HydrophobicContact CD1-CD2 4.43Å; L85-F96 HydrophobicContact CD1-CG 4.16Å; L85-F96 HydrophobicContact CD2-CD1 4.4Å; L85-F96 HydrophobicContact CD2-CG 4.34Å
86	D	82.5	Confident	65.6	Low	38 Å²	38	77.9 Å²	77.9	20%	0.203	43%	0.432	C	S	.	.			trans	-90.7	104.4	171.6	-174.5	2.8	0	0	0	110.1	R67 N88 N89	R67-D86 VanDerWaalsContact CZ-CG 3.44Å; R67-D86 IonicContact CZ-OD1 2.68Å; R67-D86 IonicContact CZ-OD2 2.68Å; R67-D86 IonicContact NH1-OD1 2.73Å; R67-D86 PolarHBondContact NH1-OD1 3.31Å; R67-D86 IonicContact NH1-OD2 3.43Å; R67-D86 PolarHBondContact NH1-OD2 2.93Å; R67-D86 IonicContact NH2-OD1 2.71Å; R67-D86 IonicContact NH2-OD2 3.17Å; R67-D86 PolarHBondContact NH2-OD2 3.2Å; D86-N88 PolarHBondContact O-N 2.98Å; D86-N88 VanDerWaalsContact O-N 3.17Å; D86-N88 WeakPolarHBondContact OD1-CB 3.47Å; D86-N88 PolarHBondContact OD1-N 2.81Å; D86-N88 PolarHBondContact OD1-ND2 2.8Å; D86-N89 HydrophobicContact CB-CB 4.16Å; D86-N89 PolarHBondContact O-N 2.73Å
87	L	85.8	Confident	68.8	Low	16 Å²	16	71.1 Å²	71.1	8%	0.084	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.3	179	-61	177.1	0	0	0	114	I25 S50 L85 N89 V93 Y112 F117	I25-L87 HydrophobicContact CD1-CD2 3.84Å; I25-L87 HydrophobicContact CG2-CD1 4.22Å; I25-L87 HydrophobicContact CG2-CD2 4.44Å; S50-L87 WeakPolarHBondContact O-CD1 3.43Å; L85-L87 HydrophobicContact CD2-CD2 3.96Å; L85-L87 HydrophobicContact CG-CD2 4.15Å; L87-N89 VanDerWaalsContact C-N 3.27Å; L87-V93 HydrophobicContact CD2-CG2 4.26Å; L87-Y112 HydrophobicContact CB-CE1 3.71Å; L87-Y112 WeakPolarHBondContact CB-OH 3.48Å; L87-Y112 WeakPolarHBondContact CD1-OH 3.49Å; L87-F117 WeakPolarHBondContact O-CE2 3.39Å
88	N	84.2	Confident	71.7	Confident	130 Å²	130	70.8 Å²	70.8	70%	0.695	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.1	172.2	-53.2	-80.3	0	0	0	112.4	D86	D86-N88 PolarHBondContact O-N 2.98Å; D86-N88 VanDerWaalsContact O-N 3.17Å; D86-N88 WeakPolarHBondContact OD1-CB 3.47Å; D86-N88 PolarHBondContact OD1-N 2.81Å; D86-N88 PolarHBondContact OD1-ND2 2.8Å
89	N	87.5	Confident	74.5	Confident	63 Å²	63	71.8 Å²	71.8	34%	0.337	38%	0.38	S	S	.	.			trans	-113.3	98.8	-178	-175.4	-37.6	0	0	0	109.7	D86 L87 E91 A92 V93	D86-N89 HydrophobicContact CB-CB 4.16Å; D86-N89 PolarHBondContact O-N 2.73Å; L87-N89 VanDerWaalsContact C-N 3.27Å; N89-E91 VanDerWaalsContact C-N 3.3Å; N89-E91 PolarHBondContact O-N 3.42Å; N89-E91 WeakPolarHBondContact OD1-CB 3.36Å; N89-E91 PolarHBondContact OD1-N 2.96Å; N89-E91 PolarHBondContact OD1-OE2 3.18Å; N89-A92 HydrophobicContact CB-CB 3.96Å; N89-A92 PolarHBondContact O-N 3.2Å; N89-A92 WeakPolarHBondContact OD1-CB 3.43Å; N89-A92 PolarHBondContact OD1-N 2.88Å; N89-V93 WeakPolarHBondContact O-CG2 3.3Å; N89-V93 PolarHBondContact O-N 2.86Å; N89-V93 VanDerWaalsContact O-N 3.14Å
90	K	89.9	Confident	77.2	Confident	53 Å²	53	64.4 Å²	64.4	23%	0.23	35%	0.345	C	S	.	.	H	α-helix	trans	-67.5	-32.1	-174.6	-57.4	-175.6	-178.1	177.5	0	112.1	V93 C94 S115 G116 F117 Y120	K90-V93 PolarHBondContact O-N 3.41Å; K90-C94 WeakPolarHBondContact O-CB 3.31Å; K90-C94 PolarHBondContact O-N 3.23Å; K90-S115 PolarHBondContact NZ-O 3.47Å; K90-G116 VanDerWaalsContact NZ-C 3.3Å; K90-G116 PolarHBondContact NZ-O 2.84Å; K90-F117 HydrophobicContact CG-CD2 4Å; K90-F117 HydrophobicContact CG-CE2 4.38Å; K90-Y120 VanDerWaalsContact C-CE1 3.48Å; K90-Y120 HydrophobicContact CB-CD1 3.52Å; K90-Y120 HydrophobicContact CB-CD2 4.12Å; K90-Y120 HydrophobicContact CB-CE1 3.68Å; K90-Y120 HydrophobicContact CB-CE2 4.24Å; K90-Y120 HydrophobicContact CB-CG 3.78Å; K90-Y120 HydrophobicContact CD-CD1 4.34Å; K90-Y120 HydrophobicContact CD-CD2 4.04Å; K90-Y120 HydrophobicContact CD-CG 3.79Å; K90-Y120 HydrophobicContact CG-CG 4.44Å; K90-Y120 VanDerWaalsContact O-CE1 3.27Å; K90-Y120 WeakPolarHBondContact O-CE1 3.3Å
91	E	88.9	Confident	79.9	Confident	109 Å²	109	66.6 Å²	66.6	51%	0.509	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-48.3	173.3	-66.1	59.7	-150.1	0	0	110.6	N89 V93 C94 A95 Y120	N89-E91 VanDerWaalsContact C-N 3.3Å; N89-E91 PolarHBondContact O-N 3.42Å; N89-E91 WeakPolarHBondContact OD1-CB 3.36Å; N89-E91 PolarHBondContact OD1-N 2.96Å; N89-E91 PolarHBondContact OD1-OE2 3.18Å; E91-V93 PolarHBondContact O-N 3.09Å; E91-C94 PolarHBondContact O-N 3.01Å; E91-A95 WeakPolarHBondContact O-CB 3.42Å; E91-A95 PolarHBondContact O-N 2.85Å; E91-Y120 VanDerWaalsContact CG-OH 3.28Å; E91-Y120 WeakPolarHBondContact CG-OH 3.49Å; E91-Y120 VanDerWaalsContact OE1-CE2 3.29Å; E91-Y120 WeakPolarHBondContact OE1-CE2 3.23Å; E91-Y120 PolarHBondContact OE1-OH 2.82Å; E91-Y120 VanDerWaalsContact OE1-OH 3.1Å
92	A	86.9	Confident	82.6	Confident	35 Å²	35	60 Å²	60	29%	0.289	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-39.8	178.1	0	0	0	0	0	112	N89 A95 F96	N89-A92 HydrophobicContact CB-CB 3.96Å; N89-A92 PolarHBondContact O-N 3.2Å; N89-A92 WeakPolarHBondContact OD1-CB 3.43Å; N89-A92 PolarHBondContact OD1-N 2.88Å; A92-A95 PolarHBondContact O-N 2.91Å; A92-F96 WeakPolarHBondContact O-CB 3.47Å; A92-F96 PolarHBondContact O-N 2.82Å
93	V	89.7	Confident	85.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.5	-43.2	174.7	-179	0	0	0	0	111.5	L23 L85 L87 N89 K90 E91 A95 F96 C97 F117 L121	L23-V93 HydrophobicContact CD2-CG1 4.18Å; L85-V93 HydrophobicContact CD1-CB 4.4Å; L85-V93 HydrophobicContact CD1-CG2 3.81Å; L85-V93 HydrophobicContact CD2-CG2 4.41Å; L85-V93 HydrophobicContact CG-CG2 4.2Å; L87-V93 HydrophobicContact CD2-CG2 4.26Å; N89-V93 WeakPolarHBondContact O-CG2 3.3Å; N89-V93 PolarHBondContact O-N 2.86Å; N89-V93 VanDerWaalsContact O-N 3.14Å; K90-V93 PolarHBondContact O-N 3.41Å; E91-V93 PolarHBondContact O-N 3.09Å; V93-A95 VanDerWaalsContact C-N 3.33Å; V93-A95 PolarHBondContact O-N 2.93Å; V93-F96 WeakPolarHBondContact O-CB 3.44Å; V93-F96 PolarHBondContact O-N 3.42Å; V93-C97 PolarHBondContact O-N 2.89Å; V93-C97 PolarHBondContact O-SG 2.88Å; V93-F117 HydrophobicContact CB-CZ 4.01Å; V93-F117 HydrophobicContact CG1-CE1 4.04Å; V93-F117 HydrophobicContact CG1-CZ 3.7Å; V93-F117 HydrophobicContact CG2-CE2 4.14Å; V93-F117 HydrophobicContact CG2-CZ 3.75Å; V93-L121 HydrophobicContact CG1-CD1 4.29Å; V93-L121 HydrophobicContact CG1-CD2 4.29Å
94	C	90.8	Very high	87.3	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-39.9	175.6	-171.5	0	0	0	0	112.3	K90 E91 C97 K98 Y120 L121 R124	K90-C94 WeakPolarHBondContact O-CB 3.31Å; K90-C94 PolarHBondContact O-N 3.23Å; E91-C94 PolarHBondContact O-N 3.01Å; C94-C97 PolarHBondContact O-N 2.97Å; C94-K98 WeakPolarHBondContact O-CG 3.47Å; C94-K98 PolarHBondContact O-N 2.88Å; C94-K98 VanDerWaalsContact O-N 3.07Å; C94-Y120 HydrophobicContact CB-CE1 3.93Å; C94-L121 HydrophobicContact CB-CD2 3.73Å; C94-R124 VanDerWaalsContact SG-CD 3.53Å
95	A	88	Confident	89.1	Confident	59 Å²	59	53 Å²	53	49%	0.488	27%	0.266	S	S	.	.	H	α-helix	trans	-64.2	-42.8	174.5	0	0	0	0	0	111.7	E91 A92 V93 K98 H99	E91-A95 WeakPolarHBondContact O-CB 3.42Å; E91-A95 PolarHBondContact O-N 2.85Å; A92-A95 PolarHBondContact O-N 2.91Å; V93-A95 VanDerWaalsContact C-N 3.33Å; V93-A95 PolarHBondContact O-N 2.93Å; A95-K98 PolarHBondContact O-N 2.95Å; A95-H99 WeakPolarHBondContact O-CB 3.15Å; A95-H99 PolarHBondContact O-N 2.87Å
96	F	90.4	Very high	89.9	Confident	16 Å²	16	52.7 Å²	52.7	7%	0.07	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-51.6	173.3	177.8	-84.5	0	0	0	111.4	L23 F48 I65 L83 L85 A92 V93 K98 H99 F100 V102	L23-F96 HydrophobicContact CD1-CE1 4.23Å; L23-F96 HydrophobicContact CD2-CD1 4.09Å; L23-F96 HydrophobicContact CD2-CE1 4.23Å; F48-F96 HydrophobicContact CB-CE1 4.38Å; F48-F96 HydrophobicContact CB-CZ 4.23Å; F48-F96 HydrophobicContact CD1-CZ 4.09Å; F48-F96 AromaticContact CD2-CE1 3.95Å; F48-F96 HydrophobicContact CD2-CE1 3.95Å; F48-F96 AromaticContact CD2-CZ 3.77Å; F48-F96 HydrophobicContact CD2-CZ 3.77Å; F48-F96 HydrophobicContact CE1-CZ 4.4Å; F48-F96 HydrophobicContact CE2-CE1 4.49Å; F48-F96 HydrophobicContact CE2-CZ 4.1Å; F48-F96 HydrophobicContact CG-CE1 4.17Å; F48-F96 AromaticContact CG-CZ 3.75Å; F48-F96 HydrophobicContact CG-CZ 3.75Å; F48-F96 HydrophobicContact CZ-CZ 4.4Å; I65-F96 HydrophobicContact CD1-CD2 4.48Å; I65-F96 HydrophobicContact CD1-CE1 4.24Å; I65-F96 HydrophobicContact CD1-CE2 3.45Å; I65-F96 VanDerWaalsContact CD1-CE2 3.45Å; I65-F96 HydrophobicContact CD1-CZ 3.31Å; L83-F96 HydrophobicContact CD2-CD2 4.3Å; L83-F96 HydrophobicContact CD2-CE2 3.8Å; L85-F96 HydrophobicContact CD1-CB 3.88Å; L85-F96 HydrophobicContact CD1-CD2 4.43Å; L85-F96 HydrophobicContact CD1-CG 4.16Å; L85-F96 HydrophobicContact CD2-CD1 4.4Å; L85-F96 HydrophobicContact CD2-CG 4.34Å; A92-F96 WeakPolarHBondContact O-CB 3.47Å; A92-F96 PolarHBondContact O-N 2.82Å; V93-F96 WeakPolarHBondContact O-CB 3.44Å; V93-F96 PolarHBondContact O-N 3.42Å; F96-K98 VanDerWaalsContact C-N 3.27Å; F96-K98 PolarHBondContact O-N 3.2Å; F96-H99 PolarHBondContact O-N 3.29Å; F96-H99 VanDerWaalsContact O-N 3.13Å; F96-F100 HydrophobicContact CD1-CD2 4.28Å; F96-F100 AromaticContact CD2-CD2 3.46Å; F96-F100 HydrophobicContact CD2-CD2 3.46Å; F96-F100 VanDerWaalsContact CD2-CD2 3.46Å; F96-F100 AromaticContact CD2-CE2 3.63Å; F96-F100 HydrophobicContact CD2-CE2 3.63Å; F96-F100 HydrophobicContact CE1-CB 4.37Å; F96-F100 HydrophobicContact CE1-CD2 4.08Å; F96-F100 HydrophobicContact CE1-CG 4.49Å; F96-F100 AromaticContact CE2-CD2 3.22Å; F96-F100 HydrophobicContact CE2-CD2 3.22Å; F96-F100 AromaticContact CE2-CE2 3.4Å; F96-F100 HydrophobicContact CE2-CE2 3.4Å; F96-F100 VanDerWaalsContact CE2-CE2 3.4Å; F96-F100 HydrophobicContact CE2-CG 4.11Å; F96-F100 HydrophobicContact CE2-CZ 4.4Å; F96-F100 AromaticContact CG-CD2 3.97Å; F96-F100 HydrophobicContact CG-CD2 3.97Å; F96-F100 HydrophobicContact CZ-CB 4.33Å; F96-F100 AromaticContact CZ-CD2 3.55Å; F96-F100 HydrophobicContact CZ-CD2 3.55Å; F96-F100 HydrophobicContact CZ-CE2 4.14Å; F96-F100 HydrophobicContact CZ-CG 4.01Å; F96-F100 WeakPolarHBondContact O-CD2 3.46Å; F96-F100 PolarHBondContact O-N 2.87Å; F96-V102 HydrophobicContact CD1-CG2 4.42Å; F96-V102 HydrophobicContact CE1-CG2 4.09Å
97	C	91.8	Very high	90.5	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-38.5	179.3	-67.9	0	0	0	0	112.5	V93 C94 Y101 V102 V126	V93-C97 PolarHBondContact O-N 2.89Å; V93-C97 PolarHBondContact O-SG 2.88Å; C94-C97 PolarHBondContact O-N 2.97Å; C97-Y101 PolarHBondContact O-N 3.46Å; C97-V102 HydrophobicContact CB-CB 3.97Å; C97-V102 HydrophobicContact CB-CG2 4.33Å; C97-V102 PolarHBondContact O-N 2.84Å; C97-V126 HydrophobicContact CB-CG1 3.86Å; C97-V126 HydrophobicContact CB-CG2 3.92Å
98	K	89.3	Confident	90.7	Very high	117 Å²	117	50.6 Å²	50.6	51%	0.509	25%	0.253	S	S	.	.	H	α-helix	trans	-73.3	-34	176.8	-71.4	-178.6	179	-168.8	0	113.5	C94 A95 F96 R124	C94-K98 WeakPolarHBondContact O-CG 3.47Å; C94-K98 PolarHBondContact O-N 2.88Å; C94-K98 VanDerWaalsContact O-N 3.07Å; A95-K98 PolarHBondContact O-N 2.95Å; F96-K98 VanDerWaalsContact C-N 3.27Å; F96-K98 PolarHBondContact O-N 3.2Å; K98-R124 VanDerWaalsContact CE-O 3.28Å; K98-R124 WeakPolarHBondContact CE-O 3.28Å; K98-R124 PolarHBondContact NZ-O 3.22Å
99	H	87.1	Confident	90.9	Very high	134 Å²	134	45.7 Å²	45.7	62%	0.62	23%	0.228	S	C	*	.	H	α-helix	trans	-75	-37.8	179.3	-174.4	91.2	0	0	0	112.5	A95 F96	A95-H99 WeakPolarHBondContact O-CB 3.15Å; A95-H99 PolarHBondContact O-N 2.87Å; F96-H99 PolarHBondContact O-N 3.29Å; F96-H99 VanDerWaalsContact O-N 3.13Å
100	F	86.8	Confident	90.7	Very high	51 Å²	51	43.2 Å²	43.2	22%	0.224	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	12.2	-179.4	-70	-74.5	0	0	0	114.1	F48 L83 F96 V102	F48-F100 HydrophobicContact CE2-CB 3.87Å; F48-F100 HydrophobicContact CE2-CD1 4.25Å; F48-F100 HydrophobicContact CE2-CG 4.14Å; F48-F100 HydrophobicContact CZ-CB 4.39Å; F48-F100 AromaticContact CZ-CD1 3.91Å; F48-F100 HydrophobicContact CZ-CD1 3.91Å; F48-F100 HydrophobicContact CZ-CG 4.19Å; L83-F100 HydrophobicContact CD1-CZ 4.09Å; L83-F100 HydrophobicContact CD2-CE2 3.58Å; L83-F100 HydrophobicContact CD2-CZ 3.58Å; L83-F100 HydrophobicContact CG-CZ 4.29Å; F96-F100 HydrophobicContact CD1-CD2 4.28Å; F96-F100 AromaticContact CD2-CD2 3.46Å; F96-F100 HydrophobicContact CD2-CD2 3.46Å; F96-F100 VanDerWaalsContact CD2-CD2 3.46Å; F96-F100 AromaticContact CD2-CE2 3.63Å; F96-F100 HydrophobicContact CD2-CE2 3.63Å; F96-F100 HydrophobicContact CE1-CB 4.37Å; F96-F100 HydrophobicContact CE1-CD2 4.08Å; F96-F100 HydrophobicContact CE1-CG 4.49Å; F96-F100 AromaticContact CE2-CD2 3.22Å; F96-F100 HydrophobicContact CE2-CD2 3.22Å; F96-F100 AromaticContact CE2-CE2 3.4Å; F96-F100 HydrophobicContact CE2-CE2 3.4Å; F96-F100 VanDerWaalsContact CE2-CE2 3.4Å; F96-F100 HydrophobicContact CE2-CG 4.11Å; F96-F100 HydrophobicContact CE2-CZ 4.4Å; F96-F100 AromaticContact CG-CD2 3.97Å; F96-F100 HydrophobicContact CG-CD2 3.97Å; F96-F100 HydrophobicContact CZ-CB 4.33Å; F96-F100 AromaticContact CZ-CD2 3.55Å; F96-F100 HydrophobicContact CZ-CD2 3.55Å; F96-F100 HydrophobicContact CZ-CE2 4.14Å; F96-F100 HydrophobicContact CZ-CG 4.01Å; F96-F100 WeakPolarHBondContact O-CD2 3.46Å; F96-F100 PolarHBondContact O-N 2.87Å; F100-V102 VanDerWaalsContact C-N 3.28Å; F100-V102 HydrophobicContact CB-CG2 4.24Å; F100-V102 PolarHBondContact O-N 2.94Å
101	Y	90.4	Very high	90.4	Very high	188 Å²	188	43.6 Å²	43.6	74%	0.737	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	47.2	179	-57.6	-89.2	0	0	0	112.8	C97 D103	C97-Y101 PolarHBondContact O-N 3.46Å; Y101-D103 PolarHBondContact O-N 3.38Å
102	V	93	Very high	90.5	Very high	12 Å²	12	40.7 Å²	40.7	7%	0.073	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	109.9	-179.4	176.1	0	0	0	0	109.8	T21 L23 F96 C97 F100 L104 V105	T21-V102 HydrophobicContact CG2-CG2 4.07Å; T21-V102 CarbonylContact O-C 3.51Å; T21-V102 WeakPolarHBondContact O-CA 3.1Å; L23-V102 HydrophobicContact CB-CG1 3.71Å; L23-V102 HydrophobicContact CB-CG2 4.37Å; F96-V102 HydrophobicContact CD1-CG2 4.42Å; F96-V102 HydrophobicContact CE1-CG2 4.09Å; C97-V102 HydrophobicContact CB-CB 3.97Å; C97-V102 HydrophobicContact CB-CG2 4.33Å; C97-V102 PolarHBondContact O-N 2.84Å; F100-V102 VanDerWaalsContact C-N 3.28Å; F100-V102 HydrophobicContact CB-CG2 4.24Å; F100-V102 PolarHBondContact O-N 2.94Å; V102-L104 VanDerWaalsContact CG1-O 3.31Å; V102-L104 WeakPolarHBondContact CG1-O 3.43Å; V102-V105 HydrophobicContact CG1-CG2 3.97Å
103	D	95.6	Very high	90.6	Very high	75 Å²	75	39.1 Å²	39.1	40%	0.401	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-27.5	179.5	-61.1	-75.7	0	0	0	113.2	A20 T21 Y101 K127	A20-D103 WeakPolarHBondContact CA-OD2 3.3Å; A20-D103 HydrophobicContact CB-CB 4.14Å; A20-D103 WeakPolarHBondContact CB-OD2 3.4Å; T21-D103 PolarHBondContact N-OD2 3.01Å; T21-D103 PolarHBondContact O-N 3.37Å; Y101-D103 PolarHBondContact O-N 3.38Å; D103-K127 WeakPolarHBondContact O-CB 3.04Å
104	L	96.6	Very high	90.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	130.3	-179.3	-173.7	65.3	0	0	0	112.2	V22 L23 V102 V106 K127 F129 Y365 M368 V372	V22-L104 CarbonylContact C-O 3.55Å; V22-L104 WeakPolarHBondContact CA-O 3.5Å; V22-L104 HydrophobicContact CG1-CB 4.43Å; V22-L104 WeakPolarHBondContact CG1-O 3.5Å; L23-L104 PolarHBondContact N-O 3.37Å; V102-L104 VanDerWaalsContact CG1-O 3.31Å; V102-L104 WeakPolarHBondContact CG1-O 3.43Å; L104-V106 HydrophobicContact CD2-CG2 3.91Å; L104-V106 HydrophobicContact CG-CG2 4.05Å; L104-K127 HydrophobicContact CD1-CB 4.28Å; L104-F129 HydrophobicContact CD1-CB 4.15Å; L104-Y365 HydrophobicContact CB-CE2 4.2Å; L104-Y365 HydrophobicContact CD2-CD2 4.16Å; L104-Y365 HydrophobicContact CD2-CE2 4.07Å; L104-M368 HydrophobicContact CD2-CB 3.81Å; L104-M368 HydrophobicContact CD2-SD 4.28Å; L104-V372 HydrophobicContact CD1-CG2 4.01Å
105	V	96.8	Very high	90.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125	167.4	-176.5	0	0	0	0	109.2	L23 I25 V102 I107 L121 V126 K127 C128 F129	L23-V105 HydrophobicContact CB-CG2 4.33Å; L23-V105 HydrophobicContact CD2-CG1 4.38Å; L23-V105 HydrophobicContact CD2-CG2 4.32Å; L23-V105 HydrophobicContact CG-CG1 4.48Å; L23-V105 CarbonylContact O-C 3.59Å; L23-V105 WeakPolarHBondContact O-CA 3.37Å; I25-V105 HydrophobicContact CD1-CG1 4.42Å; I25-V105 HydrophobicContact CG1-CG1 3.94Å; V102-V105 HydrophobicContact CG1-CG2 3.97Å; V105-I107 HydrophobicContact CG1-CG1 4.26Å; V105-L121 HydrophobicContact CG1-CD1 4.27Å; V105-L121 HydrophobicContact CG2-CD1 4.32Å; V105-V126 HydrophobicContact CG2-CG1 3.62Å; V105-K127 PolarHBondContact N-O 3.11Å; V105-C128 CarbonylContact O-C 3.58Å; V105-C128 WeakPolarHBondContact O-CA 3.37Å; V105-F129 PolarHBondContact O-N 2.8Å
106	V	96.3	Very high	90.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122	178.9	-177.6	0	0	0	0	108.8	V22 L23 V24 I25 I34 L38 L104 F129 M368	V22-V106 HydrophobicContact CG1-CG2 3.8Å; L23-V106 PolarHBondContact O-N 3.09Å; V24-V106 WeakPolarHBondContact CA-O 3.42Å; V24-V106 HydrophobicContact CG2-CB 4.45Å; I25-V106 PolarHBondContact N-O 3.22Å; I34-V106 HydrophobicContact CG2-CG1 3.97Å; L38-V106 HydrophobicContact CD1-CG2 4.4Å; L104-V106 HydrophobicContact CD2-CG2 3.91Å; L104-V106 HydrophobicContact CG-CG2 4.05Å; V106-F129 HydrophobicContact CG1-CD1 4.23Å; V106-F129 HydrophobicContact CG2-CB 4.35Å; V106-M368 HydrophobicContact CG1-CE 3.71Å; V106-M368 HydrophobicContact CG1-SD 4.15Å; V106-M368 HydrophobicContact CG2-CE 4.34Å; V106-M368 HydrophobicContact CG2-SD 3.66Å
107	I	94.3	Very high	90.1	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.046	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.5	-175.3	-57.5	174.2	0	0	0	109.9	I25 V105 L113 F117 V118 F129	I25-I107 HydrophobicContact CG1-CG1 4.3Å; V105-I107 HydrophobicContact CG1-CG1 4.26Å; I107-L113 HydrophobicContact CB-CD2 3.88Å; I107-L113 HydrophobicContact CD1-CD2 3.98Å; I107-L113 HydrophobicContact CG2-CD2 3.72Å; I107-L113 HydrophobicContact CG2-CG 3.88Å; I107-F117 HydrophobicContact CD1-CB 4.46Å; I107-F117 HydrophobicContact CD1-CD1 3.77Å; I107-V118 HydrophobicContact CD1-CG2 3.46Å; I107-V118 VanDerWaalsContact CD1-CG2 3.46Å; I107-F129 PolarHBondContact N-O 3.21Å
108	G	90.6	Very high	90.2	Very high	1 Å²	1	40 Å²	40	1%	0.01	20%	0.198	C	C	.	.			trans	-84.8	-54.9	176	0	0	0	0	0	113.8	I25 R30 E31 R320	I25-G108 PolarHBondContact O-N 3.22Å; I25-G108 VanDerWaalsContact O-N 3.09Å; R30-G108 PolarHBondContact NE-O 2.8Å; E31-G108 VanDerWaalsContact OE1-CA 3.32Å; E31-G108 WeakPolarHBondContact OE1-CA 3.35Å; G108-R320 WeakPolarHBondContact O-CB 3.33Å; G108-R320 VanDerWaalsContact O-CG 3.28Å; G108-R320 WeakPolarHBondContact O-CG 3.5Å
109	P	88.7	Confident	90.5	Very high	28 Å²	28	37.1 Å²	37.1	18%	0.182	19%	0.188	C	C	.	.	S	Bend	trans	-78.1	134.5	-178.3	-17.3	30.3	0	0	0	114.4	I25 D111 Y112	I25-P109 WeakPolarHBondContact O-CD 3.45Å; P109-D111 VanDerWaalsContact C-N 3.34Å; P109-D111 PolarHBondContact O-N 2.83Å; P109-Y112 HydrophobicContact CB-CD2 3.97Å; P109-Y112 HydrophobicContact CB-CE2 4.22Å; P109-Y112 HydrophobicContact CG-CD2 4.19Å; P109-Y112 HydrophobicContact CG-CE2 4.18Å; P109-Y112 PolarHBondContact O-N 3.49Å
110	E	83.1	Confident	90.8	Very high	11 Å²	11	32.4 Å²	32.4	5%	0.051	17%	0.165	C	C	.	.	H	α-helix	trans	-56.1	-39.7	178.3	-169.1	66.6	-111.4	0	0	114.4	Y112 L113 A114 E139 L180 C319 R320	E110-Y112 PolarHBondContact O-N 2.95Å; E110-L113 WeakPolarHBondContact O-CA 3.35Å; E110-L113 WeakPolarHBondContact O-CB 3.38Å; E110-L113 PolarHBondContact O-N 2.84Å; E110-A114 PolarHBondContact O-N 2.87Å; E110-E139 WeakPolarHBondContact CG-OE2 3.38Å; E110-L180 HydrophobicContact CG-CD2 4.38Å; E110-C319 WeakPolarHBondContact OE1-CB 3.44Å; E110-C319 WeakPolarHBondContact OE2-CB 3.42Å; E110-C319 PolarHBondContact OE2-N 2.84Å; E110-R320 WeakPolarHBondContact OE2-CD 3.16Å; E110-R320 IonicContact OE2-CZ 3.38Å; E110-R320 IonicContact OE2-NE 3.58Å; E110-R320 PolarHBondContact OE2-NE 2.91Å; E110-R320 IonicContact OE2-NH2 2.72Å
111	D	83.5	Confident	91.2	Very high	61 Å²	61	30 Å²	30	33%	0.326	15%	0.154	S	C	.	.	H	α-helix	trans	-52.2	-32.1	-176.6	-68.8	-12.7	0	0	0	112	P109 S115 R182	P109-D111 VanDerWaalsContact C-N 3.34Å; P109-D111 PolarHBondContact O-N 2.83Å; D111-S115 WeakPolarHBondContact O-CB 3.32Å; D111-S115 PolarHBondContact O-N 2.97Å; D111-R182 IonicContact OD2-CZ 2.96Å; D111-R182 IonicContact OD2-NE 2.74Å; D111-R182 PolarHBondContact OD2-NE 2.87Å; D111-R182 IonicContact OD2-NH2 3.89Å; D111-R182 PolarHBondContact OD2-NH2 3.1Å
112	Y	90.2	Very high	91.3	Very high	48 Å²	48	24.7 Å²	24.7	19%	0.188	14%	0.142	C	C	.	.	H	α-helix	trans	-77.8	-39.7	176	-62.3	-70.3	0	0	0	113	I25 L87 P109 E110 S115 F117	I25-Y112 HydrophobicContact CG2-CD2 3.56Å; I25-Y112 HydrophobicContact CG2-CE2 3.64Å; I25-Y112 HydrophobicContact CG2-CG 4.06Å; L87-Y112 HydrophobicContact CB-CE1 3.71Å; L87-Y112 WeakPolarHBondContact CB-OH 3.48Å; L87-Y112 WeakPolarHBondContact CD1-OH 3.49Å; P109-Y112 HydrophobicContact CB-CD2 3.97Å; P109-Y112 HydrophobicContact CB-CE2 4.22Å; P109-Y112 HydrophobicContact CG-CD2 4.19Å; P109-Y112 HydrophobicContact CG-CE2 4.18Å; P109-Y112 PolarHBondContact O-N 3.49Å; E110-Y112 PolarHBondContact O-N 2.95Å; Y112-S115 PolarHBondContact O-N 2.78Å; Y112-S115 PolarHBondContact O-OG 3.36Å; Y112-F117 HydrophobicContact CD1-CD2 4.14Å; Y112-F117 HydrophobicContact CD1-CE2 4.17Å; Y112-F117 WeakPolarHBondContact O-CB 3.38Å; Y112-F117 PolarHBondContact O-N 2.95Å
113	L	90	Very high	91.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-54.1	175.2	-60.3	175.5	0	0	0	110.2	I107 E110 S115 G116 V118 P131 S133 A136 C319 R320	I107-L113 HydrophobicContact CB-CD2 3.88Å; I107-L113 HydrophobicContact CD1-CD2 3.98Å; I107-L113 HydrophobicContact CG2-CD2 3.72Å; I107-L113 HydrophobicContact CG2-CG 3.88Å; E110-L113 WeakPolarHBondContact O-CA 3.35Å; E110-L113 WeakPolarHBondContact O-CB 3.38Å; E110-L113 PolarHBondContact O-N 2.84Å; L113-S115 PolarHBondContact O-N 3.31Å; L113-G116 PolarHBondContact O-N 2.86Å; L113-V118 HydrophobicContact CD2-CG2 3.83Å; L113-P131 HydrophobicContact CD1-CG 4.11Å; L113-P131 HydrophobicContact CD2-CG 4.44Å; L113-S133 WeakPolarHBondContact O-CA 3.3Å; L113-A136 HydrophobicContact CB-CB 4Å; L113-C319 HydrophobicContact CD1-CB 4.17Å; L113-C319 WeakPolarHBondContact CD1-O 3.12Å; L113-R320 HydrophobicContact CD1-CB 4.15Å
114	A	84.6	Confident	91.3	Very high	32 Å²	32	29.3 Å²	29.3	26%	0.264	17%	0.165	S	C	.	.	H	α-helix	trans	-59.3	-32.4	178	0	0	0	0	0	113	E110 G116 L180	E110-A114 PolarHBondContact O-N 2.87Å; A114-G116 PolarHBondContact O-N 2.8Å; A114-L180 HydrophobicContact CB-CD1 4.25Å
115	S	86.6	Confident	91.1	Very high	58 Å²	58	32.7 Å²	32.7	41%	0.406	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12	176.8	81.9	0	0	0	0	114.7	K90 D111 Y112 L113	K90-S115 PolarHBondContact NZ-O 3.47Å; D111-S115 WeakPolarHBondContact O-CB 3.32Å; D111-S115 PolarHBondContact O-N 2.97Å; Y112-S115 PolarHBondContact O-N 2.78Å; Y112-S115 PolarHBondContact O-OG 3.36Å; L113-S115 PolarHBondContact O-N 3.31Å
116	G	88.1	Confident	91	Very high	7 Å²	7	33.1 Å²	33.1	7%	0.072	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	42.3	-172	0	0	0	0	0	112.9	K90 L113 A114 D119 Y120	K90-G116 VanDerWaalsContact NZ-C 3.3Å; K90-G116 PolarHBondContact NZ-O 2.84Å; L113-G116 PolarHBondContact O-N 2.86Å; A114-G116 PolarHBondContact O-N 2.8Å; G116-D119 WeakPolarHBondContact CA-OD2 3.21Å; G116-Y120 PolarHBondContact O-N 3.45Å
117	F	89.8	Confident	91	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-75.5	-42.8	177.4	-161	-95.7	0	0	0	111	I25 L87 K90 V93 I107 Y112 Y120 L121	I25-F117 HydrophobicContact CG1-CE1 4.27Å; L87-F117 WeakPolarHBondContact O-CE2 3.39Å; K90-F117 HydrophobicContact CG-CD2 4Å; K90-F117 HydrophobicContact CG-CE2 4.38Å; V93-F117 HydrophobicContact CB-CZ 4.01Å; V93-F117 HydrophobicContact CG1-CE1 4.04Å; V93-F117 HydrophobicContact CG1-CZ 3.7Å; V93-F117 HydrophobicContact CG2-CE2 4.14Å; V93-F117 HydrophobicContact CG2-CZ 3.75Å; I107-F117 HydrophobicContact CD1-CB 4.46Å; I107-F117 HydrophobicContact CD1-CD1 3.77Å; Y112-F117 HydrophobicContact CD1-CD2 4.14Å; Y112-F117 HydrophobicContact CD1-CE2 4.17Å; Y112-F117 WeakPolarHBondContact O-CB 3.38Å; Y112-F117 PolarHBondContact O-N 2.95Å; F117-Y120 PolarHBondContact O-N 2.64Å; F117-L121 HydrophobicContact CD1-CD1 3.61Å; F117-L121 HydrophobicContact CD1-CG 4.43Å; F117-L121 HydrophobicContact CE1-CD1 3.56Å; F117-L121 HydrophobicContact CZ-CD1 4.49Å; F117-L121 WeakPolarHBondContact O-CG 3.43Å; F117-L121 PolarHBondContact O-N 2.88Å; F117-L121 VanDerWaalsContact O-N 3.15Å
118	V	93.5	Very high	91.1	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-57.3	-49.1	173	173.6	0	0	0	0	111.2	I107 L113 Y120 L121 T122 C128 P131 T132	I107-V118 HydrophobicContact CD1-CG2 3.46Å; I107-V118 VanDerWaalsContact CD1-CG2 3.46Å; L113-V118 HydrophobicContact CD2-CG2 3.83Å; V118-Y120 VanDerWaalsContact C-N 3.32Å; V118-Y120 PolarHBondContact O-N 2.85Å; V118-L121 PolarHBondContact O-N 3.47Å; V118-T122 VanDerWaalsContact O-CB 3.26Å; V118-T122 WeakPolarHBondContact O-CB 3.48Å; V118-T122 PolarHBondContact O-N 3Å; V118-T122 PolarHBondContact O-OG1 3.11Å; V118-C128 HydrophobicContact CB-CB 4.48Å; V118-C128 HydrophobicContact CG1-CB 4.08Å; V118-C128 HydrophobicContact CG2-CB 4.25Å; V118-P131 VanDerWaalsContact CG2-O 3.29Å; V118-P131 WeakPolarHBondContact CG2-O 3.37Å; V118-T132 HydrophobicContact CG1-CG2 4.48Å
119	D	94.2	Very high	91.3	Very high	55 Å²	55	37.4 Å²	37.4	29%	0.294	22%	0.221	S	C	.	.	H	α-helix	trans	-55.9	-48.1	-179.4	-54.9	-91.7	0	0	0	111.3	G116 S123 T132 S133	G116-D119 WeakPolarHBondContact CA-OD2 3.21Å; D119-S123 VanDerWaalsContact O-CB 3.3Å; D119-S123 WeakPolarHBondContact O-CB 3.28Å; D119-S123 PolarHBondContact O-N 3.01Å; D119-S123 PolarHBondContact O-OG 3.31Å; D119-T132 VanDerWaalsContact OD1-CB 3.22Å; D119-T132 WeakPolarHBondContact OD1-CB 3.49Å; D119-T132 WeakPolarHBondContact OD1-CG2 3.46Å; D119-S133 WeakPolarHBondContact OD2-CB 3.42Å; D119-S133 PolarHBondContact OD2-N 3.11Å; D119-S133 PolarHBondContact OD2-OG 2.74Å
120	Y	94.8	Very high	91.5	Very high	36 Å²	36	36.3 Å²	36.3	14%	0.141	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-41.7	-176.7	-178.8	-81.7	0	0	0	113.4	K90 E91 C94 G116 F117 V118 S123 R124	K90-Y120 VanDerWaalsContact C-CE1 3.48Å; K90-Y120 HydrophobicContact CB-CD1 3.52Å; K90-Y120 HydrophobicContact CB-CD2 4.12Å; K90-Y120 HydrophobicContact CB-CE1 3.68Å; K90-Y120 HydrophobicContact CB-CE2 4.24Å; K90-Y120 HydrophobicContact CB-CG 3.78Å; K90-Y120 HydrophobicContact CD-CD1 4.34Å; K90-Y120 HydrophobicContact CD-CD2 4.04Å; K90-Y120 HydrophobicContact CD-CG 3.79Å; K90-Y120 HydrophobicContact CG-CG 4.44Å; K90-Y120 VanDerWaalsContact O-CE1 3.27Å; K90-Y120 WeakPolarHBondContact O-CE1 3.3Å; E91-Y120 VanDerWaalsContact CG-OH 3.28Å; E91-Y120 WeakPolarHBondContact CG-OH 3.49Å; E91-Y120 VanDerWaalsContact OE1-CE2 3.29Å; E91-Y120 WeakPolarHBondContact OE1-CE2 3.23Å; E91-Y120 PolarHBondContact OE1-OH 2.82Å; E91-Y120 VanDerWaalsContact OE1-OH 3.1Å; C94-Y120 HydrophobicContact CB-CE1 3.93Å; G116-Y120 PolarHBondContact O-N 3.45Å; F117-Y120 PolarHBondContact O-N 2.64Å; V118-Y120 VanDerWaalsContact C-N 3.32Å; V118-Y120 PolarHBondContact O-N 2.85Å; Y120-S123 PolarHBondContact O-OG 3.1Å; Y120-S123 VanDerWaalsContact O-OG 3.14Å; Y120-R124 VanDerWaalsContact CE2-NH1 3.35Å; Y120-R124 VanDerWaalsContact CZ-NE 3.31Å; Y120-R124 PolarHBondContact O-NH1 3.47Å; Y120-R124 VanDerWaalsContact OH-CZ 3.27Å; Y120-R124 PolarHBondContact OH-NE 3.28Å; Y120-R124 VanDerWaalsContact OH-NE 3.09Å; Y120-R124 PolarHBondContact OH-NH2 3.38Å
121	L	94.4	Very high	92	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-74.9	-45.1	-179	-72	179.5	0	0	0	111.4	V93 C94 V105 F117 V118 S123 R124 G125 V126 C128	V93-L121 HydrophobicContact CG1-CD1 4.29Å; V93-L121 HydrophobicContact CG1-CD2 4.29Å; C94-L121 HydrophobicContact CB-CD2 3.73Å; V105-L121 HydrophobicContact CG1-CD1 4.27Å; V105-L121 HydrophobicContact CG2-CD1 4.32Å; F117-L121 HydrophobicContact CD1-CD1 3.61Å; F117-L121 HydrophobicContact CD1-CG 4.43Å; F117-L121 HydrophobicContact CE1-CD1 3.56Å; F117-L121 HydrophobicContact CZ-CD1 4.49Å; F117-L121 WeakPolarHBondContact O-CG 3.43Å; F117-L121 PolarHBondContact O-N 2.88Å; F117-L121 VanDerWaalsContact O-N 3.15Å; V118-L121 PolarHBondContact O-N 3.47Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 3.35Å; L121-R124 CarbonylContact O-C 3.51Å; L121-R124 PolarHBondContact O-N 3.46Å; L121-G125 PolarHBondContact O-N 2.91Å; L121-V126 CarbonylContact C-O 3.53Å; L121-V126 HydrophobicContact CB-CB 4.12Å; L121-V126 HydrophobicContact CB-CG1 4.37Å; L121-V126 PolarHBondContact O-N 2.99Å; L121-V126 VanDerWaalsContact O-N 3.08Å; L121-C128 WeakPolarHBondContact CB-SG 3.28Å
122	T	93.7	Very high	92.5	Very high	76 Å²	76	34.8 Å²	34.8	47%	0.466	21%	0.209	S	C	.	.	H	α-helix	trans	-63.3	-39.8	179.4	-50.2	0	0	0	0	110.9	V118 R124 G125 V126	V118-T122 VanDerWaalsContact O-CB 3.26Å; V118-T122 WeakPolarHBondContact O-CB 3.48Å; V118-T122 PolarHBondContact O-N 3Å; V118-T122 PolarHBondContact O-OG1 3.11Å; T122-R124 PolarHBondContact O-N 2.61Å; T122-G125 PolarHBondContact O-N 3.33Å; T122-G125 VanDerWaalsContact O-N 3.11Å; T122-V126 WeakPolarHBondContact CA-O 3.47Å
123	S	93.9	Very high	92.5	Very high	86 Å²	86	34.2 Å²	34.2	60%	0.601	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-8	175.2	85.6	0	0	0	0	114.3	D119 Y120 L121	D119-S123 VanDerWaalsContact O-CB 3.3Å; D119-S123 WeakPolarHBondContact O-CB 3.28Å; D119-S123 PolarHBondContact O-N 3.01Å; D119-S123 PolarHBondContact O-OG 3.31Å; Y120-S123 PolarHBondContact O-OG 3.1Å; Y120-S123 VanDerWaalsContact O-OG 3.14Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 3.35Å
124	R	94.2	Very high	92.4	Very high	99 Å²	99	35.8 Å²	35.8	37%	0.374	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	11.1	179.6	-71.6	172.1	176.4	69.4	-1.4	113.3	C94 K98 Y120 L121 T122	C94-R124 VanDerWaalsContact SG-CD 3.53Å; K98-R124 VanDerWaalsContact CE-O 3.28Å; K98-R124 WeakPolarHBondContact CE-O 3.28Å; K98-R124 PolarHBondContact NZ-O 3.22Å; Y120-R124 VanDerWaalsContact CE2-NH1 3.35Å; Y120-R124 VanDerWaalsContact CZ-NE 3.31Å; Y120-R124 PolarHBondContact O-NH1 3.47Å; Y120-R124 VanDerWaalsContact OH-CZ 3.27Å; Y120-R124 PolarHBondContact OH-NE 3.28Å; Y120-R124 VanDerWaalsContact OH-NE 3.09Å; Y120-R124 PolarHBondContact OH-NH2 3.38Å; L121-R124 CarbonylContact O-C 3.51Å; L121-R124 PolarHBondContact O-N 3.46Å; T122-R124 PolarHBondContact O-N 2.61Å
125	G	92.2	Very high	92.5	Very high	71 Å²	71	34.3 Å²	34.3	73%	0.732	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	9.4	176.7	0	0	0	0	0	115.3	L121 T122	L121-G125 PolarHBondContact O-N 2.91Å; T122-G125 PolarHBondContact O-N 3.33Å; T122-G125 VanDerWaalsContact O-N 3.11Å
126	V	93.9	Very high	92.4	Very high	10 Å²	10	31.5 Å²	31.5	6%	0.061	19%	0.194	C	C	.	.			trans	-94.1	117.3	178	179	0	0	0	0	109.3	C97 V105 L121 T122 C128	C97-V126 HydrophobicContact CB-CG1 3.86Å; C97-V126 HydrophobicContact CB-CG2 3.92Å; V105-V126 HydrophobicContact CG2-CG1 3.62Å; L121-V126 CarbonylContact C-O 3.53Å; L121-V126 HydrophobicContact CB-CB 4.12Å; L121-V126 HydrophobicContact CB-CG1 4.37Å; L121-V126 PolarHBondContact O-N 2.99Å; L121-V126 VanDerWaalsContact O-N 3.08Å; T122-V126 WeakPolarHBondContact CA-O 3.47Å; V126-C128 PolarHBondContact O-SG 3.19Å
127	K	95.9	Very high	91.7	Very high	86 Å²	86	34.3 Å²	34.3	37%	0.374	21%	0.21	S	C	.	.			trans	-67	132.8	178.2	-72	-171.8	-176.8	-169.1	0	110.9	D103 L104 V105 V372 N373	D103-K127 WeakPolarHBondContact O-CB 3.04Å; L104-K127 HydrophobicContact CD1-CB 4.28Å; V105-K127 PolarHBondContact N-O 3.11Å; K127-V372 HydrophobicContact CB-CG1 4.02Å; K127-V372 HydrophobicContact CD-CG1 4.14Å; K127-V372 HydrophobicContact CG-CG1 4.08Å; K127-N373 PolarHBondContact NZ-OD1 2.95Å
128	C	96.3	Very high	90.9	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.7	-178.6	-63	0	0	0	0	110.9	V105 V118 L121 V126 V372	V105-C128 CarbonylContact O-C 3.58Å; V105-C128 WeakPolarHBondContact O-CA 3.37Å; V118-C128 HydrophobicContact CB-CB 4.48Å; V118-C128 HydrophobicContact CG1-CB 4.08Å; V118-C128 HydrophobicContact CG2-CB 4.25Å; L121-C128 WeakPolarHBondContact CB-SG 3.28Å; V126-C128 PolarHBondContact O-SG 3.19Å; C128-V372 WeakPolarHBondContact O-CG2 3.49Å
129	F	96.2	Very high	89.2	Confident	7 Å²	7	36.5 Å²	36.5	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	104.7	167.4	-176.4	-92.4	0	0	0	109.5	L104 V105 V106 I107 F231 V300 F321 M368 C371 V372	L104-F129 HydrophobicContact CD1-CB 4.15Å; V105-F129 PolarHBondContact O-N 2.8Å; V106-F129 HydrophobicContact CG1-CD1 4.23Å; V106-F129 HydrophobicContact CG2-CB 4.35Å; I107-F129 PolarHBondContact N-O 3.21Å; F129-F231 HydrophobicContact CE2-CD1 4.32Å; F129-F231 AromaticContact CZ-CD1 3.91Å; F129-F231 HydrophobicContact CZ-CD1 3.91Å; F129-F231 AromaticContact CZ-CE1 3.95Å; F129-F231 HydrophobicContact CZ-CE1 3.95Å; F129-V300 HydrophobicContact CE1-CG2 3.89Å; F129-V300 HydrophobicContact CZ-CG2 3.76Å; F129-F321 HydrophobicContact CE1-CE2 4.04Å; F129-M368 HydrophobicContact CD1-CE 3.92Å; F129-M368 HydrophobicContact CD1-CG 4.2Å; F129-M368 HydrophobicContact CD1-SD 4.31Å; F129-M368 HydrophobicContact CD2-CB 3.63Å; F129-M368 HydrophobicContact CD2-CG 3.63Å; F129-M368 HydrophobicContact CE1-CE 3.87Å; F129-M368 HydrophobicContact CE1-CG 4.25Å; F129-M368 HydrophobicContact CE2-CB 4Å; F129-M368 HydrophobicContact CE2-CG 3.67Å; F129-M368 HydrophobicContact CG-CB 4.13Å; F129-M368 HydrophobicContact CG-CE 4.46Å; F129-M368 HydrophobicContact CG-CG 3.89Å; F129-M368 HydrophobicContact CG-SD 4.27Å; F129-M368 HydrophobicContact CZ-CE 4.36Å; F129-M368 HydrophobicContact CZ-CG 3.99Å; F129-C371 HydrophobicContact CD2-CB 4.12Å; F129-C371 HydrophobicContact CE2-CB 3.78Å; F129-V372 HydrophobicContact CB-CG2 4.2Å; F129-V372 HydrophobicContact CD2-CG2 4.36Å
130	G	93.4	Very high	87.2	Confident	6 Å²	6	36.5 Å²	36.5	6%	0.062	22%	0.217	C	C	.	.	S	Bend	trans	155.1	156.4	-180	0	0	0	0	0	110.9	K298	G130-K298 CarbonylContact C-O 3.57Å
131	P	93.1	Very high	85.1	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	23%	0.232	C	C	.	.			trans	-71.4	155.8	-179.9	24.1	-31.2	0	0	0	112.8	L113 V118 C135 Y297 K298 C319	L113-P131 HydrophobicContact CD1-CG 4.11Å; L113-P131 HydrophobicContact CD2-CG 4.44Å; V118-P131 VanDerWaalsContact CG2-O 3.29Å; V118-P131 WeakPolarHBondContact CG2-O 3.37Å; P131-C135 HydrophobicContact CB-CB 3.53Å; P131-Y297 HydrophobicContact CB-CD2 4.24Å; P131-Y297 HydrophobicContact CB-CE1 4.32Å; P131-Y297 HydrophobicContact CB-CE2 3.97Å; P131-Y297 HydrophobicContact CG-CE1 4.45Å; P131-Y297 HydrophobicContact CG-CE2 4.22Å; P131-K298 WeakPolarHBondContact CA-O 3.46Å; P131-K298 WeakPolarHBondContact CD-O 3.48Å; P131-C319 WeakPolarHBondContact CD-O 3.17Å; P131-C319 HydrophobicContact CG-CB 3.74Å; P131-C319 WeakPolarHBondContact CG-O 3.35Å
132	T	93.3	Very high	82.8	Confident	39 Å²	39	39.8 Å²	39.8	24%	0.239	24%	0.244	C	C	.	.			trans	-60.9	158.5	166.5	54.5	0	0	0	0	111.1	V118 D119 A134 C135 A136	V118-T132 HydrophobicContact CG1-CG2 4.48Å; D119-T132 VanDerWaalsContact OD1-CB 3.22Å; D119-T132 WeakPolarHBondContact OD1-CB 3.49Å; D119-T132 WeakPolarHBondContact OD1-CG2 3.46Å; T132-A134 PolarHBondContact O-N 3.14Å; T132-C135 CarbonylContact O-C 3.5Å; T132-C135 WeakPolarHBondContact O-CA 3.46Å; T132-C135 WeakPolarHBondContact O-CB 3.22Å; T132-C135 PolarHBondContact O-N 3.08Å; T132-C135 PolarHBondContact OG1-N 3.27Å; T132-A136 PolarHBondContact O-N 3.34Å
133	S	90.5	Very high	80.5	Confident	36 Å²	36	39.8 Å²	39.8	25%	0.252	24%	0.241	S	C	.	.	H	α-helix	trans	-53.5	-39.9	173.8	42.8	0	0	0	0	113.1	L113 D119 C135 A136 T137	L113-S133 WeakPolarHBondContact O-CA 3.3Å; D119-S133 WeakPolarHBondContact OD2-CB 3.42Å; D119-S133 PolarHBondContact OD2-N 3.11Å; D119-S133 PolarHBondContact OD2-OG 2.74Å; S133-C135 VanDerWaalsContact C-N 3.29Å; S133-C135 PolarHBondContact O-N 3.15Å; S133-A136 PolarHBondContact O-N 2.82Å; S133-T137 WeakPolarHBondContact O-CG2 3.38Å; S133-T137 PolarHBondContact O-N 3.34Å
134	A	87.1	Confident	77.8	Confident	34 Å²	34	43.9 Å²	43.9	28%	0.281	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-38.9	174.4	0	0	0	0	0	112.3	T132 T137 N295	T132-A134 PolarHBondContact O-N 3.14Å; A134-T137 PolarHBondContact O-OG1 2.83Å; A134-N295 WeakPolarHBondContact CB-OD1 3.44Å
135	C	87.9	Confident	75.1	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-73.6	-38.1	173.9	-78.3	0	0	0	0	113.3	P131 T132 S133 T137 L138 M290 Y297	P131-C135 HydrophobicContact CB-CB 3.53Å; T132-C135 CarbonylContact O-C 3.5Å; T132-C135 WeakPolarHBondContact O-CA 3.46Å; T132-C135 WeakPolarHBondContact O-CB 3.22Å; T132-C135 PolarHBondContact O-N 3.08Å; T132-C135 PolarHBondContact OG1-N 3.27Å; S133-C135 VanDerWaalsContact C-N 3.29Å; S133-C135 PolarHBondContact O-N 3.15Å; C135-T137 PolarHBondContact O-N 3.39Å; C135-L138 VanDerWaalsContact O-CB 3.26Å; C135-L138 WeakPolarHBondContact O-CB 3.42Å; C135-L138 PolarHBondContact O-N 3.4Å; C135-L138 VanDerWaalsContact O-N 3.08Å; C135-M290 HydrophobicContact CB-CE 4.26Å; C135-Y297 HydrophobicContact CB-CD2 3.63Å; C135-Y297 HydrophobicContact CB-CE2 4.17Å; C135-Y297 HydrophobicContact CB-CG 4.32Å
136	A	83.7	Confident	72.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-25	176.1	0	0	0	0	0	112.6	L113 T132 S133 L138 E139	L113-A136 HydrophobicContact CB-CB 4Å; T132-A136 PolarHBondContact O-N 3.34Å; S133-A136 PolarHBondContact O-N 2.82Å; A136-L138 PolarHBondContact O-N 3.47Å; A136-E139 PolarHBondContact O-N 2.95Å
137	T	74.8	Confident	70	Confident	66 Å²	66	61.5 Å²	61.5	41%	0.405	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-60.9	-13.5	173.9	68.9	0	0	0	0	115	S133 A134 C135 E139 F140 V141	S133-T137 WeakPolarHBondContact O-CG2 3.38Å; S133-T137 PolarHBondContact O-N 3.34Å; A134-T137 PolarHBondContact O-OG1 2.83Å; C135-T137 PolarHBondContact O-N 3.39Å; T137-E139 PolarHBondContact O-N 3.36Å; T137-F140 PolarHBondContact O-N 3.14Å; T137-V141 PolarHBondContact O-N 2.82Å
138	L	72.4	Confident	67.7	Low	9 Å²	9	60.9 Å²	60.9	5%	0.047	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-58.1	-30	174.6	-173.6	72	0	0	0	112.5	C135 A136 F140 V141 V286 M290 Y297 L301 F317	C135-L138 VanDerWaalsContact O-CB 3.26Å; C135-L138 WeakPolarHBondContact O-CB 3.42Å; C135-L138 PolarHBondContact O-N 3.4Å; C135-L138 VanDerWaalsContact O-N 3.08Å; A136-L138 PolarHBondContact O-N 3.47Å; L138-F140 PolarHBondContact O-N 3.48Å; L138-V141 PolarHBondContact O-N 3.22Å; L138-V286 HydrophobicContact CD1-CG1 4.18Å; L138-V286 HydrophobicContact CD2-CG1 3.54Å; L138-M290 HydrophobicContact CD1-SD 4.39Å; L138-Y297 HydrophobicContact CD2-CE2 4.34Å; L138-L301 HydrophobicContact CD2-CD1 3.59Å; L138-F317 HydrophobicContact CD1-CD2 4.32Å; L138-F317 HydrophobicContact CD2-CB 3.93Å; L138-F317 HydrophobicContact CD2-CD1 4.37Å; L138-F317 HydrophobicContact CD2-CD2 4.35Å; L138-F317 HydrophobicContact CD2-CG 3.97Å; L138-F317 HydrophobicContact CG-CB 3.93Å; L138-F317 HydrophobicContact CG-CD2 4.16Å; L138-F317 HydrophobicContact CG-CG 4.13Å
139	E	58.3	Low	65.4	Low	42 Å²	42	63.9 Å²	63.9	20%	0.196	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-56.4	-34.1	173.5	-168.7	-174.5	-135.4	0	0	112	E110 A136 T137 L180 F317 N318 R320	E110-E139 WeakPolarHBondContact CG-OE2 3.38Å; A136-E139 PolarHBondContact O-N 2.95Å; T137-E139 PolarHBondContact O-N 3.36Å; E139-L180 VanDerWaalsContact OE2-CD2 3.22Å; E139-L180 WeakPolarHBondContact OE2-CD2 3.42Å; E139-F317 WeakPolarHBondContact CA-O 3.37Å; E139-N318 PolarHBondContact OE1-OD1 3.45Å; E139-R320 IonicContact OE1-CZ 3.58Å; E139-R320 IonicContact OE1-NH2 2.68Å; E139-R320 PolarHBondContact OE1-NH2 3.41Å
140	F	51.8	Low	63.2	Low	55 Å²	55	66.6 Å²	66.6	24%	0.241	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-22.7	-176.4	-42.7	-52.9	0	0	0	113.5	T137 L138 A142 V178 L180	T137-F140 PolarHBondContact O-N 3.14Å; L138-F140 PolarHBondContact O-N 3.48Å; F140-A142 PolarHBondContact O-N 3.38Å; F140-V178 WeakPolarHBondContact CD1-O 3.43Å; F140-L180 HydrophobicContact CE1-CD2 3.65Å; F140-L180 HydrophobicContact CE1-CG 3.6Å; F140-L180 HydrophobicContact CZ-CD1 4.17Å; F140-L180 HydrophobicContact CZ-CD2 3.81Å; F140-L180 HydrophobicContact CZ-CG 3.7Å
141	V	50	Low	61.1	Low	74 Å²	74	66.8 Å²	66.8	45%	0.448	33%	0.333	S	S	.	.			trans	-94.9	83.4	-172.2	-174.6	0	0	0	0	111	T137 L138 L143	T137-V141 PolarHBondContact O-N 2.82Å; L138-V141 PolarHBondContact O-N 3.22Å; V141-L143 PolarHBondContact O-N 2.65Å
142	A	46.2	Very low	58.9	Low	31 Å²	31	70 Å²	70	26%	0.256	35%	0.354	S	S	.	.			trans	-52.2	108.5	161.5	0	0	0	0	0	109.9	F140 K144	F140-A142 PolarHBondContact O-N 3.38Å; A142-K144 PolarHBondContact O-N 3.12Å; A142-K144 VanDerWaalsContact O-N 3.07Å
143	L	46.1	Very low	56.7	Low	77 Å²	77	71.3 Å²	71.3	40%	0.403	37%	0.365	S	S	.	.			trans	-46.4	116.1	-172.8	-77.6	168.5	0	0	0	111.9	V141 K145 R148 F317	V141-L143 PolarHBondContact O-N 2.65Å; L143-K145 PolarHBondContact O-N 3.36Å; L143-R148 PolarHBondContact O-NH1 3.12Å; L143-F317 HydrophobicContact CD1-CE2 3.95Å; L143-F317 HydrophobicContact CG-CE2 4.48Å
144	K	35.5	Very low	54.6	Low	171 Å²	171	79 Å²	79	74%	0.743	39%	0.393	S	S	*	.			trans	-71.9	85.4	-175.9	-72.1	-175.8	174.9	178.8	0	112.2	A142	A142-K144 PolarHBondContact O-N 3.12Å; A142-K144 VanDerWaalsContact O-N 3.07Å
145	K	38.1	Very low	52.7	Low	186 Å²	186	83.3 Å²	83.3	81%	0.809	41%	0.406	S	S	*	.	S	Bend	trans	-140.6	128.1	161.7	-76.1	-166	178.3	-179.3	0	113.4	L143 Q147	L143-K145 PolarHBondContact O-N 3.36Å; K145-Q147 VanDerWaalsContact C-N 3.32Å; K145-Q147 PolarHBondContact O-N 2.96Å
146	K	39.2	Very low	50.7	Low	220 Å²	220	93 Å²	93	96%	0.957	45%	0.448	S	S	*	.	S	Bend	trans	45.6	-19.7	161.7	-78.6	-168.7	172.5	-173.2	0	123.5
147	Q	40.3	Very low	48.9	Very low	145 Å²	145	97.6 Å²	97.6	68%	0.678	47%	0.473	S	S	*	.	S	Bend	trans	-126	-5.1	-176.5	-84.8	170.1	-45.5	0	0	116.1	K145	K145-Q147 VanDerWaalsContact C-N 3.32Å; K145-Q147 PolarHBondContact O-N 2.96Å
148	R	48	Very low	47.5	Very low	72 Å²	72	103.6 Å²	103.6	27%	0.272	49%	0.488	S	S	.	.			trans	-98.4	114.6	-178.2	-72.8	171.8	161.8	142.6	-2.4	112	L143 V216 E218	L143-R148 PolarHBondContact O-NH1 3.12Å; R148-V216 HydrophobicContact CB-CG1 4.4Å; R148-V216 HydrophobicContact CG-CG1 4.38Å; R148-E218 IonicContact CZ-OE1 3.53Å; R148-E218 IonicContact NE-OE1 2.9Å; R148-E218 PolarHBondContact NE-OE1 3.31Å; R148-E218 IonicContact NH2-OE1 2.69Å; R148-E218 PolarHBondContact NH2-OE1 2.96Å
149	N	48	Very low	46.2	Very low	70 Å²	70	109.4 Å²	109.4	37%	0.374	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	105.2	173.1	-79.7	-28.5	0	0	0	110.1	C168 L217	N149-C168 PolarHBondContact ND2-SG 2.97Å; N149-L217 PolarHBondContact O-N 3.29Å
150	I	49.4	Very low	45.9	Very low	64 Å²	64	108.6 Å²	108.6	33%	0.328	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127	175	-59.5	175.5	0	0	0	108.9	P152 E214	I150-P152 WeakPolarHBondContact O-CD 3.21Å; I150-E214 HydrophobicContact CG2-CG 3.91Å; I150-E214 WeakPolarHBondContact CG2-OE1 3.48Å
151	L	48.6	Very low	46	Very low	10 Å²	10	106.5 Å²	106.5	5%	0.052	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	104.7	-179	-89.9	175.7	0	0	0	111.2	L164 I215 L217	L151-L164 HydrophobicContact CD1-CD1 4.01Å; L151-L164 HydrophobicContact CD2-CD1 3.37Å; L151-L164 HydrophobicContact CG-CD1 3.99Å; L151-I215 HydrophobicContact CB-CD1 4.3Å; L151-I215 HydrophobicContact CB-CG1 3.92Å; L151-I215 HydrophobicContact CD1-CD1 4.35Å; L151-I215 PolarHBondContact N-O 3.11Å; L151-L217 HydrophobicContact CD1-CD1 3.77Å
152	P	48.6	Very low	46.2	Very low	69 Å²	69	104.5 Å²	104.5	45%	0.448	50%	0.502	S	S	.	.			trans	-74.9	145.5	179	29.6	-34.8	0	0	0	112.1	I150 K154 K155	I150-P152 WeakPolarHBondContact O-CD 3.21Å; P152-K154 PolarHBondContact O-N 3.15Å; P152-K155 PolarHBondContact O-N 2.98Å
153	S	46.5	Very low	46.6	Very low	67 Å²	67	110 Å²	110	47%	0.469	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-14.7	-174.8	70.6	0	0	0	0	117.2	S213	S153-S213 VanDerWaalsContact CB-O 3.28Å; S153-S213 WeakPolarHBondContact CB-O 3.42Å
154	K	46.3	Very low	47.2	Very low	196 Å²	196	107.8 Å²	107.8	85%	0.852	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-16	-177.8	-66.5	-174.7	177.8	179.8	0	114	P152 K156	P152-K154 PolarHBondContact O-N 3.15Å; K154-K156 PolarHBondContact O-N 3.31Å
155	K	46.2	Very low	48.3	Very low	125 Å²	125	99.9 Å²	99.9	54%	0.543	47%	0.471	S	S	.	.			trans	-91.5	70.9	173.5	-75.1	-170.1	176.1	-177.1	0	112.2	P152 N157	P152-K155 PolarHBondContact O-N 2.98Å; K155-N157 PolarHBondContact O-N 3Å
156	K	47.6	Very low	49.2	Very low	203 Å²	203	98.2 Å²	98.2	88%	0.883	47%	0.466	S	S	*	.			trans	-67.7	10.9	-174.2	-73.3	-176.4	173.2	179.3	0	117.5	K154	K154-K156 PolarHBondContact O-N 3.31Å
157	N	45.9	Very low	49.9	Very low	98 Å²	98	92.8 Å²	92.8	52%	0.524	45%	0.447	S	S	.	.			trans	-115.5	127.6	-166.1	-154.8	-13.2	0	0	0	113.2	K155 L159 A160	K155-N157 PolarHBondContact O-N 3Å; N157-L159 PolarHBondContact O-N 3.49Å; N157-L159 VanDerWaalsContact O-N 3.11Å; N157-A160 WeakPolarHBondContact O-CB 3.46Å; N157-A160 PolarHBondContact O-N 3.27Å
158	R	45.7	Very low	50.7	Low	191 Å²	191	88 Å²	88	72%	0.721	43%	0.428	S	S	*	.	H	α-helix	trans	-54.2	-31.4	-179	-175.7	175.7	167.3	-174.9	-4.2	112.7	A160 T161 A162	R158-A160 PolarHBondContact O-N 3.19Å; R158-T161 PolarHBondContact O-N 3.34Å; R158-A162 PolarHBondContact O-N 2.7Å
159	L	44.4	Very low	51	Low	131 Å²	131	87.6 Å²	87.6	69%	0.686	45%	0.446	S	S	*	.	H	α-helix	trans	-60.3	-37.8	173.2	-75.1	160.2	0	0	0	113.6	N157 W163	N157-L159 PolarHBondContact O-N 3.49Å; N157-L159 VanDerWaalsContact O-N 3.11Å; L159-W163 VanDerWaalsContact O-CB 3.27Å; L159-W163 WeakPolarHBondContact O-CB 3.4Å; L159-W163 PolarHBondContact O-N 2.86Å; L159-W163 VanDerWaalsContact O-N 3.07Å
160	A	52.5	Low	51.6	Low	26 Å²	26	88 Å²	88	22%	0.215	44%	0.443	C	S	.	.	H	α-helix	trans	-74.4	-31.2	-177.8	0	0	0	0	0	112.6	N157 R158 L164	N157-A160 WeakPolarHBondContact O-CB 3.46Å; N157-A160 PolarHBondContact O-N 3.27Å; R158-A160 PolarHBondContact O-N 3.19Å; A160-L164 PolarHBondContact O-N 2.85Å
161	T	53.8	Low	52.1	Low	11 Å²	11	93.5 Å²	93.5	7%	0.067	47%	0.465	C	S	.	.	H	α-helix	trans	-72.5	-46.3	175.2	-52.3	0	0	0	0	111.2	R158 W163 L164 I165 V199	R158-T161 PolarHBondContact O-N 3.34Å; T161-W163 PolarHBondContact O-N 3.14Å; T161-L164 PolarHBondContact O-N 3.25Å; T161-I165 HydrophobicContact CG2-CD1 3.95Å; T161-I165 WeakPolarHBondContact O-CG1 3.45Å; T161-I165 PolarHBondContact O-N 3.22Å; T161-I165 VanDerWaalsContact O-N 3.07Å; T161-V199 HydrophobicContact CG2-CB 3.88Å; T161-V199 HydrophobicContact CG2-CG1 3.64Å; T161-V199 HydrophobicContact CG2-CG2 4.01Å
162	A	54	Low	52.7	Low	32 Å²	32	95.3 Å²	95.3	26%	0.264	48%	0.478	S	S	.	.	H	α-helix	trans	-58.2	-48.2	175.5	0	0	0	0	0	111.4	R158 L164 I165 E166	R158-A162 PolarHBondContact O-N 2.7Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 2.94Å; A162-I165 PolarHBondContact O-N 3.45Å; A162-I165 VanDerWaalsContact O-N 3.11Å; A162-E166 WeakPolarHBondContact O-CG 3.29Å; A162-E166 PolarHBondContact O-N 2.85Å
163	W	53.8	Low	53.9	Low	147 Å²	147	92.3 Å²	92.3	56%	0.557	46%	0.457	S	S	*	.	H	α-helix	trans	-59.6	-38.2	178.2	-177.2	70.2	0	0	0	113.8	L159 T161 L167	L159-W163 VanDerWaalsContact O-CB 3.27Å; L159-W163 WeakPolarHBondContact O-CB 3.4Å; L159-W163 PolarHBondContact O-N 2.86Å; L159-W163 VanDerWaalsContact O-N 3.07Å; T161-W163 PolarHBondContact O-N 3.14Å; W163-L167 HydrophobicContact CD2-CD1 3.66Å; W163-L167 VanDerWaalsContact CE2-CD1 3.43Å; W163-L167 HydrophobicContact CE3-CD1 3.81Å; W163-L167 HydrophobicContact CG-CD1 4.4Å; W163-L167 HydrophobicContact CH2-CD1 3.61Å; W163-L167 HydrophobicContact CZ2-CD1 3.45Å; W163-L167 VanDerWaalsContact CZ2-CD1 3.45Å; W163-L167 HydrophobicContact CZ3-CD1 3.78Å; W163-L167 VanDerWaalsContact O-CB 3.29Å; W163-L167 WeakPolarHBondContact O-CB 3.37Å; W163-L167 PolarHBondContact O-N 3.33Å
164	L	58.1	Low	55.3	Low	30 Å²	30	89.8 Å²	89.8	16%	0.157	44%	0.439	C	S	.	.	H	α-helix	trans	-70.8	-33.6	175.7	-84.8	164.6	0	0	0	113.1	L151 A160 T161 A162 C168	L151-L164 HydrophobicContact CD1-CD1 4.01Å; L151-L164 HydrophobicContact CD2-CD1 3.37Å; L151-L164 HydrophobicContact CG-CD1 3.99Å; A160-L164 PolarHBondContact O-N 2.85Å; T161-L164 PolarHBondContact O-N 3.25Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 2.94Å; L164-C168 PolarHBondContact O-N 3.43Å
165	I	58.7	Low	56.9	Low	5 Å²	5	80.4 Å²	80.4	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-70.7	-44.4	176.1	-76.4	162.8	0	0	0	110.5	T161 A162 W173 A192 A195 C196	T161-I165 HydrophobicContact CG2-CD1 3.95Å; T161-I165 WeakPolarHBondContact O-CG1 3.45Å; T161-I165 PolarHBondContact O-N 3.22Å; T161-I165 VanDerWaalsContact O-N 3.07Å; A162-I165 PolarHBondContact O-N 3.45Å; A162-I165 VanDerWaalsContact O-N 3.11Å; I165-W173 HydrophobicContact CB-CZ2 4.27Å; I165-W173 HydrophobicContact CG1-CD2 4.37Å; I165-W173 HydrophobicContact CG1-CZ2 4.15Å; I165-W173 HydrophobicContact CG2-CZ2 4.35Å; I165-A192 HydrophobicContact CG2-CB 3.48Å; I165-A192 VanDerWaalsContact CG2-CB 3.48Å; I165-A195 HydrophobicContact CD1-CB 3.76Å; I165-C196 VanDerWaalsContact CD1-SG 3.6Å
166	E	57.9	Low	58.3	Low	151 Å²	151	75.7 Å²	75.7	71%	0.706	38%	0.378	S	S	*	.	H	α-helix	trans	-61.7	-43.7	174.7	-72.4	175.7	160.4	0	0	112.2	A162 C168 G169	A162-E166 WeakPolarHBondContact O-CG 3.29Å; A162-E166 PolarHBondContact O-N 2.85Å; E166-C168 VanDerWaalsContact C-N 3.29Å; E166-C168 PolarHBondContact O-N 3.1Å; E166-G169 PolarHBondContact O-N 3.23Å
167	L	54.1	Low	59.6	Low	106 Å²	106	66.6 Å²	66.6	56%	0.555	34%	0.341	S	S	*	.	H	α-helix	trans	-61.4	-31.1	-178.4	-100	168.1	0	0	0	114.8	W163	W163-L167 HydrophobicContact CD2-CD1 3.66Å; W163-L167 VanDerWaalsContact CE2-CD1 3.43Å; W163-L167 HydrophobicContact CE3-CD1 3.81Å; W163-L167 HydrophobicContact CG-CD1 4.4Å; W163-L167 HydrophobicContact CH2-CD1 3.61Å; W163-L167 HydrophobicContact CZ2-CD1 3.45Å; W163-L167 VanDerWaalsContact CZ2-CD1 3.45Å; W163-L167 HydrophobicContact CZ3-CD1 3.78Å; W163-L167 VanDerWaalsContact O-CB 3.29Å; W163-L167 WeakPolarHBondContact O-CB 3.37Å; W163-L167 PolarHBondContact O-N 3.33Å
168	C	56.2	Low	60.9	Low	44 Å²	44	63.8 Å²	63.8	30%	0.297	33%	0.327	S	S	.	.	H	α-helix	trans	-90.5	-9.6	-176.9	-69.6	0	0	0	0	113.5	N149 L164 E166 Y170 W173	N149-C168 PolarHBondContact ND2-SG 2.97Å; L164-C168 PolarHBondContact O-N 3.43Å; E166-C168 VanDerWaalsContact C-N 3.29Å; E166-C168 PolarHBondContact O-N 3.1Å; C168-Y170 HydrophobicContact CB-CD2 3.8Å; C168-Y170 HydrophobicContact CB-CE2 4.06Å; C168-Y170 PolarHBondContact O-N 3.03Å; C168-W173 HydrophobicContact CB-CH2 3.44Å; C168-W173 VanDerWaalsContact CB-CH2 3.44Å; C168-W173 HydrophobicContact CB-CZ2 3.7Å
169	G	55.7	Low	61.8	Low	63 Å²	63	55.7 Å²	55.7	65%	0.649	30%	0.303	S	S	*	.			trans	69.6	-3.4	173.4	0	0	0	0	0	116.7	E166	E166-G169 PolarHBondContact O-N 3.23Å
170	Y	60.3	Low	62.7	Low	79 Å²	79	53 Å²	53	31%	0.31	29%	0.289	S	S	.	.			trans	-73.7	131.5	177.4	-57.1	-64.8	0	0	0	111.7	C168 W173 E219	C168-Y170 HydrophobicContact CB-CD2 3.8Å; C168-Y170 HydrophobicContact CB-CE2 4.06Å; C168-Y170 PolarHBondContact O-N 3.03Å; Y170-W173 AromaticContact CD2-CH2 3.81Å; Y170-W173 HydrophobicContact CD2-CH2 3.81Å; Y170-W173 AromaticContact CD2-CZ2 3.9Å; Y170-W173 HydrophobicContact CD2-CZ2 3.9Å; Y170-W173 HydrophobicContact CD2-CZ3 4.28Å; Y170-W173 HydrophobicContact CG-CZ2 4.46Å; Y170-W173 PolarHBondContact O-NE1 3.01Å; Y170-E219 HydrophobicContact CD1-CG 3.91Å; Y170-E219 HydrophobicContact CE1-CB 4.35Å; Y170-E219 HydrophobicContact CE1-CG 3.84Å; Y170-E219 WeakPolarHBondContact CE1-OE1 3.27Å; Y170-E219 WeakPolarHBondContact CE1-OE2 3.38Å; Y170-E219 HydrophobicContact CE2-CB 4.49Å; Y170-E219 HydrophobicContact CG-CG 4.44Å; Y170-E219 PolarHBondContact OH-OE2 3.2Å
171	K	59.5	Low	63.2	Low	180 Å²	180	53 Å²	53	78%	0.783	29%	0.286	S	S	*	.	S	Bend	trans	-73.8	-29.9	179.2	-66.5	-177.3	177.6	179.5	0	113.6	S191	K171-S191 WeakPolarHBondContact O-CA 3.3Å
172	C	61.4	Low	63.6	Low	47 Å²	47	62 Å²	62	32%	0.318	32%	0.319	S	S	.	.	S	Bend	trans	-132.1	145	-173.7	-58	0	0	0	0	109.8	T189 K190 V220	C172-T189 WeakPolarHBondContact CB-O 3.23Å; C172-K190 PolarHBondContact SG-O 2.92Å; C172-V220 HydrophobicContact CB-CB 4.08Å; C172-V220 HydrophobicContact CB-CG2 3.76Å
173	W	73	Confident	63.9	Low	6 Å²	6	63.2 Å²	63.2	2%	0.023	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.3	-171.8	-67.8	82.8	0	0	0	112.8	I165 C168 Y170 T189 A195 L217 V220	I165-W173 HydrophobicContact CB-CZ2 4.27Å; I165-W173 HydrophobicContact CG1-CD2 4.37Å; I165-W173 HydrophobicContact CG1-CZ2 4.15Å; I165-W173 HydrophobicContact CG2-CZ2 4.35Å; C168-W173 HydrophobicContact CB-CH2 3.44Å; C168-W173 VanDerWaalsContact CB-CH2 3.44Å; C168-W173 HydrophobicContact CB-CZ2 3.7Å; Y170-W173 AromaticContact CD2-CH2 3.81Å; Y170-W173 HydrophobicContact CD2-CH2 3.81Å; Y170-W173 AromaticContact CD2-CZ2 3.9Å; Y170-W173 HydrophobicContact CD2-CZ2 3.9Å; Y170-W173 HydrophobicContact CD2-CZ3 4.28Å; Y170-W173 HydrophobicContact CG-CZ2 4.46Å; Y170-W173 PolarHBondContact O-NE1 3.01Å; W173-T189 PolarHBondContact N-O 3.44Å; W173-T189 PolarHBondContact N-OG1 2.81Å; W173-T189 WeakPolarHBondContact O-CB 3.33Å; W173-T189 PolarHBondContact O-N 3.33Å; W173-T189 PolarHBondContact O-OG1 2.89Å; W173-A195 HydrophobicContact CB-CB 3.9Å; W173-A195 HydrophobicContact CG-CB 4.17Å; W173-L217 HydrophobicContact CE3-CB 3.96Å; W173-L217 HydrophobicContact CZ3-CB 3.95Å; W173-V220 VanDerWaalsContact C-CG2 3.45Å
174	V	76.9	Confident	64.4	Low	14 Å²	14	61.8 Å²	61.8	9%	0.085	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.5	164	-167.8	0	0	0	0	108.7	K176 V186 H187 V188 L217 E218 V220	V174-K176 HydrophobicContact CG1-CG 3.98Å; V174-V186 HydrophobicContact CG1-CG1 3.86Å; V174-H187 WeakPolarHBondContact CA-O 3.45Å; V174-V188 HydrophobicContact CG1-CG2 4.3Å; V174-V188 HydrophobicContact CG2-CG2 4.22Å; V174-L217 WeakPolarHBondContact O-CA 3.09Å; V174-E218 HydrophobicContact CB-CB 4.26Å; V174-E218 PolarHBondContact N-O 2.83Å; V174-E218 PolarHBondContact O-N 3.04Å; V174-V220 HydrophobicContact CG2-CB 4.46Å; V174-V220 HydrophobicContact CG2-CG2 3.77Å
175	V	78.9	Confident	65	Low	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.9	174.4	-169.9	0	0	0	0	108.3	H187 T189 T198 V199 F202 I215 L217	V175-H187 PolarHBondContact N-O 2.85Å; V175-H187 PolarHBondContact O-N 3.49Å; V175-T189 HydrophobicContact CG2-CG2 4.27Å; V175-T198 HydrophobicContact CB-CG2 3.79Å; V175-T198 HydrophobicContact CG1-CG2 3.99Å; V175-T198 HydrophobicContact CG2-CG2 4Å; V175-V199 HydrophobicContact CG1-CG2 3.81Å; V175-V199 HydrophobicContact CG2-CG2 4.13Å; V175-F202 HydrophobicContact CG1-CD2 4.09Å; V175-F202 HydrophobicContact CG1-CE2 3.9Å; V175-F202 HydrophobicContact CG1-CZ 4.44Å; V175-I215 HydrophobicContact CG1-CD1 4.41Å; V175-L217 HydrophobicContact CB-CD2 4.3Å; V175-L217 HydrophobicContact CG1-CD2 4.17Å; V175-L217 HydrophobicContact CG2-CD2 3.79Å
176	K	76.8	Confident	65.8	Low	25 Å²	25	61.9 Å²	61.9	11%	0.109	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.2	178.6	-61	-172.4	168	163.3	0	111	V174 G185 V186 I215 V216 E218 L315	V174-K176 HydrophobicContact CG1-CG 3.98Å; K176-G185 CarbonylContact C-O 3.53Å; K176-G185 WeakPolarHBondContact CA-O 3.41Å; K176-V186 HydrophobicContact CD-CG2 4.34Å; K176-V186 HydrophobicContact CG-CB 4.46Å; K176-V186 HydrophobicContact CG-CG1 4.09Å; K176-V186 HydrophobicContact CG-CG2 4.03Å; K176-I215 CarbonylContact O-C 3.53Å; K176-I215 WeakPolarHBondContact O-CA 3.49Å; K176-I215 WeakPolarHBondContact O-CB 3.4Å; K176-V216 HydrophobicContact CB-CB 4.33Å; K176-V216 PolarHBondContact N-O 2.87Å; K176-V216 PolarHBondContact O-N 2.98Å; K176-E218 WeakPolarHBondContact CD-OE2 3.22Å; K176-E218 WeakPolarHBondContact CE-OE2 3.24Å; K176-E218 IonicContact NZ-OE2 2.75Å; K176-E218 PolarHBondContact NZ-OE2 2.85Å; K176-L315 PolarHBondContact NZ-O 3.19Å
177	A	74.9	Confident	66.7	Low	13 Å²	13	58.7 Å²	58.7	11%	0.107	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.1	164.5	0	0	0	0	0	109.6	T181 G185 F202 Y208	A177-T181 HydrophobicContact CB-CG2 4.01Å; A177-G185 PolarHBondContact N-O 3.31Å; A177-F202 HydrophobicContact CB-CD2 3.95Å; A177-F202 HydrophobicContact CB-CE2 3.96Å; A177-Y208 HydrophobicContact CB-CD2 4.11Å
178	V	71.5	Confident	67.9	Low	38 Å²	38	56.7 Å²	56.7	23%	0.23	31%	0.312	C	S	.	.	S	Bend	trans	-75.8	-27.8	-175.6	171.9	0	0	0	0	113.2	F140 E214 V216	F140-V178 WeakPolarHBondContact CD1-O 3.43Å; V178-E214 HydrophobicContact CB-CB 4.19Å; V178-E214 HydrophobicContact CG2-CB 3.99Å; V178-E214 HydrophobicContact CG2-CG 3.96Å; V178-E214 WeakPolarHBondContact CG2-O 3.36Å; V178-E214 PolarHBondContact N-O 3.11Å; V178-V216 HydrophobicContact CG2-CG2 3.83Å
179	G	65.7	Low	69	Low	22 Å²	22	54.7 Å²	54.7	23%	0.227	30%	0.298	C	S	.	.	S	Bend	trans	-91.9	171.2	-177.6	0	0	0	0	0	115.2	T181 A211	G179-T181 PolarHBondContact O-N 3.19Å; G179-A211 WeakPolarHBondContact CA-O 3.38Å; G179-A211 PolarHBondContact N-O 3.38Å
180	L	63.8	Low	70.1	Confident	74 Å²	74	60.1 Å²	60.1	39%	0.387	30%	0.304	S	S	.	.			trans	-54.4	106.2	177.3	-76.7	166.9	0	0	0	112.5	E110 A114 E139 F140	E110-L180 HydrophobicContact CG-CD2 4.38Å; A114-L180 HydrophobicContact CB-CD1 4.25Å; E139-L180 VanDerWaalsContact OE2-CD2 3.22Å; E139-L180 WeakPolarHBondContact OE2-CD2 3.42Å; F140-L180 HydrophobicContact CE1-CD2 3.65Å; F140-L180 HydrophobicContact CE1-CG 3.6Å; F140-L180 HydrophobicContact CZ-CD1 4.17Å; F140-L180 HydrophobicContact CZ-CD2 3.81Å; F140-L180 HydrophobicContact CZ-CG 3.7Å
181	T	63	Low	71	Confident	25 Å²	25	58.1 Å²	58.1	15%	0.153	30%	0.301	C	S	.	.			trans	-121.4	9.6	177.5	51.8	0	0	0	0	113.1	A177 G179 G183 K184 G185 Y208 A211	A177-T181 HydrophobicContact CB-CG2 4.01Å; G179-T181 PolarHBondContact O-N 3.19Å; T181-G183 VanDerWaalsContact C-N 3.32Å; T181-G183 PolarHBondContact O-N 3.47Å; T181-K184 WeakPolarHBondContact O-CB 3.29Å; T181-K184 PolarHBondContact O-N 2.73Å; T181-G185 VanDerWaalsContact OG1-CA 3.25Å; T181-G185 WeakPolarHBondContact OG1-CA 3.24Å; T181-G185 PolarHBondContact OG1-N 2.64Å; T181-Y208 HydrophobicContact CG2-CD1 3.75Å; T181-Y208 HydrophobicContact CG2-CD2 3.93Å; T181-Y208 HydrophobicContact CG2-CE1 4.31Å; T181-Y208 HydrophobicContact CG2-CE2 4.46Å; T181-Y208 HydrophobicContact CG2-CG 3.56Å; T181-A211 HydrophobicContact CG2-CB 4.13Å
182	R	61.3	Low	71.7	Confident	200 Å²	200	51.1 Å²	51.1	76%	0.755	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	49.8	-178.1	-62.2	-178.8	173.9	173.3	-2.5	112.3	D111 K184	D111-R182 IonicContact OD2-CZ 2.96Å; D111-R182 IonicContact OD2-NE 2.74Å; D111-R182 PolarHBondContact OD2-NE 2.87Å; D111-R182 IonicContact OD2-NH2 3.89Å; D111-R182 PolarHBondContact OD2-NH2 3.1Å; R182-K184 PolarHBondContact O-N 3.34Å
183	G	60.4	Low	72.6	Confident	58 Å²	58	55.4 Å²	55.4	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-5.9	-178.2	0	0	0	0	0	116.1	T181	T181-G183 VanDerWaalsContact C-N 3.32Å; T181-G183 PolarHBondContact O-N 3.47Å
184	K	64.1	Low	73	Confident	117 Å²	117	58.7 Å²	58.7	51%	0.509	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-21.1	-175.5	-59	-171	173.2	-166.2	0	113.8	T181 R182 V186 Y208 P400	T181-K184 WeakPolarHBondContact O-CB 3.29Å; T181-K184 PolarHBondContact O-N 2.73Å; R182-K184 PolarHBondContact O-N 3.34Å; K184-V186 PolarHBondContact O-N 3.5Å; K184-Y208 HydrophobicContact CB-CE1 4.39Å; K184-Y208 PolarHBondContact O-OH 3.16Å; K184-P400 PolarHBondContact NZ-O 3.36Å
185	G	70.5	Confident	73.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	12.5	-176.9	0	0	0	0	0	115.9	K176 A177 T181 F202	K176-G185 CarbonylContact C-O 3.53Å; K176-G185 WeakPolarHBondContact CA-O 3.41Å; A177-G185 PolarHBondContact N-O 3.31Å; T181-G185 VanDerWaalsContact OG1-CA 3.25Å; T181-G185 WeakPolarHBondContact OG1-CA 3.24Å; T181-G185 PolarHBondContact OG1-N 2.64Å; G185-F202 WeakPolarHBondContact O-CE2 3.4Å
186	V	75.4	Confident	73.2	Confident	37 Å²	37	58.9 Å²	58.9	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.4	179.7	-179.3	0	0	0	0	109.6	V174 K176 K184	V174-V186 HydrophobicContact CG1-CG1 3.86Å; K176-V186 HydrophobicContact CD-CG2 4.34Å; K176-V186 HydrophobicContact CG-CB 4.46Å; K176-V186 HydrophobicContact CG-CG1 4.09Å; K176-V186 HydrophobicContact CG-CG2 4.03Å; K184-V186 PolarHBondContact O-N 3.5Å
187	H	76.5	Confident	73.5	Confident	84 Å²	84	60.5 Å²	60.5	39%	0.389	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.4	-177.8	-80.2	-122.3	0	0	0	110.3	V174 V175 T198 F202	V174-H187 WeakPolarHBondContact CA-O 3.45Å; V175-H187 PolarHBondContact N-O 2.85Å; V175-H187 PolarHBondContact O-N 3.49Å; H187-T198 HydrophobicContact CB-CG2 3.61Å; H187-F202 HydrophobicContact CB-CZ 4.4Å; H187-F202 AromaticContact CD2-CE1 3.99Å; H187-F202 AromaticContact CD2-CZ 3.61Å
188	V	79.5	Confident	73.8	Confident	65 Å²	65	60.3 Å²	60.3	39%	0.394	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	116.4	174.3	178.5	0	0	0	0	107.9	V174 V220	V174-V188 HydrophobicContact CG1-CG2 4.3Å; V174-V188 HydrophobicContact CG2-CG2 4.22Å; V188-V220 HydrophobicContact CG1-CG1 4.09Å; V188-V220 HydrophobicContact CG1-CG2 4.06Å
189	T	79.4	Confident	74.2	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.2	-171.7	65.8	0	0	0	0	111.6	C172 W173 V175 E194	C172-T189 WeakPolarHBondContact CB-O 3.23Å; W173-T189 PolarHBondContact N-O 3.44Å; W173-T189 PolarHBondContact N-OG1 2.81Å; W173-T189 WeakPolarHBondContact O-CB 3.33Å; W173-T189 PolarHBondContact O-N 3.33Å; W173-T189 PolarHBondContact O-OG1 2.89Å; V175-T189 HydrophobicContact CG2-CG2 4.27Å; T189-E194 HydrophobicContact CG2-CB 4.44Å; T189-E194 HydrophobicContact CG2-CG 3.91Å
190	K	80.2	Confident	74.9	Confident	177 Å²	177	59.3 Å²	59.3	77%	0.77	32%	0.315	S	S	*	.	S	Bend	trans	-90.3	-11.7	-173.3	-57.7	177.9	-176.5	178.2	0	113.5	C172 E194	C172-K190 PolarHBondContact SG-O 2.92Å; K190-E194 WeakPolarHBondContact CB-OE2 3.46Å; K190-E194 PolarHBondContact N-OE2 3.43Å
191	S	77.4	Confident	75.8	Confident	37 Å²	37	57 Å²	57	26%	0.259	31%	0.305	S	S	.	.	S	Bend	trans	-154	165.5	178.7	85.1	0	0	0	0	112.5	K171 E193 E194 A195	K171-S191 WeakPolarHBondContact O-CA 3.3Å; S191-E193 VanDerWaalsContact C-N 3.26Å; S191-E193 WeakPolarHBondContact CB-OE2 3.12Å; S191-E193 PolarHBondContact O-N 3.11Å; S191-E193 PolarHBondContact OG-N 3.09Å; S191-E193 PolarHBondContact OG-OE2 3.39Å; S191-E194 PolarHBondContact O-N 3.06Å; S191-E194 PolarHBondContact OG-N 2.76Å; S191-A195 PolarHBondContact O-N 3Å
192	A	75.9	Confident	76.4	Confident	32 Å²	32	55.8 Å²	55.8	26%	0.264	30%	0.297	S	S	.	.	H	α-helix	trans	-58.4	-35.4	174	0	0	0	0	0	113.1	I165 C196	I165-A192 HydrophobicContact CG2-CB 3.48Å; I165-A192 VanDerWaalsContact CG2-CB 3.48Å; A192-C196 WeakPolarHBondContact O-CB 3.32Å; A192-C196 PolarHBondContact O-N 3.16Å; A192-C196 PolarHBondContact O-SG 3.22Å
193	E	78.9	Confident	77.2	Confident	137 Å²	137	48.4 Å²	48.4	64%	0.64	27%	0.272	S	S	*	.	H	α-helix	trans	-69	-43	178.3	-56.5	74.2	-160.9	0	0	111.4	S191 C196 A197	S191-E193 VanDerWaalsContact C-N 3.26Å; S191-E193 WeakPolarHBondContact CB-OE2 3.12Å; S191-E193 PolarHBondContact O-N 3.11Å; S191-E193 PolarHBondContact OG-N 3.09Å; S191-E193 PolarHBondContact OG-OE2 3.39Å; E193-C196 PolarHBondContact O-N 2.82Å; E193-A197 WeakPolarHBondContact O-CB 3.47Å; E193-A197 PolarHBondContact O-N 3.13Å
194	E	82.6	Confident	77.9	Confident	75 Å²	75	53.2 Å²	53.2	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-38.2	176.4	-172.6	-179.9	-162.1	0	0	111.2	T189 K190 S191 A197 T198	T189-E194 HydrophobicContact CG2-CB 4.44Å; T189-E194 HydrophobicContact CG2-CG 3.91Å; K190-E194 WeakPolarHBondContact CB-OE2 3.46Å; K190-E194 PolarHBondContact N-OE2 3.43Å; S191-E194 PolarHBondContact O-N 3.06Å; S191-E194 PolarHBondContact OG-N 2.76Å; E194-A197 PolarHBondContact O-N 3.2Å; E194-T198 WeakPolarHBondContact O-CB 3.46Å; E194-T198 PolarHBondContact O-N 3.05Å; E194-T198 PolarHBondContact O-OG1 2.92Å
195	A	79.2	Confident	78.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-50.4	170.3	0	0	0	0	0	111.4	I165 W173 S191 A197 T198 V199	I165-A195 HydrophobicContact CD1-CB 3.76Å; W173-A195 HydrophobicContact CB-CB 3.9Å; W173-A195 HydrophobicContact CG-CB 4.17Å; S191-A195 PolarHBondContact O-N 3Å; A195-A197 VanDerWaalsContact C-N 3.34Å; A195-A197 PolarHBondContact O-N 3.42Å; A195-T198 PolarHBondContact O-N 3Å; A195-V199 WeakPolarHBondContact O-CB 3.31Å; A195-V199 VanDerWaalsContact O-CG2 3.29Å; A195-V199 WeakPolarHBondContact O-CG2 3.11Å; A195-V199 PolarHBondContact O-N 3.03Å
196	C	80.2	Confident	79	Confident	18 Å²	18	58.8 Å²	58.8	12%	0.122	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-41.4	176.7	-73	0	0	0	0	112.9	I165 A192 E193 T200	I165-C196 VanDerWaalsContact CD1-SG 3.6Å; A192-C196 WeakPolarHBondContact O-CB 3.32Å; A192-C196 PolarHBondContact O-N 3.16Å; A192-C196 PolarHBondContact O-SG 3.22Å; E193-C196 PolarHBondContact O-N 2.82Å; C196-T200 WeakPolarHBondContact O-CB 3.49Å; C196-T200 PolarHBondContact O-N 3.09Å; C196-T200 PolarHBondContact O-OG1 3.17Å
197	A	82.9	Confident	79.1	Confident	59 Å²	59	61 Å²	61	49%	0.488	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-44.9	177	0	0	0	0	0	111.5	E193 E194 A195 T200 S201	E193-A197 WeakPolarHBondContact O-CB 3.47Å; E193-A197 PolarHBondContact O-N 3.13Å; E194-A197 PolarHBondContact O-N 3.2Å; A195-A197 VanDerWaalsContact C-N 3.34Å; A195-A197 PolarHBondContact O-N 3.42Å; A197-T200 WeakPolarHBondContact O-CB 3.48Å; A197-T200 PolarHBondContact O-N 2.83Å; A197-S201 PolarHBondContact O-N 2.83Å
198	T	81.7	Confident	78.9	Confident	10 Å²	10	59.5 Å²	59.5	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-48.1	178.3	-57.5	0	0	0	0	111.4	V175 H187 E194 A195 T200 S201 F202	V175-T198 HydrophobicContact CB-CG2 3.79Å; V175-T198 HydrophobicContact CG1-CG2 3.99Å; V175-T198 HydrophobicContact CG2-CG2 4Å; H187-T198 HydrophobicContact CB-CG2 3.61Å; E194-T198 WeakPolarHBondContact O-CB 3.46Å; E194-T198 PolarHBondContact O-N 3.05Å; E194-T198 PolarHBondContact O-OG1 2.92Å; A195-T198 PolarHBondContact O-N 3Å; T198-T200 VanDerWaalsContact C-N 3.27Å; T198-T200 PolarHBondContact O-N 2.8Å; T198-S201 PolarHBondContact O-N 2.9Å; T198-S201 PolarHBondContact O-OG 2.93Å; T198-F202 HydrophobicContact CG2-CD1 4.27Å; T198-F202 HydrophobicContact CG2-CE1 3.66Å; T198-F202 HydrophobicContact CG2-CZ 3.85Å; T198-F202 WeakPolarHBondContact O-CD1 3.3Å; T198-F202 PolarHBondContact O-N 2.84Å; T198-F202 VanDerWaalsContact O-N 3.08Å
199	V	79.6	Confident	78.8	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-57.6	-40.3	174.3	170.2	0	0	0	0	111.7	T161 V175 A195 F202 L203 I215 L217	T161-V199 HydrophobicContact CG2-CB 3.88Å; T161-V199 HydrophobicContact CG2-CG1 3.64Å; T161-V199 HydrophobicContact CG2-CG2 4.01Å; V175-V199 HydrophobicContact CG1-CG2 3.81Å; V175-V199 HydrophobicContact CG2-CG2 4.13Å; A195-V199 WeakPolarHBondContact O-CB 3.31Å; A195-V199 VanDerWaalsContact O-CG2 3.29Å; A195-V199 WeakPolarHBondContact O-CG2 3.11Å; A195-V199 PolarHBondContact O-N 3.03Å; V199-F202 PolarHBondContact O-N 2.8Å; V199-L203 HydrophobicContact CG1-CD1 3.85Å; V199-L203 HydrophobicContact CG1-CG 4.48Å; V199-L203 PolarHBondContact O-N 2.86Å; V199-I215 HydrophobicContact CB-CD1 4.11Å; V199-I215 HydrophobicContact CG1-CD1 3.59Å; V199-I215 HydrophobicContact CG2-CD1 3.63Å; V199-L217 HydrophobicContact CG2-CD2 3.9Å
200	T	80.2	Confident	78.4	Confident	36 Å²	36	72.6 Å²	72.6	22%	0.221	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-46.2	174.8	-57.7	0	0	0	0	110.7	C196 A197 T198 F202 K204 D205	C196-T200 WeakPolarHBondContact O-CB 3.49Å; C196-T200 PolarHBondContact O-N 3.09Å; C196-T200 PolarHBondContact O-OG1 3.17Å; A197-T200 WeakPolarHBondContact O-CB 3.48Å; A197-T200 PolarHBondContact O-N 2.83Å; T198-T200 VanDerWaalsContact C-N 3.27Å; T198-T200 PolarHBondContact O-N 2.8Å; T200-F202 VanDerWaalsContact C-N 3.32Å; T200-F202 PolarHBondContact O-N 3.06Å; T200-K204 HydrophobicContact CG2-CB 3.96Å; T200-K204 HydrophobicContact CG2-CD 3.79Å; T200-K204 WeakPolarHBondContact O-CA 3.33Å; T200-K204 WeakPolarHBondContact O-CB 3.36Å; T200-K204 PolarHBondContact O-N 2.88Å; T200-D205 PolarHBondContact O-N 2.83Å
201	S	82.2	Confident	77.8	Confident	24 Å²	24	65.3 Å²	65.3	17%	0.168	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-35.7	179.6	74.7	0	0	0	0	113.5	A197 T198 D205 K206 I207	A197-S201 PolarHBondContact O-N 2.83Å; T198-S201 PolarHBondContact O-N 2.9Å; T198-S201 PolarHBondContact O-OG 2.93Å; S201-D205 WeakPolarHBondContact CA-OD2 3.48Å; S201-D205 CarbonylContact O-C 3.59Å; S201-K206 PolarHBondContact O-N 3.1Å; S201-K206 VanDerWaalsContact O-N 3.15Å; S201-I207 PolarHBondContact O-N 3.24Å
202	F	77.6	Confident	77.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-74.4	-52.8	179.4	-70.5	22.8	0	0	0	111	V175 A177 G185 H187 T198 V199 T200 K206 I207 Y208 I215	V175-F202 HydrophobicContact CG1-CD2 4.09Å; V175-F202 HydrophobicContact CG1-CE2 3.9Å; V175-F202 HydrophobicContact CG1-CZ 4.44Å; A177-F202 HydrophobicContact CB-CD2 3.95Å; A177-F202 HydrophobicContact CB-CE2 3.96Å; G185-F202 WeakPolarHBondContact O-CE2 3.4Å; H187-F202 HydrophobicContact CB-CZ 4.4Å; H187-F202 AromaticContact CD2-CE1 3.99Å; H187-F202 AromaticContact CD2-CZ 3.61Å; T198-F202 HydrophobicContact CG2-CD1 4.27Å; T198-F202 HydrophobicContact CG2-CE1 3.66Å; T198-F202 HydrophobicContact CG2-CZ 3.85Å; T198-F202 WeakPolarHBondContact O-CD1 3.3Å; T198-F202 PolarHBondContact O-N 2.84Å; T198-F202 VanDerWaalsContact O-N 3.08Å; V199-F202 PolarHBondContact O-N 2.8Å; T200-F202 VanDerWaalsContact C-N 3.32Å; T200-F202 PolarHBondContact O-N 3.06Å; F202-K206 WeakPolarHBondContact O-CA 3.28Å; F202-K206 PolarHBondContact O-N 3.14Å; F202-I207 HydrophobicContact CD1-CD1 3.69Å; F202-I207 HydrophobicContact CD1-CG1 4.06Å; F202-I207 HydrophobicContact CE1-CD1 3.84Å; F202-Y208 HydrophobicContact CD1-CD2 4.22Å; F202-Y208 AromaticContact CD1-CE2 3.94Å; F202-Y208 HydrophobicContact CD1-CE2 3.94Å; F202-Y208 HydrophobicContact CD2-CD2 4.46Å; F202-Y208 HydrophobicContact CE1-CD2 4.31Å; F202-Y208 AromaticContact CE1-CE2 3.6Å; F202-Y208 HydrophobicContact CE1-CE2 3.6Å; F202-Y208 HydrophobicContact CE2-CE2 4.21Å; F202-Y208 HydrophobicContact CG-CD2 4.34Å; F202-Y208 HydrophobicContact CG-CE2 4.42Å; F202-Y208 HydrophobicContact CZ-CD2 4.47Å; F202-Y208 AromaticContact CZ-CE2 3.76Å; F202-Y208 HydrophobicContact CZ-CE2 3.76Å; F202-I215 HydrophobicContact CB-CG2 4.04Å; F202-I215 HydrophobicContact CD2-CG2 3.78Å; F202-I215 HydrophobicContact CG-CG2 4.43Å
203	L	76.3	Confident	76.9	Confident	45 Å²	45	65 Å²	65	24%	0.236	33%	0.33	C	S	.	.	H	α-helix	trans	-85.5	-36.6	-170.9	-65.6	179.1	0	0	0	114.3	V199 S213 I215	V199-L203 HydrophobicContact CG1-CD1 3.85Å; V199-L203 HydrophobicContact CG1-CG 4.48Å; V199-L203 PolarHBondContact O-N 2.86Å; L203-S213 WeakPolarHBondContact CD2-O 3.35Å; L203-I215 HydrophobicContact CD1-CD1 3.92Å; L203-I215 HydrophobicContact CD1-CG1 4.19Å; L203-I215 HydrophobicContact CD2-CG1 4.44Å; L203-I215 HydrophobicContact CD2-CG2 4.07Å; L203-I215 HydrophobicContact CG-CD1 4.32Å; L203-I215 HydrophobicContact CG-CG1 4.46Å; L203-I215 HydrophobicContact CG-CG2 4.31Å
204	K	75.8	Confident	76.6	Confident	159 Å²	159	62.2 Å²	62.2	69%	0.691	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-52.1	-176.5	-170.9	-166.3	174.6	-164.4	0	111.2	T200 K206	T200-K204 HydrophobicContact CG2-CB 3.96Å; T200-K204 HydrophobicContact CG2-CD 3.79Å; T200-K204 WeakPolarHBondContact O-CA 3.33Å; T200-K204 WeakPolarHBondContact O-CB 3.36Å; T200-K204 PolarHBondContact O-N 2.88Å; K204-K206 VanDerWaalsContact C-N 3.29Å
205	D	78.4	Confident	76.2	Confident	96 Å²	96	58.7 Å²	58.7	51%	0.513	30%	0.3	S	S	.	.	S	Bend	trans	-85.6	-8.2	-174.7	-47.7	-32.8	0	0	0	112	T200 S201 I207	T200-D205 PolarHBondContact O-N 2.83Å; S201-D205 WeakPolarHBondContact CA-OD2 3.48Å; S201-D205 CarbonylContact O-C 3.59Å; D205-I207 VanDerWaalsContact C-N 3.31Å; D205-I207 HydrophobicContact CB-CG2 4.45Å; D205-I207 PolarHBondContact O-N 3.22Å
206	K	79.5	Confident	75.9	Confident	139 Å²	139	59.1 Å²	59.1	60%	0.604	30%	0.303	S	S	*	.			trans	53.6	40.5	171.9	-59.7	-173.4	178.8	-174	0	113.8	S201 F202 K204 Y208 K209	S201-K206 PolarHBondContact O-N 3.1Å; S201-K206 VanDerWaalsContact O-N 3.15Å; F202-K206 WeakPolarHBondContact O-CA 3.28Å; F202-K206 PolarHBondContact O-N 3.14Å; K204-K206 VanDerWaalsContact C-N 3.29Å; K206-Y208 PolarHBondContact O-N 3.09Å; K206-K209 PolarHBondContact O-N 3.14Å
207	I	77.9	Confident	75.6	Confident	82 Å²	82	58.4 Å²	58.4	42%	0.421	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.5	-176.7	64.6	171.8	0	0	0	113.7	S201 F202 D205	S201-I207 PolarHBondContact O-N 3.24Å; F202-I207 HydrophobicContact CD1-CD1 3.69Å; F202-I207 HydrophobicContact CD1-CG1 4.06Å; F202-I207 HydrophobicContact CE1-CD1 3.84Å; D205-I207 VanDerWaalsContact C-N 3.31Å; D205-I207 HydrophobicContact CB-CG2 4.45Å; D205-I207 PolarHBondContact O-N 3.22Å
208	Y	70.9	Confident	75.1	Confident	53 Å²	53	56.6 Å²	56.6	21%	0.208	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	17.5	175.7	-58.4	-53.4	0	0	0	114.1	A177 T181 K184 F202 K206 E210 A211 G212	A177-Y208 HydrophobicContact CB-CD2 4.11Å; T181-Y208 HydrophobicContact CG2-CD1 3.75Å; T181-Y208 HydrophobicContact CG2-CD2 3.93Å; T181-Y208 HydrophobicContact CG2-CE1 4.31Å; T181-Y208 HydrophobicContact CG2-CE2 4.46Å; T181-Y208 HydrophobicContact CG2-CG 3.56Å; K184-Y208 HydrophobicContact CB-CE1 4.39Å; K184-Y208 PolarHBondContact O-OH 3.16Å; F202-Y208 HydrophobicContact CD1-CD2 4.22Å; F202-Y208 AromaticContact CD1-CE2 3.94Å; F202-Y208 HydrophobicContact CD1-CE2 3.94Å; F202-Y208 HydrophobicContact CD2-CD2 4.46Å; F202-Y208 HydrophobicContact CE1-CD2 4.31Å; F202-Y208 AromaticContact CE1-CE2 3.6Å; F202-Y208 HydrophobicContact CE1-CE2 3.6Å; F202-Y208 HydrophobicContact CE2-CE2 4.21Å; F202-Y208 HydrophobicContact CG-CD2 4.34Å; F202-Y208 HydrophobicContact CG-CE2 4.42Å; F202-Y208 HydrophobicContact CZ-CD2 4.47Å; F202-Y208 AromaticContact CZ-CE2 3.76Å; F202-Y208 HydrophobicContact CZ-CE2 3.76Å; K206-Y208 PolarHBondContact O-N 3.09Å; Y208-E210 PolarHBondContact O-N 2.89Å; Y208-A211 WeakPolarHBondContact O-CB 3.42Å; Y208-A211 PolarHBondContact O-N 3.11Å; Y208-G212 PolarHBondContact O-N 3.42Å
209	K	77.4	Confident	74.7	Confident	174 Å²	174	60 Å²	60	76%	0.757	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	50.5	-124.8	-177.1	-57.6	179.3	-179.3	178.6	0	111.1	K206 G212	K206-K209 PolarHBondContact O-N 3.14Å; K209-G212 PolarHBondContact O-N 2.93Å
210	E	72.6	Confident	74.7	Confident	168 Å²	168	61.7 Å²	61.7	79%	0.785	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-71.5	-29.2	179.3	-60.9	-168.4	151.6	0	0	113.1	Y208 G212 S213	Y208-E210 PolarHBondContact O-N 2.89Å; E210-G212 PolarHBondContact O-N 3.18Å; E210-S213 WeakPolarHBondContact O-CB 3.3Å; E210-S213 PolarHBondContact O-N 2.9Å; E210-S213 PolarHBondContact O-OG 2.88Å
211	A	65.9	Low	74.7	Confident	24 Å²	24	62.5 Å²	62.5	20%	0.198	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65.6	-22.7	177.9	0	0	0	0	0	113	G179 T181 Y208	G179-A211 WeakPolarHBondContact CA-O 3.38Å; G179-A211 PolarHBondContact N-O 3.38Å; T181-A211 HydrophobicContact CG2-CB 4.13Å; Y208-A211 WeakPolarHBondContact O-CB 3.42Å; Y208-A211 PolarHBondContact O-N 3.11Å
212	G	65.3	Low	74.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-95	9.5	172.9	0	0	0	0	0	115	Y208 K209 E210 E214	Y208-G212 PolarHBondContact O-N 3.42Å; K209-G212 PolarHBondContact O-N 2.93Å; E210-G212 PolarHBondContact O-N 3.18Å; G212-E214 VanDerWaalsContact C-N 3.35Å; G212-E214 PolarHBondContact O-N 3.14Å
213	S	70.5	Confident	74.7	Confident	63 Å²	63	69.1 Å²	69.1	44%	0.441	36%	0.355	S	S	.	.	S	Bend	trans	-73.9	-22.9	-174.2	65	0	0	0	0	114.3	S153 L203 E210	S153-S213 VanDerWaalsContact CB-O 3.28Å; S153-S213 WeakPolarHBondContact CB-O 3.42Å; L203-S213 WeakPolarHBondContact CD2-O 3.35Å; E210-S213 WeakPolarHBondContact O-CB 3.3Å; E210-S213 PolarHBondContact O-N 2.9Å; E210-S213 PolarHBondContact O-OG 2.88Å
214	E	72.4	Confident	75	Confident	79 Å²	79	68.5 Å²	68.5	37%	0.369	35%	0.35	S	S	.	.	S	Bend	trans	-128	145.7	171.5	-169.4	171.3	-149.5	0	0	108.8	I150 V178 G212	I150-E214 HydrophobicContact CG2-CG 3.91Å; I150-E214 WeakPolarHBondContact CG2-OE1 3.48Å; V178-E214 HydrophobicContact CB-CB 4.19Å; V178-E214 HydrophobicContact CG2-CB 3.99Å; V178-E214 HydrophobicContact CG2-CG 3.96Å; V178-E214 WeakPolarHBondContact CG2-O 3.36Å; V178-E214 PolarHBondContact N-O 3.11Å; G212-E214 VanDerWaalsContact C-N 3.35Å; G212-E214 PolarHBondContact O-N 3.14Å
215	I	73.9	Confident	75.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.9	-177.7	62.9	164.3	0	0	0	112	L151 V175 K176 V199 F202 L203	L151-I215 HydrophobicContact CB-CD1 4.3Å; L151-I215 HydrophobicContact CB-CG1 3.92Å; L151-I215 HydrophobicContact CD1-CD1 4.35Å; L151-I215 PolarHBondContact N-O 3.11Å; V175-I215 HydrophobicContact CG1-CD1 4.41Å; K176-I215 CarbonylContact O-C 3.53Å; K176-I215 WeakPolarHBondContact O-CA 3.49Å; K176-I215 WeakPolarHBondContact O-CB 3.4Å; V199-I215 HydrophobicContact CB-CD1 4.11Å; V199-I215 HydrophobicContact CG1-CD1 3.59Å; V199-I215 HydrophobicContact CG2-CD1 3.63Å; F202-I215 HydrophobicContact CB-CG2 4.04Å; F202-I215 HydrophobicContact CD2-CG2 3.78Å; F202-I215 HydrophobicContact CG-CG2 4.43Å; L203-I215 HydrophobicContact CD1-CD1 3.92Å; L203-I215 HydrophobicContact CD1-CG1 4.19Å; L203-I215 HydrophobicContact CD2-CG1 4.44Å; L203-I215 HydrophobicContact CD2-CG2 4.07Å; L203-I215 HydrophobicContact CG-CD1 4.32Å; L203-I215 HydrophobicContact CG-CG1 4.46Å; L203-I215 HydrophobicContact CG-CG2 4.31Å
216	V	73.1	Confident	76	Confident	10 Å²	10	59.8 Å²	59.8	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.2	168.4	-168.6	0	0	0	0	108.3	R148 K176 V178 E218	R148-V216 HydrophobicContact CB-CG1 4.4Å; R148-V216 HydrophobicContact CG-CG1 4.38Å; K176-V216 HydrophobicContact CB-CB 4.33Å; K176-V216 PolarHBondContact N-O 2.87Å; K176-V216 PolarHBondContact O-N 2.98Å; V178-V216 HydrophobicContact CG2-CG2 3.83Å; V216-E218 HydrophobicContact CG1-CG 3.73Å
217	L	73.4	Confident	76.4	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.8	166	-67.3	178.4	0	0	0	109	N149 L151 W173 V174 V175 V199	N149-L217 PolarHBondContact O-N 3.29Å; L151-L217 HydrophobicContact CD1-CD1 3.77Å; W173-L217 HydrophobicContact CE3-CB 3.96Å; W173-L217 HydrophobicContact CZ3-CB 3.95Å; V174-L217 WeakPolarHBondContact O-CA 3.09Å; V175-L217 HydrophobicContact CB-CD2 4.3Å; V175-L217 HydrophobicContact CG1-CD2 4.17Å; V175-L217 HydrophobicContact CG2-CD2 3.79Å; V199-L217 HydrophobicContact CG2-CD2 3.9Å
218	E	72.4	Confident	77	Confident	20 Å²	20	49.3 Å²	49.3	9%	0.093	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.2	178.8	-49.8	-172.7	129.1	0	0	111.1	R148 V174 K176 V216	R148-E218 IonicContact CZ-OE1 3.53Å; R148-E218 IonicContact NE-OE1 2.9Å; R148-E218 PolarHBondContact NE-OE1 3.31Å; R148-E218 IonicContact NH2-OE1 2.69Å; R148-E218 PolarHBondContact NH2-OE1 2.96Å; V174-E218 HydrophobicContact CB-CB 4.26Å; V174-E218 PolarHBondContact N-O 2.83Å; V174-E218 PolarHBondContact O-N 3.04Å; K176-E218 WeakPolarHBondContact CD-OE2 3.22Å; K176-E218 WeakPolarHBondContact CE-OE2 3.24Å; K176-E218 IonicContact NZ-OE2 2.75Å; K176-E218 PolarHBondContact NZ-OE2 2.85Å; V216-E218 HydrophobicContact CG1-CG 3.73Å
219	E	74.2	Confident	78	Confident	83 Å²	83	46.9 Å²	46.9	39%	0.388	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	143.3	168.9	-179.3	174.6	-172.1	0	0	110.6	Y170 L221	Y170-E219 HydrophobicContact CD1-CG 3.91Å; Y170-E219 HydrophobicContact CE1-CB 4.35Å; Y170-E219 HydrophobicContact CE1-CG 3.84Å; Y170-E219 WeakPolarHBondContact CE1-OE1 3.27Å; Y170-E219 WeakPolarHBondContact CE1-OE2 3.38Å; Y170-E219 HydrophobicContact CE2-CB 4.49Å; Y170-E219 HydrophobicContact CG-CG 4.44Å; Y170-E219 PolarHBondContact OH-OE2 3.2Å; E219-L221 PolarHBondContact O-N 3.42Å
220	V	79.7	Confident	78.6	Confident	37 Å²	37	38.6 Å²	38.6	22%	0.224	22%	0.215	C	C	.	.			trans	-77.7	102.7	172.3	177.3	0	0	0	0	109.2	C172 W173 V174 V188	C172-V220 HydrophobicContact CB-CB 4.08Å; C172-V220 HydrophobicContact CB-CG2 3.76Å; W173-V220 VanDerWaalsContact C-CG2 3.45Å; V174-V220 HydrophobicContact CG2-CB 4.46Å; V174-V220 HydrophobicContact CG2-CG2 3.77Å; V188-V220 HydrophobicContact CG1-CG1 4.09Å; V188-V220 HydrophobicContact CG1-CG2 4.06Å
221	L	78.9	Confident	79.5	Confident	54 Å²	54	30.7 Å²	30.7	28%	0.283	18%	0.178	S	C	.	.			trans	-75.3	143.3	170.2	-59.9	178.1	0	0	0	110.4	E219 I306 F313 L315	E219-L221 PolarHBondContact O-N 3.42Å; L221-I306 HydrophobicContact CB-CD1 4.05Å; L221-I306 HydrophobicContact CB-CG2 3.98Å; L221-I306 HydrophobicContact CD1-CG2 3.65Å; L221-I306 HydrophobicContact CG-CG2 4.48Å; L221-F313 HydrophobicContact CD1-CB 3.61Å; L221-F313 HydrophobicContact CD1-CD1 4.44Å; L221-F313 HydrophobicContact CD1-CD2 4Å; L221-F313 HydrophobicContact CD1-CG 3.78Å; L221-F313 HydrophobicContact CD2-CD2 4.5Å; L221-L315 HydrophobicContact CD1-CD2 4.4Å
222	V	79.7	Confident	80.9	Confident	123 Å²	123	29.5 Å²	29.5	75%	0.745	17%	0.169	S	C	*	.			trans	-121.2	124	178.7	-178.5	0	0	0	0	108.8	T308	V222-T308 WeakPolarHBondContact O-CG2 3.42Å
223	G	81	Confident	82.3	Confident	40 Å²	40	29.8 Å²	29.8	41%	0.412	17%	0.17	S	C	.	.	S	Bend	trans	169.6	-173.7	-173.2	0	0	0	0	0	111.6	K307	G223-K307 CarbonylContact C-O 3.51Å; G223-K307 WeakPolarHBondContact CA-O 3.4Å
224	E	83	Confident	83.3	Confident	32 Å²	32	26.8 Å²	26.8	15%	0.15	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.5	175.4	-60.2	-164.6	65.6	0	0	110.2	Q244 K269 I306 K307 R486	E224-Q244 PolarHBondContact OE1-NE2 3.5Å; E224-Q244 VanDerWaalsContact OE1-NE2 3.08Å; E224-K269 IonicContact OE1-NZ 3.45Å; E224-K269 PolarHBondContact OE1-NZ 3.15Å; E224-K269 VanDerWaalsContact OE2-CD 3.23Å; E224-K269 WeakPolarHBondContact OE2-CD 3.45Å; E224-K269 IonicContact OE2-NZ 2.87Å; E224-K269 PolarHBondContact OE2-NZ 2.83Å; E224-I306 CarbonylContact O-C 3.59Å; E224-I306 WeakPolarHBondContact O-CA 3.26Å; E224-K307 PolarHBondContact N-O 2.98Å; E224-K307 PolarHBondContact O-N 2.64Å; E224-R486 IonicContact OE2-NH1 3.5Å
225	E	86.4	Confident	84.1	Confident	71 Å²	71	29 Å²	29	33%	0.332	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	138	171.2	-68.1	-168.3	-130.6	0	0	110.3	K247 L305 L315	E225-K247 WeakPolarHBondContact OE2-CE 3.21Å; E225-K247 IonicContact OE2-NZ 3.13Å; E225-K247 PolarHBondContact OE2-NZ 2.88Å; E225-L305 WeakPolarHBondContact CA-O 3.26Å; E225-L315 HydrophobicContact CG-CD1 3.95Å
226	I	88	Confident	85	Confident	1 Å²	1	30 Å²	30	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	134.1	-178.1	-46.3	162	0	0	0	109.2	L242 V243 Y267 L270 L305 K307	I226-L242 HydrophobicContact CG2-CB 3.92Å; I226-L242 HydrophobicContact CG2-CD2 3.95Å; I226-L242 HydrophobicContact CG2-CG 4.23Å; I226-V243 WeakPolarHBondContact CG2-O 3.37Å; I226-Y267 HydrophobicContact CD1-CD1 3.85Å; I226-Y267 HydrophobicContact CD1-CE1 3.25Å; I226-Y267 HydrophobicContact CD1-CE2 4.37Å; I226-Y267 HydrophobicContact CG1-CD1 4.12Å; I226-Y267 HydrophobicContact CG1-CD2 4.39Å; I226-Y267 HydrophobicContact CG1-CE1 3.77Å; I226-Y267 HydrophobicContact CG1-CE2 4.03Å; I226-Y267 HydrophobicContact CG1-CG 4.38Å; I226-Y267 HydrophobicContact CG2-CD1 4.02Å; I226-Y267 HydrophobicContact CG2-CG 4.04Å; I226-L270 HydrophobicContact CD1-CD2 4.09Å; I226-L305 HydrophobicContact CB-CB 4.49Å; I226-L305 PolarHBondContact N-O 2.68Å; I226-L305 WeakPolarHBondContact O-CA 3.46Å; I226-L305 WeakPolarHBondContact O-CB 3.18Å; I226-L305 PolarHBondContact O-N 3.29Å; I226-K307 HydrophobicContact CD1-CB 3.67Å
227	S	88.8	Confident	85.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.2	173.5	-48	0	0	0	0	110.1	V243 Y302 E325	S227-V243 PolarHBondContact N-O 3.13Å; S227-V243 PolarHBondContact O-N 3.03Å; S227-Y302 PolarHBondContact OG-OH 2.95Å; S227-E325 PolarHBondContact OG-OE1 3.09Å
228	A	89.3	Confident	86.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.4	172.2	0	0	0	0	0	109.8	M239 L242 I278 Y302 A303 L305	A228-M239 HydrophobicContact CB-CE 4.43Å; A228-L242 HydrophobicContact CB-CG 4.27Å; A228-I278 HydrophobicContact CB-CG2 3.85Å; A228-Y302 CarbonylContact O-C 3.1Å; A228-Y302 WeakPolarHBondContact O-CA 3.34Å; A228-A303 PolarHBondContact N-O 3.24Å; A228-A303 PolarHBondContact O-N 3.2Å; A228-L305 HydrophobicContact CB-CD1 3.71Å; A228-L305 HydrophobicContact CB-CG 4.32Å
229	L	91.4	Very high	87.3	Confident	3 Å²	3	33 Å²	33	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.7	178.8	-65	82	0	0	0	109.8	M240 V300 L301 Y302 F321	L229-M240 HydrophobicContact CB-CB 4.11Å; L229-M240 HydrophobicContact CB-CE 4.02Å; L229-M240 HydrophobicContact CB-CG 3.8Å; L229-M240 HydrophobicContact CB-SD 3.62Å; L229-M240 HydrophobicContact CD2-SD 4.14Å; L229-M240 WeakPolarHBondContact O-CG 3.43Å; L229-M240 PolarHBondContact O-N 3.25Å; L229-V300 HydrophobicContact CB-CG1 4.48Å; L229-V300 HydrophobicContact CD2-CG1 4.17Å; L229-L301 CarbonylContact C-O 3.46Å; L229-L301 WeakPolarHBondContact CA-O 3.48Å; L229-Y302 HydrophobicContact CD1-CD2 3.79Å; L229-Y302 HydrophobicContact CD1-CE2 4.14Å; L229-Y302 HydrophobicContact CD2-CD2 3.95Å; L229-Y302 HydrophobicContact CG-CD2 3.69Å; L229-Y302 HydrophobicContact CG-CG 4.27Å; L229-F321 HydrophobicContact CD2-CB 4.48Å; L229-F321 HydrophobicContact CD2-CD1 4.05Å
230	C	90	Very high	88	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153	164.8	73	0	0	0	0	112.1	V237 E238 M239 M283 V300 L301	C230-V237 HydrophobicContact CB-CB 4.27Å; C230-E238 CarbonylContact C-O 3.53Å; C230-E238 VanDerWaalsContact CA-O 3.23Å; C230-E238 WeakPolarHBondContact CA-O 3.39Å; C230-E238 VanDerWaalsContact CB-O 3.32Å; C230-E238 WeakPolarHBondContact CB-O 3.35Å; C230-M239 HydrophobicContact CB-SD 3.78Å; C230-M283 HydrophobicContact CB-CE 4.1Å; C230-V300 WeakPolarHBondContact O-CA 3.43Å; C230-L301 PolarHBondContact N-O 3.34Å; C230-L301 PolarHBondContact O-N 3.43Å; C230-L301 VanDerWaalsContact O-N 3.09Å
231	F	93	Very high	88.2	Confident	1 Å²	1	28.8 Å²	28.8	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	145.9	158.9	-68.6	-70.8	0	0	0	109.3	F129 V237 E238 M240 V300 F321 L364 V367 L376 W383	F129-F231 HydrophobicContact CE2-CD1 4.32Å; F129-F231 AromaticContact CZ-CD1 3.91Å; F129-F231 HydrophobicContact CZ-CD1 3.91Å; F129-F231 AromaticContact CZ-CE1 3.95Å; F129-F231 HydrophobicContact CZ-CE1 3.95Å; F231-V237 WeakPolarHBondContact O-CA 3.27Å; F231-E238 HydrophobicContact CB-CB 4.28Å; F231-E238 PolarHBondContact N-O 2.94Å; F231-E238 PolarHBondContact O-N 2.9Å; F231-M240 HydrophobicContact CD1-CE 3.98Å; F231-M240 HydrophobicContact CD2-CE 3.76Å; F231-M240 HydrophobicContact CE1-CE 3.88Å; F231-M240 HydrophobicContact CE2-CE 3.66Å; F231-M240 HydrophobicContact CE2-SD 4.24Å; F231-M240 HydrophobicContact CG-CE 3.92Å; F231-M240 HydrophobicContact CZ-CE 3.72Å; F231-M240 HydrophobicContact CZ-SD 4.49Å; F231-V300 HydrophobicContact CD1-CG2 4.17Å; F231-V300 HydrophobicContact CE1-CG2 4.17Å; F231-F321 HydrophobicContact CE1-CE1 4.26Å; F231-F321 AromaticContact CE1-CZ 3.7Å; F231-F321 HydrophobicContact CE1-CZ 3.7Å; F231-F321 HydrophobicContact CZ-CE1 4.13Å; F231-F321 AromaticContact CZ-CZ 3.88Å; F231-F321 HydrophobicContact CZ-CZ 3.88Å; F231-L364 HydrophobicContact CE1-CD1 4.13Å; F231-L364 HydrophobicContact CZ-CD1 3.76Å; F231-V367 HydrophobicContact CB-CG1 4.27Å; F231-V367 HydrophobicContact CD1-CG1 3.75Å; F231-V367 HydrophobicContact CD2-CG1 3.65Å; F231-V367 HydrophobicContact CE1-CG1 3.91Å; F231-V367 HydrophobicContact CE2-CG1 3.81Å; F231-V367 HydrophobicContact CG-CG1 3.62Å; F231-V367 HydrophobicContact CZ-CG1 3.94Å; F231-L376 HydrophobicContact CB-CD1 4.44Å; F231-L376 HydrophobicContact CB-CD2 3.91Å; F231-L376 WeakPolarHBondContact O-CD2 3.5Å; F231-W383 HydrophobicContact CD2-CZ2 4.34Å; F231-W383 AromaticContact CE2-CH2 3.94Å; F231-W383 HydrophobicContact CE2-CH2 3.94Å; F231-W383 HydrophobicContact CE2-CZ2 4.11Å
232	T	94	Very high	88.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	142.7	176.8	-174.8	0	0	0	0	112.5	G234 S236 I287 Y297 G299	T232-G234 PolarHBondContact OG1-N 2.96Å; T232-S236 WeakPolarHBondContact CA-O 3.31Å; T232-S236 VanDerWaalsContact CB-O 3.3Å; T232-S236 WeakPolarHBondContact CB-O 3.37Å; T232-S236 PolarHBondContact OG1-O 3.28Å; T232-I287 HydrophobicContact CG2-CD1 3.77Å; T232-I287 HydrophobicContact CG2-CG1 4.49Å; T232-Y297 HydrophobicContact CG2-CD1 3.58Å; T232-Y297 HydrophobicContact CG2-CE1 4.01Å; T232-G299 PolarHBondContact N-O 2.65Å; T232-G299 PolarHBondContact O-N 2.85Å
233	D	94.7	Very high	89.1	Confident	5 Å²	5	20.5 Å²	20.5	3%	0.027	11%	0.113	C	C	.	.	S	Bend	trans	-98.6	0.9	172.2	61.5	7.6	0	0	0	113.4	E235 S236 K298 C371 L376	D233-E235 PolarHBondContact OD1-N 3.17Å; D233-S236 PolarHBondContact OD1-N 3.22Å; D233-S236 PolarHBondContact OD1-OG 3.17Å; D233-S236 PolarHBondContact OD2-OG 3.38Å; D233-K298 WeakPolarHBondContact O-CE 3.08Å; D233-K298 WeakPolarHBondContact O-CG 3.33Å; D233-C371 WeakPolarHBondContact CA-O 3.26Å; D233-L376 HydrophobicContact CB-CB 3.91Å; D233-L376 WeakPolarHBondContact OD2-CB 3.31Å; D233-L376 PolarHBondContact OD2-N 2.83Å
234	G	91.5	Very high	89.5	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.01	10%	0.096	C	C	.	.	S	Bend	trans	97.3	-2.6	-175.6	0	0	0	0	0	114.7	T232 I287 Y297	T232-G234 PolarHBondContact OG1-N 2.96Å; G234-I287 WeakPolarHBondContact O-CG2 3.31Å; G234-Y297 WeakPolarHBondContact CA-O 3.36Å; G234-Y297 PolarHBondContact N-O 2.66Å
235	E	90.8	Very high	89.7	Confident	125 Å²	125	18.2 Å²	18.2	58%	0.584	9%	0.092	S	C	*	.	S	Bend	trans	-126.5	-46.7	176.1	-49.9	-144.3	180	0	0	112.1	D233 K291	D233-E235 PolarHBondContact OD1-N 3.17Å; E235-K291 IonicContact OE1-NZ 2.74Å; E235-K291 PolarHBondContact OE1-NZ 3.32Å; E235-K291 IonicContact OE2-NZ 3.59Å; E235-K291 PolarHBondContact OE2-NZ 2.94Å
236	S	90.9	Very high	89.8	Confident	22 Å²	22	15.1 Å²	15.1	15%	0.154	8%	0.078	C	C	.	.			trans	-102.7	161.6	-179.6	65.3	0	0	0	0	111.9	T232 D233 L376	T232-S236 WeakPolarHBondContact CA-O 3.31Å; T232-S236 VanDerWaalsContact CB-O 3.3Å; T232-S236 WeakPolarHBondContact CB-O 3.37Å; T232-S236 PolarHBondContact OG1-O 3.28Å; D233-S236 PolarHBondContact OD1-N 3.22Å; D233-S236 PolarHBondContact OD1-OG 3.17Å; D233-S236 PolarHBondContact OD2-OG 3.38Å; S236-L376 WeakPolarHBondContact OG-CB 3.17Å
237	V	88.7	Confident	89.7	Confident	14 Å²	14	16.7 Å²	16.7	9%	0.085	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.3	172.3	-64.5	0	0	0	0	109.4	C230 F231 E279 L284 I287	C230-V237 HydrophobicContact CB-CB 4.27Å; F231-V237 WeakPolarHBondContact O-CA 3.27Å; V237-E279 HydrophobicContact CG2-CG 4.09Å; V237-L284 HydrophobicContact CG1-CD1 4.22Å; V237-L284 HydrophobicContact CG2-CB 4.03Å; V237-L284 HydrophobicContact CG2-CD1 4.18Å; V237-I287 HydrophobicContact CG1-CG1 3.82Å
238	E	90.6	Very high	89.5	Confident	56 Å²	56	20.3 Å²	20.3	26%	0.262	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	107.6	173	-75.7	-71.1	141.3	0	0	108.1	C230 F231 L376 V381	C230-E238 CarbonylContact C-O 3.53Å; C230-E238 VanDerWaalsContact CA-O 3.23Å; C230-E238 WeakPolarHBondContact CA-O 3.39Å; C230-E238 VanDerWaalsContact CB-O 3.32Å; C230-E238 WeakPolarHBondContact CB-O 3.35Å; F231-E238 HydrophobicContact CB-CB 4.28Å; F231-E238 PolarHBondContact N-O 2.94Å; F231-E238 PolarHBondContact O-N 2.9Å; E238-L376 HydrophobicContact CB-CD1 4.45Å; E238-L376 HydrophobicContact CB-CD2 4.12Å; E238-L376 HydrophobicContact CB-CG 4.43Å; E238-L376 HydrophobicContact CG-CD1 3.97Å; E238-L376 HydrophobicContact CG-CD2 3.91Å; E238-L376 HydrophobicContact CG-CG 3.77Å; E238-V381 HydrophobicContact CB-CB 4.37Å; E238-V381 HydrophobicContact CB-CG2 3.87Å; E238-V381 HydrophobicContact CG-CG2 3.8Å
239	M	88.2	Confident	89.3	Confident	26 Å²	26	21.7 Å²	21.7	13%	0.128	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	135.7	-173.3	-68.6	-59.6	-57.3	0	0	111.8	A228 C230 I278 E279 M283	A228-M239 HydrophobicContact CB-CE 4.43Å; C230-M239 HydrophobicContact CB-SD 3.78Å; M239-I278 HydrophobicContact CE-CG2 4.08Å; M239-E279 HydrophobicContact CG-CB 4.05Å; M239-E279 HydrophobicContact CG-CG 3.76Å; M239-E279 HydrophobicContact SD-CB 4.26Å; M239-E279 HydrophobicContact SD-CG 4.22Å; M239-M283 HydrophobicContact CE-CG 4.1Å; M239-M283 HydrophobicContact SD-CB 4.23Å; M239-M283 HydrophobicContact SD-CG 3.81Å
240	M	88.6	Confident	89	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.015	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-85.2	152.5	166.8	-42.8	-163.3	-168.4	0	0	109.5	L229 F231 L242 V300 F321 W383	L229-M240 HydrophobicContact CB-CB 4.11Å; L229-M240 HydrophobicContact CB-CE 4.02Å; L229-M240 HydrophobicContact CB-CG 3.8Å; L229-M240 HydrophobicContact CB-SD 3.62Å; L229-M240 HydrophobicContact CD2-SD 4.14Å; L229-M240 WeakPolarHBondContact O-CG 3.43Å; L229-M240 PolarHBondContact O-N 3.25Å; F231-M240 HydrophobicContact CD1-CE 3.98Å; F231-M240 HydrophobicContact CD2-CE 3.76Å; F231-M240 HydrophobicContact CE1-CE 3.88Å; F231-M240 HydrophobicContact CE2-CE 3.66Å; F231-M240 HydrophobicContact CE2-SD 4.24Å; F231-M240 HydrophobicContact CG-CE 3.92Å; F231-M240 HydrophobicContact CZ-CE 3.72Å; F231-M240 HydrophobicContact CZ-SD 4.49Å; M240-L242 PolarHBondContact O-N 3.24Å; M240-V300 HydrophobicContact CE-CG1 4.02Å; M240-V300 HydrophobicContact CE-CG2 3.84Å; M240-F321 HydrophobicContact CE-CD1 4.19Å; M240-F321 HydrophobicContact CE-CE1 3.63Å; M240-F321 HydrophobicContact CE-CZ 4.34Å; M240-F321 HydrophobicContact SD-CD1 4.28Å; M240-F321 HydrophobicContact SD-CE1 3.89Å; M240-W383 HydrophobicContact CB-CH2 3.47Å; M240-W383 VanDerWaalsContact CB-CH2 3.47Å; M240-W383 HydrophobicContact CB-CZ2 4.12Å; M240-W383 HydrophobicContact CB-CZ3 3.8Å; M240-W383 HydrophobicContact CG-CH2 3.42Å; M240-W383 VanDerWaalsContact CG-CH2 3.42Å; M240-W383 HydrophobicContact CG-CZ2 4.01Å; M240-W383 HydrophobicContact CG-CZ3 4.2Å; M240-W383 HydrophobicContact SD-CH2 4Å
241	P	85	Confident	88.8	Confident	27 Å²	27	29.6 Å²	29.6	18%	0.175	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-54.4	133	166.2	-22.5	32.9	0	0	0	109.7	P266 L359 W383	P241-P266 HydrophobicContact CB-CB 4.1Å; P241-L359 HydrophobicContact CB-CD1 4.42Å; P241-W383 VanDerWaalsContact CD-CD2 3.44Å; P241-W383 HydrophobicContact CG-CB 4.21Å; P241-W383 HydrophobicContact CG-CD2 3.95Å; P241-W383 HydrophobicContact CG-CE3 3.58Å; P241-W383 HydrophobicContact CG-CG 4.19Å; P241-W383 HydrophobicContact CG-CZ3 4.19Å
242	L	87.9	Confident	88	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.021	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-67.2	144.8	-174.1	-80.2	58.2	0	0	0	110.1	I226 A228 M240 P266 Y267 L270 M275 I278	I226-L242 HydrophobicContact CG2-CB 3.92Å; I226-L242 HydrophobicContact CG2-CD2 3.95Å; I226-L242 HydrophobicContact CG2-CG 4.23Å; A228-L242 HydrophobicContact CB-CG 4.27Å; M240-L242 PolarHBondContact O-N 3.24Å; L242-P266 CarbonylContact O-C 3.57Å; L242-P266 WeakPolarHBondContact O-CA 3.22Å; L242-Y267 PolarHBondContact O-N 3Å; L242-L270 HydrophobicContact CD2-CD1 3.38Å; L242-L270 HydrophobicContact CD2-CG 4.34Å; L242-M275 HydrophobicContact CD1-CE 3.59Å; L242-M275 HydrophobicContact CD1-SD 3.55Å; L242-M275 VanDerWaalsContact CD1-SD 3.55Å; L242-M275 HydrophobicContact CD2-SD 3.7Å; L242-M275 HydrophobicContact CG-SD 4.28Å; L242-I278 HydrophobicContact CD2-CD1 3.81Å
243	V	89.4	Confident	87.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-110.5	142.8	179.7	-178	0	0	0	0	108.6	I226 S227 T264 C265 E325 V328	I226-V243 WeakPolarHBondContact CG2-O 3.37Å; S227-V243 PolarHBondContact N-O 3.13Å; S227-V243 PolarHBondContact O-N 3.03Å; V243-T264 CarbonylContact C-O 3.49Å; V243-T264 WeakPolarHBondContact CA-O 3.11Å; V243-T264 WeakPolarHBondContact CG1-O 3.4Å; V243-C265 HydrophobicContact CG2-CB 4.08Å; V243-E325 HydrophobicContact CB-CB 4.29Å; V243-E325 HydrophobicContact CB-CG 4.31Å; V243-E325 HydrophobicContact CG1-CB 3.9Å; V243-E325 HydrophobicContact CG1-CG 3.76Å; V243-E325 HydrophobicContact CG2-CB 4.37Å; V243-V328 HydrophobicContact CG1-CG2 3.67Å; V243-V328 HydrophobicContact CG2-CG2 4.17Å
244	Q	88.6	Confident	86.5	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.047	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.5	165.2	177.1	166.7	35.7	0	0	108.2	E224 Y246 S263 T264 Y267 T482	E224-Q244 PolarHBondContact OE1-NE2 3.5Å; E224-Q244 VanDerWaalsContact OE1-NE2 3.08Å; Q244-Y246 HydrophobicContact CG-CE2 4.32Å; Q244-S263 CarbonylContact O-C 3.58Å; Q244-S263 VanDerWaalsContact O-CA 3.27Å; Q244-S263 WeakPolarHBondContact O-CA 3.48Å; Q244-T264 PolarHBondContact N-O 2.98Å; Q244-T264 PolarHBondContact O-N 3.13Å; Q244-T264 PolarHBondContact O-OG1 3.27Å; Q244-Y267 HydrophobicContact CB-CD2 3.84Å; Q244-Y267 HydrophobicContact CB-CE2 4.47Å; Q244-Y267 HydrophobicContact CG-CD2 4.44Å; Q244-T482 PolarHBondContact NE2-OG1 2.81Å; Q244-T482 PolarHBondContact OE1-OG1 3.36Å
245	D	87.6	Confident	85.8	Confident	14 Å²	14	43.2 Å²	43.2	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	156.5	-177.4	82	-63.6	0	0	0	112	K247 E325	D245-K247 WeakPolarHBondContact OD2-CE 3.4Å; D245-K247 WeakPolarHBondContact OD2-CG 3.15Å; D245-E325 HydrophobicContact CB-CG 4.03Å
246	Y	89.5	Confident	85.1	Confident	6 Å²	6	39.8 Å²	39.8	2%	0.024	21%	0.21	C	C	.	.			trans	-121.6	80.2	-174	-67.3	-93.6	0	0	0	110.3	Q244 R248 M261 G262 T264 I479 G480 T482	Q244-Y246 HydrophobicContact CG-CE2 4.32Å; Y246-R248 VanDerWaalsContact C-N 3.33Å; Y246-R248 PolarHBondContact O-N 3.06Å; Y246-M261 PolarHBondContact O-N 3.11Å; Y246-G262 PolarHBondContact N-O 3.12Å; Y246-T264 HydrophobicContact CE2-CG2 4.29Å; Y246-I479 HydrophobicContact CD1-CD1 4.17Å; Y246-I479 HydrophobicContact CD2-CD1 3.97Å; Y246-I479 HydrophobicContact CD2-CG2 3.83Å; Y246-I479 HydrophobicContact CE2-CG2 3.84Å; Y246-I479 HydrophobicContact CG-CD1 3.64Å; Y246-G480 VanDerWaalsContact OH-CA 3.31Å; Y246-G480 WeakPolarHBondContact OH-CA 3.3Å; Y246-G480 PolarHBondContact OH-N 2.63Å; Y246-G480 VanDerWaalsContact OH-N 3.12Å; Y246-T482 PolarHBondContact OH-OG1 3.26Å; Y246-T482 VanDerWaalsContact OH-OG1 3.07Å
247	K	86.1	Confident	84.4	Confident	34 Å²	34	41.2 Å²	41.2	15%	0.148	22%	0.216	C	C	.	.			trans	-65.2	-30.1	-174.6	-59.1	-178.1	-175.8	164.9	0	114.4	E225 D245 T258	E225-K247 WeakPolarHBondContact OE2-CE 3.21Å; E225-K247 IonicContact OE2-NZ 3.13Å; E225-K247 PolarHBondContact OE2-NZ 2.88Å; D245-K247 WeakPolarHBondContact OD2-CE 3.4Å; D245-K247 WeakPolarHBondContact OD2-CG 3.15Å; K247-T258 WeakPolarHBondContact O-CB 3.4Å; K247-T258 PolarHBondContact O-N 3.32Å; K247-T258 PolarHBondContact O-OG1 3.17Å
248	R	84.6	Confident	84.2	Confident	76 Å²	76	41.5 Å²	41.5	29%	0.287	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	138.8	-172.8	-72.7	-76	179.6	-173	-6.5	111.9	Y246 D253 R254 G255 N257 R476	Y246-R248 VanDerWaalsContact C-N 3.33Å; Y246-R248 PolarHBondContact O-N 3.06Å; R248-D253 HydrophobicContact CB-CB 4.11Å; R248-D253 WeakPolarHBondContact CD-O 3.48Å; R248-D253 HydrophobicContact CG-CB 4.04Å; R248-D253 WeakPolarHBondContact CG-O 3.21Å; R248-R254 WeakPolarHBondContact CB-O 3.34Å; R248-G255 WeakPolarHBondContact CD-O 3.49Å; R248-G255 PolarHBondContact NH1-O 2.9Å; R248-N257 WeakPolarHBondContact CD-OD1 3.37Å; R248-N257 PolarHBondContact NE-OD1 3.45Å; R248-N257 VanDerWaalsContact NE-OD1 3.08Å; R248-N257 PolarHBondContact NH1-OD1 3.38Å; R248-N257 PolarHBondContact NH2-OD1 3.17Å; R248-R476 VanDerWaalsContact O-CD 3.22Å; R248-R476 WeakPolarHBondContact O-CD 3.42Å; R248-R476 PolarHBondContact O-NH1 3.47Å
249	L	85.2	Confident	83.7	Confident	29 Å²	29	40.9 Å²	40.9	15%	0.152	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-40.3	-174.6	-172	70.9	0	0	0	113.6	R254 P256 T258 M261 Y399 F474 R476	L249-R254 PolarHBondContact N-O 3.41Å; L249-P256 HydrophobicContact CB-CG 4.11Å; L249-P256 HydrophobicContact CD2-CG 3.84Å; L249-P256 PolarHBondContact N-O 2.97Å; L249-P256 VanDerWaalsContact N-O 3.15Å; L249-T258 HydrophobicContact CB-CG2 3.79Å; L249-T258 HydrophobicContact CD1-CG2 3.62Å; L249-T258 HydrophobicContact CG-CG2 4.32Å; L249-M261 HydrophobicContact CD1-SD 4.02Å; L249-Y399 HydrophobicContact CD1-CD1 4.12Å; L249-F474 HydrophobicContact CD1-CE2 3.52Å; L249-F474 HydrophobicContact CD1-CZ 3.7Å; L249-F474 HydrophobicContact CG-CE2 4.25Å; L249-R476 WeakPolarHBondContact O-CG 3.3Å
250	E	84.8	Confident	83.7	Confident	90 Å²	90	39.7 Å²	39.7	42%	0.421	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	160	-167.4	-60.6	161.7	-156.4	0	0	112.5	D253 R254 G255 R476	E250-D253 PolarHBondContact O-N 3.33Å; E250-R254 HydrophobicContact CB-CB 3.87Å; E250-R254 PolarHBondContact N-O 3.35Å; E250-R254 PolarHBondContact O-N 3.43Å; E250-R254 WeakPolarHBondContact OE2-CB 3.4Å; E250-G255 WeakPolarHBondContact OE1-CA 3.36Å; E250-G255 PolarHBondContact OE2-N 3Å; E250-R476 PolarHBondContact O-NE 3.03Å
251	L	84.4	Confident	83.9	Confident	79 Å²	79	39.5 Å²	39.5	41%	0.414	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	136.9	175.9	-52.7	177.1	0	0	0	111.9	R254 R476 R477 D478	L251-R254 PolarHBondContact O-NE 2.98Å; L251-R254 PolarHBondContact O-NH2 3.35Å; L251-R476 HydrophobicContact CD2-CB 4.35Å; L251-R476 HydrophobicContact CD2-CG 4.38Å; L251-R477 HydrophobicContact CD2-CB 4.08Å; L251-D478 HydrophobicContact CD2-CB 4.24Å; L251-D478 VanDerWaalsContact CD2-OD1 3.27Å; L251-D478 WeakPolarHBondContact CD2-OD1 3.39Å
252	G	76.4	Confident	84.2	Confident	44 Å²	44	38.2 Å²	38.2	45%	0.454	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	30.9	-176.9	0	0	0	0	0	113.4	R254 D478	G252-R254 VanDerWaalsContact C-N 3.34Å; G252-R254 PolarHBondContact O-N 3.38Å; G252-D478 PolarHBondContact N-OD2 2.82Å
253	D	78.9	Confident	84.4	Confident	73 Å²	73	38 Å²	38	39%	0.39	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	43.2	-179.5	-63.1	-45.8	0	0	0	114.3	R248 E250 R476	R248-D253 HydrophobicContact CB-CB 4.11Å; R248-D253 WeakPolarHBondContact CD-O 3.48Å; R248-D253 HydrophobicContact CG-CB 4.04Å; R248-D253 WeakPolarHBondContact CG-O 3.21Å; E250-D253 PolarHBondContact O-N 3.33Å; D253-R476 IonicContact OD1-CZ 3.62Å; D253-R476 IonicContact OD1-NH1 3.1Å; D253-R476 PolarHBondContact OD1-NH1 2.91Å; D253-R476 IonicContact OD1-NH2 3.91Å; D253-R476 PolarHBondContact OD1-NH2 3.25Å; D253-R476 IonicContact OD2-NH2 3.36Å
254	R	78.4	Confident	84.4	Confident	152 Å²	152	38 Å²	38	57%	0.574	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	177.6	179.5	-68.3	-179.1	-64.9	177.6	4.6	112.4	R248 L249 E250 L251 G252	R248-R254 WeakPolarHBondContact CB-O 3.34Å; L249-R254 PolarHBondContact N-O 3.41Å; E250-R254 HydrophobicContact CB-CB 3.87Å; E250-R254 PolarHBondContact N-O 3.35Å; E250-R254 PolarHBondContact O-N 3.43Å; E250-R254 WeakPolarHBondContact OE2-CB 3.4Å; L251-R254 PolarHBondContact O-NE 2.98Å; L251-R254 PolarHBondContact O-NH2 3.35Å; G252-R254 VanDerWaalsContact C-N 3.34Å; G252-R254 PolarHBondContact O-N 3.38Å
255	G	77.7	Confident	84.4	Confident	24 Å²	24	37.6 Å²	37.6	25%	0.247	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.6	-171.2	-178.9	0	0	0	0	0	114.5	R248 E250	R248-G255 WeakPolarHBondContact CD-O 3.49Å; R248-G255 PolarHBondContact NH1-O 2.9Å; E250-G255 WeakPolarHBondContact OE1-CA 3.36Å; E250-G255 PolarHBondContact OE2-N 3Å
256	P	75.5	Confident	84.2	Confident	53 Å²	53	38.3 Å²	38.3	34%	0.344	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	157.4	179	29.8	-36	0	0	0	112.1	L249 P400	L249-P256 HydrophobicContact CB-CG 4.11Å; L249-P256 HydrophobicContact CD2-CG 3.84Å; L249-P256 PolarHBondContact N-O 2.97Å; L249-P256 VanDerWaalsContact N-O 3.15Å; P256-P400 HydrophobicContact CB-CG 4.17Å; P256-P400 HydrophobicContact CG-CG 3.88Å
257	N	77.1	Confident	83.9	Confident	52 Å²	52	38.7 Å²	38.7	28%	0.278	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	144.1	164.8	-77.8	-0.1	0	0	0	110.2	R248	R248-N257 WeakPolarHBondContact CD-OD1 3.37Å; R248-N257 PolarHBondContact NE-OD1 3.45Å; R248-N257 VanDerWaalsContact NE-OD1 3.08Å; R248-N257 PolarHBondContact NH1-OD1 3.38Å; R248-N257 PolarHBondContact NH2-OD1 3.17Å
258	T	84.6	Confident	83.5	Confident	19 Å²	19	42.3 Å²	42.3	12%	0.117	23%	0.233	C	C	.	.			trans	-122.7	-177	176.5	75.8	0	0	0	0	109.2	K247 L249 G260 M261 Y399 P400	K247-T258 WeakPolarHBondContact O-CB 3.4Å; K247-T258 PolarHBondContact O-N 3.32Å; K247-T258 PolarHBondContact O-OG1 3.17Å; L249-T258 HydrophobicContact CB-CG2 3.79Å; L249-T258 HydrophobicContact CD1-CG2 3.62Å; L249-T258 HydrophobicContact CG-CG2 4.32Å; T258-G260 PolarHBondContact O-N 3.32Å; T258-G260 PolarHBondContact OG1-N 2.81Å; T258-M261 HydrophobicContact CG2-CG 4.18Å; T258-M261 HydrophobicContact CG2-SD 4.35Å; T258-Y399 HydrophobicContact CG2-CD1 4.47Å; T258-Y399 HydrophobicContact CG2-CE1 3.86Å; T258-P400 HydrophobicContact CG2-CB 4.35Å; T258-P400 HydrophobicContact CG2-CG 4.23Å
259	G	79.2	Confident	83.3	Confident	44 Å²	44	40.9 Å²	40.9	45%	0.454	23%	0.229	S	C	.	.	S	Bend	trans	-71.9	-2.2	166.7	0	0	0	0	0	114.7	Y399 R443	G259-Y399 PolarHBondContact N-OH 3.33Å; G259-R443 PolarHBondContact O-NH1 3.43Å
260	G	87.6	Confident	83.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.			trans	121.3	125.9	-172.4	0	0	0	0	0	111.3	T258 R443	T258-G260 PolarHBondContact O-N 3.32Å; T258-G260 PolarHBondContact OG1-N 2.81Å; G260-R443 WeakPolarHBondContact O-CD 3.47Å; G260-R443 PolarHBondContact O-NH1 2.89Å
261	M	92.8	Very high	83	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-100.2	-3.5	176.4	-72.5	-56.7	-56.9	0	0	113.5	Y246 L249 T258 V393 A395 Y399 F474 R476	Y246-M261 PolarHBondContact O-N 3.11Å; L249-M261 HydrophobicContact CD1-SD 4.02Å; T258-M261 HydrophobicContact CG2-CG 4.18Å; T258-M261 HydrophobicContact CG2-SD 4.35Å; M261-V393 WeakPolarHBondContact O-CB 3.1Å; M261-V393 PolarHBondContact O-N 3.02Å; M261-A395 HydrophobicContact CE-CB 4.2Å; M261-Y399 HydrophobicContact SD-CD1 4.15Å; M261-Y399 HydrophobicContact SD-CE1 3.75Å; M261-F474 HydrophobicContact CE-CD2 4.3Å; M261-F474 HydrophobicContact CE-CE2 3.85Å; M261-F474 HydrophobicContact SD-CE2 4.44Å; M261-R476 HydrophobicContact CB-CG 4.3Å
262	G	92.7	Very high	82.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.6	174.9	176.9	0	0	0	0	0	111.2	Y246 G391	Y246-G262 PolarHBondContact N-O 3.12Å; G262-G391 CarbonylContact C-O 3.52Å; G262-G391 WeakPolarHBondContact CA-O 3.37Å
263	S	91.7	Very high	83.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	156.4	-174.1	50.3	0	0	0	0	110.7	Q244 P324 V328 L390 G391	Q244-S263 CarbonylContact O-C 3.58Å; Q244-S263 VanDerWaalsContact O-CA 3.27Å; Q244-S263 WeakPolarHBondContact O-CA 3.48Å; S263-P324 PolarHBondContact OG-O 3.37Å; S263-V328 VanDerWaalsContact OG-CG1 3.28Å; S263-V328 WeakPolarHBondContact OG-CG1 3.44Å; S263-V328 WeakPolarHBondContact OG-CG2 3.14Å; S263-L390 WeakPolarHBondContact O-CA 3.33Å; S263-G391 PolarHBondContact N-O 3.44Å; S263-G391 PolarHBondContact O-N 2.86Å
264	T	90.1	Very high	83.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142	175.5	47.7	0	0	0	0	112	V243 Q244 Y246 Y388 T389 L390 I479	V243-T264 CarbonylContact C-O 3.49Å; V243-T264 WeakPolarHBondContact CA-O 3.11Å; V243-T264 WeakPolarHBondContact CG1-O 3.4Å; Q244-T264 PolarHBondContact N-O 2.98Å; Q244-T264 PolarHBondContact O-N 3.13Å; Q244-T264 PolarHBondContact O-OG1 3.27Å; Y246-T264 HydrophobicContact CE2-CG2 4.29Å; T264-Y388 WeakPolarHBondContact CB-OH 3.13Å; T264-Y388 HydrophobicContact CG2-CE1 4.05Å; T264-Y388 WeakPolarHBondContact CG2-OH 3.48Å; T264-T389 WeakPolarHBondContact CA-O 3.23Å; T264-L390 HydrophobicContact CG2-CB 4.03Å; T264-L390 HydrophobicContact CG2-CD1 3.74Å; T264-L390 HydrophobicContact CG2-CG 3.68Å; T264-I479 HydrophobicContact CG2-CG2 4.23Å
265	C	87.3	Confident	84.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	135.7	-175.7	-170	0	0	0	0	111	V243 V328 L359 Y388 T389	V243-C265 HydrophobicContact CG2-CB 4.08Å; C265-V328 HydrophobicContact CB-CB 3.97Å; C265-V328 HydrophobicContact CB-CG2 3.82Å; C265-L359 HydrophobicContact CB-CD1 4.21Å; C265-L359 VanDerWaalsContact SG-CD1 3.52Å; C265-Y388 CarbonylContact O-C 3.56Å; C265-Y388 WeakPolarHBondContact O-CA 3.47Å; C265-T389 PolarHBondContact N-O 3.44Å; C265-T389 PolarHBondContact O-N 2.69Å; C265-T389 PolarHBondContact O-OG1 2.94Å
266	P	83.3	Confident	84.8	Confident	30 Å²	30	46.7 Å²	46.7	20%	0.195	24%	0.241	C	C	.	.	S	Bend	cis	-80.7	155	-1.6	33.9	-35.9	0	0	0	113.5	P241 L242 Q268 L387 Y388	P241-P266 HydrophobicContact CB-CB 4.1Å; L242-P266 CarbonylContact O-C 3.57Å; L242-P266 WeakPolarHBondContact O-CA 3.22Å; P266-Q268 HydrophobicContact CG-CG 4.29Å; P266-Q268 PolarHBondContact O-N 3Å; P266-L387 WeakPolarHBondContact CD-O 3.33Å; P266-Y388 VanDerWaalsContact O-CE2 3.29Å; P266-Y388 WeakPolarHBondContact O-CE2 3.44Å
267	Y	84.1	Confident	85.5	Confident	13 Å²	13	48.4 Å²	48.4	5%	0.051	24%	0.243	C	C	.	.			trans	-76.4	116	166.1	-178.3	-100.1	0	0	0	110.4	I226 L242 Q244 K269 L270	I226-Y267 HydrophobicContact CD1-CD1 3.85Å; I226-Y267 HydrophobicContact CD1-CE1 3.25Å; I226-Y267 HydrophobicContact CD1-CE2 4.37Å; I226-Y267 HydrophobicContact CG1-CD1 4.12Å; I226-Y267 HydrophobicContact CG1-CD2 4.39Å; I226-Y267 HydrophobicContact CG1-CE1 3.77Å; I226-Y267 HydrophobicContact CG1-CE2 4.03Å; I226-Y267 HydrophobicContact CG1-CG 4.38Å; I226-Y267 HydrophobicContact CG2-CD1 4.02Å; I226-Y267 HydrophobicContact CG2-CG 4.04Å; L242-Y267 PolarHBondContact O-N 3Å; Q244-Y267 HydrophobicContact CB-CD2 3.84Å; Q244-Y267 HydrophobicContact CB-CE2 4.47Å; Q244-Y267 HydrophobicContact CG-CD2 4.44Å; Y267-K269 HydrophobicContact CE1-CB 3.75Å; Y267-K269 HydrophobicContact CE2-CB 4.33Å; Y267-K269 HydrophobicContact CE2-CD 4.06Å; Y267-K269 HydrophobicContact CE2-CG 4.31Å; Y267-L270 HydrophobicContact CD1-CD2 4.5Å; Y267-L270 HydrophobicContact CD1-CG 4.02Å; Y267-L270 HydrophobicContact CE1-CD2 3.87Å; Y267-L270 HydrophobicContact CE1-CG 3.88Å
268	Q	77.4	Confident	85.9	Confident	110 Å²	110	46 Å²	46	51%	0.514	23%	0.23	S	C	.	.			trans	-96.4	-0.9	-166.9	-69.6	169.8	-41.7	0	0	115.1	P266	P266-Q268 HydrophobicContact CG-CG 4.29Å; P266-Q268 PolarHBondContact O-N 3Å
269	K	80	Confident	86.1	Confident	46 Å²	46	48.7 Å²	48.7	20%	0.2	24%	0.241	C	C	.	.			trans	-98.6	22.3	-169.5	-51.5	175.2	176.6	173.1	0	115	E224 Y267 K307 T482	E224-K269 IonicContact OE1-NZ 3.45Å; E224-K269 PolarHBondContact OE1-NZ 3.15Å; E224-K269 VanDerWaalsContact OE2-CD 3.23Å; E224-K269 WeakPolarHBondContact OE2-CD 3.45Å; E224-K269 IonicContact OE2-NZ 2.87Å; E224-K269 PolarHBondContact OE2-NZ 2.83Å; Y267-K269 HydrophobicContact CE1-CB 3.75Å; Y267-K269 HydrophobicContact CE2-CB 4.33Å; Y267-K269 HydrophobicContact CE2-CD 4.06Å; Y267-K269 HydrophobicContact CE2-CG 4.31Å; K269-K307 WeakPolarHBondContact O-CE 3.27Å; K269-T482 VanDerWaalsContact CE-O 3.29Å; K269-T482 WeakPolarHBondContact CE-O 3.49Å; K269-T482 PolarHBondContact NZ-O 2.88Å
270	L	80.9	Confident	86.6	Confident	25 Å²	25	50.8 Å²	50.8	13%	0.131	24%	0.239	C	C	.	.			trans	-107.7	142.3	173.3	-64.9	-164.6	0	0	0	111.3	I226 L242 Y267 E274 M275 I278 K307 I312	I226-L270 HydrophobicContact CD1-CD2 4.09Å; L242-L270 HydrophobicContact CD2-CD1 3.38Å; L242-L270 HydrophobicContact CD2-CG 4.34Å; Y267-L270 HydrophobicContact CD1-CD2 4.5Å; Y267-L270 HydrophobicContact CD1-CG 4.02Å; Y267-L270 HydrophobicContact CE1-CD2 3.87Å; Y267-L270 HydrophobicContact CE1-CG 3.88Å; L270-E274 VanDerWaalsContact CA-OE2 3.32Å; L270-E274 WeakPolarHBondContact CA-OE2 3.47Å; L270-E274 HydrophobicContact CB-CB 4.05Å; L270-E274 HydrophobicContact CD1-CB 4.41Å; L270-E274 HydrophobicContact CD2-CB 4.25Å; L270-E274 HydrophobicContact CG-CB 4.47Å; L270-M275 HydrophobicContact CB-CG 4.06Å; L270-M275 HydrophobicContact CB-SD 4.47Å; L270-M275 HydrophobicContact CD1-CG 4.34Å; L270-M275 HydrophobicContact CD1-SD 3.94Å; L270-I278 HydrophobicContact CD1-CD1 3.33Å; L270-K307 HydrophobicContact CD2-CD 3.64Å; L270-K307 VanDerWaalsContact CD2-CE 3.45Å; L270-K307 HydrophobicContact CD2-CG 4.22Å; L270-I312 HydrophobicContact CD1-CD1 4.33Å; L270-I312 HydrophobicContact CD2-CD1 3.94Å
271	T	83.7	Confident	86.6	Confident	67 Å²	67	54 Å²	54	41%	0.411	26%	0.256	S	S	.	.			trans	-71.7	167.3	166.6	87.6	0	0	0	0	111.2	E273 E274 M275	T271-E273 WeakPolarHBondContact CB-OE2 3.4Å; T271-E273 PolarHBondContact O-N 3.33Å; T271-E273 PolarHBondContact OG1-N 2.86Å; T271-E273 PolarHBondContact OG1-OE2 2.83Å; T271-E274 HydrophobicContact CG2-CG 4.5Å; T271-E274 PolarHBondContact N-OE2 2.97Å; T271-E274 PolarHBondContact O-N 2.93Å; T271-E274 PolarHBondContact OG1-N 3.35Å; T271-E274 VanDerWaalsContact OG1-N 3.16Å; T271-M275 PolarHBondContact O-N 3.45Å
272	K	81.3	Confident	86.3	Confident	176 Å²	176	54.6 Å²	54.6	77%	0.765	26%	0.259	S	S	*	.	H	α-helix	trans	-63.2	-32.7	175.4	-68.4	179.7	-179.8	174.5	0	111.6	K276	K272-K276 WeakPolarHBondContact O-CB 3.26Å; K272-K276 PolarHBondContact O-N 3.41Å
273	E	87.4	Confident	86	Confident	132 Å²	132	54.6 Å²	54.6	62%	0.617	26%	0.259	S	S	*	.	H	α-helix	trans	-70.7	-41.5	176.6	-56.4	66.7	-143.2	0	0	111.1	T271 K276 F277	T271-E273 WeakPolarHBondContact CB-OE2 3.4Å; T271-E273 PolarHBondContact O-N 3.33Å; T271-E273 PolarHBondContact OG1-N 2.86Å; T271-E273 PolarHBondContact OG1-OE2 2.83Å; E273-K276 PolarHBondContact O-N 2.82Å; E273-F277 WeakPolarHBondContact O-CB 3.25Å; E273-F277 PolarHBondContact O-N 3.03Å
274	E	88.6	Confident	85.8	Confident	38 Å²	38	56.2 Å²	56.2	18%	0.178	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-42.3	173.8	-73.9	-176.7	127.7	0	0	112	L270 T271 F277 I278 K307 I312	L270-E274 VanDerWaalsContact CA-OE2 3.32Å; L270-E274 WeakPolarHBondContact CA-OE2 3.47Å; L270-E274 HydrophobicContact CB-CB 4.05Å; L270-E274 HydrophobicContact CD1-CB 4.41Å; L270-E274 HydrophobicContact CD2-CB 4.25Å; L270-E274 HydrophobicContact CG-CB 4.47Å; T271-E274 HydrophobicContact CG2-CG 4.5Å; T271-E274 PolarHBondContact N-OE2 2.97Å; T271-E274 PolarHBondContact O-N 2.93Å; T271-E274 PolarHBondContact OG1-N 3.35Å; T271-E274 VanDerWaalsContact OG1-N 3.16Å; E274-F277 WeakPolarHBondContact O-CB 3.3Å; E274-F277 PolarHBondContact O-N 3.34Å; E274-I278 WeakPolarHBondContact O-CG1 3.13Å; E274-I278 PolarHBondContact O-N 2.93Å; E274-K307 VanDerWaalsContact OE1-CE 3.25Å; E274-K307 WeakPolarHBondContact OE1-CE 3.4Å; E274-K307 IonicContact OE1-NZ 3.23Å; E274-K307 PolarHBondContact OE1-NZ 3.15Å; E274-K307 WeakPolarHBondContact OE2-CE 3.47Å; E274-K307 IonicContact OE2-NZ 2.77Å; E274-K307 PolarHBondContact OE2-NZ 2.94Å; E274-I312 HydrophobicContact CB-CD1 3.82Å; E274-I312 HydrophobicContact CG-CD1 4.01Å
275	M	86.7	Confident	85.8	Confident	61 Å²	61	62 Å²	62	30%	0.3	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-50.2	172.9	-82.3	-65.2	-58.7	0	0	111.9	L242 L270 T271 F277 I278 E279	L242-M275 HydrophobicContact CD1-CE 3.59Å; L242-M275 HydrophobicContact CD1-SD 3.55Å; L242-M275 VanDerWaalsContact CD1-SD 3.55Å; L242-M275 HydrophobicContact CD2-SD 3.7Å; L242-M275 HydrophobicContact CG-SD 4.28Å; L270-M275 HydrophobicContact CB-CG 4.06Å; L270-M275 HydrophobicContact CB-SD 4.47Å; L270-M275 HydrophobicContact CD1-CG 4.34Å; L270-M275 HydrophobicContact CD1-SD 3.94Å; T271-M275 PolarHBondContact O-N 3.45Å; M275-F277 VanDerWaalsContact C-N 3.28Å; M275-F277 PolarHBondContact O-N 2.99Å; M275-I278 PolarHBondContact O-N 2.99Å; M275-I278 VanDerWaalsContact O-N 3.17Å; M275-E279 PolarHBondContact O-N 2.9Å; M275-E279 VanDerWaalsContact O-N 3.13Å
276	K	88.4	Confident	85.7	Confident	115 Å²	115	62.4 Å²	62.4	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-36.1	177.2	-175.5	173.7	179.6	176	0	112.2	K272 E273 E279 E280	K272-K276 WeakPolarHBondContact O-CB 3.26Å; K272-K276 PolarHBondContact O-N 3.41Å; E273-K276 PolarHBondContact O-N 2.82Å; K276-E279 PolarHBondContact O-N 3.16Å; K276-E280 WeakPolarHBondContact CE-OE1 3.46Å; K276-E280 VanDerWaalsContact CE-OE2 3.22Å; K276-E280 WeakPolarHBondContact CE-OE2 3.45Å; K276-E280 HydrophobicContact CG-CG 4.21Å; K276-E280 IonicContact NZ-OE1 2.63Å; K276-E280 WeakPolarHBondContact O-CB 3.37Å; K276-E280 PolarHBondContact O-N 2.94Å
277	F	89.8	Confident	86	Confident	89 Å²	89	61 Å²	61	39%	0.39	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-44.7	173.7	173.3	-95	0	0	0	111.9	E273 E274 M275 N281 I282 I312	E273-F277 WeakPolarHBondContact O-CB 3.25Å; E273-F277 PolarHBondContact O-N 3.03Å; E274-F277 WeakPolarHBondContact O-CB 3.3Å; E274-F277 PolarHBondContact O-N 3.34Å; M275-F277 VanDerWaalsContact C-N 3.28Å; M275-F277 PolarHBondContact O-N 2.99Å; F277-N281 HydrophobicContact CD2-CB 3.81Å; F277-N281 HydrophobicContact CE2-CB 3.76Å; F277-N281 HydrophobicContact CG-CB 4.41Å; F277-N281 HydrophobicContact CZ-CB 4.32Å; F277-N281 WeakPolarHBondContact O-CA 3.27Å; F277-N281 VanDerWaalsContact O-CB 3.23Å; F277-N281 WeakPolarHBondContact O-CB 3.35Å; F277-N281 PolarHBondContact O-N 3.44Å; F277-I282 HydrophobicContact CE1-CD1 4.1Å; F277-I282 HydrophobicContact CE1-CG1 4.41Å; F277-I312 HydrophobicContact CE1-CB 4.44Å
278	I	86	Confident	86.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.307	C	S	.	.	I	π-helix	trans	-59.8	-49.2	176.3	-67.8	168.2	0	0	0	110.7	A228 M239 L242 L270 E274 M275 I282 M283 L305 I312	A228-I278 HydrophobicContact CB-CG2 3.85Å; M239-I278 HydrophobicContact CE-CG2 4.08Å; L242-I278 HydrophobicContact CD2-CD1 3.81Å; L270-I278 HydrophobicContact CD1-CD1 3.33Å; E274-I278 WeakPolarHBondContact O-CG1 3.13Å; E274-I278 PolarHBondContact O-N 2.93Å; M275-I278 PolarHBondContact O-N 2.99Å; M275-I278 VanDerWaalsContact O-N 3.17Å; I278-I282 HydrophobicContact CG1-CD1 4.28Å; I278-I282 WeakPolarHBondContact O-CA 3.37Å; I278-I282 VanDerWaalsContact O-CB 3.3Å; I278-I282 WeakPolarHBondContact O-CB 3.31Å; I278-I282 PolarHBondContact O-N 3.04Å; I278-I282 VanDerWaalsContact O-N 3.12Å; I278-M283 HydrophobicContact CG2-CG 4.15Å; I278-M283 PolarHBondContact O-N 3.29Å; I278-L305 HydrophobicContact CD1-CD1 3.63Å; I278-L305 HydrophobicContact CG1-CD1 3.85Å; I278-L305 HydrophobicContact CG2-CD1 4.04Å; I278-I312 HydrophobicContact CD1-CD1 4.2Å; I278-I312 HydrophobicContact CG1-CD1 4.37Å; I278-I312 HydrophobicContact CG1-CG2 4.41Å
279	E	89.3	Confident	86.7	Confident	76 Å²	76	65.8 Å²	65.8	36%	0.355	30%	0.303	S	S	.	.	I	π-helix	trans	-59.9	-57.7	-179.3	-173.7	-174.6	151.8	0	0	112.2	V237 M239 M275 K276 L284	V237-E279 HydrophobicContact CG2-CG 4.09Å; M239-E279 HydrophobicContact CG-CB 4.05Å; M239-E279 HydrophobicContact CG-CG 3.76Å; M239-E279 HydrophobicContact SD-CB 4.26Å; M239-E279 HydrophobicContact SD-CG 4.22Å; M275-E279 PolarHBondContact O-N 2.9Å; M275-E279 VanDerWaalsContact O-N 3.13Å; K276-E279 PolarHBondContact O-N 3.16Å; E279-L284 VanDerWaalsContact O-CB 3.26Å; E279-L284 WeakPolarHBondContact O-CB 3.34Å; E279-L284 PolarHBondContact O-N 3.33Å
280	E	88.7	Confident	86.9	Confident	89 Å²	89	64.1 Å²	64.1	42%	0.416	30%	0.296	S	S	.	.	I	π-helix	trans	-77.4	-39.9	-172.4	-66.6	-176.9	156.5	0	0	113.2	K276	K276-E280 WeakPolarHBondContact CE-OE1 3.46Å; K276-E280 VanDerWaalsContact CE-OE2 3.22Å; K276-E280 WeakPolarHBondContact CE-OE2 3.45Å; K276-E280 HydrophobicContact CG-CG 4.21Å; K276-E280 IonicContact NZ-OE1 2.63Å; K276-E280 WeakPolarHBondContact O-CB 3.37Å; K276-E280 PolarHBondContact O-N 2.94Å
281	N	87.5	Confident	87.2	Confident	67 Å²	67	67 Å²	67	36%	0.358	31%	0.308	S	S	.	.	I	π-helix	trans	-101.8	-15	-168.8	-70.6	-87.4	0	0	0	114.5	F277 K285	F277-N281 HydrophobicContact CD2-CB 3.81Å; F277-N281 HydrophobicContact CE2-CB 3.76Å; F277-N281 HydrophobicContact CG-CB 4.41Å; F277-N281 HydrophobicContact CZ-CB 4.32Å; F277-N281 WeakPolarHBondContact O-CA 3.27Å; F277-N281 VanDerWaalsContact O-CB 3.23Å; F277-N281 WeakPolarHBondContact O-CB 3.35Å; F277-N281 PolarHBondContact O-N 3.44Å; N281-K285 WeakPolarHBondContact O-CD 3.49Å
282	I	87.7	Confident	87.4	Confident	13 Å²	13	71.3 Å²	71.3	7%	0.067	32%	0.323	C	S	.	.	I	π-helix	trans	-109.9	-69.2	172.7	-58.6	172.1	0	0	0	109.4	F277 I278 V286 A303 L305 I312 V314 F317	F277-I282 HydrophobicContact CE1-CD1 4.1Å; F277-I282 HydrophobicContact CE1-CG1 4.41Å; I278-I282 HydrophobicContact CG1-CD1 4.28Å; I278-I282 WeakPolarHBondContact O-CA 3.37Å; I278-I282 VanDerWaalsContact O-CB 3.3Å; I278-I282 WeakPolarHBondContact O-CB 3.31Å; I278-I282 PolarHBondContact O-N 3.04Å; I278-I282 VanDerWaalsContact O-N 3.12Å; I282-V286 WeakPolarHBondContact O-CG2 3.35Å; I282-V286 PolarHBondContact O-N 3.41Å; I282-V286 VanDerWaalsContact O-N 3.11Å; I282-A303 HydrophobicContact CG2-CB 4.36Å; I282-L305 HydrophobicContact CD1-CD1 4.47Å; I282-L305 HydrophobicContact CD1-CD2 3.94Å; I282-I312 HydrophobicContact CD1-CG2 4.44Å; I282-V314 HydrophobicContact CD1-CG2 3.89Å; I282-V314 HydrophobicContact CG1-CG2 4.12Å; I282-V314 HydrophobicContact CG2-CG2 3.69Å; I282-F317 HydrophobicContact CG2-CE1 4Å; I282-F317 HydrophobicContact CG2-CZ 4.02Å
283	M	85.5	Confident	87.6	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	31%	0.314	C	S	.	.	I	π-helix	trans	-66.8	-62.3	-167.9	-54.3	-57.7	-87.6	0	0	112	C230 M239 I278 K285 V286 I287 L301 A303	C230-M283 HydrophobicContact CB-CE 4.1Å; M239-M283 HydrophobicContact CE-CG 4.1Å; M239-M283 HydrophobicContact SD-CB 4.23Å; M239-M283 HydrophobicContact SD-CG 3.81Å; I278-M283 HydrophobicContact CG2-CG 4.15Å; I278-M283 PolarHBondContact O-N 3.29Å; M283-K285 PolarHBondContact O-N 3.08Å; M283-V286 PolarHBondContact O-N 2.84Å; M283-V286 VanDerWaalsContact O-N 3.12Å; M283-I287 WeakPolarHBondContact O-CG1 3.48Å; M283-I287 PolarHBondContact O-N 2.75Å; M283-I287 VanDerWaalsContact O-N 3.13Å; M283-L301 HydrophobicContact CE-CB 4.14Å; M283-L301 HydrophobicContact CE-CD2 4.03Å; M283-L301 HydrophobicContact CE-CG 3.86Å; M283-L301 VanDerWaalsContact CE-O 3.3Å; M283-L301 WeakPolarHBondContact CE-O 3.35Å; M283-L301 HydrophobicContact SD-CD2 4.16Å; M283-L301 HydrophobicContact SD-CG 4.46Å; M283-A303 HydrophobicContact CE-CB 4.46Å; M283-A303 HydrophobicContact SD-CB 3.74Å
284	L	88.8	Confident	87.6	Confident	33 Å²	33	66 Å²	66	17%	0.173	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-30.6	-178	-173.9	59	0	0	0	112.5	V237 E279 K288	V237-L284 HydrophobicContact CG1-CD1 4.22Å; V237-L284 HydrophobicContact CG2-CB 4.03Å; V237-L284 HydrophobicContact CG2-CD1 4.18Å; E279-L284 VanDerWaalsContact O-CB 3.26Å; E279-L284 WeakPolarHBondContact O-CB 3.34Å; E279-L284 PolarHBondContact O-N 3.33Å; L284-K288 HydrophobicContact CD1-CD 4.36Å; L284-K288 HydrophobicContact CD1-CG 4.48Å; L284-K288 HydrophobicContact CG-CD 4.06Å; L284-K288 WeakPolarHBondContact O-CB 3.37Å; L284-K288 VanDerWaalsContact O-CG 3.3Å; L284-K288 WeakPolarHBondContact O-CG 3.36Å; L284-K288 PolarHBondContact O-N 3.38Å
285	K	88.5	Confident	87.6	Confident	122 Å²	122	66.6 Å²	66.6	53%	0.53	32%	0.321	S	S	.	.	H	α-helix	trans	-68	-39.4	177.5	-164.7	175.2	-162.5	159.4	0	112.4	N281 M283 Y289	N281-K285 WeakPolarHBondContact O-CD 3.49Å; M283-K285 PolarHBondContact O-N 3.08Å; K285-Y289 VanDerWaalsContact O-CB 3.32Å; K285-Y289 WeakPolarHBondContact O-CB 3.46Å; K285-Y289 PolarHBondContact O-N 2.94Å
286	V	87.2	Confident	87.8	Confident	8 Å²	8	66.9 Å²	66.9	5%	0.048	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-48.3	173.5	165.4	0	0	0	0	110.6	L138 I282 M283 K288 Y289 M290 L301 F317	L138-V286 HydrophobicContact CD1-CG1 4.18Å; L138-V286 HydrophobicContact CD2-CG1 3.54Å; I282-V286 WeakPolarHBondContact O-CG2 3.35Å; I282-V286 PolarHBondContact O-N 3.41Å; I282-V286 VanDerWaalsContact O-N 3.11Å; M283-V286 PolarHBondContact O-N 2.84Å; M283-V286 VanDerWaalsContact O-N 3.12Å; V286-K288 PolarHBondContact O-N 3.47Å; V286-Y289 WeakPolarHBondContact O-CB 3.17Å; V286-Y289 PolarHBondContact O-N 2.84Å; V286-Y289 VanDerWaalsContact O-N 3.11Å; V286-M290 HydrophobicContact CG1-CG 4.36Å; V286-M290 WeakPolarHBondContact O-CG 3.39Å; V286-M290 PolarHBondContact O-N 3.28Å; V286-L301 HydrophobicContact CB-CD2 4.2Å; V286-L301 HydrophobicContact CG1-CD2 3.91Å; V286-F317 HydrophobicContact CG2-CE1 4.02Å; V286-F317 HydrophobicContact CG2-CE2 4.07Å; V286-F317 HydrophobicContact CG2-CZ 3.54Å
287	I	89.2	Confident	88.1	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-57.6	-48.5	178.5	-59.9	-54.8	0	0	0	111.2	T232 G234 V237 M283 Y289 M290 K291 Y297 L301	T232-I287 HydrophobicContact CG2-CD1 3.77Å; T232-I287 HydrophobicContact CG2-CG1 4.49Å; G234-I287 WeakPolarHBondContact O-CG2 3.31Å; V237-I287 HydrophobicContact CG1-CG1 3.82Å; M283-I287 WeakPolarHBondContact O-CG1 3.48Å; M283-I287 PolarHBondContact O-N 2.75Å; M283-I287 VanDerWaalsContact O-N 3.13Å; I287-Y289 VanDerWaalsContact C-N 3.34Å; I287-Y289 PolarHBondContact O-N 3.31Å; I287-M290 PolarHBondContact O-N 3.35Å; I287-K291 PolarHBondContact O-N 2.7Å; I287-Y297 HydrophobicContact CD1-CD1 3.8Å; I287-Y297 HydrophobicContact CD1-CG 3.87Å; I287-L301 HydrophobicContact CD1-CB 4.47Å; I287-L301 HydrophobicContact CD1-CD2 3.92Å; I287-L301 HydrophobicContact CG1-CD2 4.32Å
288	K	88.5	Confident	88.3	Confident	112 Å²	112	60 Å²	60	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-39.6	175.4	-74	172.5	178.4	170.3	0	112.7	L284 V286 Q292	L284-K288 HydrophobicContact CD1-CD 4.36Å; L284-K288 HydrophobicContact CD1-CG 4.48Å; L284-K288 HydrophobicContact CG-CD 4.06Å; L284-K288 WeakPolarHBondContact O-CB 3.37Å; L284-K288 VanDerWaalsContact O-CG 3.3Å; L284-K288 WeakPolarHBondContact O-CG 3.36Å; L284-K288 PolarHBondContact O-N 3.38Å; V286-K288 PolarHBondContact O-N 3.47Å; K288-Q292 WeakPolarHBondContact O-CB 3.23Å; K288-Q292 VanDerWaalsContact O-CG 3.24Å; K288-Q292 WeakPolarHBondContact O-CG 3.42Å; K288-Q292 PolarHBondContact O-N 3.38Å
289	Y	86.2	Confident	88.6	Confident	112 Å²	112	60 Å²	60	44%	0.439	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-43	176.2	177.5	-96.5	0	0	0	112.4	K285 V286 I287 Q292 K293	K285-Y289 VanDerWaalsContact O-CB 3.32Å; K285-Y289 WeakPolarHBondContact O-CB 3.46Å; K285-Y289 PolarHBondContact O-N 2.94Å; V286-Y289 WeakPolarHBondContact O-CB 3.17Å; V286-Y289 PolarHBondContact O-N 2.84Å; V286-Y289 VanDerWaalsContact O-N 3.11Å; I287-Y289 VanDerWaalsContact C-N 3.34Å; I287-Y289 PolarHBondContact O-N 3.31Å; Y289-Q292 WeakPolarHBondContact O-CB 3.38Å; Y289-Q292 PolarHBondContact O-N 2.97Å; Y289-K293 HydrophobicContact CD1-CG 4.45Å; Y289-K293 HydrophobicContact CE1-CG 3.99Å; Y289-K293 HydrophobicContact CE2-CG 4.49Å; Y289-K293 WeakPolarHBondContact O-CG 3.28Å; Y289-K293 PolarHBondContact O-N 2.95Å; Y289-K293 VanDerWaalsContact OH-CE 3.3Å; Y289-K293 WeakPolarHBondContact OH-CE 3.46Å
290	M	85.4	Confident	88.8	Confident	11 Å²	11	56.5 Å²	56.5	5%	0.054	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-45.3	178	-66.8	-59.4	-76	0	0	110.9	C135 L138 V286 I287 Q292 K293 G294 N295	C135-M290 HydrophobicContact CB-CE 4.26Å; L138-M290 HydrophobicContact CD1-SD 4.39Å; V286-M290 HydrophobicContact CG1-CG 4.36Å; V286-M290 WeakPolarHBondContact O-CG 3.39Å; V286-M290 PolarHBondContact O-N 3.28Å; I287-M290 PolarHBondContact O-N 3.35Å; M290-Q292 PolarHBondContact O-N 3.37Å; M290-K293 CarbonylContact O-C 3.57Å; M290-K293 WeakPolarHBondContact O-CA 3.42Å; M290-K293 WeakPolarHBondContact O-CB 3.19Å; M290-K293 PolarHBondContact O-N 3.07Å; M290-G294 PolarHBondContact O-N 3.29Å; M290-N295 CarbonylContact C-O 3.02Å; M290-N295 WeakPolarHBondContact CB-O 3.43Å; M290-N295 HydrophobicContact CE-CB 4.19Å; M290-N295 CarbonylContact O-C 3.45Å; M290-N295 PolarHBondContact O-N 2.86Å; M290-N295 VanDerWaalsContact O-O 3.08Å
291	K	87.7	Confident	88.9	Confident	86 Å²	86	52.3 Å²	52.3	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-41.7	173.4	-174.3	170.3	172.2	177.8	0	112.2	E235 I287 K293 G294 N295	E235-K291 IonicContact OE1-NZ 2.74Å; E235-K291 PolarHBondContact OE1-NZ 3.32Å; E235-K291 IonicContact OE2-NZ 3.59Å; E235-K291 PolarHBondContact OE2-NZ 2.94Å; I287-K291 PolarHBondContact O-N 2.7Å; K291-K293 PolarHBondContact O-N 3.15Å; K291-G294 PolarHBondContact O-N 3.21Å; K291-N295 PolarHBondContact N-O 3.42Å
292	Q	87	Confident	89.1	Confident	156 Å²	156	49.3 Å²	49.3	73%	0.729	24%	0.244	S	C	*	.	H	α-helix	trans	-63.2	-22.7	172.6	-75.5	171.7	5.3	0	0	114	K288 Y289 M290 G294	K288-Q292 WeakPolarHBondContact O-CB 3.23Å; K288-Q292 VanDerWaalsContact O-CG 3.24Å; K288-Q292 WeakPolarHBondContact O-CG 3.42Å; K288-Q292 PolarHBondContact O-N 3.38Å; Y289-Q292 WeakPolarHBondContact O-CB 3.38Å; Y289-Q292 PolarHBondContact O-N 2.97Å; M290-Q292 PolarHBondContact O-N 3.37Å; Q292-G294 VanDerWaalsContact C-N 3.32Å
293	K	85.3	Confident	89.1	Confident	131 Å²	131	48.7 Å²	48.7	57%	0.57	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	5.9	172.4	-69.5	-60.3	-172.6	-176.5	0	113.8	Y289 M290 K291 N295	Y289-K293 HydrophobicContact CD1-CG 4.45Å; Y289-K293 HydrophobicContact CE1-CG 3.99Å; Y289-K293 HydrophobicContact CE2-CG 4.49Å; Y289-K293 WeakPolarHBondContact O-CG 3.28Å; Y289-K293 PolarHBondContact O-N 2.95Å; Y289-K293 VanDerWaalsContact OH-CE 3.3Å; Y289-K293 WeakPolarHBondContact OH-CE 3.46Å; M290-K293 CarbonylContact O-C 3.57Å; M290-K293 WeakPolarHBondContact O-CA 3.42Å; M290-K293 WeakPolarHBondContact O-CB 3.19Å; M290-K293 PolarHBondContact O-N 3.07Å; K291-K293 PolarHBondContact O-N 3.15Å; K293-N295 VanDerWaalsContact C-N 3.32Å
294	G	88.3	Confident	89.1	Confident	65 Å²	65	48.8 Å²	48.8	67%	0.67	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	9.4	-177.7	0	0	0	0	0	114.2	M290 K291 Q292	M290-G294 PolarHBondContact O-N 3.29Å; K291-G294 PolarHBondContact O-N 3.21Å; Q292-G294 VanDerWaalsContact C-N 3.32Å
295	N	87.7	Confident	89.1	Confident	51 Å²	51	47.3 Å²	47.3	27%	0.273	23%	0.234	S	C	.	.			trans	-113.3	95.8	-176.2	-64.1	-50.5	0	0	0	110	A134 M290 K291 K293 Y297	A134-N295 WeakPolarHBondContact CB-OD1 3.44Å; M290-N295 CarbonylContact C-O 3.02Å; M290-N295 WeakPolarHBondContact CB-O 3.43Å; M290-N295 HydrophobicContact CE-CB 4.19Å; M290-N295 CarbonylContact O-C 3.45Å; M290-N295 PolarHBondContact O-N 2.86Å; M290-N295 VanDerWaalsContact O-O 3.08Å; K291-N295 PolarHBondContact N-O 3.42Å; K293-N295 VanDerWaalsContact C-N 3.32Å; N295-Y297 PolarHBondContact O-N 2.87Å
296	T	92	Very high	89	Confident	68 Å²	68	41.9 Å²	41.9	42%	0.417	21%	0.211	S	C	.	.			trans	-73.1	112.9	176.9	-52.7	0	0	0	0	110.1	K298	T296-K298 HydrophobicContact CG2-CG 4.45Å
297	Y	93	Very high	89	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	22%	0.217	C	C	.	.			trans	-85.5	120.1	-178.8	-169.4	-67.8	0	0	0	110.2	P131 C135 L138 T232 G234 I287 N295 V300 L301 C319	P131-Y297 HydrophobicContact CB-CD2 4.24Å; P131-Y297 HydrophobicContact CB-CE1 4.32Å; P131-Y297 HydrophobicContact CB-CE2 3.97Å; P131-Y297 HydrophobicContact CG-CE1 4.45Å; P131-Y297 HydrophobicContact CG-CE2 4.22Å; C135-Y297 HydrophobicContact CB-CD2 3.63Å; C135-Y297 HydrophobicContact CB-CE2 4.17Å; C135-Y297 HydrophobicContact CB-CG 4.32Å; L138-Y297 HydrophobicContact CD2-CE2 4.34Å; T232-Y297 HydrophobicContact CG2-CD1 3.58Å; T232-Y297 HydrophobicContact CG2-CE1 4.01Å; G234-Y297 WeakPolarHBondContact CA-O 3.36Å; G234-Y297 PolarHBondContact N-O 2.66Å; I287-Y297 HydrophobicContact CD1-CD1 3.8Å; I287-Y297 HydrophobicContact CD1-CG 3.87Å; N295-Y297 PolarHBondContact O-N 2.87Å; Y297-V300 WeakPolarHBondContact CE1-O 3.3Å; Y297-V300 PolarHBondContact OH-O 3.01Å; Y297-L301 HydrophobicContact CE1-CB 3.98Å; Y297-L301 HydrophobicContact CE2-CD1 4.24Å; Y297-C319 VanDerWaalsContact OH-CA 3.23Å; Y297-C319 WeakPolarHBondContact OH-CA 3.13Å; Y297-C319 PolarHBondContact OH-SG 3.08Å; Y297-C319 VanDerWaalsContact OH-SG 3.33Å
298	K	94.5	Very high	88.8	Confident	59 Å²	59	44.3 Å²	44.3	26%	0.257	22%	0.222	S	C	.	.			trans	-123.2	145.7	177.7	-72.7	-174.8	164.2	-172.5	0	111.2	G130 P131 D233 T296 C371 V372	G130-K298 CarbonylContact C-O 3.57Å; P131-K298 WeakPolarHBondContact CA-O 3.46Å; P131-K298 WeakPolarHBondContact CD-O 3.48Å; D233-K298 WeakPolarHBondContact O-CE 3.08Å; D233-K298 WeakPolarHBondContact O-CG 3.33Å; T296-K298 HydrophobicContact CG2-CG 4.45Å; K298-C371 WeakPolarHBondContact CD-O 3.38Å; K298-C371 WeakPolarHBondContact CE-O 3.42Å; K298-V372 PolarHBondContact NZ-O 3.05Å
299	G	93.7	Very high	88.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.6	-130.6	176.9	0	0	0	0	0	112.5	T232	T232-G299 PolarHBondContact N-O 2.65Å; T232-G299 PolarHBondContact O-N 2.85Å
300	V	92.2	Very high	87.8	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.9	175.8	175.6	0	0	0	0	110.3	F129 L229 C230 F231 M240 Y297 C319 F321	F129-V300 HydrophobicContact CE1-CG2 3.89Å; F129-V300 HydrophobicContact CZ-CG2 3.76Å; L229-V300 HydrophobicContact CB-CG1 4.48Å; L229-V300 HydrophobicContact CD2-CG1 4.17Å; C230-V300 WeakPolarHBondContact O-CA 3.43Å; F231-V300 HydrophobicContact CD1-CG2 4.17Å; F231-V300 HydrophobicContact CE1-CG2 4.17Å; M240-V300 HydrophobicContact CE-CG1 4.02Å; M240-V300 HydrophobicContact CE-CG2 3.84Å; Y297-V300 WeakPolarHBondContact CE1-O 3.3Å; Y297-V300 PolarHBondContact OH-O 3.01Å; V300-C319 CarbonylContact O-C 3.57Å; V300-F321 HydrophobicContact CG1-CD1 4.47Å; V300-F321 HydrophobicContact CG1-CG 4.5Å; V300-F321 HydrophobicContact CG2-CD1 4.12Å; V300-F321 HydrophobicContact CG2-CD2 3.84Å; V300-F321 HydrophobicContact CG2-CE1 3.89Å; V300-F321 HydrophobicContact CG2-CE2 3.59Å; V300-F321 HydrophobicContact CG2-CG 4.11Å; V300-F321 HydrophobicContact CG2-CZ 3.62Å
301	L	91	Very high	87.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.5	160.6	178.3	64	0	0	0	108.3	L138 L229 C230 M283 V286 I287 Y297 F317	L138-L301 HydrophobicContact CD2-CD1 3.59Å; L229-L301 CarbonylContact C-O 3.46Å; L229-L301 WeakPolarHBondContact CA-O 3.48Å; C230-L301 PolarHBondContact N-O 3.34Å; C230-L301 PolarHBondContact O-N 3.43Å; C230-L301 VanDerWaalsContact O-N 3.09Å; M283-L301 HydrophobicContact CE-CB 4.14Å; M283-L301 HydrophobicContact CE-CD2 4.03Å; M283-L301 HydrophobicContact CE-CG 3.86Å; M283-L301 VanDerWaalsContact CE-O 3.3Å; M283-L301 WeakPolarHBondContact CE-O 3.35Å; M283-L301 HydrophobicContact SD-CD2 4.16Å; M283-L301 HydrophobicContact SD-CG 4.46Å; V286-L301 HydrophobicContact CB-CD2 4.2Å; V286-L301 HydrophobicContact CG1-CD2 3.91Å; I287-L301 HydrophobicContact CD1-CB 4.47Å; I287-L301 HydrophobicContact CD1-CD2 3.92Å; I287-L301 HydrophobicContact CG1-CD2 4.32Å; Y297-L301 HydrophobicContact CE1-CB 3.98Å; Y297-L301 HydrophobicContact CE2-CD1 4.24Å; L301-F317 HydrophobicContact CD1-CD1 3.96Å
302	Y	90.8	Very high	87.5	Confident	5 Å²	5	46.2 Å²	46.2	2%	0.02	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.5	171.6	172.2	-62.5	0	0	0	108.5	S227 A228 L229 F317 N318 E325	S227-Y302 PolarHBondContact OG-OH 2.95Å; A228-Y302 CarbonylContact O-C 3.1Å; A228-Y302 WeakPolarHBondContact O-CA 3.34Å; L229-Y302 HydrophobicContact CD1-CD2 3.79Å; L229-Y302 HydrophobicContact CD1-CE2 4.14Å; L229-Y302 HydrophobicContact CD2-CD2 3.95Å; L229-Y302 HydrophobicContact CG-CD2 3.69Å; L229-Y302 HydrophobicContact CG-CG 4.27Å; Y302-F317 CarbonylContact O-C 3.6Å; Y302-F317 VanDerWaalsContact O-CA 3.32Å; Y302-F317 WeakPolarHBondContact O-CA 3.35Å; Y302-N318 WeakPolarHBondContact CB-O 3.5Å; Y302-N318 HydrophobicContact CD1-CB 3.64Å; Y302-N318 VanDerWaalsContact CD1-ND2 3.3Å; Y302-N318 WeakPolarHBondContact CD1-ND2 3.41Å; Y302-N318 HydrophobicContact CE1-CB 4.37Å; Y302-N318 WeakPolarHBondContact CE1-ND2 3.5Å; Y302-N318 HydrophobicContact CG-CB 3.89Å; Y302-N318 PolarHBondContact N-O 3.29Å; Y302-N318 PolarHBondContact O-N 3.31Å; Y302-E325 HydrophobicContact CE2-CG 4.42Å; Y302-E325 WeakPolarHBondContact CE2-OE1 3.43Å; Y302-E325 VanDerWaalsContact CZ-OE1 3.24Å; Y302-E325 PolarHBondContact OH-OE1 3.35Å
303	A	87.8	Confident	87.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.3	169.3	0	0	0	0	0	109.6	A228 I282 M283 L305 F317	A228-A303 PolarHBondContact N-O 3.24Å; A228-A303 PolarHBondContact O-N 3.2Å; I282-A303 HydrophobicContact CG2-CB 4.36Å; M283-A303 HydrophobicContact CE-CB 4.46Å; M283-A303 HydrophobicContact SD-CB 3.74Å; A303-L305 HydrophobicContact CB-CD2 3.84Å; A303-L305 HydrophobicContact CB-CG 4.32Å; A303-F317 HydrophobicContact CB-CD1 3.81Å; A303-F317 HydrophobicContact CB-CE1 3.66Å
304	G	87	Confident	87.3	Confident	2 Å²	2	37.9 Å²	37.9	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	116.5	166.1	0	0	0	0	0	108.3	L315 E316	G304-L315 WeakPolarHBondContact O-CB 3.32Å; G304-L315 PolarHBondContact O-N 2.84Å; G304-E316 PolarHBondContact N-O 2.85Å; G304-E316 PolarHBondContact O-N 2.88Å
305	L	88.4	Confident	86.9	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	160.4	-176	-52.4	-178.6	0	0	0	110.9	E225 I226 A228 I278 I282 A303 I312 F313 V314	E225-L305 WeakPolarHBondContact CA-O 3.26Å; I226-L305 HydrophobicContact CB-CB 4.49Å; I226-L305 PolarHBondContact N-O 2.68Å; I226-L305 WeakPolarHBondContact O-CA 3.46Å; I226-L305 WeakPolarHBondContact O-CB 3.18Å; I226-L305 PolarHBondContact O-N 3.29Å; A228-L305 HydrophobicContact CB-CD1 3.71Å; A228-L305 HydrophobicContact CB-CG 4.32Å; I278-L305 HydrophobicContact CD1-CD1 3.63Å; I278-L305 HydrophobicContact CG1-CD1 3.85Å; I278-L305 HydrophobicContact CG2-CD1 4.04Å; I282-L305 HydrophobicContact CD1-CD1 4.47Å; I282-L305 HydrophobicContact CD1-CD2 3.94Å; A303-L305 HydrophobicContact CB-CD2 3.84Å; A303-L305 HydrophobicContact CB-CG 4.32Å; L305-I312 HydrophobicContact CB-CG2 4.22Å; L305-I312 HydrophobicContact CD1-CG2 4.08Å; L305-F313 CarbonylContact C-O 3.47Å; L305-F313 VanDerWaalsContact CA-O 3.24Å; L305-F313 WeakPolarHBondContact CA-O 3.43Å; L305-V314 HydrophobicContact CD2-CB 4.26Å; L305-V314 HydrophobicContact CD2-CG1 4.42Å; L305-V314 HydrophobicContact CD2-CG2 3.76Å
306	I	86.7	Confident	86.5	Confident	8 Å²	8	36.9 Å²	36.9	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.3	165	-167.6	167.4	0	0	0	110	L221 E224 I312 F313 L315	L221-I306 HydrophobicContact CB-CD1 4.05Å; L221-I306 HydrophobicContact CB-CG2 3.98Å; L221-I306 HydrophobicContact CD1-CG2 3.65Å; L221-I306 HydrophobicContact CG-CG2 4.48Å; E224-I306 CarbonylContact O-C 3.59Å; E224-I306 WeakPolarHBondContact O-CA 3.26Å; I306-I312 WeakPolarHBondContact O-CA 3.47Å; I306-F313 HydrophobicContact CG2-CB 3.94Å; I306-F313 PolarHBondContact N-O 3.28Å; I306-F313 PolarHBondContact O-N 3.08Å; I306-L315 HydrophobicContact CB-CD1 4.09Å; I306-L315 HydrophobicContact CB-CD2 4.14Å; I306-L315 HydrophobicContact CB-CG 4.09Å; I306-L315 HydrophobicContact CG2-CD2 3.71Å; I306-L315 HydrophobicContact CG2-CG 4.06Å
307	K	86.3	Confident	86.1	Confident	41 Å²	41	34.1 Å²	34.1	18%	0.178	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	106.9	173.5	-170.8	-161.6	-161.7	-43.7	0	108.9	G223 E224 I226 K269 L270 E274 I312	G223-K307 CarbonylContact C-O 3.51Å; G223-K307 WeakPolarHBondContact CA-O 3.4Å; E224-K307 PolarHBondContact N-O 2.98Å; E224-K307 PolarHBondContact O-N 2.64Å; I226-K307 HydrophobicContact CD1-CB 3.67Å; K269-K307 WeakPolarHBondContact O-CE 3.27Å; L270-K307 HydrophobicContact CD2-CD 3.64Å; L270-K307 VanDerWaalsContact CD2-CE 3.45Å; L270-K307 HydrophobicContact CD2-CG 4.22Å; E274-K307 VanDerWaalsContact OE1-CE 3.25Å; E274-K307 WeakPolarHBondContact OE1-CE 3.4Å; E274-K307 IonicContact OE1-NZ 3.23Å; E274-K307 PolarHBondContact OE1-NZ 3.15Å; E274-K307 WeakPolarHBondContact OE2-CE 3.47Å; E274-K307 IonicContact OE2-NZ 2.77Å; E274-K307 PolarHBondContact OE2-NZ 2.94Å; K307-I312 HydrophobicContact CB-CG1 4.38Å; K307-I312 HydrophobicContact CG-CG1 4.1Å
308	T	85.3	Confident	85.8	Confident	19 Å²	19	34.6 Å²	34.6	12%	0.117	18%	0.183	C	C	.	.			trans	-82.5	173.6	167.6	70.4	0	0	0	0	109.7	V222 S310 N311 F313	V222-T308 WeakPolarHBondContact O-CG2 3.42Å; T308-S310 PolarHBondContact O-N 2.94Å; T308-S310 VanDerWaalsContact O-N 3.09Å; T308-S310 PolarHBondContact OG1-N 3.44Å; T308-N311 PolarHBondContact N-O 3.01Å; T308-N311 PolarHBondContact OG1-N 3.15Å; T308-N311 PolarHBondContact OG1-O 3.49Å; T308-F313 HydrophobicContact CG2-CD2 3.81Å; T308-F313 HydrophobicContact CG2-CE2 3.73Å
309	D	77.3	Confident	85.5	Confident	160 Å²	160	31.9 Å²	31.9	86%	0.856	17%	0.172	S	C	*	.	S	Bend	trans	-62.2	-16.1	176.8	-63	-39.4	0	0	0	114
310	S	75.6	Confident	85.3	Confident	94 Å²	94	34.1 Å²	34.1	66%	0.657	18%	0.18	S	C	*	.	S	Bend	trans	-121.7	-26.2	-175.8	65	0	0	0	0	115.5	T308	T308-S310 PolarHBondContact O-N 2.94Å; T308-S310 VanDerWaalsContact O-N 3.09Å; T308-S310 PolarHBondContact OG1-N 3.44Å
311	N	82.6	Confident	85.3	Confident	90 Å²	90	34.3 Å²	34.3	48%	0.481	18%	0.181	S	C	.	.			trans	-154	156.2	-167.3	-75.3	-85	0	0	0	112.3	T308 F313	T308-N311 PolarHBondContact N-O 3.01Å; T308-N311 PolarHBondContact OG1-N 3.15Å; T308-N311 PolarHBondContact OG1-O 3.49Å; N311-F313 HydrophobicContact CB-CD2 4.24Å; N311-F313 HydrophobicContact CB-CE2 3.49Å; N311-F313 VanDerWaalsContact CB-CE2 3.49Å; N311-F313 HydrophobicContact CB-CZ 3.65Å
312	I	85.2	Confident	85.1	Confident	17 Å²	17	34.3 Å²	34.3	9%	0.087	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.2	172.4	-61.4	169.4	0	0	0	109.2	L270 E274 F277 I278 I282 L305 I306 K307	L270-I312 HydrophobicContact CD1-CD1 4.33Å; L270-I312 HydrophobicContact CD2-CD1 3.94Å; E274-I312 HydrophobicContact CB-CD1 3.82Å; E274-I312 HydrophobicContact CG-CD1 4.01Å; F277-I312 HydrophobicContact CE1-CB 4.44Å; I278-I312 HydrophobicContact CD1-CD1 4.2Å; I278-I312 HydrophobicContact CG1-CD1 4.37Å; I278-I312 HydrophobicContact CG1-CG2 4.41Å; I282-I312 HydrophobicContact CD1-CG2 4.44Å; L305-I312 HydrophobicContact CB-CG2 4.22Å; L305-I312 HydrophobicContact CD1-CG2 4.08Å; I306-I312 WeakPolarHBondContact O-CA 3.47Å; K307-I312 HydrophobicContact CB-CG1 4.38Å; K307-I312 HydrophobicContact CG-CG1 4.1Å
313	F	83.8	Confident	85	Confident	77 Å²	77	35 Å²	35	34%	0.338	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.7	-179.8	-59.9	-89.3	0	0	0	111.7	L221 L305 I306 T308 N311	L221-F313 HydrophobicContact CD1-CB 3.61Å; L221-F313 HydrophobicContact CD1-CD1 4.44Å; L221-F313 HydrophobicContact CD1-CD2 4Å; L221-F313 HydrophobicContact CD1-CG 3.78Å; L221-F313 HydrophobicContact CD2-CD2 4.5Å; L305-F313 CarbonylContact C-O 3.47Å; L305-F313 VanDerWaalsContact CA-O 3.24Å; L305-F313 WeakPolarHBondContact CA-O 3.43Å; I306-F313 HydrophobicContact CG2-CB 3.94Å; I306-F313 PolarHBondContact N-O 3.28Å; I306-F313 PolarHBondContact O-N 3.08Å; T308-F313 HydrophobicContact CG2-CD2 3.81Å; T308-F313 HydrophobicContact CG2-CE2 3.73Å; N311-F313 HydrophobicContact CB-CD2 4.24Å; N311-F313 HydrophobicContact CB-CE2 3.49Å; N311-F313 VanDerWaalsContact CB-CE2 3.49Å; N311-F313 HydrophobicContact CB-CZ 3.65Å
314	V	84.2	Confident	85.1	Confident	36 Å²	36	35 Å²	35	22%	0.218	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.6	173.7	-174.9	0	0	0	0	110.1	I282 L305 F317	I282-V314 HydrophobicContact CD1-CG2 3.89Å; I282-V314 HydrophobicContact CG1-CG2 4.12Å; I282-V314 HydrophobicContact CG2-CG2 3.69Å; L305-V314 HydrophobicContact CD2-CB 4.26Å; L305-V314 HydrophobicContact CD2-CG1 4.42Å; L305-V314 HydrophobicContact CD2-CG2 3.76Å; V314-F317 HydrophobicContact CG1-CD2 4.21Å; V314-F317 HydrophobicContact CG1-CE1 4.2Å; V314-F317 HydrophobicContact CG1-CE2 3.74Å; V314-F317 HydrophobicContact CG1-CZ 3.72Å; V314-F317 HydrophobicContact CG2-CZ 4.26Å
315	L	79	Confident	85.2	Confident	33 Å²	33	35.3 Å²	35.3	17%	0.173	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-45.7	173	-62.7	179.5	0	0	0	111.7	K176 L221 E225 G304 I306	K176-L315 PolarHBondContact NZ-O 3.19Å; L221-L315 HydrophobicContact CD1-CD2 4.4Å; E225-L315 HydrophobicContact CG-CD1 3.95Å; G304-L315 WeakPolarHBondContact O-CB 3.32Å; G304-L315 PolarHBondContact O-N 2.84Å; I306-L315 HydrophobicContact CB-CD1 4.09Å; I306-L315 HydrophobicContact CB-CD2 4.14Å; I306-L315 HydrophobicContact CB-CG 4.09Å; I306-L315 HydrophobicContact CG2-CD2 3.71Å; I306-L315 HydrophobicContact CG2-CG 4.06Å
316	E	79.4	Confident	85.2	Confident	61 Å²	61	35.2 Å²	35.2	29%	0.285	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	164.2	-175.1	59.6	-175.3	-137.6	0	0	111.6	G304 N318	G304-E316 PolarHBondContact N-O 2.85Å; G304-E316 PolarHBondContact O-N 2.88Å; E316-N318 PolarHBondContact OE1-ND2 2.86Å
317	F	84.1	Confident	85.4	Confident	11 Å²	11	34.9 Å²	34.9	5%	0.048	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	152.3	165.4	-70.3	-74.9	0	0	0	109.3	L138 E139 L143 I282 V286 L301 Y302 A303 V314	L138-F317 HydrophobicContact CD1-CD2 4.32Å; L138-F317 HydrophobicContact CD2-CB 3.93Å; L138-F317 HydrophobicContact CD2-CD1 4.37Å; L138-F317 HydrophobicContact CD2-CD2 4.35Å; L138-F317 HydrophobicContact CD2-CG 3.97Å; L138-F317 HydrophobicContact CG-CB 3.93Å; L138-F317 HydrophobicContact CG-CD2 4.16Å; L138-F317 HydrophobicContact CG-CG 4.13Å; E139-F317 WeakPolarHBondContact CA-O 3.37Å; L143-F317 HydrophobicContact CD1-CE2 3.95Å; L143-F317 HydrophobicContact CG-CE2 4.48Å; I282-F317 HydrophobicContact CG2-CE1 4Å; I282-F317 HydrophobicContact CG2-CZ 4.02Å; V286-F317 HydrophobicContact CG2-CE1 4.02Å; V286-F317 HydrophobicContact CG2-CE2 4.07Å; V286-F317 HydrophobicContact CG2-CZ 3.54Å; L301-F317 HydrophobicContact CD1-CD1 3.96Å; Y302-F317 CarbonylContact O-C 3.6Å; Y302-F317 VanDerWaalsContact O-CA 3.32Å; Y302-F317 WeakPolarHBondContact O-CA 3.35Å; A303-F317 HydrophobicContact CB-CD1 3.81Å; A303-F317 HydrophobicContact CB-CE1 3.66Å; V314-F317 HydrophobicContact CG1-CD2 4.21Å; V314-F317 HydrophobicContact CG1-CE1 4.2Å; V314-F317 HydrophobicContact CG1-CE2 3.74Å; V314-F317 HydrophobicContact CG1-CZ 3.72Å; V314-F317 HydrophobicContact CG2-CZ 4.26Å
318	N	86.3	Confident	85	Confident	11 Å²	11	32.9 Å²	32.9	6%	0.059	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.6	175.7	-70.6	-71.7	0	0	0	108.5	E139 Y302 E316 R320	E139-N318 PolarHBondContact OE1-OD1 3.45Å; Y302-N318 WeakPolarHBondContact CB-O 3.5Å; Y302-N318 HydrophobicContact CD1-CB 3.64Å; Y302-N318 VanDerWaalsContact CD1-ND2 3.3Å; Y302-N318 WeakPolarHBondContact CD1-ND2 3.41Å; Y302-N318 HydrophobicContact CE1-CB 4.37Å; Y302-N318 WeakPolarHBondContact CE1-ND2 3.5Å; Y302-N318 HydrophobicContact CG-CB 3.89Å; Y302-N318 PolarHBondContact N-O 3.29Å; Y302-N318 PolarHBondContact O-N 3.31Å; E316-N318 PolarHBondContact OE1-ND2 2.86Å; N318-R320 PolarHBondContact OD1-NH1 2.88Å; N318-R320 PolarHBondContact OD1-NH2 3.25Å
319	C	88.8	Confident	83.3	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.014	17%	0.17	C	C	.	.	S	Bend	trans	-104.9	21.9	-165.2	-77.5	0	0	0	0	116.3	E110 L113 P131 Y297 V300	E110-C319 WeakPolarHBondContact OE1-CB 3.44Å; E110-C319 WeakPolarHBondContact OE2-CB 3.42Å; E110-C319 PolarHBondContact OE2-N 2.84Å; L113-C319 HydrophobicContact CD1-CB 4.17Å; L113-C319 WeakPolarHBondContact CD1-O 3.12Å; P131-C319 WeakPolarHBondContact CD-O 3.17Å; P131-C319 HydrophobicContact CG-CB 3.74Å; P131-C319 WeakPolarHBondContact CG-O 3.35Å; Y297-C319 VanDerWaalsContact OH-CA 3.23Å; Y297-C319 WeakPolarHBondContact OH-CA 3.13Å; Y297-C319 PolarHBondContact OH-SG 3.08Å; Y297-C319 VanDerWaalsContact OH-SG 3.33Å; V300-C319 CarbonylContact O-C 3.57Å
320	R	90.6	Very high	81.7	Confident	46 Å²	46	24.6 Å²	24.6	17%	0.174	13%	0.131	C	C	.	.	S	Bend	trans	-161.4	167.8	-167.1	67.3	-42	-153.1	-117.9	25.1	109.2	G108 E110 L113 E139 N318	G108-R320 WeakPolarHBondContact O-CB 3.33Å; G108-R320 VanDerWaalsContact O-CG 3.28Å; G108-R320 WeakPolarHBondContact O-CG 3.5Å; E110-R320 WeakPolarHBondContact OE2-CD 3.16Å; E110-R320 IonicContact OE2-CZ 3.38Å; E110-R320 IonicContact OE2-NE 3.58Å; E110-R320 PolarHBondContact OE2-NE 2.91Å; E110-R320 IonicContact OE2-NH2 2.72Å; L113-R320 HydrophobicContact CD1-CB 4.15Å; E139-R320 IonicContact OE1-CZ 3.58Å; E139-R320 IonicContact OE1-NH2 2.68Å; E139-R320 PolarHBondContact OE1-NH2 3.41Å; N318-R320 PolarHBondContact OD1-NH1 2.88Å; N318-R320 PolarHBondContact OD1-NH2 3.25Å
321	F	90.5	Very high	79.8	Confident	6 Å²	6	20.9 Å²	20.9	3%	0.026	10%	0.102	C	C	.	.			trans	-60.5	153.5	171	-61.5	-94.1	0	0	0	111.3	R30 I34 F129 L229 F231 M240 V300 A326 M368	R30-F321 WeakPolarHBondContact CD-O 3.29Å; R30-F321 HydrophobicContact CG-CB 4.12Å; R30-F321 PolarHBondContact NH1-O 3.12Å; I34-F321 HydrophobicContact CD1-CD2 3.65Å; I34-F321 HydrophobicContact CD1-CE2 3.98Å; I34-F321 HydrophobicContact CD1-CG 4.46Å; I34-F321 HydrophobicContact CG1-CD2 4.28Å; I34-F321 HydrophobicContact CG1-CE2 4.28Å; F129-F321 HydrophobicContact CE1-CE2 4.04Å; L229-F321 HydrophobicContact CD2-CB 4.48Å; L229-F321 HydrophobicContact CD2-CD1 4.05Å; F231-F321 HydrophobicContact CE1-CE1 4.26Å; F231-F321 AromaticContact CE1-CZ 3.7Å; F231-F321 HydrophobicContact CE1-CZ 3.7Å; F231-F321 HydrophobicContact CZ-CE1 4.13Å; F231-F321 AromaticContact CZ-CZ 3.88Å; F231-F321 HydrophobicContact CZ-CZ 3.88Å; M240-F321 HydrophobicContact CE-CD1 4.19Å; M240-F321 HydrophobicContact CE-CE1 3.63Å; M240-F321 HydrophobicContact CE-CZ 4.34Å; M240-F321 HydrophobicContact SD-CD1 4.28Å; M240-F321 HydrophobicContact SD-CE1 3.89Å; V300-F321 HydrophobicContact CG1-CD1 4.47Å; V300-F321 HydrophobicContact CG1-CG 4.5Å; V300-F321 HydrophobicContact CG2-CD1 4.12Å; V300-F321 HydrophobicContact CG2-CD2 3.84Å; V300-F321 HydrophobicContact CG2-CE1 3.89Å; V300-F321 HydrophobicContact CG2-CE2 3.59Å; V300-F321 HydrophobicContact CG2-CG 4.11Å; V300-F321 HydrophobicContact CG2-CZ 3.62Å; F321-A326 HydrophobicContact CB-CB 3.92Å; F321-M368 HydrophobicContact CE2-CE 4.1Å
322	G	86.8	Confident	77.3	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.01	9%	0.094	C	C	.	.			trans	-69.2	176.3	170.7	0	0	0	0	0	113	R30 E325 A326	R30-G322 WeakPolarHBondContact CB-O 3.47Å; R30-G322 WeakPolarHBondContact CD-O 3.45Å; G322-E325 VanDerWaalsContact C-OE2 3.27Å; G322-E325 VanDerWaalsContact CA-OE2 3.23Å; G322-E325 WeakPolarHBondContact CA-OE2 3.49Å; G322-A326 WeakPolarHBondContact O-CB 3.35Å; G322-A326 PolarHBondContact O-N 2.97Å
323	D	89.1	Confident	74.6	Confident	18 Å²	18	23.4 Å²	23.4	10%	0.096	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-156.3	104.1	173.2	170.4	-13.8	0	0	0	104.5	R30 E325 R443	R30-D323 HydrophobicContact CB-CB 3.92Å; D323-E325 PolarHBondContact N-OE2 3.48Å; D323-R443 VanDerWaalsContact O-CZ 3.31Å; D323-R443 PolarHBondContact O-NH1 2.74Å; D323-R443 PolarHBondContact O-NH2 3.43Å; D323-R443 VanDerWaalsContact O-NH2 3.09Å; D323-R443 IonicContact OD1-CZ 3.02Å; D323-R443 IonicContact OD1-NE 2.73Å; D323-R443 IonicContact OD1-NH1 3.02Å; D323-R443 PolarHBondContact OD1-NH1 2.62Å; D323-R443 IonicContact OD1-NH2 3.48Å; D323-R443 PolarHBondContact OD1-NH2 2.81Å; D323-R443 IonicContact OD2-CZ 3.96Å; D323-R443 IonicContact OD2-NH2 3.11Å; D323-R443 PolarHBondContact OD2-NH2 3.13Å
324	P	90	Very high	72	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.1	20	23.4	38.5	-36.3	0	0	0	116	S263 E327 V393	S263-P324 PolarHBondContact OG-O 3.37Å; P324-E327 WeakPolarHBondContact CA-OE2 3.41Å; P324-E327 PolarHBondContact O-N 3.08Å; P324-V393 HydrophobicContact CB-CG2 3.84Å; P324-V393 HydrophobicContact CG-CG2 3.92Å
325	E	90.2	Very high	69.3	Low	9 Å²	9	31.4 Å²	31.4	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-72.5	-25.7	-177.3	-54.9	97.4	122.9	0	0	113.8	S227 V243 D245 Y302 G322 D323 E327 V328	S227-E325 PolarHBondContact OG-OE1 3.09Å; V243-E325 HydrophobicContact CB-CB 4.29Å; V243-E325 HydrophobicContact CB-CG 4.31Å; V243-E325 HydrophobicContact CG1-CB 3.9Å; V243-E325 HydrophobicContact CG1-CG 3.76Å; V243-E325 HydrophobicContact CG2-CB 4.37Å; D245-E325 HydrophobicContact CB-CG 4.03Å; Y302-E325 HydrophobicContact CE2-CG 4.42Å; Y302-E325 WeakPolarHBondContact CE2-OE1 3.43Å; Y302-E325 VanDerWaalsContact CZ-OE1 3.24Å; Y302-E325 PolarHBondContact OH-OE1 3.35Å; G322-E325 VanDerWaalsContact C-OE2 3.27Å; G322-E325 VanDerWaalsContact CA-OE2 3.23Å; G322-E325 WeakPolarHBondContact CA-OE2 3.49Å; D323-E325 PolarHBondContact N-OE2 3.48Å; E325-E327 PolarHBondContact O-N 3.4Å; E325-V328 WeakPolarHBondContact O-CG2 3.4Å
326	A	88.5	Confident	67	Low	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-73.9	-14.4	175.8	0	0	0	0	0	113.3	R30 S33 F321 G322 S329	R30-A326 HydrophobicContact CB-CB 3.77Å; R30-A326 HydrophobicContact CG-CB 3.7Å; S33-A326 WeakPolarHBondContact CB-O 3.45Å; S33-A326 PolarHBondContact OG-O 3.47Å; F321-A326 HydrophobicContact CB-CB 3.92Å; G322-A326 WeakPolarHBondContact O-CB 3.35Å; G322-A326 PolarHBondContact O-N 2.97Å; A326-S329 VanDerWaalsContact O-O 3.05Å
327	E	89.7	Confident	64.4	Low	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-87.7	-19.9	-178	-67.5	89.5	141.9	0	0	111.7	G29 R30 P324 E325 P358 Y425 C446 V448	G29-E327 WeakPolarHBondContact CA-OE1 3.42Å; R30-E327 PolarHBondContact N-OE1 3Å; P324-E327 WeakPolarHBondContact CA-OE2 3.41Å; P324-E327 PolarHBondContact O-N 3.08Å; E325-E327 PolarHBondContact O-N 3.4Å; E327-P358 WeakPolarHBondContact O-CD 3.32Å; E327-P358 VanDerWaalsContact O-CG 3.28Å; E327-P358 WeakPolarHBondContact O-CG 3.44Å; E327-Y425 HydrophobicContact CB-CD2 3.71Å; E327-Y425 HydrophobicContact CB-CE2 4.18Å; E327-Y425 HydrophobicContact CB-CG 4.35Å; E327-Y425 HydrophobicContact CG-CD2 3.75Å; E327-Y425 HydrophobicContact CG-CG 3.86Å; E327-C446 HydrophobicContact CG-CB 4.24Å; E327-V448 HydrophobicContact CB-CG2 3.96Å; E327-V448 WeakPolarHBondContact O-CG2 3.49Å
328	V	77	Confident	61.7	Low	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-103.5	-4.9	175.8	-64	0	0	0	0	114.3	V243 S263 C265 E325 P358 T389 V448	V243-V328 HydrophobicContact CG1-CG2 3.67Å; V243-V328 HydrophobicContact CG2-CG2 4.17Å; S263-V328 VanDerWaalsContact OG-CG1 3.28Å; S263-V328 WeakPolarHBondContact OG-CG1 3.44Å; S263-V328 WeakPolarHBondContact OG-CG2 3.14Å; C265-V328 HydrophobicContact CB-CB 3.97Å; C265-V328 HydrophobicContact CB-CG2 3.82Å; E325-V328 WeakPolarHBondContact O-CG2 3.4Å; V328-P358 VanDerWaalsContact C-CD 3.45Å; V328-T389 PolarHBondContact O-OG1 3.49Å; V328-T389 VanDerWaalsContact O-OG1 3.13Å; V328-V448 HydrophobicContact CG1-CG1 4.05Å; V328-V448 HydrophobicContact CG1-CG2 4.43Å
329	S	51.2	Low	58.8	Low	2 Å²	2	51.6 Å²	51.6	1%	0.014	27%	0.272	C	S	.	.	S	Bend	trans	-104	159.9	164.3	-106.4	0	0	0	0	110	A326 M357 P358	A326-S329 VanDerWaalsContact O-O 3.05Å; S329-M357 CarbonylContact O-C 3.43Å; S329-M357 WeakPolarHBondContact O-CA 3.34Å; S329-M357 WeakPolarHBondContact O-CB 3.37Å; S329-M357 WeakPolarHBondContact O-CG 3.28Å; S329-P358 VanDerWaalsContact C-N 3.3Å; S329-P358 WeakPolarHBondContact O-CD 3.41Å
330	P	43.8	Very low	55.9	Low	3 Å²	3	58.6 Å²	58.6	2%	0.019	31%	0.314	C	S	.	.				-134.2	147.1	-66.8	30.9	-4	0	0	0	121.5	M357 L359 L360 W383	P330-M357 CarbonylContact C-O 3.59Å; P330-M357 WeakPolarHBondContact CA-O 3.1Å; P330-M357 WeakPolarHBondContact CD-SD 3.48Å; P330-M357 VanDerWaalsContact N-C 3.33Å; P330-M357 CarbonylContact O-C 3.5Å; P330-M357 WeakPolarHBondContact O-CB 3.09Å; P330-M357 VanDerWaalsContact O-O 3.07Å; P330-L359 VanDerWaalsContact C-N 3.27Å; P330-L359 VanDerWaalsContact CB-CA 3.48Å; P330-L359 HydrophobicContact CB-CB 3.86Å; P330-L360 HydrophobicContact CB-CB 3.27Å; P330-L360 VanDerWaalsContact CB-N 3.33Å; P330-L360 HydrophobicContact CG-CB 3.41Å; P330-L360 VanDerWaalsContact CG-CB 3.41Å; P330-L360 HydrophobicContact CG-CD2 4.17Å; P330-L360 HydrophobicContact CG-CG 4.3Å; P330-W383 HydrophobicContact CB-CE3 3.86Å; P330-W383 HydrophobicContact CB-CZ3 3.86Å; P330-W383 HydrophobicContact CG-CE3 3.61Å; P330-W383 HydrophobicContact CG-CH2 3.99Å; P330-W383 HydrophobicContact CG-CZ3 3.1Å
331	R	35.5	Very low	52.9	Low	15 Å²	15	61 Å²	61	6%	0.057	34%	0.344	C	S	.	.			trans	-103.4	147	-155.7	-169.8	171.3	-177.6	176	5.6	118.4	L356 M357 P358 L360 R384 P420 S450	R331-L356 HydrophobicContact CB-CB 4.4Å; R331-L356 HydrophobicContact CG-CB 4.48Å; R331-M357 WeakPolarHBondContact CA-O 3.42Å; R331-M357 WeakPolarHBondContact CB-O 3.38Å; R331-M357 PolarHBondContact N-O 3.19Å; R331-P358 VanDerWaalsContact CB-CA 3.49Å; R331-P358 WeakPolarHBondContact CB-O 3.39Å; R331-L360 CarbonylContact C-O 3.58Å; R331-L360 CarbonylContact O-C 3.38Å; R331-L360 PolarHBondContact O-N 3.08Å; R331-R384 VanDerWaalsContact O-CD 3.24Å; R331-R384 WeakPolarHBondContact O-CD 3.5Å; R331-R384 PolarHBondContact O-NE 2.93Å; R331-P420 PolarHBondContact NH2-O 3.46Å; R331-S450 VanDerWaalsContact NH1-CB 3.26Å; R331-S450 PolarHBondContact NH1-OG 3.48Å
332	S	29.5	Very low	49.9	Very low	45 Å²	45	71.5 Å²	71.5	32%	0.315	38%	0.383	S	S	.	.			trans	-105.5	156.2	162.5	-167.6	0	0	0	0	112	L360	S332-L360 PolarHBondContact N-O 3.41Å
333	Y	28.9	Very low	47.1	Very low	115 Å²	115	78.6 Å²	78.6	45%	0.451	42%	0.42	S	S	.	.			trans	-164.9	94.5	-180	-141.6	-55.9	0	0	0	105.6	R384	Y333-R384 VanDerWaalsContact CB-CZ 3.44Å; Y333-R384 PolarHBondContact O-NH2 3.02Å
334	S	28.7	Very low	44.3	Very low	101 Å²	101	84.2 Å²	84.2	71%	0.706	45%	0.45	S	S	*	.			trans	-95.4	130	167.2	46.9	0	0	0	0	107.8
335	E	27.7	Very low	41.4	Very low	181 Å²	181	92.4 Å²	92.4	85%	0.846	49%	0.486	S	S	*	.			trans	55.3	100.2	165.5	-54.5	-166.9	165.1	0	0	117.9
336	L	29.8	Very low	38.5	Very low	124 Å²	124	99.4 Å²	99.4	65%	0.649	52%	0.523	S	S	*	.			trans	-141.8	87.9	137.9	-110.2	171	0	0	0	108.7	F338	L336-F338 PolarHBondContact O-N 3.39Å
337	S	25.8	Very low	35.7	Very low	97 Å²	97	109.3 Å²	109.3	68%	0.678	57%	0.567	S	S	*	*			trans	-65.5	106	166.2	34.4	0	0	0	0	109.2	T339	S337-T339 PolarHBondContact O-N 3.28Å
338	F	27.7	Very low	32.8	Very low	200 Å²	200	116 Å²	116	88%	0.877	60%	0.603	S	S	*	*			trans	-79.7	70.5	169.6	-114.9	-87.8	0	0	0	110.7	L336	L336-F338 PolarHBondContact O-N 3.39Å
339	T	25.8	Very low	30.4	Very low	119 Å²	119	124 Å²	124	73%	0.73	64%	0.643	S	S	*	*			trans	-99.9	132.1	162.3	-52.7	0	0	0	0	108.4	S337 A341	S337-T339 PolarHBondContact O-N 3.28Å; T339-A341 PolarHBondContact O-N 2.97Å
340	V	26.3	Very low	29.4	Very low	148 Å²	148	133.9 Å²	133.9	90%	0.897	68%	0.682	S	S	*	*			trans	-49.2	117.1	178.2	178.5	0	0	0	0	112.7
341	A	28.7	Very low	28.6	Very low	97 Å²	97	141.5 Å²	141.5	80%	0.802	72%	0.723	S	S	*	*			trans	-158.2	137.8	158.5	0	0	0	0	0	114.4	T339	T339-A341 PolarHBondContact O-N 2.97Å
342	R	26.5	Very low	28.2	Very low	227 Å²	227	148.5 Å²	148.5	86%	0.857	75%	0.754	S	S	*	*			trans	-70.3	155.1	176.6	-93.4	174.2	171.7	161	-3.5	114.6
343	L	28.5	Very low	28.1	Very low	149 Å²	149	152.2 Å²	152.2	78%	0.78	77%	0.768	S	S	*	*			trans	67.1	154.5	152.3	-60	158.7	0	0	0	115
344	D	30.5	Very low	27.9	Very low	136 Å²	136	153.3 Å²	153.3	73%	0.727	78%	0.78	S	S	*	*			cis	-145.4	-179.8	12.3	-146.5	-27.6	0	0	0	112
345	K	29	Very low	28.1	Very low	173 Å²	173	149.8 Å²	149.8	75%	0.752	75%	0.754	S	S	*	*			trans	-75.5	159.8	-177.8	-63.2	168.3	-178.3	173	0	112.9
346	N	29	Very low	28.6	Very low	156 Å²	156	141.2 Å²	141.2	83%	0.834	71%	0.714	S	S	*	*			trans	83.8	85	173.2	-44.7	-42.6	0	0	0	116.3
347	F	29.2	Very low	29.7	Very low	207 Å²	207	135.3 Å²	135.3	91%	0.908	68%	0.683	S	S	*	*			trans	-153.9	152.2	143.9	-124	-84.8	0	0	0	110.9
348	D	29.7	Very low	31	Very low	142 Å²	142	130.7 Å²	130.7	76%	0.759	65%	0.65	S	S	*	*			trans	-62.2	141.8	-163.3	-95.2	-57.5	0	0	0	116.9	Y350	D348-Y350 VanDerWaalsContact C-N 3.26Å; D348-Y350 PolarHBondContact O-N 3.43Å
349	I	27.5	Very low	32.3	Very low	166 Å²	166	121.2 Å²	121.2	85%	0.851	61%	0.609	S	S	*	*	S	Bend	trans	-83.7	36.8	-168.9	-74.2	170	0	0	0	113.2
350	Y	29.2	Very low	34.4	Very low	210 Å²	210	115.6 Å²	115.6	82%	0.824	57%	0.574	S	S	*	*			trans	-113.9	18	-169.3	-104.3	-75.6	0	0	0	117.7	D348	D348-Y350 VanDerWaalsContact C-N 3.26Å; D348-Y350 PolarHBondContact O-N 3.43Å
351	N	27.3	Very low	36.6	Very low	164 Å²	164	112.8 Å²	112.8	88%	0.877	55%	0.551	S	S	*	*			trans	-128.9	30.5	-176.5	-82.2	-39.1	0	0	0	115.8
352	K	27	Very low	39.2	Very low	162 Å²	162	109.1 Å²	109.1	70%	0.704	52%	0.52	S	S	*	.			trans	-79.4	146.6	168.5	-95.7	-171.4	168.4	-168.2	0	111.2	D417	K352-D417 IonicContact NZ-OD1 3.99Å; K352-D417 PolarHBondContact NZ-OD1 3.17Å
353	I	26.7	Very low	42.2	Very low	122 Å²	122	99.8 Å²	99.8	63%	0.626	49%	0.487	S	S	*	.			trans	91.7	99.6	174.6	-51.6	163.4	0	0	0	115.5
354	M	25.9	Very low	45.1	Very low	139 Å²	139	92.7 Å²	92.7	69%	0.685	45%	0.45	S	S	*	.			trans	-151.6	96.6	169	-82.5	-175.8	62.1	0	0	111.7
355	V	32	Very low	48.1	Very low	27 Å²	27	86.4 Å²	86.4	16%	0.164	42%	0.416	C	S	.	.			trans	-146.9	115	163.7	-157.9	0	0	0	0	114.9	H36 V423 Y425	H36-V355 PolarHBondContact CE1-N 2.7Å; H36-V355 PolarHBondContact CE1-O 2.64Å; H36-V355 PolarHBondContact ND1-O 2.68Å; V355-V423 HydrophobicContact CB-CB 4.42Å; V355-V423 HydrophobicContact CB-CG1 4.15Å; V355-V423 HydrophobicContact CB-CG2 3.56Å; V355-V423 HydrophobicContact CG1-CG2 3.35Å; V355-V423 HydrophobicContact CG2-CG2 4.45Å; V355-V423 VanDerWaalsContact O-CG1 3.24Å; V355-V423 WeakPolarHBondContact O-CG1 3.4Å; V355-Y425 PolarHBondContact O-OH 3.32Å
356	L	38.5	Very low	51.1	Low	1 Å²	1	81.7 Å²	81.7	1%	0.005	40%	0.397	C	S	.	.			trans	-79.2	172.6	-171.3	-70.4	178.3	0	0	0	116	H36 K37 Q40 R331 P358 Y425	H36-L356 WeakPolarHBondContact O-CD2 3.32Å; K37-L356 VanDerWaalsContact CA-CD2 3.41Å; K37-L356 HydrophobicContact CB-CD2 4.05Å; K37-L356 HydrophobicContact CD-CD1 3.4Å; K37-L356 HydrophobicContact CD-CD2 4.02Å; K37-L356 HydrophobicContact CD-CG 4.18Å; Q40-L356 HydrophobicContact CB-CD2 4.46Å; Q40-L356 HydrophobicContact CG-CD1 4.48Å; Q40-L356 HydrophobicContact CG-CD2 3.8Å; Q40-L356 HydrophobicContact CG-CG 4.32Å; Q40-L356 VanDerWaalsContact OE1-CG 3.26Å; R331-L356 HydrophobicContact CB-CB 4.4Å; R331-L356 HydrophobicContact CG-CB 4.48Å; L356-P358 WeakPolarHBondContact O-CD 3.43Å; L356-Y425 PolarHBondContact O-OH 3.47Å
357	M	53.2	Low	54.1	Low	0 Å²	0	74.5 Å²	74.5	0%	0	36%	0.358	C	S	.	.	S	Bend		-11.6	120	128.4	-93.9	-118.1	-70.4	0	0	109.1	S33 K37 S329 P330 R331 L364 Y425	S33-M357 WeakPolarHBondContact O-CG 3.49Å; K37-M357 HydrophobicContact CB-CB 4.15Å; K37-M357 HydrophobicContact CB-CE 4.01Å; K37-M357 HydrophobicContact CB-CG 4.06Å; K37-M357 HydrophobicContact CD-CB 4.43Å; K37-M357 HydrophobicContact CG-CB 4.47Å; K37-M357 HydrophobicContact CG-CE 3.83Å; S329-M357 CarbonylContact O-C 3.43Å; S329-M357 WeakPolarHBondContact O-CA 3.34Å; S329-M357 WeakPolarHBondContact O-CB 3.37Å; S329-M357 WeakPolarHBondContact O-CG 3.28Å; P330-M357 CarbonylContact C-O 3.59Å; P330-M357 WeakPolarHBondContact CA-O 3.1Å; P330-M357 WeakPolarHBondContact CD-SD 3.48Å; P330-M357 VanDerWaalsContact N-C 3.33Å; P330-M357 CarbonylContact O-C 3.5Å; P330-M357 WeakPolarHBondContact O-CB 3.09Å; P330-M357 VanDerWaalsContact O-O 3.07Å; R331-M357 WeakPolarHBondContact CA-O 3.42Å; R331-M357 WeakPolarHBondContact CB-O 3.38Å; R331-M357 PolarHBondContact N-O 3.19Å; M357-L364 HydrophobicContact CE-CD1 4.06Å; M357-L364 HydrophobicContact CE-CD2 3.88Å; M357-Y425 PolarHBondContact N-OH 3.37Å
358	P	52.2	Low	57.3	Low	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-82.5	-22.8	-162.9	-29.6	39.6	0	0	0	131.2	E327 V328 S329 R331 L356 T389 V448	E327-P358 WeakPolarHBondContact O-CD 3.32Å; E327-P358 VanDerWaalsContact O-CG 3.28Å; E327-P358 WeakPolarHBondContact O-CG 3.44Å; V328-P358 VanDerWaalsContact C-CD 3.45Å; S329-P358 VanDerWaalsContact C-N 3.3Å; S329-P358 WeakPolarHBondContact O-CD 3.41Å; R331-P358 VanDerWaalsContact CB-CA 3.49Å; R331-P358 WeakPolarHBondContact CB-O 3.39Å; L356-P358 WeakPolarHBondContact O-CD 3.43Å; P358-T389 HydrophobicContact CB-CG2 3.15Å; P358-T389 HydrophobicContact CG-CG2 4.07Å; P358-V448 HydrophobicContact CG-CG1 3.63Å
359	L	54.9	Low	60.3	Low	1 Å²	1	60.3 Å²	60.3	1%	0.005	29%	0.29	C	S	.	.	S	Bend	trans	-124.2	38.5	177.4	-44.4	177.2	0	0	0	122.1	P241 C265 P330 W383 R384 L387 T389	P241-L359 HydrophobicContact CB-CD1 4.42Å; C265-L359 HydrophobicContact CB-CD1 4.21Å; C265-L359 VanDerWaalsContact SG-CD1 3.52Å; P330-L359 VanDerWaalsContact C-N 3.27Å; P330-L359 VanDerWaalsContact CB-CA 3.48Å; P330-L359 HydrophobicContact CB-CB 3.86Å; L359-W383 CarbonylContact O-C 3.51Å; L359-W383 VanDerWaalsContact O-CA 3.22Å; L359-W383 WeakPolarHBondContact O-CA 3.3Å; L359-W383 WeakPolarHBondContact O-CB 3.36Å; L359-R384 HydrophobicContact CB-CB 4.39Å; L359-R384 PolarHBondContact O-N 3.48Å; L359-L387 HydrophobicContact CD2-CB 3.45Å; L359-L387 VanDerWaalsContact CD2-CB 3.45Å; L359-L387 WeakPolarHBondContact CD2-O 3.32Å; L359-T389 HydrophobicContact CD2-CG2 3.67Å; L359-T389 HydrophobicContact CG-CG2 4.32Å
360	L	69.8	Low	63.5	Low	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-150.9	126	-166.3	167.8	103.5	0	0	0	112.8	K37 P330 R331 S332 V381 S382 W383	K37-L360 PolarHBondContact NZ-O 2.87Å; P330-L360 HydrophobicContact CB-CB 3.27Å; P330-L360 VanDerWaalsContact CB-N 3.33Å; P330-L360 HydrophobicContact CG-CB 3.41Å; P330-L360 VanDerWaalsContact CG-CB 3.41Å; P330-L360 HydrophobicContact CG-CD2 4.17Å; P330-L360 HydrophobicContact CG-CG 4.3Å; R331-L360 CarbonylContact C-O 3.58Å; R331-L360 CarbonylContact O-C 3.38Å; R331-L360 PolarHBondContact O-N 3.08Å; S332-L360 PolarHBondContact N-O 3.41Å; L360-V381 HydrophobicContact CD1-CG1 3.37Å; L360-S382 WeakPolarHBondContact CA-O 3.29Å; L360-S382 VanDerWaalsContact CD1-O 3.22Å; L360-S382 WeakPolarHBondContact CD1-O 3.45Å; L360-W383 HydrophobicContact CB-CD2 4.24Å; L360-W383 HydrophobicContact CB-CE3 3.76Å; L360-W383 HydrophobicContact CB-CZ3 4.21Å; L360-W383 HydrophobicContact CD1-CD2 3.57Å; L360-W383 HydrophobicContact CD1-CE3 3.78Å; L360-W383 HydrophobicContact CD1-CG 4.21Å; L360-W383 HydrophobicContact CD1-CH2 3.93Å; L360-W383 HydrophobicContact CD1-CZ2 3.72Å; L360-W383 HydrophobicContact CD1-CZ3 4.03Å; L360-W383 HydrophobicContact CG-CE3 4.37Å
361	Q	74	Confident	66.7	Low	90 Å²	90	42.4 Å²	42.4	42%	0.421	21%	0.211	S	C	.	.			trans	-91	-37	-169.6	-62.5	163.7	-25.2	0	0	111.7	S382 R384	Q361-S382 PolarHBondContact N-O 3.11Å; Q361-R384 HydrophobicContact CG-CG 3.88Å
362	S	83.3	Confident	69.9	Low	20 Å²	20	35.7 Å²	35.7	14%	0.14	18%	0.175	C	C	.	.	S	Bend	trans	-55.8	152.7	176.6	-53.9	0	0	0	0	113.7	K37 V381 S382	K37-S362 VanDerWaalsContact CE-O 3.27Å; K37-S362 WeakPolarHBondContact CE-O 3.28Å; K37-S362 PolarHBondContact NZ-O 2.92Å; S362-V381 WeakPolarHBondContact OG-CA 3.49Å; S362-S382 PolarHBondContact OG-N 3.09Å; S362-S382 PolarHBondContact OG-OG 3.47Å
363	D	87.9	Confident	73.1	Confident	30 Å²	30	31.6 Å²	31.6	16%	0.16	16%	0.161	C	C	.	.			trans	-70.6	125.8	168.2	-168.9	-24.9	0	0	0	109.6	S41 Y365 E366 V367	S41-D363 WeakPolarHBondContact CA-OD2 3.34Å; S41-D363 VanDerWaalsContact CB-OD1 3.31Å; S41-D363 WeakPolarHBondContact CB-OD1 3.27Å; S41-D363 WeakPolarHBondContact CB-OD2 2.91Å; S41-D363 PolarHBondContact OG-OD1 3.43Å; S41-D363 PolarHBondContact OG-OD2 2.9Å; D363-Y365 VanDerWaalsContact C-N 3.29Å; D363-Y365 PolarHBondContact O-N 2.96Å; D363-Y365 WeakPolarHBondContact OD1-CB 3.41Å; D363-Y365 PolarHBondContact OD1-N 3.47Å; D363-E366 HydrophobicContact CB-CB 4.22Å; D363-E366 HydrophobicContact CB-CG 3.98Å; D363-V367 WeakPolarHBondContact O-CG2 3.3Å; D363-V367 PolarHBondContact O-N 2.66Å
364	L	90.8	Very high	76.2	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.4	-31.5	179.5	-177.9	69.2	0	0	0	111.8	I34 K37 L38 F231 M357 V367 M368	I34-L364 HydrophobicContact CG2-CD2 4.48Å; K37-L364 HydrophobicContact CB-CB 4.42Å; K37-L364 HydrophobicContact CB-CD2 3.78Å; K37-L364 HydrophobicContact CD-CB 4.36Å; K37-L364 HydrophobicContact CG-CB 3.4Å; K37-L364 VanDerWaalsContact CG-CB 3.4Å; K37-L364 HydrophobicContact CG-CD2 3.6Å; K37-L364 HydrophobicContact CG-CG 4.08Å; L38-L364 HydrophobicContact CD2-CD2 4.4Å; L38-L364 HydrophobicContact CG-CD2 4.26Å; F231-L364 HydrophobicContact CE1-CD1 4.13Å; F231-L364 HydrophobicContact CZ-CD1 3.76Å; M357-L364 HydrophobicContact CE-CD1 4.06Å; M357-L364 HydrophobicContact CE-CD2 3.88Å; L364-V367 PolarHBondContact O-N 2.89Å; L364-M368 HydrophobicContact CD1-CE 4.02Å; L364-M368 HydrophobicContact CD1-CG 4.28Å; L364-M368 HydrophobicContact CD2-CE 3.73Å; L364-M368 HydrophobicContact CD2-SD 4.3Å; L364-M368 HydrophobicContact CG-CE 3.83Å; L364-M368 HydrophobicContact CG-CG 4.17Å; L364-M368 HydrophobicContact CG-SD 4.03Å; L364-M368 WeakPolarHBondContact O-CB 3.45Å; L364-M368 VanDerWaalsContact O-CG 3.24Å; L364-M368 WeakPolarHBondContact O-CG 3.3Å; L364-M368 PolarHBondContact O-N 2.79Å
365	Y	93.2	Very high	79.4	Confident	5 Å²	5	22.9 Å²	22.9	2%	0.02	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-43.9	179.3	-179	-110.3	0	0	0	111	A20 V22 L38 Q43 V44 L104 D363 M368 Q369	A20-Y365 HydrophobicContact CB-CE1 3.96Å; A20-Y365 HydrophobicContact CB-CE2 4.13Å; A20-Y365 VanDerWaalsContact CB-CZ 3.44Å; A20-Y365 WeakPolarHBondContact CB-OH 3.15Å; V22-Y365 HydrophobicContact CG2-CD2 3.97Å; V22-Y365 HydrophobicContact CG2-CE2 3.8Å; L38-Y365 HydrophobicContact CD2-CD2 4.32Å; Q43-Y365 HydrophobicContact CB-CD1 3.74Å; Q43-Y365 HydrophobicContact CB-CE1 3.93Å; Q43-Y365 HydrophobicContact CG-CD1 4.44Å; V44-Y365 HydrophobicContact CG2-CD1 4.11Å; V44-Y365 HydrophobicContact CG2-CD2 3.64Å; V44-Y365 HydrophobicContact CG2-CE2 4.2Å; V44-Y365 HydrophobicContact CG2-CG 3.59Å; L104-Y365 HydrophobicContact CB-CE2 4.2Å; L104-Y365 HydrophobicContact CD2-CD2 4.16Å; L104-Y365 HydrophobicContact CD2-CE2 4.07Å; D363-Y365 VanDerWaalsContact C-N 3.29Å; D363-Y365 PolarHBondContact O-N 2.96Å; D363-Y365 WeakPolarHBondContact OD1-CB 3.41Å; D363-Y365 PolarHBondContact OD1-N 3.47Å; Y365-M368 PolarHBondContact O-N 2.87Å; Y365-Q369 HydrophobicContact CE1-CG 4.13Å; Y365-Q369 HydrophobicContact CE2-CG 4.29Å; Y365-Q369 WeakPolarHBondContact O-CB 3.42Å; Y365-Q369 WeakPolarHBondContact O-CG 3.39Å; Y365-Q369 PolarHBondContact O-N 3.29Å; Y365-Q369 PolarHBondContact OH-NE2 2.9Å
366	E	92	Very high	82.2	Confident	74 Å²	74	21.6 Å²	21.6	35%	0.346	12%	0.12	S	C	.	.	H	α-helix	trans	-61.7	-46.7	174.5	-67.5	176.9	176.9	0	0	111.7	Q43 D363 M368 Q369 S370	Q43-E366 VanDerWaalsContact NE2-CG 3.26Å; Q43-E366 PolarHBondContact NE2-OE1 3.35Å; D363-E366 HydrophobicContact CB-CB 4.22Å; D363-E366 HydrophobicContact CB-CG 3.98Å; E366-M368 PolarHBondContact O-N 3.43Å; E366-Q369 PolarHBondContact O-N 3.24Å; E366-S370 PolarHBondContact O-N 2.97Å; E366-S370 PolarHBondContact O-OG 2.88Å
367	V	92.1	Very high	84.6	Confident	5 Å²	5	26 Å²	26	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-39.2	177.8	176.1	0	0	0	0	111.8	F231 D363 L364 S370 C371 L376 V381	F231-V367 HydrophobicContact CB-CG1 4.27Å; F231-V367 HydrophobicContact CD1-CG1 3.75Å; F231-V367 HydrophobicContact CD2-CG1 3.65Å; F231-V367 HydrophobicContact CE1-CG1 3.91Å; F231-V367 HydrophobicContact CE2-CG1 3.81Å; F231-V367 HydrophobicContact CG-CG1 3.62Å; F231-V367 HydrophobicContact CZ-CG1 3.94Å; D363-V367 WeakPolarHBondContact O-CG2 3.3Å; D363-V367 PolarHBondContact O-N 2.66Å; L364-V367 PolarHBondContact O-N 2.89Å; V367-S370 PolarHBondContact O-OG 3.14Å; V367-S370 VanDerWaalsContact O-OG 3.07Å; V367-C371 PolarHBondContact O-N 3.08Å; V367-C371 PolarHBondContact O-SG 2.92Å; V367-L376 HydrophobicContact CG1-CD1 4.32Å; V367-V381 HydrophobicContact CG1-CG2 4.24Å; V367-V381 HydrophobicContact CG2-CG1 4.37Å; V367-V381 HydrophobicContact CG2-CG2 4.05Å
368	M	94.9	Very high	86.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-41.2	174.4	-73.4	-178.5	166.6	0	0	111.7	I34 L38 L104 V106 F129 F321 L364 Y365 E366 V372	I34-M368 HydrophobicContact CG2-CE 4.15Å; L38-M368 HydrophobicContact CD2-SD 4.15Å; L104-M368 HydrophobicContact CD2-CB 3.81Å; L104-M368 HydrophobicContact CD2-SD 4.28Å; V106-M368 HydrophobicContact CG1-CE 3.71Å; V106-M368 HydrophobicContact CG1-SD 4.15Å; V106-M368 HydrophobicContact CG2-CE 4.34Å; V106-M368 HydrophobicContact CG2-SD 3.66Å; F129-M368 HydrophobicContact CD1-CE 3.92Å; F129-M368 HydrophobicContact CD1-CG 4.2Å; F129-M368 HydrophobicContact CD1-SD 4.31Å; F129-M368 HydrophobicContact CD2-CB 3.63Å; F129-M368 HydrophobicContact CD2-CG 3.63Å; F129-M368 HydrophobicContact CE1-CE 3.87Å; F129-M368 HydrophobicContact CE1-CG 4.25Å; F129-M368 HydrophobicContact CE2-CB 4Å; F129-M368 HydrophobicContact CE2-CG 3.67Å; F129-M368 HydrophobicContact CG-CB 4.13Å; F129-M368 HydrophobicContact CG-CE 4.46Å; F129-M368 HydrophobicContact CG-CG 3.89Å; F129-M368 HydrophobicContact CG-SD 4.27Å; F129-M368 HydrophobicContact CZ-CE 4.36Å; F129-M368 HydrophobicContact CZ-CG 3.99Å; F321-M368 HydrophobicContact CE2-CE 4.1Å; L364-M368 HydrophobicContact CD1-CE 4.02Å; L364-M368 HydrophobicContact CD1-CG 4.28Å; L364-M368 HydrophobicContact CD2-CE 3.73Å; L364-M368 HydrophobicContact CD2-SD 4.3Å; L364-M368 HydrophobicContact CG-CE 3.83Å; L364-M368 HydrophobicContact CG-CG 4.17Å; L364-M368 HydrophobicContact CG-SD 4.03Å; L364-M368 WeakPolarHBondContact O-CB 3.45Å; L364-M368 VanDerWaalsContact O-CG 3.24Å; L364-M368 WeakPolarHBondContact O-CG 3.3Å; L364-M368 PolarHBondContact O-N 2.79Å; Y365-M368 PolarHBondContact O-N 2.87Å; E366-M368 PolarHBondContact O-N 3.43Å; M368-V372 WeakPolarHBondContact O-CG2 3.39Å; M368-V372 PolarHBondContact O-N 3.43Å; M368-V372 VanDerWaalsContact O-N 3.14Å
369	Q	94.3	Very high	87.6	Confident	50 Å²	50	35.8 Å²	35.8	23%	0.234	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-45.7	174.6	-82.7	-148	0.3	0	0	112	Y365 E366 C371 V372 N373	Y365-Q369 HydrophobicContact CE1-CG 4.13Å; Y365-Q369 HydrophobicContact CE2-CG 4.29Å; Y365-Q369 WeakPolarHBondContact O-CB 3.42Å; Y365-Q369 WeakPolarHBondContact O-CG 3.39Å; Y365-Q369 PolarHBondContact O-N 3.29Å; Y365-Q369 PolarHBondContact OH-NE2 2.9Å; E366-Q369 PolarHBondContact O-N 3.24Å; Q369-C371 VanDerWaalsContact C-N 3.34Å; Q369-C371 PolarHBondContact O-N 2.8Å; Q369-V372 PolarHBondContact O-N 3.44Å; Q369-V372 VanDerWaalsContact O-N 3.1Å; Q369-N373 VanDerWaalsContact O-CB 3.31Å; Q369-N373 WeakPolarHBondContact O-CB 3.41Å; Q369-N373 PolarHBondContact O-N 2.79Å; Q369-N373 PolarHBondContact O-ND2 3.36Å
370	S	94.4	Very high	88.6	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-37.4	-177.3	68.5	0	0	0	0	112.2	E366 V367 V372 N373 G374 N375 L376	E366-S370 PolarHBondContact O-N 2.97Å; E366-S370 PolarHBondContact O-OG 2.88Å; V367-S370 PolarHBondContact O-OG 3.14Å; V367-S370 VanDerWaalsContact O-OG 3.07Å; S370-V372 PolarHBondContact O-N 3.41Å; S370-N373 PolarHBondContact O-N 2.99Å; S370-G374 PolarHBondContact O-N 2.86Å; S370-N375 WeakPolarHBondContact CA-OD1 3.49Å; S370-N375 PolarHBondContact O-N 3.24Å; S370-N375 PolarHBondContact O-OD1 3.3Å; S370-L376 WeakPolarHBondContact OG-CD1 3.4Å
371	C	95.3	Very high	89.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-44.7	168.8	-66.5	0	0	0	0	112.5	F129 D233 K298 V367 Q369	F129-C371 HydrophobicContact CD2-CB 4.12Å; F129-C371 HydrophobicContact CE2-CB 3.78Å; D233-C371 WeakPolarHBondContact CA-O 3.26Å; K298-C371 WeakPolarHBondContact CD-O 3.38Å; K298-C371 WeakPolarHBondContact CE-O 3.42Å; V367-C371 PolarHBondContact O-N 3.08Å; V367-C371 PolarHBondContact O-SG 2.92Å; Q369-C371 VanDerWaalsContact C-N 3.34Å; Q369-C371 PolarHBondContact O-N 2.8Å
372	V	95.1	Very high	89.5	Confident	22 Å²	22	44.7 Å²	44.7	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-71.9	-41.7	180	174.1	0	0	0	0	111.7	L104 K127 C128 F129 K298 M368 Q369 S370	L104-V372 HydrophobicContact CD1-CG2 4.01Å; K127-V372 HydrophobicContact CB-CG1 4.02Å; K127-V372 HydrophobicContact CD-CG1 4.14Å; K127-V372 HydrophobicContact CG-CG1 4.08Å; C128-V372 WeakPolarHBondContact O-CG2 3.49Å; F129-V372 HydrophobicContact CB-CG2 4.2Å; F129-V372 HydrophobicContact CD2-CG2 4.36Å; K298-V372 PolarHBondContact NZ-O 3.05Å; M368-V372 WeakPolarHBondContact O-CG2 3.39Å; M368-V372 PolarHBondContact O-N 3.43Å; M368-V372 VanDerWaalsContact O-N 3.14Å; Q369-V372 PolarHBondContact O-N 3.44Å; Q369-V372 VanDerWaalsContact O-N 3.1Å; S370-V372 PolarHBondContact O-N 3.41Å
373	N	93.5	Very high	89.1	Confident	76 Å²	76	45.5 Å²	45.5	41%	0.406	23%	0.234	S	C	.	.	H	α-helix	trans	-73.7	-28.5	-175.9	-66.5	-25.1	0	0	0	112.6	K127 Q369 S370	K127-N373 PolarHBondContact NZ-OD1 2.95Å; Q369-N373 VanDerWaalsContact O-CB 3.31Å; Q369-N373 WeakPolarHBondContact O-CB 3.41Å; Q369-N373 PolarHBondContact O-N 2.79Å; Q369-N373 PolarHBondContact O-ND2 3.36Å; S370-N373 PolarHBondContact O-N 2.99Å
374	G	92.8	Very high	88.1	Confident	40 Å²	40	46.6 Å²	46.6	41%	0.412	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	23.6	-178.7	0	0	0	0	0	114.7	S370	S370-G374 PolarHBondContact O-N 2.86Å
375	N	93.2	Very high	87	Confident	38 Å²	38	55.4 Å²	55.4	20%	0.203	28%	0.276	C	S	.	.			trans	-138.8	39.8	-172.9	72.4	-34.7	0	0	0	113.3	S370 S377 E378 H379	S370-N375 WeakPolarHBondContact CA-OD1 3.49Å; S370-N375 PolarHBondContact O-N 3.24Å; S370-N375 PolarHBondContact O-OD1 3.3Å; N375-S377 PolarHBondContact O-N 2.86Å; N375-E378 HydrophobicContact CB-CG 4.19Å; N375-E378 WeakPolarHBondContact CB-OE2 3.18Å; N375-E378 PolarHBondContact ND2-OE2 3.35Å; N375-E378 WeakPolarHBondContact O-CB 3.23Å; N375-E378 PolarHBondContact O-N 2.88Å; N375-E378 VanDerWaalsContact O-N 3.16Å; N375-H379 PolarHBondContact O-ND1 3.03Å
376	L	91.3	Very high	85.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-64	-33	177.3	175.8	66.3	0	0	0	111.2	F231 D233 S236 E238 V367 S370 E378 H379 V381	F231-L376 HydrophobicContact CB-CD1 4.44Å; F231-L376 HydrophobicContact CB-CD2 3.91Å; F231-L376 WeakPolarHBondContact O-CD2 3.5Å; D233-L376 HydrophobicContact CB-CB 3.91Å; D233-L376 WeakPolarHBondContact OD2-CB 3.31Å; D233-L376 PolarHBondContact OD2-N 2.83Å; S236-L376 WeakPolarHBondContact OG-CB 3.17Å; E238-L376 HydrophobicContact CB-CD1 4.45Å; E238-L376 HydrophobicContact CB-CD2 4.12Å; E238-L376 HydrophobicContact CB-CG 4.43Å; E238-L376 HydrophobicContact CG-CD1 3.97Å; E238-L376 HydrophobicContact CG-CD2 3.91Å; E238-L376 HydrophobicContact CG-CG 3.77Å; V367-L376 HydrophobicContact CG1-CD1 4.32Å; S370-L376 WeakPolarHBondContact OG-CD1 3.4Å; L376-E378 PolarHBondContact O-N 3.24Å; L376-E378 VanDerWaalsContact O-N 3.09Å; L376-H379 PolarHBondContact O-N 2.73Å; L376-V381 HydrophobicContact CD1-CG2 4.15Å
377	S	88.5	Confident	85	Confident	93 Å²	93	60.9 Å²	60.9	65%	0.65	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.7	-14.8	174.6	58.2	0	0	0	0	115.1	N375	N375-S377 PolarHBondContact O-N 2.86Å
378	E	87.2	Confident	84.5	Confident	145 Å²	145	60.8 Å²	60.8	68%	0.678	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-88.7	-12.6	173.9	-59.2	177.7	167.9	0	0	112.2	N375 L376	N375-E378 HydrophobicContact CB-CG 4.19Å; N375-E378 WeakPolarHBondContact CB-OE2 3.18Å; N375-E378 PolarHBondContact ND2-OE2 3.35Å; N375-E378 WeakPolarHBondContact O-CB 3.23Å; N375-E378 PolarHBondContact O-N 2.88Å; N375-E378 VanDerWaalsContact O-N 3.16Å; L376-E378 PolarHBondContact O-N 3.24Å; L376-E378 VanDerWaalsContact O-N 3.09Å
379	H	80.9	Confident	84.2	Confident	62 Å²	62	60.8 Å²	60.8	29%	0.287	30%	0.302	S	S	.	.	S	Bend	trans	-113.7	103.6	-173.6	-73	69.6	0	0	0	111.1	N375 L376 V381	N375-H379 PolarHBondContact O-ND1 3.03Å; L376-H379 PolarHBondContact O-N 2.73Å; H379-V381 PolarHBondContact O-N 3.02Å; H379-V381 VanDerWaalsContact O-N 3.17Å
380	R	75.5	Confident	84	Confident	228 Å²	228	58.4 Å²	58.4	86%	0.86	29%	0.291	S	S	*	.			trans	-71.4	109.9	177.8	-171	-179.5	-175.6	-166.1	0.9	111.3
381	V	82.9	Confident	83.9	Confident	10 Å²	10	58.4 Å²	58.4	6%	0.061	29%	0.291	C	S	.	.			trans	-81.1	121.9	178.7	-167.9	0	0	0	0	110	E238 L360 S362 V367 L376 H379 W383	E238-V381 HydrophobicContact CB-CB 4.37Å; E238-V381 HydrophobicContact CB-CG2 3.87Å; E238-V381 HydrophobicContact CG-CG2 3.8Å; L360-V381 HydrophobicContact CD1-CG1 3.37Å; S362-V381 WeakPolarHBondContact OG-CA 3.49Å; V367-V381 HydrophobicContact CG1-CG2 4.24Å; V367-V381 HydrophobicContact CG2-CG1 4.37Å; V367-V381 HydrophobicContact CG2-CG2 4.05Å; L376-V381 HydrophobicContact CD1-CG2 4.15Å; H379-V381 PolarHBondContact O-N 3.02Å; H379-V381 VanDerWaalsContact O-N 3.17Å; V381-W383 HydrophobicContact CG1-CZ2 3.54Å
382	S	79.3	Confident	83.9	Confident	39 Å²	39	58.4 Å²	58.4	27%	0.273	29%	0.291	S	S	.	.			trans	-116.5	133.8	-171.3	55.7	0	0	0	0	113.6	L360 Q361 S362	L360-S382 WeakPolarHBondContact CA-O 3.29Å; L360-S382 VanDerWaalsContact CD1-O 3.22Å; L360-S382 WeakPolarHBondContact CD1-O 3.45Å; Q361-S382 PolarHBondContact N-O 3.11Å; S362-S382 PolarHBondContact OG-N 3.09Å; S362-S382 PolarHBondContact OG-OG 3.47Å
383	W	75	Confident	84	Confident	38 Å²	38	57.3 Å²	57.3	14%	0.144	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-124.3	144.1	-169.4	-49.5	82.3	0	0	0	111.5	F231 M240 P241 P330 L359 L360 V381 Q385	F231-W383 HydrophobicContact CD2-CZ2 4.34Å; F231-W383 AromaticContact CE2-CH2 3.94Å; F231-W383 HydrophobicContact CE2-CH2 3.94Å; F231-W383 HydrophobicContact CE2-CZ2 4.11Å; M240-W383 HydrophobicContact CB-CH2 3.47Å; M240-W383 VanDerWaalsContact CB-CH2 3.47Å; M240-W383 HydrophobicContact CB-CZ2 4.12Å; M240-W383 HydrophobicContact CB-CZ3 3.8Å; M240-W383 HydrophobicContact CG-CH2 3.42Å; M240-W383 VanDerWaalsContact CG-CH2 3.42Å; M240-W383 HydrophobicContact CG-CZ2 4.01Å; M240-W383 HydrophobicContact CG-CZ3 4.2Å; M240-W383 HydrophobicContact SD-CH2 4Å; P241-W383 VanDerWaalsContact CD-CD2 3.44Å; P241-W383 HydrophobicContact CG-CB 4.21Å; P241-W383 HydrophobicContact CG-CD2 3.95Å; P241-W383 HydrophobicContact CG-CE3 3.58Å; P241-W383 HydrophobicContact CG-CG 4.19Å; P241-W383 HydrophobicContact CG-CZ3 4.19Å; P330-W383 HydrophobicContact CB-CE3 3.86Å; P330-W383 HydrophobicContact CB-CZ3 3.86Å; P330-W383 HydrophobicContact CG-CE3 3.61Å; P330-W383 HydrophobicContact CG-CH2 3.99Å; P330-W383 HydrophobicContact CG-CZ3 3.1Å; L359-W383 CarbonylContact O-C 3.51Å; L359-W383 VanDerWaalsContact O-CA 3.22Å; L359-W383 WeakPolarHBondContact O-CA 3.3Å; L359-W383 WeakPolarHBondContact O-CB 3.36Å; L360-W383 HydrophobicContact CB-CD2 4.24Å; L360-W383 HydrophobicContact CB-CE3 3.76Å; L360-W383 HydrophobicContact CB-CZ3 4.21Å; L360-W383 HydrophobicContact CD1-CD2 3.57Å; L360-W383 HydrophobicContact CD1-CE3 3.78Å; L360-W383 HydrophobicContact CD1-CG 4.21Å; L360-W383 HydrophobicContact CD1-CH2 3.93Å; L360-W383 HydrophobicContact CD1-CZ2 3.72Å; L360-W383 HydrophobicContact CD1-CZ3 4.03Å; L360-W383 HydrophobicContact CG-CE3 4.37Å; V381-W383 HydrophobicContact CG1-CZ2 3.54Å; W383-Q385 PolarHBondContact O-N 2.99Å
384	R	67.2	Low	84.1	Confident	52 Å²	52	53.7 Å²	53.7	20%	0.196	27%	0.265	C	S	.	.			trans	-74.1	112.7	173.7	-64.4	-172.7	169.3	-100.4	-30.2	109.3	R331 Y333 L359 Q361	R331-R384 VanDerWaalsContact O-CD 3.24Å; R331-R384 WeakPolarHBondContact O-CD 3.5Å; R331-R384 PolarHBondContact O-NE 2.93Å; Y333-R384 VanDerWaalsContact CB-CZ 3.44Å; Y333-R384 PolarHBondContact O-NH2 3.02Å; L359-R384 HydrophobicContact CB-CB 4.39Å; L359-R384 PolarHBondContact O-N 3.48Å; Q361-R384 HydrophobicContact CG-CG 3.88Å
385	Q	68.4	Low	84.3	Confident	185 Å²	185	51.8 Å²	51.8	86%	0.864	25%	0.246	S	C	*	.	S	Bend	trans	-85.5	-17.5	-179.6	-62.4	-174.5	-18.5	0	0	113.2	W383	W383-Q385 PolarHBondContact O-N 2.99Å
386	E	67.5	Low	84.4	Confident	162 Å²	162	50 Å²	50	76%	0.757	24%	0.236	S	C	*	.	S	Bend	trans	-92.6	-1.6	-173.3	-61.5	174.8	-177.4	0	0	114.5	I452	E386-I452 WeakPolarHBondContact O-CA 3.23Å
387	L	74.6	Confident	84.4	Confident	32 Å²	32	55.8 Å²	55.8	17%	0.168	26%	0.263	C	S	.	.			trans	-114	142.9	-178.2	-69.2	-178.7	0	0	0	111.3	P266 L359 I452	P266-L387 WeakPolarHBondContact CD-O 3.33Å; L359-L387 HydrophobicContact CD2-CB 3.45Å; L359-L387 VanDerWaalsContact CD2-CB 3.45Å; L359-L387 WeakPolarHBondContact CD2-O 3.32Å; L387-I452 HydrophobicContact CD2-CG2 4.23Å
388	Y	82	Confident	84.4	Confident	3 Å²	3	53 Å²	53	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.6	166.9	-171.2	-80.3	0	0	0	109.2	T264 C265 P266 G451 P454 A457 T483	T264-Y388 WeakPolarHBondContact CB-OH 3.13Å; T264-Y388 HydrophobicContact CG2-CE1 4.05Å; T264-Y388 WeakPolarHBondContact CG2-OH 3.48Å; C265-Y388 CarbonylContact O-C 3.56Å; C265-Y388 WeakPolarHBondContact O-CA 3.47Å; P266-Y388 VanDerWaalsContact O-CE2 3.29Å; P266-Y388 WeakPolarHBondContact O-CE2 3.44Å; Y388-G451 PolarHBondContact N-O 3.26Å; Y388-G451 PolarHBondContact O-N 2.81Å; Y388-P454 VanDerWaalsContact CD1-CA 3.48Å; Y388-P454 HydrophobicContact CD1-CB 3.88Å; Y388-P454 HydrophobicContact CD1-CG 4.03Å; Y388-P454 HydrophobicContact CD2-CB 4.42Å; Y388-P454 HydrophobicContact CD2-CG 3.73Å; Y388-P454 HydrophobicContact CE1-CB 3.74Å; Y388-P454 HydrophobicContact CE1-CG 4.11Å; Y388-P454 HydrophobicContact CE2-CB 4.29Å; Y388-P454 HydrophobicContact CE2-CG 3.81Å; Y388-P454 HydrophobicContact CG-CB 4.2Å; Y388-P454 HydrophobicContact CG-CG 3.82Å; Y388-A457 HydrophobicContact CD1-CB 3.87Å; Y388-A457 VanDerWaalsContact O-CB 3.3Å; Y388-A457 WeakPolarHBondContact O-CB 3.36Å; Y388-T483 HydrophobicContact CE2-CG2 3.96Å; Y388-T483 WeakPolarHBondContact OH-CB 3.37Å; Y388-T483 WeakPolarHBondContact OH-CG2 3.4Å; Y388-T483 PolarHBondContact OH-OG1 3.46Å
389	T	88.2	Confident	84.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.7	-170.3	56.4	0	0	0	0	111.4	T264 C265 V328 P358 L359 G449	T264-T389 WeakPolarHBondContact CA-O 3.23Å; C265-T389 PolarHBondContact N-O 3.44Å; C265-T389 PolarHBondContact O-N 2.69Å; C265-T389 PolarHBondContact O-OG1 2.94Å; V328-T389 PolarHBondContact O-OG1 3.49Å; V328-T389 VanDerWaalsContact O-OG1 3.13Å; P358-T389 HydrophobicContact CB-CG2 3.15Å; P358-T389 HydrophobicContact CG-CG2 4.07Å; L359-T389 HydrophobicContact CD2-CG2 3.67Å; L359-T389 HydrophobicContact CG-CG2 4.32Å; T389-G449 VanDerWaalsContact CA-O 3.31Å; T389-G449 WeakPolarHBondContact CA-O 3.19Å
390	L	91	Very high	84.6	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	118.3	-171.8	-174.2	150.8	0	0	0	109.8	S263 T264 V392 V448 G449 A457 K458 A461 Y462 I479	S263-L390 WeakPolarHBondContact O-CA 3.33Å; T264-L390 HydrophobicContact CG2-CB 4.03Å; T264-L390 HydrophobicContact CG2-CD1 3.74Å; T264-L390 HydrophobicContact CG2-CG 3.68Å; L390-V392 HydrophobicContact CD2-CG2 3.52Å; L390-V448 CarbonylContact O-C 3.53Å; L390-V448 WeakPolarHBondContact O-CA 3.35Å; L390-G449 PolarHBondContact N-O 3.17Å; L390-G449 PolarHBondContact O-N 3.45Å; L390-A457 HydrophobicContact CB-CB 4.19Å; L390-K458 HydrophobicContact CD1-CB 3.91Å; L390-K458 HydrophobicContact CD1-CG 4.14Å; L390-A461 HydrophobicContact CD2-CB 3.68Å; L390-Y462 HydrophobicContact CD2-CE2 4.26Å; L390-I479 HydrophobicContact CD1-CG2 4.29Å; L390-I479 HydrophobicContact CD2-CB 4.27Å; L390-I479 HydrophobicContact CD2-CG2 3.98Å; L390-I479 HydrophobicContact CG-CG2 3.92Å
391	G	92.7	Very high	85	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.2	177.1	0	0	0	0	0	112	G262 S263 V447	G262-G391 CarbonylContact C-O 3.52Å; G262-G391 WeakPolarHBondContact CA-O 3.37Å; S263-G391 PolarHBondContact N-O 3.44Å; S263-G391 PolarHBondContact O-N 2.86Å; G391-V447 CarbonylContact C-O 3.49Å; G391-V447 WeakPolarHBondContact CA-O 3.39Å
392	V	95.1	Very high	85.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.6	175.6	-176.6	0	0	0	0	109.1	L390 C446 V447 A461 Y462 V465 F475 I479	L390-V392 HydrophobicContact CD2-CG2 3.52Å; V392-C446 CarbonylContact O-C 3.53Å; V392-C446 WeakPolarHBondContact O-CA 3.22Å; V392-V447 PolarHBondContact N-O 3.45Å; V392-V447 PolarHBondContact O-N 2.9Å; V392-A461 HydrophobicContact CG2-CB 4.05Å; V392-Y462 HydrophobicContact CG1-CE1 4.05Å; V392-Y462 HydrophobicContact CG2-CD1 4.42Å; V392-Y462 HydrophobicContact CG2-CE1 3.88Å; V392-Y462 HydrophobicContact CG2-CE2 4.07Å; V392-V465 HydrophobicContact CB-CG2 4.06Å; V392-V465 HydrophobicContact CG1-CG2 4.12Å; V392-F475 HydrophobicContact CG1-CB 3.92Å; V392-F475 HydrophobicContact CG1-CD2 4.22Å; V392-F475 HydrophobicContact CG1-CG 4.38Å; V392-I479 HydrophobicContact CG2-CG1 4.49Å
393	V	96.6	Very high	85.6	Confident	0 Å²	0	56 Å²	56	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.9	176.8	176.1	0	0	0	0	110.4	M261 P324 R443 L445 C446 F475	M261-V393 WeakPolarHBondContact O-CB 3.1Å; M261-V393 PolarHBondContact O-N 3.02Å; P324-V393 HydrophobicContact CB-CG2 3.84Å; P324-V393 HydrophobicContact CG-CG2 3.92Å; V393-R443 HydrophobicContact CG1-CB 3.83Å; V393-R443 HydrophobicContact CG1-CG 3.69Å; V393-L445 CarbonylContact C-O 3.11Å; V393-L445 WeakPolarHBondContact CA-O 3.44Å; V393-C446 HydrophobicContact CG2-CB 4.32Å; V393-F475 WeakPolarHBondContact O-CB 3.49Å
394	M	97	Very high	86.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.1	169.1	-56.1	178.5	77	0	0	108.9	V444 L445 V447 V465 I468 F470 C473 F475	M394-V444 PolarHBondContact O-N 3.13Å; M394-L445 HydrophobicContact CB-CB 4.34Å; M394-L445 PolarHBondContact N-O 2.99Å; M394-L445 PolarHBondContact O-N 3.23Å; M394-L445 HydrophobicContact SD-CD1 4.18Å; M394-V447 HydrophobicContact CG-CG2 4.47Å; M394-V447 HydrophobicContact SD-CG2 3.8Å; M394-V465 HydrophobicContact CE-CG1 4.03Å; M394-V465 HydrophobicContact CG-CG1 4.42Å; M394-V465 HydrophobicContact CG-CG2 4.46Å; M394-V465 HydrophobicContact SD-CG1 4.16Å; M394-V465 HydrophobicContact SD-CG2 4.24Å; M394-I468 HydrophobicContact CE-CB 3.88Å; M394-I468 HydrophobicContact CE-CG2 3.94Å; M394-I468 WeakPolarHBondContact CE-O 3.44Å; M394-I468 HydrophobicContact SD-CB 4.13Å; M394-I468 HydrophobicContact SD-CD1 4.33Å; M394-I468 HydrophobicContact SD-CG2 4.14Å; M394-F470 HydrophobicContact CB-CE1 4.13Å; M394-F470 HydrophobicContact CB-CZ 4.18Å; M394-F470 HydrophobicContact CE-CE1 4.41Å; M394-C473 WeakPolarHBondContact CE-SG 3.49Å; M394-F475 HydrophobicContact CE-CD1 4.4Å; M394-F475 HydrophobicContact CG-CB 4.47Å; M394-F475 HydrophobicContact CG-CD1 4.48Å
395	A	95.8	Very high	87.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153	-169.9	0	0	0	0	0	112.7	M261 Y399 G442 F474	M261-A395 HydrophobicContact CE-CB 4.2Å; A395-Y399 HydrophobicContact CB-CD1 3.85Å; A395-Y399 HydrophobicContact CB-CG 4.34Å; A395-G442 CarbonylContact C-O 2.71Å; A395-G442 VanDerWaalsContact CA-O 3.25Å; A395-G442 WeakPolarHBondContact CA-O 3.27Å; A395-G442 WeakPolarHBondContact CB-O 3.5Å; A395-F474 HydrophobicContact CB-CD1 4.32Å; A395-F474 HydrophobicContact CB-CE1 3.76Å; A395-F474 HydrophobicContact CB-CE2 4.01Å; A395-F474 HydrophobicContact CB-CZ 3.58Å; A395-F474 PolarHBondContact N-O 2.81Å; A395-F474 WeakPolarHBondContact O-CD1 3.31Å; A395-F474 PolarHBondContact O-N 3.2Å
396	S	95.5	Very high	88.7	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.1	176.4	-59.1	0	0	0	0	111.1	G398 Y399 G441 G442 V444 F474	S396-G398 PolarHBondContact O-N 3.09Å; S396-Y399 VanDerWaalsContact O-CB 3.24Å; S396-Y399 WeakPolarHBondContact O-CB 3.26Å; S396-Y399 PolarHBondContact O-N 3.28Å; S396-G441 PolarHBondContact OG-O 2.89Å; S396-G442 PolarHBondContact N-O 3.4Å; S396-V444 WeakPolarHBondContact OG-CG2 3.48Å; S396-F474 WeakPolarHBondContact O-CE1 3.3Å
397	E	92	Very high	90.1	Very high	121 Å²	121	48.1 Å²	48.1	57%	0.565	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-40.8	130.3	177	-172.8	-174.9	-168.4	0	0	112.6	Y403 G472	E397-Y403 WeakPolarHBondContact O-CA 3.38Å; E397-Y403 WeakPolarHBondContact O-CB 3.48Å; E397-G472 WeakPolarHBondContact CA-O 3.44Å; E397-G472 WeakPolarHBondContact CB-O 3.43Å; E397-G472 PolarHBondContact N-O 2.94Å
398	G	87.1	Confident	91.1	Very high	35 Å²	35	49.2 Å²	49.2	36%	0.361	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-8.7	-178.6	0	0	0	0	0	115.1	S396 R401 K402	S396-G398 PolarHBondContact O-N 3.09Å; G398-R401 CarbonylContact O-C 2.85Å; G398-R401 VanDerWaalsContact O-CA 3.27Å; G398-R401 WeakPolarHBondContact O-CA 3.41Å; G398-R401 WeakPolarHBondContact O-CB 3.38Å; G398-R401 PolarHBondContact O-N 3.39Å; G398-K402 WeakPolarHBondContact CA-O 3.32Å
399	Y	89.1	Confident	91.8	Very high	27 Å²	27	49.9 Å²	49.9	11%	0.106	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	136.1	165	177.7	-105.7	0	0	0	110.6	L249 T258 G259 M261 A395 S396 R443 F474	L249-Y399 HydrophobicContact CD1-CD1 4.12Å; T258-Y399 HydrophobicContact CG2-CD1 4.47Å; T258-Y399 HydrophobicContact CG2-CE1 3.86Å; G259-Y399 PolarHBondContact N-OH 3.33Å; M261-Y399 HydrophobicContact SD-CD1 4.15Å; M261-Y399 HydrophobicContact SD-CE1 3.75Å; A395-Y399 HydrophobicContact CB-CD1 3.85Å; A395-Y399 HydrophobicContact CB-CG 4.34Å; S396-Y399 VanDerWaalsContact O-CB 3.24Å; S396-Y399 WeakPolarHBondContact O-CB 3.26Å; S396-Y399 PolarHBondContact O-N 3.28Å; Y399-R443 HydrophobicContact CE1-CG 4.03Å; Y399-R443 HydrophobicContact CE2-CG 4.06Å; Y399-R443 WeakPolarHBondContact OH-CG 3.49Å; Y399-F474 HydrophobicContact CD1-CZ 4.19Å
400	P	83.2	Confident	92.1	Very high	15 Å²	15	56.4 Å²	56.4	10%	0.097	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.6	12.7	9.4	38.4	-37.7	0	0	0	115.6	K184 P256 T258	K184-P400 PolarHBondContact NZ-O 3.36Å; P256-P400 HydrophobicContact CB-CG 4.17Å; P256-P400 HydrophobicContact CG-CG 3.88Å; T258-P400 HydrophobicContact CG2-CB 4.35Å; T258-P400 HydrophobicContact CG2-CG 4.23Å
401	R	84.8	Confident	92.1	Very high	212 Å²	212	56.9 Å²	56.9	80%	0.8	28%	0.276	S	S	*	.	S	Bend	trans	-89.7	-132.2	177.6	-60	-178.4	174.8	179.8	-0.7	110.3	G398 Y403	G398-R401 CarbonylContact O-C 2.85Å; G398-R401 VanDerWaalsContact O-CA 3.27Å; G398-R401 WeakPolarHBondContact O-CA 3.41Å; G398-R401 WeakPolarHBondContact O-CB 3.38Å; G398-R401 PolarHBondContact O-N 3.39Å; R401-Y403 WeakPolarHBondContact O-CD1 3.38Å
402	K	85.7	Confident	91.9	Very high	196 Å²	196	57.8 Å²	57.8	85%	0.852	28%	0.281	S	S	*	.	S	Bend	trans	-87.7	122.8	176.8	-175.4	-178.4	-179.8	-175.3	0	108.6	G398	G398-K402 WeakPolarHBondContact CA-O 3.32Å
403	Y	89.5	Confident	91.2	Very high	96 Å²	96	62.4 Å²	62.4	38%	0.376	31%	0.309	S	S	.	.			trans	-118.7	164.5	177.5	50.6	-91.7	0	0	0	110.7	E397 R401 T405 G442	E397-Y403 WeakPolarHBondContact O-CA 3.38Å; E397-Y403 WeakPolarHBondContact O-CB 3.48Å; R401-Y403 WeakPolarHBondContact O-CD1 3.38Å; Y403-T405 HydrophobicContact CD2-CG2 3.94Å; Y403-T405 HydrophobicContact CE2-CG2 3.87Å; Y403-G442 PolarHBondContact OH-N 3.16Å
404	R	89.8	Confident	90.4	Very high	139 Å²	139	68 Å²	68	53%	0.525	34%	0.335	S	S	.	.			trans	-93.3	158	172	-71.1	168.9	70.8	-151.3	-4.8	110.2	F407 E471	R404-F407 HydrophobicContact CB-CE2 3.53Å; R404-F407 HydrophobicContact CB-CZ 3.56Å; R404-F407 HydrophobicContact CG-CZ 4.38Å; R404-F407 VanDerWaalsContact NH2-CE1 3.3Å; R404-E471 IonicContact CZ-OE1 2.72Å; R404-E471 IonicContact NH1-OE1 2.68Å; R404-E471 PolarHBondContact NH1-OE1 2.72Å; R404-E471 IonicContact NH2-OE1 2.71Å; R404-E471 PolarHBondContact NH2-OE1 2.78Å
405	T	93.1	Very high	89.4	Confident	72 Å²	72	68.1 Å²	68.1	44%	0.442	34%	0.337	S	S	.	.			trans	-138.9	167.5	176.4	55.4	0	0	0	0	109.6	Y403 T439	Y403-T405 HydrophobicContact CD2-CG2 3.94Å; Y403-T405 HydrophobicContact CE2-CG2 3.87Å; T405-T439 WeakPolarHBondContact CA-OG1 3.28Å; T405-T439 WeakPolarHBondContact CB-O 3.34Å
406	G	93	Very high	88.1	Confident	44 Å²	44	72.1 Å²	72.1	45%	0.454	36%	0.358	S	S	.	.			trans	95.6	7.1	178.5	0	0	0	0	0	115	T439	G406-T439 PolarHBondContact N-O 3.38Å; G406-T439 PolarHBondContact N-OG1 3.45Å
407	F	95.7	Very high	86.4	Confident	18 Å²	18	76.8 Å²	76.8	8%	0.079	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-82.1	131.6	179.1	-54.3	-59.4	0	0	0	111.7	R404 I409 V438 T439 E471	R404-F407 HydrophobicContact CB-CE2 3.53Å; R404-F407 HydrophobicContact CB-CZ 3.56Å; R404-F407 HydrophobicContact CG-CZ 4.38Å; R404-F407 VanDerWaalsContact NH2-CE1 3.3Å; F407-I409 PolarHBondContact O-N 3.42Å; F407-V438 CarbonylContact O-C 3.55Å; F407-V438 WeakPolarHBondContact O-CA 3.44Å; F407-V438 WeakPolarHBondContact O-CB 2.99Å; F407-T439 HydrophobicContact CB-CG2 4.12Å; F407-T439 HydrophobicContact CD2-CG2 4.39Å; F407-T439 WeakPolarHBondContact CD2-OG1 3.44Å; F407-T439 PolarHBondContact N-OG1 3.05Å; F407-T439 VanDerWaalsContact N-OG1 3.08Å; F407-T439 PolarHBondContact O-N 3.47Å; F407-E471 HydrophobicContact CB-CB 4.23Å; F407-E471 HydrophobicContact CD1-CB 3.68Å; F407-E471 HydrophobicContact CD1-CG 4.16Å; F407-E471 HydrophobicContact CD2-CB 4.13Å; F407-E471 VanDerWaalsContact CD2-O 3.27Å; F407-E471 WeakPolarHBondContact CD2-O 3.41Å; F407-E471 HydrophobicContact CE1-CB 3.89Å; F407-E471 HydrophobicContact CE1-CG 3.84Å; F407-E471 WeakPolarHBondContact CE1-OE1 3.27Å; F407-E471 WeakPolarHBondContact CE1-OE2 3.4Å; F407-E471 HydrophobicContact CE2-CB 4.33Å; F407-E471 HydrophobicContact CE2-CG 4.5Å; F407-E471 WeakPolarHBondContact CE2-O 3.41Å; F407-E471 HydrophobicContact CG-CB 3.78Å; F407-E471 HydrophobicContact CZ-CB 4.19Å; F407-E471 HydrophobicContact CZ-CG 4Å; F407-E471 WeakPolarHBondContact CZ-OE1 3.49Å
408	P	95.7	Very high	84.3	Confident	54 Å²	54	73.9 Å²	73.9	35%	0.351	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-57.7	135.7	171.4	-24.4	34.9	0	0	0	112.1	I437	P408-I437 WeakPolarHBondContact CA-O 3Å
409	I	96.6	Very high	82.7	Confident	17 Å²	17	72.9 Å²	72.9	9%	0.087	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-96.5	126	173.6	-53	179.4	0	0	0	108.2	F407 L412 T429 I437 T439 V444 L445 I468 F470	F407-I409 PolarHBondContact O-N 3.42Å; I409-L412 HydrophobicContact CB-CD1 4.16Å; I409-L412 HydrophobicContact CG2-CD1 3.86Å; I409-L412 HydrophobicContact CG2-CD2 4.13Å; I409-L412 HydrophobicContact CG2-CG 3.84Å; I409-T429 HydrophobicContact CD1-CG2 3.68Å; I409-I437 HydrophobicContact CD1-CG2 4.15Å; I409-I437 PolarHBondContact N-O 2.76Å; I409-T439 HydrophobicContact CD1-CG2 4.36Å; I409-T439 HydrophobicContact CG1-CG2 4.15Å; I409-V444 HydrophobicContact CD1-CG1 3.43Å; I409-V444 VanDerWaalsContact CD1-CG1 3.43Å; I409-V444 HydrophobicContact CG1-CG1 4.45Å; I409-L445 HydrophobicContact CD1-CD2 4.45Å; I409-L445 HydrophobicContact CG2-CD1 4.31Å; I409-I468 HydrophobicContact CG2-CG2 3.87Å; I409-F470 HydrophobicContact CG1-CB 4.26Å; I409-F470 HydrophobicContact CG1-CD1 4.29Å; I409-F470 HydrophobicContact CG1-CG 4.49Å; I409-F470 HydrophobicContact CG2-CD1 4.22Å
410	K	94.5	Very high	81.5	Confident	138 Å²	138	76.9 Å²	76.9	60%	0.6	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-106.3	160.8	178.1	-57.1	177.4	-170.8	169.7	0	110.1	L412 I468 D469	K410-L412 VanDerWaalsContact C-N 3.35Å; K410-L412 PolarHBondContact O-N 3.1Å; K410-I468 WeakPolarHBondContact O-CA 3.39Å; K410-D469 PolarHBondContact N-O 3.03Å; K410-D469 PolarHBondContact O-N 3.33Å; K410-D469 VanDerWaalsContact O-N 3.11Å
411	G	90.6	Very high	80.8	Confident	10 Å²	10	76.7 Å²	76.7	10%	0.103	40%	0.404	C	S	.	.	S	Bend	trans	83.8	2.2	172.1	0	0	0	0	0	116	E414 A415 C467	G411-E414 VanDerWaalsContact C-OE2 3.24Å; G411-E414 WeakPolarHBondContact CA-OE2 3.43Å; G411-A415 VanDerWaalsContact O-CB 3.26Å; G411-A415 WeakPolarHBondContact O-CB 3.41Å; G411-A415 PolarHBondContact O-N 3.22Å; G411-C467 VanDerWaalsContact CA-O 3.26Å; G411-C467 WeakPolarHBondContact CA-O 3.45Å
412	L	88.5	Confident	80.6	Confident	19 Å²	19	67 Å²	67	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-67.8	-39.5	-178.1	-69.9	173.4	0	0	0	112.1	I409 K410 A415 D416 V424 I437 L445 I468	I409-L412 HydrophobicContact CB-CD1 4.16Å; I409-L412 HydrophobicContact CG2-CD1 3.86Å; I409-L412 HydrophobicContact CG2-CD2 4.13Å; I409-L412 HydrophobicContact CG2-CG 3.84Å; K410-L412 VanDerWaalsContact C-N 3.35Å; K410-L412 PolarHBondContact O-N 3.1Å; L412-A415 PolarHBondContact O-N 2.98Å; L412-D416 PolarHBondContact O-N 3.47Å; L412-V424 HydrophobicContact CD2-CG1 3.93Å; L412-I437 HydrophobicContact CD1-CB 4.23Å; L412-I437 HydrophobicContact CD1-CD1 3.9Å; L412-I437 HydrophobicContact CD1-CG2 4.11Å; L412-L445 HydrophobicContact CD2-CD1 3.97Å; L412-I468 HydrophobicContact CD2-CD1 4.26Å; L412-I468 HydrophobicContact CD2-CG1 4.49Å; L412-I468 HydrophobicContact CD2-CG2 4.35Å
413	T	81.5	Confident	80.6	Confident	97 Å²	97	58.4 Å²	58.4	60%	0.595	33%	0.333	S	S	*	.	H	α-helix	trans	-68	-41.6	177.8	-54.8	0	0	0	0	111	A415 D416 D417	T413-A415 VanDerWaalsContact C-N 3.31Å; T413-A415 PolarHBondContact O-N 3.39Å; T413-D416 PolarHBondContact O-N 3.08Å; T413-D417 WeakPolarHBondContact O-CB 3.34Å; T413-D417 PolarHBondContact O-N 3.34Å
414	E	78.9	Confident	80.7	Confident	117 Å²	117	54.3 Å²	54.3	55%	0.547	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-34.6	175.7	-61.1	87.3	159.7	0	0	111.9	G411 G418	G411-E414 VanDerWaalsContact C-OE2 3.24Å; G411-E414 WeakPolarHBondContact CA-OE2 3.43Å; E414-G418 VanDerWaalsContact O-CA 3.28Å; E414-G418 WeakPolarHBondContact O-CA 3.21Å; E414-G418 PolarHBondContact O-N 2.97Å
415	A	77.2	Confident	80.8	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-69	-41.2	172.6	0	0	0	0	0	113	G411 L412 T413 V424 T464 C467 I468	G411-A415 VanDerWaalsContact O-CB 3.26Å; G411-A415 WeakPolarHBondContact O-CB 3.41Å; G411-A415 PolarHBondContact O-N 3.22Å; L412-A415 PolarHBondContact O-N 2.98Å; T413-A415 VanDerWaalsContact C-N 3.31Å; T413-A415 PolarHBondContact O-N 3.39Å; A415-V424 HydrophobicContact CB-CG2 3.96Å; A415-T464 HydrophobicContact CB-CG2 3.69Å; A415-C467 HydrophobicContact CB-CB 4.45Å; A415-I468 HydrophobicContact CB-CD1 3.78Å; A415-I468 HydrophobicContact CB-CG1 3.77Å
416	D	68.9	Low	80.9	Confident	84 Å²	84	44.8 Å²	44.8	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-71.6	-36.3	178.7	-76.1	-22.9	0	0	0	112.7	L412 T413	L412-D416 PolarHBondContact O-N 3.47Å; T413-D416 PolarHBondContact O-N 3.08Å
417	D	58.4	Low	81	Confident	97 Å²	97	42.9 Å²	42.9	52%	0.519	25%	0.254	S	S	.	.	H	α-helix	trans	-84.1	-23.9	176.7	-87.5	-35.6	0	0	0	113.6	K352 T413	K352-D417 IonicContact NZ-OD1 3.99Å; K352-D417 PolarHBondContact NZ-OD1 3.17Å; T413-D417 WeakPolarHBondContact O-CB 3.34Å; T413-D417 PolarHBondContact O-N 3.34Å
418	G	48.5	Very low	80.9	Confident	60 Å²	60	42.8 Å²	42.8	62%	0.619	26%	0.258	S	S	*	.	H	α-helix	trans	-86.6	-16.8	-164.2	0	0	0	0	0	117.4	E414	E414-G418 VanDerWaalsContact O-CA 3.28Å; E414-G418 WeakPolarHBondContact O-CA 3.21Å; E414-G418 PolarHBondContact O-N 2.97Å
419	A	53.8	Low	80.9	Confident	15 Å²	15	40.3 Å²	40.3	12%	0.124	24%	0.242	C	C	.	.			trans	-149	104	-173.3	0	0	0	0	0	114.4	G421 A422	A419-G421 PolarHBondContact O-N 3.38Å; A419-A422 HydrophobicContact CB-CB 3.96Å; A419-A422 PolarHBondContact O-N 2.9Å; A419-A422 VanDerWaalsContact O-N 3.12Å
420	P	62.9	Low	80.7	Confident	111 Å²	111	40.2 Å²	40.2	72%	0.721	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.8	173.7	25.6	-33.8	0	0	0	114.3	R331	R331-P420 PolarHBondContact NH2-O 3.46Å
421	G	68.6	Low	80.5	Confident	10 Å²	10	36.5 Å²	36.5	10%	0.103	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-4.5	176.1	0	0	0	0	0	116.1	A419 S450	A419-G421 PolarHBondContact O-N 3.38Å; G421-S450 PolarHBondContact O-N 3.31Å
422	A	80.9	Confident	80.4	Confident	9 Å²	9	38.3 Å²	38.3	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	164.8	-171.6	0	0	0	0	0	114.5	A419 V448 T464	A419-A422 HydrophobicContact CB-CB 3.96Å; A419-A422 PolarHBondContact O-N 2.9Å; A419-A422 VanDerWaalsContact O-N 3.12Å; A422-V448 CarbonylContact C-O 2.92Å; A422-V448 VanDerWaalsContact CA-O 3.28Å; A422-V448 WeakPolarHBondContact CA-O 3.39Å; A422-T464 HydrophobicContact CB-CG2 4.05Å; A422-T464 WeakPolarHBondContact CB-OG1 3.43Å
423	V	85.6	Confident	80.2	Confident	16 Å²	16	46 Å²	46	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	142.1	178.1	-156.3	0	0	0	0	110.6	V355 Y425 V447 V448	V355-V423 HydrophobicContact CB-CB 4.42Å; V355-V423 HydrophobicContact CB-CG1 4.15Å; V355-V423 HydrophobicContact CB-CG2 3.56Å; V355-V423 HydrophobicContact CG1-CG2 3.35Å; V355-V423 HydrophobicContact CG2-CG2 4.45Å; V355-V423 VanDerWaalsContact O-CG1 3.24Å; V355-V423 WeakPolarHBondContact O-CG1 3.4Å; V423-Y425 HydrophobicContact CB-CE2 4.01Å; V423-Y425 HydrophobicContact CG1-CE1 4.27Å; V423-Y425 HydrophobicContact CG1-CE2 3.92Å; V423-V447 CarbonylContact O-C 3.6Å; V423-V447 WeakPolarHBondContact O-CA 2.95Å; V423-V448 PolarHBondContact N-O 2.87Å; V423-V448 PolarHBondContact O-N 3.43Å
424	V	91.3	Very high	80.3	Confident	10 Å²	10	45.5 Å²	45.5	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	100.4	175.6	-173.1	0	0	0	0	111.3	L412 A415 H426 L445 V447 T464 I468	L412-V424 HydrophobicContact CD2-CG1 3.93Å; A415-V424 HydrophobicContact CB-CG2 3.96Å; V424-H426 PolarHBondContact O-N 3.29Å; V424-L445 HydrophobicContact CG1-CB 4.29Å; V424-L445 HydrophobicContact CG1-CD1 3.98Å; V424-L445 HydrophobicContact CG1-CD2 4.09Å; V424-L445 HydrophobicContact CG1-CG 4.35Å; V424-V447 HydrophobicContact CG1-CG2 4.44Å; V424-V447 HydrophobicContact CG2-CG2 4.44Å; V424-T464 HydrophobicContact CG2-CG2 4.06Å; V424-I468 HydrophobicContact CG1-CD1 4.05Å; V424-I468 HydrophobicContact CG2-CD1 3.8Å
425	Y	93	Very high	80.7	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	109.2	172.4	-68.6	-68.1	0	0	0	111.6	H32 E327 V355 L356 M357 V423 C427 L445 C446 V448	H32-Y425 HydrophobicContact CB-CD1 4.29Å; H32-Y425 AromaticContact ND1-CD1 3.86Å; E327-Y425 HydrophobicContact CB-CD2 3.71Å; E327-Y425 HydrophobicContact CB-CE2 4.18Å; E327-Y425 HydrophobicContact CB-CG 4.35Å; E327-Y425 HydrophobicContact CG-CD2 3.75Å; E327-Y425 HydrophobicContact CG-CG 3.86Å; V355-Y425 PolarHBondContact O-OH 3.32Å; L356-Y425 PolarHBondContact O-OH 3.47Å; M357-Y425 PolarHBondContact N-OH 3.37Å; V423-Y425 HydrophobicContact CB-CE2 4.01Å; V423-Y425 HydrophobicContact CG1-CE1 4.27Å; V423-Y425 HydrophobicContact CG1-CE2 3.92Å; Y425-C427 PolarHBondContact O-N 3.26Å; Y425-L445 CarbonylContact O-C 3.59Å; Y425-L445 VanDerWaalsContact O-CA 3.27Å; Y425-L445 WeakPolarHBondContact O-CA 3.33Å; Y425-C446 WeakPolarHBondContact CB-O 3.39Å; Y425-C446 PolarHBondContact N-O 3.21Å; Y425-C446 PolarHBondContact O-N 3.18Å; Y425-V448 HydrophobicContact CD2-CG2 3.77Å; Y425-V448 HydrophobicContact CE2-CB 4.33Å; Y425-V448 HydrophobicContact CE2-CG2 3.95Å
426	H	94.8	Very high	81.3	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.046	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	123	164.4	-70.6	-116.5	0	0	0	111.9	H32 N53 G55 V424 T429	H32-H426 AromaticContact CE1-CD2 3.92Å; H32-H426 PolarHBondContact ND1-N 2.99Å; N53-H426 PolarHBondContact ND2-O 3.33Å; G55-H426 PolarHBondContact N-ND1 2.81Å; V424-H426 PolarHBondContact O-N 3.29Å; H426-T429 HydrophobicContact CB-CG2 4.31Å; H426-T429 WeakPolarHBondContact CB-OG1 3.36Å; H426-T429 PolarHBondContact ND1-OG1 3.47Å
427	C	94.6	Very high	82.5	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.02	29%	0.289	C	S	.	.	S	Bend	trans	-101.5	-111.1	169	-49.9	0	0	0	0	108.4	N53 Y425 T429 R443 V444	N53-C427 PolarHBondContact ND2-O 2.79Å; N53-C427 VanDerWaalsContact ND2-O 3.14Å; Y425-C427 PolarHBondContact O-N 3.26Å; C427-T429 VanDerWaalsContact C-N 3.33Å; C427-T429 PolarHBondContact O-N 2.83Å; C427-R443 HydrophobicContact CB-CB 4.27Å; C427-R443 WeakPolarHBondContact CB-O 3.39Å; C427-V444 CarbonylContact C-O 3.54Å; C427-V444 WeakPolarHBondContact CA-O 3.32Å; C427-V444 WeakPolarHBondContact CB-O 3.27Å; C427-V444 PolarHBondContact N-O 3.43Å
428	G	94.4	Very high	84.3	Confident	16 Å²	16	40.3 Å²	40.3	17%	0.165	27%	0.267	C	S	.	.	S	Bend	trans	-73.4	80.5	173.7	0	0	0	0	0	112.3	N440 G441 R443 V444	G428-N440 CarbonylContact O-C 3.57Å; G428-N440 WeakPolarHBondContact O-CA 3.42Å; G428-N440 PolarHBondContact O-N 2.96Å; G428-G441 PolarHBondContact O-N 2.84Å; G428-R443 WeakPolarHBondContact CA-O 3.32Å; G428-R443 PolarHBondContact N-O 3.19Å; G428-V444 PolarHBondContact N-O 3.23Å
429	T	96	Very high	86.6	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.4	172.2	61.1	0	0	0	0	111.8	A54 I409 H426 C427 I437 V438 V444 L445	A54-T429 WeakPolarHBondContact CB-OG1 3.46Å; A54-T429 PolarHBondContact N-O 3.07Å; A54-T429 PolarHBondContact N-OG1 2.87Å; I409-T429 HydrophobicContact CD1-CG2 3.68Å; H426-T429 HydrophobicContact CB-CG2 4.31Å; H426-T429 WeakPolarHBondContact CB-OG1 3.36Å; H426-T429 PolarHBondContact ND1-OG1 3.47Å; C427-T429 VanDerWaalsContact C-N 3.33Å; C427-T429 PolarHBondContact O-N 2.83Å; T429-I437 HydrophobicContact CG2-CG2 4.44Å; T429-V438 CarbonylContact C-O 3.58Å; T429-V438 VanDerWaalsContact CA-O 3.3Å; T429-V438 WeakPolarHBondContact CA-O 3.49Å; T429-V444 HydrophobicContact CG2-CG1 3.89Å; T429-V444 WeakPolarHBondContact CG2-O 3.46Å; T429-L445 HydrophobicContact CG2-CD2 3.79Å
430	A	92.5	Very high	88.6	Confident	15 Å²	15	41.2 Å²	41.2	12%	0.124	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	173.1	172.6	0	0	0	0	0	110.3	I437 V438 N440	A430-I437 CarbonylContact O-C 3.53Å; A430-I437 WeakPolarHBondContact O-CA 3.25Å; A430-V438 HydrophobicContact CB-CG2 4.1Å; A430-V438 PolarHBondContact N-O 2.88Å; A430-V438 PolarHBondContact O-N 2.73Å; A430-N440 HydrophobicContact CB-CB 3.77Å
431	V	90	Very high	89.9	Confident	60 Å²	60	36.3 Å²	36.3	36%	0.364	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.1	167.5	-177.4	0	0	0	0	106.5	A54 Q436	A54-V431 HydrophobicContact CB-CG2 3.86Å; V431-Q436 WeakPolarHBondContact CA-O 3.31Å
432	N	89.3	Confident	91	Very high	48 Å²	48	36.1 Å²	36.1	26%	0.257	22%	0.223	S	C	.	.			trans	-84.9	174.9	178.1	73.7	9.1	0	0	0	111.8	S434 G435 Q436 V438	N432-S434 VanDerWaalsContact CG-OG 3.23Å; N432-S434 PolarHBondContact ND2-OG 2.91Å; N432-S434 VanDerWaalsContact ND2-OG 3.16Å; N432-S434 PolarHBondContact O-N 2.73Å; N432-S434 VanDerWaalsContact O-N 3.11Å; N432-S434 WeakPolarHBondContact OD1-CA 3.37Å; N432-S434 PolarHBondContact OD1-N 2.83Å; N432-S434 PolarHBondContact OD1-OG 3.32Å; N432-G435 PolarHBondContact O-N 3.26Å; N432-G435 PolarHBondContact OD1-N 3.23Å; N432-Q436 PolarHBondContact N-O 3.43Å; N432-Q436 PolarHBondContact ND2-OE1 3.49Å; N432-Q436 PolarHBondContact OD1-N 3.12Å; N432-Q436 PolarHBondContact OD1-O 3.19Å; N432-V438 HydrophobicContact CB-CG1 4Å; N432-V438 HydrophobicContact CB-CG2 4.27Å
433	D	84.4	Confident	91.7	Very high	181 Å²	181	37.6 Å²	37.6	97%	0.968	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19	-177.8	-57.1	-32.8	0	0	0	113.6
434	S	83.5	Confident	92.2	Very high	85 Å²	85	36.9 Å²	36.9	59%	0.594	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	6.4	173.2	60	0	0	0	0	114.4	N432 Q436	N432-S434 VanDerWaalsContact CG-OG 3.23Å; N432-S434 PolarHBondContact ND2-OG 2.91Å; N432-S434 VanDerWaalsContact ND2-OG 3.16Å; N432-S434 PolarHBondContact O-N 2.73Å; N432-S434 VanDerWaalsContact O-N 3.11Å; N432-S434 WeakPolarHBondContact OD1-CA 3.37Å; N432-S434 PolarHBondContact OD1-N 2.83Å; N432-S434 PolarHBondContact OD1-OG 3.32Å; S434-Q436 VanDerWaalsContact C-N 3.29Å; S434-Q436 PolarHBondContact O-N 3.28Å; S434-Q436 PolarHBondContact OG-OE1 3.47Å
435	G	86.1	Confident	92.5	Very high	55 Å²	55	36.4 Å²	36.4	57%	0.567	22%	0.219	S	C	*	.	S	Bend	trans	78.7	4.2	179.9	0	0	0	0	0	115.2	N432	N432-G435 PolarHBondContact O-N 3.26Å; N432-G435 PolarHBondContact OD1-N 3.23Å
436	Q	90.6	Very high	92.6	Very high	95 Å²	95	36.3 Å²	36.3	44%	0.444	22%	0.219	S	C	.	.			trans	-83.2	143.1	179.4	-58.6	177.9	-44.1	0	0	111.3	V431 N432 S434	V431-Q436 WeakPolarHBondContact CA-O 3.31Å; N432-Q436 PolarHBondContact N-O 3.43Å; N432-Q436 PolarHBondContact ND2-OE1 3.49Å; N432-Q436 PolarHBondContact OD1-N 3.12Å; N432-Q436 PolarHBondContact OD1-O 3.19Å; S434-Q436 VanDerWaalsContact C-N 3.29Å; S434-Q436 PolarHBondContact O-N 3.28Å; S434-Q436 PolarHBondContact OG-OE1 3.47Å
437	I	93.8	Very high	92.5	Very high	34 Å²	34	35.9 Å²	35.9	17%	0.174	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126.6	170.6	-56.2	-177.7	0	0	0	108.8	A54 L58 P408 I409 L412 T429 A430	A54-I437 HydrophobicContact CB-CD1 4.48Å; A54-I437 HydrophobicContact CB-CG1 4.35Å; A54-I437 HydrophobicContact CB-CG2 3.89Å; L58-I437 HydrophobicContact CD1-CD1 4.05Å; P408-I437 WeakPolarHBondContact CA-O 3Å; I409-I437 HydrophobicContact CD1-CG2 4.15Å; I409-I437 PolarHBondContact N-O 2.76Å; L412-I437 HydrophobicContact CD1-CB 4.23Å; L412-I437 HydrophobicContact CD1-CD1 3.9Å; L412-I437 HydrophobicContact CD1-CG2 4.11Å; T429-I437 HydrophobicContact CG2-CG2 4.44Å; A430-I437 CarbonylContact O-C 3.53Å; A430-I437 WeakPolarHBondContact O-CA 3.25Å
438	V	96.4	Very high	92.4	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.9	-176.7	-62.4	0	0	0	0	112.8	F407 T429 A430 N432	F407-V438 CarbonylContact O-C 3.55Å; F407-V438 WeakPolarHBondContact O-CA 3.44Å; F407-V438 WeakPolarHBondContact O-CB 2.99Å; T429-V438 CarbonylContact C-O 3.58Å; T429-V438 VanDerWaalsContact CA-O 3.3Å; T429-V438 WeakPolarHBondContact CA-O 3.49Å; A430-V438 HydrophobicContact CB-CG2 4.1Å; A430-V438 PolarHBondContact N-O 2.88Å; A430-V438 PolarHBondContact O-N 2.73Å; N432-V438 HydrophobicContact CB-CG1 4Å; N432-V438 HydrophobicContact CB-CG2 4.27Å
439	T	96.8	Very high	92	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	134.7	170.6	61.4	0	0	0	0	111.1	T405 G406 F407 I409 V444 F470	T405-T439 WeakPolarHBondContact CA-OG1 3.28Å; T405-T439 WeakPolarHBondContact CB-O 3.34Å; G406-T439 PolarHBondContact N-O 3.38Å; G406-T439 PolarHBondContact N-OG1 3.45Å; F407-T439 HydrophobicContact CB-CG2 4.12Å; F407-T439 HydrophobicContact CD2-CG2 4.39Å; F407-T439 WeakPolarHBondContact CD2-OG1 3.44Å; F407-T439 PolarHBondContact N-OG1 3.05Å; F407-T439 VanDerWaalsContact N-OG1 3.08Å; F407-T439 PolarHBondContact O-N 3.47Å; I409-T439 HydrophobicContact CD1-CG2 4.36Å; I409-T439 HydrophobicContact CG1-CG2 4.15Å; T439-V444 HydrophobicContact CG2-CG1 3.86Å; T439-V444 HydrophobicContact CG2-CG2 3.99Å; T439-F470 HydrophobicContact CG2-CB 4.14Å; T439-F470 HydrophobicContact CG2-CD1 4.49Å; T439-F470 HydrophobicContact CG2-CD2 3.52Å; T439-F470 HydrophobicContact CG2-CE2 3.98Å; T439-F470 HydrophobicContact CG2-CG 3.81Å
440	N	94.7	Very high	91.4	Very high	95 Å²	95	35.2 Å²	35.2	51%	0.508	21%	0.21	S	C	.	.			trans	-145.5	25.9	-179	-164.7	40.7	0	0	0	112.6	G428 A430	G428-N440 CarbonylContact O-C 3.57Å; G428-N440 WeakPolarHBondContact O-CA 3.42Å; G428-N440 PolarHBondContact O-N 2.96Å; A430-N440 HydrophobicContact CB-CB 3.77Å
441	G	90.8	Very high	90.5	Very high	8 Å²	8	35.1 Å²	35.1	8%	0.082	21%	0.21	C	C	.	.	S	Bend	trans	-173	172.7	178.5	0	0	0	0	0	112.9	S396 G428	S396-G441 PolarHBondContact OG-O 2.89Å; G428-G441 PolarHBondContact O-N 2.84Å
442	G	91.8	Very high	89.6	Confident	5 Å²	5	38.4 Å²	38.4	5%	0.052	22%	0.224	C	C	.	.	S	Bend	trans	-70.8	-44	-179.7	0	0	0	0	0	112.4	A395 S396 Y403	A395-G442 CarbonylContact C-O 2.71Å; A395-G442 VanDerWaalsContact CA-O 3.25Å; A395-G442 WeakPolarHBondContact CA-O 3.27Å; A395-G442 WeakPolarHBondContact CB-O 3.5Å; S396-G442 PolarHBondContact N-O 3.4Å; Y403-G442 PolarHBondContact OH-N 3.16Å
443	R	95	Very high	88.8	Confident	41 Å²	41	38.6 Å²	38.6	16%	0.155	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.3	161.6	-60.1	-168	-71.2	-157.8	-0.8	108.2	G259 G260 D323 V393 Y399 C427 G428	G259-R443 PolarHBondContact O-NH1 3.43Å; G260-R443 WeakPolarHBondContact O-CD 3.47Å; G260-R443 PolarHBondContact O-NH1 2.89Å; D323-R443 VanDerWaalsContact O-CZ 3.31Å; D323-R443 PolarHBondContact O-NH1 2.74Å; D323-R443 PolarHBondContact O-NH2 3.43Å; D323-R443 VanDerWaalsContact O-NH2 3.09Å; D323-R443 IonicContact OD1-CZ 3.02Å; D323-R443 IonicContact OD1-NE 2.73Å; D323-R443 IonicContact OD1-NH1 3.02Å; D323-R443 PolarHBondContact OD1-NH1 2.62Å; D323-R443 IonicContact OD1-NH2 3.48Å; D323-R443 PolarHBondContact OD1-NH2 2.81Å; D323-R443 IonicContact OD2-CZ 3.96Å; D323-R443 IonicContact OD2-NH2 3.11Å; D323-R443 PolarHBondContact OD2-NH2 3.13Å; V393-R443 HydrophobicContact CG1-CB 3.83Å; V393-R443 HydrophobicContact CG1-CG 3.69Å; Y399-R443 HydrophobicContact CE1-CG 4.03Å; Y399-R443 HydrophobicContact CE2-CG 4.06Å; Y399-R443 WeakPolarHBondContact OH-CG 3.49Å; C427-R443 HydrophobicContact CB-CB 4.27Å; C427-R443 WeakPolarHBondContact CB-O 3.39Å; G428-R443 WeakPolarHBondContact CA-O 3.32Å; G428-R443 PolarHBondContact N-O 3.19Å
444	V	97	Very high	88.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-52.1	-174.3	-172.9	0	0	0	0	110.3	M394 S396 I409 C427 G428 T429 T439 F470	M394-V444 PolarHBondContact O-N 3.13Å; S396-V444 WeakPolarHBondContact OG-CG2 3.48Å; I409-V444 HydrophobicContact CD1-CG1 3.43Å; I409-V444 VanDerWaalsContact CD1-CG1 3.43Å; I409-V444 HydrophobicContact CG1-CG1 4.45Å; C427-V444 CarbonylContact C-O 3.54Å; C427-V444 WeakPolarHBondContact CA-O 3.32Å; C427-V444 WeakPolarHBondContact CB-O 3.27Å; C427-V444 PolarHBondContact N-O 3.43Å; G428-V444 PolarHBondContact N-O 3.23Å; T429-V444 HydrophobicContact CG2-CG1 3.89Å; T429-V444 WeakPolarHBondContact CG2-O 3.46Å; T439-V444 HydrophobicContact CG2-CG1 3.86Å; T439-V444 HydrophobicContact CG2-CG2 3.99Å; V444-F470 HydrophobicContact CB-CE1 4.05Å; V444-F470 HydrophobicContact CB-CE2 4.33Å; V444-F470 HydrophobicContact CB-CZ 3.68Å; V444-F470 HydrophobicContact CG1-CE1 4.01Å; V444-F470 HydrophobicContact CG1-CZ 4.05Å; V444-F470 HydrophobicContact CG2-CE1 4.35Å; V444-F470 HydrophobicContact CG2-CE2 3.74Å; V444-F470 HydrophobicContact CG2-CZ 3.56Å
445	L	96.4	Very high	88	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.6	-179.1	-51.5	171.3	0	0	0	110.3	V393 M394 I409 L412 V424 Y425 T429 I468	V393-L445 CarbonylContact C-O 3.11Å; V393-L445 WeakPolarHBondContact CA-O 3.44Å; M394-L445 HydrophobicContact CB-CB 4.34Å; M394-L445 PolarHBondContact N-O 2.99Å; M394-L445 PolarHBondContact O-N 3.23Å; M394-L445 HydrophobicContact SD-CD1 4.18Å; I409-L445 HydrophobicContact CD1-CD2 4.45Å; I409-L445 HydrophobicContact CG2-CD1 4.31Å; L412-L445 HydrophobicContact CD2-CD1 3.97Å; V424-L445 HydrophobicContact CG1-CB 4.29Å; V424-L445 HydrophobicContact CG1-CD1 3.98Å; V424-L445 HydrophobicContact CG1-CD2 4.09Å; V424-L445 HydrophobicContact CG1-CG 4.35Å; Y425-L445 CarbonylContact O-C 3.59Å; Y425-L445 VanDerWaalsContact O-CA 3.27Å; Y425-L445 WeakPolarHBondContact O-CA 3.33Å; T429-L445 HydrophobicContact CG2-CD2 3.79Å; L445-I468 HydrophobicContact CD1-CD1 4.2Å; L445-I468 HydrophobicContact CD1-CG2 3.63Å
446	C	95.1	Very high	87.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	111	163.7	-174	0	0	0	0	108.5	E327 V392 V393 Y425	E327-C446 HydrophobicContact CG-CB 4.24Å; V392-C446 CarbonylContact O-C 3.53Å; V392-C446 WeakPolarHBondContact O-CA 3.22Å; V393-C446 HydrophobicContact CG2-CB 4.32Å; Y425-C446 WeakPolarHBondContact CB-O 3.39Å; Y425-C446 PolarHBondContact N-O 3.21Å; Y425-C446 PolarHBondContact O-N 3.18Å
447	V	93.2	Very high	86.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.9	-179.2	-178.8	0	0	0	0	108.9	G391 V392 M394 V423 V424 T464 V465 I468	G391-V447 CarbonylContact C-O 3.49Å; G391-V447 WeakPolarHBondContact CA-O 3.39Å; V392-V447 PolarHBondContact N-O 3.45Å; V392-V447 PolarHBondContact O-N 2.9Å; M394-V447 HydrophobicContact CG-CG2 4.47Å; M394-V447 HydrophobicContact SD-CG2 3.8Å; V423-V447 CarbonylContact O-C 3.6Å; V423-V447 WeakPolarHBondContact O-CA 2.95Å; V424-V447 HydrophobicContact CG1-CG2 4.44Å; V424-V447 HydrophobicContact CG2-CG2 4.44Å; V447-T464 HydrophobicContact CG1-CG2 3.63Å; V447-V465 HydrophobicContact CB-CG2 3.59Å; V447-V465 HydrophobicContact CG1-CG2 3.89Å; V447-V465 HydrophobicContact CG2-CG2 3.75Å; V447-I468 HydrophobicContact CG2-CD1 3.95Å
448	V	91.6	Very high	86.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	109.5	-170.4	-177.5	0	0	0	0	111.1	E327 V328 P358 L390 A422 V423 Y425	E327-V448 HydrophobicContact CB-CG2 3.96Å; E327-V448 WeakPolarHBondContact O-CG2 3.49Å; V328-V448 HydrophobicContact CG1-CG1 4.05Å; V328-V448 HydrophobicContact CG1-CG2 4.43Å; P358-V448 HydrophobicContact CG-CG1 3.63Å; L390-V448 CarbonylContact O-C 3.53Å; L390-V448 WeakPolarHBondContact O-CA 3.35Å; A422-V448 CarbonylContact C-O 2.92Å; A422-V448 VanDerWaalsContact CA-O 3.28Å; A422-V448 WeakPolarHBondContact CA-O 3.39Å; V423-V448 PolarHBondContact N-O 2.87Å; V423-V448 PolarHBondContact O-N 3.43Å; Y425-V448 HydrophobicContact CD2-CG2 3.77Å; Y425-V448 HydrophobicContact CE2-CB 4.33Å; Y425-V448 HydrophobicContact CE2-CG2 3.95Å
449	G	87.3	Confident	85.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	146.7	172	0	0	0	0	0	112	T389 L390 A457	T389-G449 VanDerWaalsContact CA-O 3.31Å; T389-G449 WeakPolarHBondContact CA-O 3.19Å; L390-G449 PolarHBondContact N-O 3.17Å; L390-G449 PolarHBondContact O-N 3.45Å; G449-A457 WeakPolarHBondContact CA-O 3.26Å
450	S	83.2	Confident	85.2	Confident	9 Å²	9	32.6 Å²	32.6	6%	0.063	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.9	176.8	-54.4	0	0	0	0	111	R331 G421	R331-S450 VanDerWaalsContact NH1-CB 3.26Å; R331-S450 PolarHBondContact NH1-OG 3.48Å; G421-S450 PolarHBondContact O-N 3.31Å
451	G	72.4	Confident	84.8	Confident	12 Å²	12	28.1 Å²	28.1	12%	0.124	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	169.1	170.8	0	0	0	0	0	112.2	Y388 H453	Y388-G451 PolarHBondContact N-O 3.26Å; Y388-G451 PolarHBondContact O-N 2.81Å; G451-H453 PolarHBondContact O-N 3.02Å
452	I	72.1	Confident	84.8	Confident	129 Å²	129	29.7 Å²	29.7	66%	0.662	16%	0.159	S	C	*	.	S	Bend	trans	-69.8	-15.1	176.6	60.2	173.3	0	0	0	113.5	E386 L387	E386-I452 WeakPolarHBondContact O-CA 3.23Å; L387-I452 HydrophobicContact CD2-CG2 4.23Å
453	H	71.7	Confident	84.4	Confident	53 Å²	53	32 Å²	32	25%	0.245	18%	0.175	C	C	.	.	S	Bend	trans	-133.2	147.9	-179.6	-164.8	-105.4	0	0	0	110.1	G451 S455 A456 A457	G451-H453 PolarHBondContact O-N 3.02Å; H453-S455 PolarHBondContact CE1-OG 3.45Å; H453-S455 PolarHBondContact ND1-N 3.29Å; H453-S455 PolarHBondContact ND1-OG 3.41Å; H453-S455 PolarHBondContact O-N 3.06Å; H453-S455 VanDerWaalsContact O-N 3.16Å; H453-A456 PolarHBondContact O-N 3.38Å; H453-A457 PolarHBondContact O-N 3.28Å; H453-A457 VanDerWaalsContact O-N 3.15Å
454	P	77.3	Confident	84	Confident	8 Å²	8	30.2 Å²	30.2	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-50.7	-38.1	175.6	-28.7	34.4	0	0	0	114.4	Y388 A457 K458 L484	Y388-P454 VanDerWaalsContact CD1-CA 3.48Å; Y388-P454 HydrophobicContact CD1-CB 3.88Å; Y388-P454 HydrophobicContact CD1-CG 4.03Å; Y388-P454 HydrophobicContact CD2-CB 4.42Å; Y388-P454 HydrophobicContact CD2-CG 3.73Å; Y388-P454 HydrophobicContact CE1-CB 3.74Å; Y388-P454 HydrophobicContact CE1-CG 4.11Å; Y388-P454 HydrophobicContact CE2-CB 4.29Å; Y388-P454 HydrophobicContact CE2-CG 3.81Å; Y388-P454 HydrophobicContact CG-CB 4.2Å; Y388-P454 HydrophobicContact CG-CG 3.82Å; P454-A457 PolarHBondContact O-N 2.73Å; P454-K458 VanDerWaalsContact O-CB 3.27Å; P454-K458 WeakPolarHBondContact O-CB 3.35Å; P454-K458 PolarHBondContact O-N 2.64Å; P454-L484 HydrophobicContact CB-CD2 3.93Å; P454-L484 HydrophobicContact CB-CG 4.41Å
455	S	74.1	Confident	83.7	Confident	48 Å²	48	30.3 Å²	30.3	34%	0.336	17%	0.169	S	C	.	.	H	α-helix	trans	-62.2	-41.7	176.7	-42.9	0	0	0	0	112.9	H453 K458 L459	H453-S455 PolarHBondContact CE1-OG 3.45Å; H453-S455 PolarHBondContact ND1-N 3.29Å; H453-S455 PolarHBondContact ND1-OG 3.41Å; H453-S455 PolarHBondContact O-N 3.06Å; H453-S455 VanDerWaalsContact O-N 3.16Å; S455-K458 WeakPolarHBondContact O-CB 3.49Å; S455-K458 PolarHBondContact O-N 3.16Å; S455-L459 WeakPolarHBondContact O-CB 3.47Å; S455-L459 PolarHBondContact O-N 3.46Å
456	A	74.1	Confident	83.4	Confident	37 Å²	37	34.3 Å²	34.3	31%	0.306	20%	0.202	S	C	.	.	H	α-helix	trans	-70.1	-42.7	179.9	0	0	0	0	0	111.5	H453 K458 L459 M460	H453-A456 PolarHBondContact O-N 3.38Å; A456-K458 VanDerWaalsContact C-N 3.29Å; A456-K458 PolarHBondContact O-N 3.06Å; A456-L459 PolarHBondContact O-N 3.21Å; A456-M460 WeakPolarHBondContact O-CG 3.3Å; A456-M460 PolarHBondContact O-N 3.09Å
457	A	80.1	Confident	83.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-40.9	172.9	0	0	0	0	0	111.8	Y388 L390 G449 H453 P454 A461	Y388-A457 HydrophobicContact CD1-CB 3.87Å; Y388-A457 VanDerWaalsContact O-CB 3.3Å; Y388-A457 WeakPolarHBondContact O-CB 3.36Å; L390-A457 HydrophobicContact CB-CB 4.19Å; G449-A457 WeakPolarHBondContact CA-O 3.26Å; H453-A457 PolarHBondContact O-N 3.28Å; H453-A457 VanDerWaalsContact O-N 3.15Å; P454-A457 PolarHBondContact O-N 2.73Å; A457-A461 WeakPolarHBondContact O-CB 3.26Å; A457-A461 PolarHBondContact O-N 3.28Å
458	K	86.6	Confident	83.1	Confident	54 Å²	54	37.6 Å²	37.6	24%	0.235	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-49.3	174.8	-173.1	171.5	178.3	176.1	0	112	L390 P454 S455 A456 M460 A461 Y462 L484	L390-K458 HydrophobicContact CD1-CB 3.91Å; L390-K458 HydrophobicContact CD1-CG 4.14Å; P454-K458 VanDerWaalsContact O-CB 3.27Å; P454-K458 WeakPolarHBondContact O-CB 3.35Å; P454-K458 PolarHBondContact O-N 2.64Å; S455-K458 WeakPolarHBondContact O-CB 3.49Å; S455-K458 PolarHBondContact O-N 3.16Å; A456-K458 VanDerWaalsContact C-N 3.29Å; A456-K458 PolarHBondContact O-N 3.06Å; K458-M460 PolarHBondContact O-N 3.39Å; K458-A461 PolarHBondContact O-N 3.28Å; K458-Y462 HydrophobicContact CD-CE2 4.3Å; K458-Y462 HydrophobicContact CG-CD2 3.59Å; K458-Y462 HydrophobicContact CG-CE2 3.68Å; K458-Y462 VanDerWaalsContact O-CD2 3.27Å; K458-Y462 WeakPolarHBondContact O-CD2 3.42Å; K458-Y462 PolarHBondContact O-N 3.47Å; K458-L484 HydrophobicContact CD-CD1 3.81Å
459	L	81.6	Confident	83.2	Confident	120 Å²	120	41.8 Å²	41.8	63%	0.628	25%	0.246	S	C	*	.	H	α-helix	trans	-58.7	-47.9	179.4	-179.6	62.5	0	0	0	111.5	S455 A456 A461 Y462 S463	S455-L459 WeakPolarHBondContact O-CB 3.47Å; S455-L459 PolarHBondContact O-N 3.46Å; A456-L459 PolarHBondContact O-N 3.21Å; L459-A461 PolarHBondContact O-N 3.24Å; L459-Y462 PolarHBondContact O-N 3.37Å; L459-S463 WeakPolarHBondContact O-CB 3.34Å; L459-S463 PolarHBondContact O-N 3.4Å; L459-S463 PolarHBondContact O-OG 2.9Å
460	M	83.3	Confident	83.6	Confident	66 Å²	66	42 Å²	42	33%	0.325	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-41.7	177.3	-69.1	-68.5	173	0	0	112.1	A456 K458 S463 T464	A456-M460 WeakPolarHBondContact O-CG 3.3Å; A456-M460 PolarHBondContact O-N 3.09Å; K458-M460 PolarHBondContact O-N 3.39Å; M460-S463 PolarHBondContact O-OG 3.27Å; M460-T464 WeakPolarHBondContact O-CB 3.01Å; M460-T464 PolarHBondContact O-N 2.92Å; M460-T464 PolarHBondContact O-OG1 2.87Å
461	A	87	Confident	84.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-49.7	177.8	0	0	0	0	0	111.9	L390 V392 A457 K458 L459 T464 V465	L390-A461 HydrophobicContact CD2-CB 3.68Å; V392-A461 HydrophobicContact CG2-CB 4.05Å; A457-A461 WeakPolarHBondContact O-CB 3.26Å; A457-A461 PolarHBondContact O-N 3.28Å; K458-A461 PolarHBondContact O-N 3.28Å; L459-A461 PolarHBondContact O-N 3.24Å; A461-T464 PolarHBondContact O-N 2.98Å; A461-V465 VanDerWaalsContact O-CG2 3.27Å; A461-V465 WeakPolarHBondContact O-CG2 3.49Å; A461-V465 PolarHBondContact O-N 2.71Å
462	Y	89.9	Confident	85.1	Confident	41 Å²	41	47.1 Å²	47.1	16%	0.161	27%	0.274	C	S	.	.	H	α-helix	trans	-76.1	-29.6	-173.8	-76.4	-70.6	0	0	0	114.3	L390 V392 K458 L459 A466 F475 R476 R477 D478 I479	L390-Y462 HydrophobicContact CD2-CE2 4.26Å; V392-Y462 HydrophobicContact CG1-CE1 4.05Å; V392-Y462 HydrophobicContact CG2-CD1 4.42Å; V392-Y462 HydrophobicContact CG2-CE1 3.88Å; V392-Y462 HydrophobicContact CG2-CE2 4.07Å; K458-Y462 HydrophobicContact CD-CE2 4.3Å; K458-Y462 HydrophobicContact CG-CD2 3.59Å; K458-Y462 HydrophobicContact CG-CE2 3.68Å; K458-Y462 VanDerWaalsContact O-CD2 3.27Å; K458-Y462 WeakPolarHBondContact O-CD2 3.42Å; K458-Y462 PolarHBondContact O-N 3.47Å; L459-Y462 PolarHBondContact O-N 3.37Å; Y462-A466 WeakPolarHBondContact O-CB 3.11Å; Y462-A466 PolarHBondContact O-N 3.17Å; Y462-F475 HydrophobicContact CD1-CE2 4.31Å; Y462-F475 HydrophobicContact CE1-CD2 4.21Å; Y462-F475 HydrophobicContact CE1-CE2 4.33Å; Y462-R476 VanDerWaalsContact CE1-O 3.26Å; Y462-R476 WeakPolarHBondContact CE1-O 3.46Å; Y462-R476 PolarHBondContact OH-O 3.05Å; Y462-R477 WeakPolarHBondContact OH-CA 3.32Å; Y462-R477 PolarHBondContact OH-O 3.41Å; Y462-D478 PolarHBondContact OH-N 2.93Å; Y462-I479 WeakPolarHBondContact OH-CB 3.42Å; Y462-I479 PolarHBondContact OH-N 3.23Å
463	S	84.5	Confident	86.1	Confident	54 Å²	54	42.6 Å²	42.6	38%	0.378	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-44.2	171.2	52.2	0	0	0	0	111.4	L459 M460 A466 C467	L459-S463 WeakPolarHBondContact O-CB 3.34Å; L459-S463 PolarHBondContact O-N 3.4Å; L459-S463 PolarHBondContact O-OG 2.9Å; M460-S463 PolarHBondContact O-OG 3.27Å; S463-A466 WeakPolarHBondContact O-CB 3.45Å; S463-A466 PolarHBondContact O-N 3.22Å; S463-C467 PolarHBondContact O-N 3.25Å; S463-C467 PolarHBondContact O-SG 3.47Å; S463-C467 VanDerWaalsContact O-SG 3.39Å
464	T	86.4	Confident	87.2	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-38.8	175	-55.6	0	0	0	0	112.4	A415 A422 V424 V447 M460 A461 A466 C467	A415-T464 HydrophobicContact CB-CG2 3.69Å; A422-T464 HydrophobicContact CB-CG2 4.05Å; A422-T464 WeakPolarHBondContact CB-OG1 3.43Å; V424-T464 HydrophobicContact CG2-CG2 4.06Å; V447-T464 HydrophobicContact CG1-CG2 3.63Å; M460-T464 WeakPolarHBondContact O-CB 3.01Å; M460-T464 PolarHBondContact O-N 2.92Å; M460-T464 PolarHBondContact O-OG1 2.87Å; A461-T464 PolarHBondContact O-N 2.98Å; T464-A466 VanDerWaalsContact C-N 3.26Å; T464-A466 PolarHBondContact O-N 3.04Å; T464-C467 WeakPolarHBondContact O-CB 3.2Å; T464-C467 PolarHBondContact O-N 3.46Å; T464-C467 VanDerWaalsContact O-N 3.16Å
465	V	90.7	Very high	88	Confident	2 Å²	2	45 Å²	45	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-36.8	171.6	168.2	0	0	0	0	111.7	V392 M394 V447 A461 C467 I468 F475	V392-V465 HydrophobicContact CB-CG2 4.06Å; V392-V465 HydrophobicContact CG1-CG2 4.12Å; M394-V465 HydrophobicContact CE-CG1 4.03Å; M394-V465 HydrophobicContact CG-CG1 4.42Å; M394-V465 HydrophobicContact CG-CG2 4.46Å; M394-V465 HydrophobicContact SD-CG1 4.16Å; M394-V465 HydrophobicContact SD-CG2 4.24Å; V447-V465 HydrophobicContact CB-CG2 3.59Å; V447-V465 HydrophobicContact CG1-CG2 3.89Å; V447-V465 HydrophobicContact CG2-CG2 3.75Å; A461-V465 VanDerWaalsContact O-CG2 3.27Å; A461-V465 WeakPolarHBondContact O-CG2 3.49Å; A461-V465 PolarHBondContact O-N 2.71Å; V465-C467 PolarHBondContact O-N 3.38Å; V465-I468 PolarHBondContact O-N 2.68Å; V465-F475 HydrophobicContact CG1-CD1 3.67Å; V465-F475 HydrophobicContact CG1-CD2 3.81Å; V465-F475 HydrophobicContact CG1-CE1 3.41Å; V465-F475 VanDerWaalsContact CG1-CE1 3.41Å; V465-F475 HydrophobicContact CG1-CE2 3.56Å; V465-F475 HydrophobicContact CG1-CG 3.87Å; V465-F475 HydrophobicContact CG1-CZ 3.36Å
466	A	89.2	Confident	88.9	Confident	84 Å²	84	42.9 Å²	42.9	69%	0.694	25%	0.247	S	C	*	.	H	α-helix	trans	-68.7	-17.4	179.3	0	0	0	0	0	113.9	Y462 S463 T464	Y462-A466 WeakPolarHBondContact O-CB 3.11Å; Y462-A466 PolarHBondContact O-N 3.17Å; S463-A466 WeakPolarHBondContact O-CB 3.45Å; S463-A466 PolarHBondContact O-N 3.22Å; T464-A466 VanDerWaalsContact C-N 3.26Å; T464-A466 PolarHBondContact O-N 3.04Å
467	C	89.2	Confident	89.6	Confident	61 Å²	61	49.7 Å²	49.7	41%	0.412	26%	0.264	S	S	.	.	H	α-helix	trans	-79.2	-25.6	175	-60	0	0	0	0	112.6	G411 A415 S463 T464 V465	G411-C467 VanDerWaalsContact CA-O 3.26Å; G411-C467 WeakPolarHBondContact CA-O 3.45Å; A415-C467 HydrophobicContact CB-CB 4.45Å; S463-C467 PolarHBondContact O-N 3.25Å; S463-C467 PolarHBondContact O-SG 3.47Å; S463-C467 VanDerWaalsContact O-SG 3.39Å; T464-C467 WeakPolarHBondContact O-CB 3.2Å; T464-C467 PolarHBondContact O-N 3.46Å; T464-C467 VanDerWaalsContact O-N 3.16Å; V465-C467 PolarHBondContact O-N 3.38Å
468	I	92.6	Very high	90	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.046	27%	0.268	C	S	.	.			trans	-101.9	133.8	-167.3	-57.1	167.2	0	0	0	111.1	M394 I409 K410 L412 A415 V424 L445 V447 V465	M394-I468 HydrophobicContact CE-CB 3.88Å; M394-I468 HydrophobicContact CE-CG2 3.94Å; M394-I468 WeakPolarHBondContact CE-O 3.44Å; M394-I468 HydrophobicContact SD-CB 4.13Å; M394-I468 HydrophobicContact SD-CD1 4.33Å; M394-I468 HydrophobicContact SD-CG2 4.14Å; I409-I468 HydrophobicContact CG2-CG2 3.87Å; K410-I468 WeakPolarHBondContact O-CA 3.39Å; L412-I468 HydrophobicContact CD2-CD1 4.26Å; L412-I468 HydrophobicContact CD2-CG1 4.49Å; L412-I468 HydrophobicContact CD2-CG2 4.35Å; A415-I468 HydrophobicContact CB-CD1 3.78Å; A415-I468 HydrophobicContact CB-CG1 3.77Å; V424-I468 HydrophobicContact CG1-CD1 4.05Å; V424-I468 HydrophobicContact CG2-CD1 3.8Å; L445-I468 HydrophobicContact CD1-CD1 4.2Å; L445-I468 HydrophobicContact CD1-CG2 3.63Å; V447-I468 HydrophobicContact CG2-CD1 3.95Å; V465-I468 PolarHBondContact O-N 2.68Å
469	D	94.6	Very high	90.1	Very high	87 Å²	87	47.8 Å²	47.8	47%	0.465	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-140.6	148.9	-179.9	-177.3	41.2	0	0	0	113.5	K410	K410-D469 PolarHBondContact N-O 3.03Å; K410-D469 PolarHBondContact O-N 3.33Å; K410-D469 VanDerWaalsContact O-N 3.11Å
470	F	95.8	Very high	90	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.018	23%	0.227	C	C	.	.			trans	-159.2	153.9	169.6	54.6	-93.8	0	0	0	110.8	M394 I409 T439 V444 G472 C473	M394-F470 HydrophobicContact CB-CE1 4.13Å; M394-F470 HydrophobicContact CB-CZ 4.18Å; M394-F470 HydrophobicContact CE-CE1 4.41Å; I409-F470 HydrophobicContact CG1-CB 4.26Å; I409-F470 HydrophobicContact CG1-CD1 4.29Å; I409-F470 HydrophobicContact CG1-CG 4.49Å; I409-F470 HydrophobicContact CG2-CD1 4.22Å; T439-F470 HydrophobicContact CG2-CB 4.14Å; T439-F470 HydrophobicContact CG2-CD1 4.49Å; T439-F470 HydrophobicContact CG2-CD2 3.52Å; T439-F470 HydrophobicContact CG2-CE2 3.98Å; T439-F470 HydrophobicContact CG2-CG 3.81Å; V444-F470 HydrophobicContact CB-CE1 4.05Å; V444-F470 HydrophobicContact CB-CE2 4.33Å; V444-F470 HydrophobicContact CB-CZ 3.68Å; V444-F470 HydrophobicContact CG1-CE1 4.01Å; V444-F470 HydrophobicContact CG1-CZ 4.05Å; V444-F470 HydrophobicContact CG2-CE1 4.35Å; V444-F470 HydrophobicContact CG2-CE2 3.74Å; V444-F470 HydrophobicContact CG2-CZ 3.56Å; F470-G472 PolarHBondContact O-N 3.29Å; F470-G472 VanDerWaalsContact O-N 3.16Å; F470-C473 HydrophobicContact CD1-CB 4.01Å; F470-C473 HydrophobicContact CD2-CB 3.65Å; F470-C473 HydrophobicContact CE1-CB 3.9Å; F470-C473 VanDerWaalsContact CE2-CA 3.46Å; F470-C473 HydrophobicContact CE2-CB 3.53Å; F470-C473 HydrophobicContact CG-CB 3.9Å; F470-C473 HydrophobicContact CZ-CB 3.65Å; F470-C473 VanDerWaalsContact CZ-SG 3.53Å; F470-C473 WeakPolarHBondContact O-CB 3.09Å; F470-C473 PolarHBondContact O-N 2.84Å
471	E	94.6	Very high	89.6	Confident	104 Å²	104	46.9 Å²	46.9	49%	0.486	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	122.1	-178.6	-174.8	-177.2	142.2	0	0	111.3	R404 F407	R404-E471 IonicContact CZ-OE1 2.72Å; R404-E471 IonicContact NH1-OE1 2.68Å; R404-E471 PolarHBondContact NH1-OE1 2.72Å; R404-E471 IonicContact NH2-OE1 2.71Å; R404-E471 PolarHBondContact NH2-OE1 2.78Å; F407-E471 HydrophobicContact CB-CB 4.23Å; F407-E471 HydrophobicContact CD1-CB 3.68Å; F407-E471 HydrophobicContact CD1-CG 4.16Å; F407-E471 HydrophobicContact CD2-CB 4.13Å; F407-E471 VanDerWaalsContact CD2-O 3.27Å; F407-E471 WeakPolarHBondContact CD2-O 3.41Å; F407-E471 HydrophobicContact CE1-CB 3.89Å; F407-E471 HydrophobicContact CE1-CG 3.84Å; F407-E471 WeakPolarHBondContact CE1-OE1 3.27Å; F407-E471 WeakPolarHBondContact CE1-OE2 3.4Å; F407-E471 HydrophobicContact CE2-CB 4.33Å; F407-E471 HydrophobicContact CE2-CG 4.5Å; F407-E471 WeakPolarHBondContact CE2-O 3.41Å; F407-E471 HydrophobicContact CG-CB 3.78Å; F407-E471 HydrophobicContact CZ-CB 4.19Å; F407-E471 HydrophobicContact CZ-CG 4Å; F407-E471 WeakPolarHBondContact CZ-OE1 3.49Å
472	G	91.5	Very high	88.3	Confident	26 Å²	26	48.7 Å²	48.7	27%	0.268	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	17.9	-178.1	0	0	0	0	0	115.3	E397 F470	E397-G472 WeakPolarHBondContact CA-O 3.44Å; E397-G472 WeakPolarHBondContact CB-O 3.43Å; E397-G472 PolarHBondContact N-O 2.94Å; F470-G472 PolarHBondContact O-N 3.29Å; F470-G472 VanDerWaalsContact O-N 3.16Å
473	C	94.1	Very high	86.7	Confident	34 Å²	34	47.1 Å²	47.1	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135	174.4	-179.8	0	0	0	0	112.4	M394 F470	M394-C473 WeakPolarHBondContact CE-SG 3.49Å; F470-C473 HydrophobicContact CD1-CB 4.01Å; F470-C473 HydrophobicContact CD2-CB 3.65Å; F470-C473 HydrophobicContact CE1-CB 3.9Å; F470-C473 VanDerWaalsContact CE2-CA 3.46Å; F470-C473 HydrophobicContact CE2-CB 3.53Å; F470-C473 HydrophobicContact CG-CB 3.9Å; F470-C473 HydrophobicContact CZ-CB 3.65Å; F470-C473 VanDerWaalsContact CZ-SG 3.53Å; F470-C473 WeakPolarHBondContact O-CB 3.09Å; F470-C473 PolarHBondContact O-N 2.84Å
474	F	93.8	Very high	85.1	Confident	57 Å²	57	46.9 Å²	46.9	25%	0.25	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.7	163.9	74.3	-85.5	0	0	0	112.2	L249 M261 A395 S396 Y399	L249-F474 HydrophobicContact CD1-CE2 3.52Å; L249-F474 HydrophobicContact CD1-CZ 3.7Å; L249-F474 HydrophobicContact CG-CE2 4.25Å; M261-F474 HydrophobicContact CE-CD2 4.3Å; M261-F474 HydrophobicContact CE-CE2 3.85Å; M261-F474 HydrophobicContact SD-CE2 4.44Å; A395-F474 HydrophobicContact CB-CD1 4.32Å; A395-F474 HydrophobicContact CB-CE1 3.76Å; A395-F474 HydrophobicContact CB-CE2 4.01Å; A395-F474 HydrophobicContact CB-CZ 3.58Å; A395-F474 PolarHBondContact N-O 2.81Å; A395-F474 WeakPolarHBondContact O-CD1 3.31Å; A395-F474 PolarHBondContact O-N 3.2Å; S396-F474 WeakPolarHBondContact O-CE1 3.3Å; Y399-F474 HydrophobicContact CD1-CZ 4.19Å
475	F	94.7	Very high	83	Confident	55 Å²	55	50 Å²	50	24%	0.241	26%	0.263	C	S	.	.			trans	-154.2	161.3	178.9	52.5	-89.7	0	0	0	110.3	V392 V393 M394 Y462 V465 R477	V392-F475 HydrophobicContact CG1-CB 3.92Å; V392-F475 HydrophobicContact CG1-CD2 4.22Å; V392-F475 HydrophobicContact CG1-CG 4.38Å; V393-F475 WeakPolarHBondContact O-CB 3.49Å; M394-F475 HydrophobicContact CE-CD1 4.4Å; M394-F475 HydrophobicContact CG-CB 4.47Å; M394-F475 HydrophobicContact CG-CD1 4.48Å; Y462-F475 HydrophobicContact CD1-CE2 4.31Å; Y462-F475 HydrophobicContact CE1-CD2 4.21Å; Y462-F475 HydrophobicContact CE1-CE2 4.33Å; V465-F475 HydrophobicContact CG1-CD1 3.67Å; V465-F475 HydrophobicContact CG1-CD2 3.81Å; V465-F475 HydrophobicContact CG1-CE1 3.41Å; V465-F475 VanDerWaalsContact CG1-CE1 3.41Å; V465-F475 HydrophobicContact CG1-CE2 3.56Å; V465-F475 HydrophobicContact CG1-CG 3.87Å; V465-F475 HydrophobicContact CG1-CZ 3.36Å; F475-R477 HydrophobicContact CD2-CG 4.3Å; F475-R477 HydrophobicContact CE2-CG 3.99Å
476	R	92	Very high	80.6	Confident	2 Å²	2	56 Å²	56	1%	0.008	29%	0.286	C	S	.	.			trans	-79.8	143.6	171.7	-83.9	-177	65.6	173.3	1.1	110.5	R248 L249 E250 L251 D253 M261 Y462 D478 I479	R248-R476 VanDerWaalsContact O-CD 3.22Å; R248-R476 WeakPolarHBondContact O-CD 3.42Å; R248-R476 PolarHBondContact O-NH1 3.47Å; L249-R476 WeakPolarHBondContact O-CG 3.3Å; E250-R476 PolarHBondContact O-NE 3.03Å; L251-R476 HydrophobicContact CD2-CB 4.35Å; L251-R476 HydrophobicContact CD2-CG 4.38Å; D253-R476 IonicContact OD1-CZ 3.62Å; D253-R476 IonicContact OD1-NH1 3.1Å; D253-R476 PolarHBondContact OD1-NH1 2.91Å; D253-R476 IonicContact OD1-NH2 3.91Å; D253-R476 PolarHBondContact OD1-NH2 3.25Å; D253-R476 IonicContact OD2-NH2 3.36Å; M261-R476 HydrophobicContact CB-CG 4.3Å; Y462-R476 VanDerWaalsContact CE1-O 3.26Å; Y462-R476 WeakPolarHBondContact CE1-O 3.46Å; Y462-R476 PolarHBondContact OH-O 3.05Å; R476-D478 WeakPolarHBondContact CB-OD1 3.24Å; R476-D478 IonicContact CZ-OD1 3.83Å; R476-D478 IonicContact CZ-OD2 3.72Å; R476-D478 IonicContact NE-OD1 2.73Å; R476-D478 PolarHBondContact NE-OD1 3.28Å; R476-D478 IonicContact NE-OD2 3.65Å; R476-D478 IonicContact NH2-OD1 2.68Å; R476-D478 PolarHBondContact NH2-OD1 3.45Å; R476-D478 IonicContact NH2-OD2 3.7Å; R476-D478 PolarHBondContact NH2-OD2 3.07Å; R476-I479 HydrophobicContact CB-CD1 3.83Å; R476-I479 HydrophobicContact CB-CG1 4.03Å
477	R	89.9	Confident	78	Confident	180 Å²	180	54.3 Å²	54.3	68%	0.679	27%	0.269	S	S	*	.	S	Bend	trans	-103.3	-1.4	179.3	-63.1	-174.2	-179.5	-169	-0.7	113.8	L251 Y462 F475	L251-R477 HydrophobicContact CD2-CB 4.08Å; Y462-R477 WeakPolarHBondContact OH-CA 3.32Å; Y462-R477 PolarHBondContact OH-O 3.41Å; F475-R477 HydrophobicContact CD2-CG 4.3Å; F475-R477 HydrophobicContact CE2-CG 3.99Å
478	D	87.9	Confident	75.4	Confident	14 Å²	14	54.5 Å²	54.5	8%	0.075	27%	0.266	C	S	.	.			trans	-114.8	8	-172.2	67	-37.3	0	0	0	114	L251 G252 Y462 R476 G480 R481	L251-D478 HydrophobicContact CD2-CB 4.24Å; L251-D478 VanDerWaalsContact CD2-OD1 3.27Å; L251-D478 WeakPolarHBondContact CD2-OD1 3.39Å; G252-D478 PolarHBondContact N-OD2 2.82Å; Y462-D478 PolarHBondContact OH-N 2.93Å; R476-D478 WeakPolarHBondContact CB-OD1 3.24Å; R476-D478 IonicContact CZ-OD1 3.83Å; R476-D478 IonicContact CZ-OD2 3.72Å; R476-D478 IonicContact NE-OD1 2.73Å; R476-D478 PolarHBondContact NE-OD1 3.28Å; R476-D478 IonicContact NE-OD2 3.65Å; R476-D478 IonicContact NH2-OD1 2.68Å; R476-D478 PolarHBondContact NH2-OD1 3.45Å; R476-D478 IonicContact NH2-OD2 3.7Å; R476-D478 PolarHBondContact NH2-OD2 3.07Å; D478-G480 PolarHBondContact O-N 3.25Å; D478-R481 HydrophobicContact CB-CB 4.46Å; D478-R481 WeakPolarHBondContact O-CB 3.09Å; D478-R481 PolarHBondContact O-N 3.47Å
479	I	88.5	Confident	72.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	135.3	170.6	-49.9	-61.8	0	0	0	109.2	Y246 T264 L390 V392 Y462 R476 R481	Y246-I479 HydrophobicContact CD1-CD1 4.17Å; Y246-I479 HydrophobicContact CD2-CD1 3.97Å; Y246-I479 HydrophobicContact CD2-CG2 3.83Å; Y246-I479 HydrophobicContact CE2-CG2 3.84Å; Y246-I479 HydrophobicContact CG-CD1 3.64Å; T264-I479 HydrophobicContact CG2-CG2 4.23Å; L390-I479 HydrophobicContact CD1-CG2 4.29Å; L390-I479 HydrophobicContact CD2-CB 4.27Å; L390-I479 HydrophobicContact CD2-CG2 3.98Å; L390-I479 HydrophobicContact CG-CG2 3.92Å; V392-I479 HydrophobicContact CG2-CG1 4.49Å; Y462-I479 WeakPolarHBondContact OH-CB 3.42Å; Y462-I479 PolarHBondContact OH-N 3.23Å; R476-I479 HydrophobicContact CB-CD1 3.83Å; R476-I479 HydrophobicContact CB-CG1 4.03Å; I479-R481 VanDerWaalsContact C-N 3.32Å; I479-R481 PolarHBondContact O-N 3.47Å
480	G	80.6	Confident	69.3	Low	1 Å²	1	60 Å²	60	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-2.4	-175.8	0	0	0	0	0	115.9	Y246 D478 T482 T483 L484	Y246-G480 VanDerWaalsContact OH-CA 3.31Å; Y246-G480 WeakPolarHBondContact OH-CA 3.3Å; Y246-G480 PolarHBondContact OH-N 2.63Å; Y246-G480 VanDerWaalsContact OH-N 3.12Å; D478-G480 PolarHBondContact O-N 3.25Å; G480-T482 VanDerWaalsContact C-N 3.34Å; G480-T482 PolarHBondContact O-N 3.28Å; G480-T483 PolarHBondContact O-N 3.47Å; G480-L484 PolarHBondContact O-N 2.89Å
481	R	74.1	Confident	66.3	Low	167 Å²	167	66.9 Å²	66.9	63%	0.63	35%	0.347	S	S	*	.	H	α-helix	trans	-60.2	-38.9	-176.1	-177	178.1	-175.1	172.8	3.8	113.4	D478 I479 T483 L484 S485	D478-R481 HydrophobicContact CB-CB 4.46Å; D478-R481 WeakPolarHBondContact O-CB 3.09Å; D478-R481 PolarHBondContact O-N 3.47Å; I479-R481 VanDerWaalsContact C-N 3.32Å; I479-R481 PolarHBondContact O-N 3.47Å; R481-T483 VanDerWaalsContact C-N 3.34Å; R481-L484 PolarHBondContact O-N 3.3Å; R481-S485 WeakPolarHBondContact O-CB 3.39Å; R481-S485 PolarHBondContact O-N 2.8Å
482	T	60.3	Low	63.1	Low	38 Å²	38	70.9 Å²	70.9	23%	0.233	37%	0.366	C	S	.	.	H	α-helix	trans	-70.8	-27.5	-179.2	46.4	0	0	0	0	113	Q244 Y246 K269 G480 S485	Q244-T482 PolarHBondContact NE2-OG1 2.81Å; Q244-T482 PolarHBondContact OE1-OG1 3.36Å; Y246-T482 PolarHBondContact OH-OG1 3.26Å; Y246-T482 VanDerWaalsContact OH-OG1 3.07Å; K269-T482 VanDerWaalsContact CE-O 3.29Å; K269-T482 WeakPolarHBondContact CE-O 3.49Å; K269-T482 PolarHBondContact NZ-O 2.88Å; G480-T482 VanDerWaalsContact C-N 3.34Å; G480-T482 PolarHBondContact O-N 3.28Å; T482-S485 PolarHBondContact O-OG 2.75Å
483	T	56	Low	60	Low	8 Å²	8	74.6 Å²	74.6	5%	0.049	39%	0.387	C	S	.	.	H	α-helix	trans	-73.5	-44	173.2	-39.3	0	0	0	0	110.7	Y388 G480 R481 S485	Y388-T483 HydrophobicContact CE2-CG2 3.96Å; Y388-T483 WeakPolarHBondContact OH-CB 3.37Å; Y388-T483 WeakPolarHBondContact OH-CG2 3.4Å; Y388-T483 PolarHBondContact OH-OG1 3.46Å; G480-T483 PolarHBondContact O-N 3.47Å; R481-T483 VanDerWaalsContact C-N 3.34Å; T483-S485 PolarHBondContact O-N 2.8Å
484	L	50.2	Low	56.9	Low	49 Å²	49	80.8 Å²	80.8	26%	0.257	42%	0.419	S	S	.	.	H	α-helix	trans	-66.5	-15.2	178.8	-70.9	164.7	0	0	0	114.7	P454 K458 G480 R481	P454-L484 HydrophobicContact CB-CD2 3.93Å; P454-L484 HydrophobicContact CB-CG 4.41Å; K458-L484 HydrophobicContact CD-CD1 3.81Å; G480-L484 PolarHBondContact O-N 2.89Å; R481-L484 PolarHBondContact O-N 3.3Å
485	S	43	Very low	53.7	Low	67 Å²	67	85.9 Å²	85.9	47%	0.469	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	8.6	-173.6	73.8	0	0	0	0	114.9	R481 T482 T483	R481-S485 WeakPolarHBondContact O-CB 3.39Å; R481-S485 PolarHBondContact O-N 2.8Å; T482-S485 PolarHBondContact O-OG 2.75Å; T483-S485 PolarHBondContact O-N 2.8Å
486	R	40	Very low	50.7	Low	128 Å²	128	87.8 Å²	87.8	48%	0.483	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.3	-5.9	-172.9	-113.7	-177.3	-176.4	174.7	-2.3	117.1	E224 L488 Q489	E224-R486 IonicContact OE2-NH1 3.5Å; R486-L488 PolarHBondContact O-N 2.77Å; R486-Q489 PolarHBondContact O-N 2.85Å
487	S	35.6	Very low	47.9	Very low	50 Å²	50	93.1 Å²	93.1	35%	0.35	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.8	167.6	39.8	0	0	0	0	112.2	Q489 E503	S487-Q489 PolarHBondContact O-N 3.33Å; S487-Q489 VanDerWaalsContact O-N 3.1Å; S487-E503 VanDerWaalsContact C-OE1 3.27Å; S487-E503 VanDerWaalsContact C-OE2 3.23Å; S487-E503 WeakPolarHBondContact CA-OE1 3.15Å; S487-E503 VanDerWaalsContact CB-OE1 3.31Å; S487-E503 WeakPolarHBondContact CB-OE1 3.31Å; S487-E503 PolarHBondContact N-OE1 3.45Å; S487-E503 VanDerWaalsContact OG-CD 3.28Å; S487-E503 PolarHBondContact OG-OE1 3.3Å
488	L	33.7	Very low	45.6	Very low	64 Å²	64	88.2 Å²	88.2	34%	0.335	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-24.4	165.4	-84.6	165.8	0	0	0	116.7	R486 E503	R486-L488 PolarHBondContact O-N 2.77Å; L488-E503 VanDerWaalsContact CA-OE2 3.29Å; L488-E503 WeakPolarHBondContact CA-OE2 3.49Å; L488-E503 HydrophobicContact CD1-CB 3.88Å; L488-E503 HydrophobicContact CD2-CB 3.38Å; L488-E503 HydrophobicContact CD2-CG 4.42Å; L488-E503 HydrophobicContact CG-CB 3.34Å; L488-E503 HydrophobicContact CG-CG 4.13Å; L488-E503 PolarHBondContact N-OE1 3.33Å; L488-E503 PolarHBondContact N-OE2 2.75Å
489	Q	30.7	Very low	44	Very low	151 Å²	151	90 Å²	90	71%	0.706	51%	0.511	S	S	*	.	S	Bend	trans	-140.6	76.1	-159.3	-67.4	-179	-3.5	0	0	114.1	R486 S487	R486-Q489 PolarHBondContact O-N 2.85Å; S487-Q489 PolarHBondContact O-N 3.33Å; S487-Q489 VanDerWaalsContact O-N 3.1Å
490	G	29.2	Very low	42	Very low	61 Å²	61	94.5 Å²	94.5	63%	0.629	54%	0.537	S	S	*	.			trans	146.8	117.3	147.3	0	0	0	0	0	119.9
491	T	30.9	Very low	41.1	Very low	148 Å²	148	100.3 Å²	100.3	91%	0.908	56%	0.56	S	S	*	*			trans	77	126.7	150	63.3	0	0	0	0	120.7
492	H	28.5	Very low	40.9	Very low	189 Å²	189	94.3 Å²	94.3	88%	0.875	54%	0.54	S	S	*	.			trans	-77.8	131	-174.9	-56.5	-101.2	0	0	0	113.7
493	S	27.1	Very low	40.9	Very low	103 Å²	103	94.2 Å²	94.2	72%	0.72	54%	0.537	S	S	*	.				176.4	123.6	122.8	41	0	0	0	0	114.2	L495	S493-L495 PolarHBondContact O-N 2.85Å
494	N	28.1	Very low	41.3	Very low	165 Å²	165	96.9 Å²	96.9	88%	0.882	56%	0.56	S	S	*	*	S	Bend	trans	63.6	28.1	153.9	-61.5	-0.9	0	0	0	120.6
495	L	27.5	Very low	41.9	Very low	163 Å²	163	95.8 Å²	95.8	85%	0.853	56%	0.561	S	S	*	*	S	Bend	trans	-126.6	150.5	159.5	-77.9	163.5	0	0	0	109.9	S493	S493-L495 PolarHBondContact O-N 2.85Å
496	A	31.3	Very low	43.3	Very low	95 Å²	95	93.4 Å²	93.4	79%	0.785	54%	0.543	S	S	*	.			trans	-57.5	149.5	-163.4	0	0	0	0	0	114	V498	A496-V498 PolarHBondContact O-N 3.29Å; A496-V498 VanDerWaalsContact O-N 3.07Å
497	S	33.8	Very low	45.1	Very low	115 Å²	115	88.8 Å²	88.8	80%	0.804	53%	0.528	S	S	*	.			trans	-49.4	107.8	-171.4	51.2	0	0	0	0	114	D499	S497-D499 PolarHBondContact O-N 3.32Å
498	V	40.4	Very low	46.9	Very low	76 Å²	76	89.2 Å²	89.2	46%	0.461	53%	0.526	S	S	.	.			trans	-66.1	125.7	155.7	177.9	0	0	0	0	107	A496 V500	A496-V498 PolarHBondContact O-N 3.29Å; A496-V498 VanDerWaalsContact O-N 3.07Å; V498-V500 PolarHBondContact O-N 3Å
499	D	54	Low	48.8	Very low	53 Å²	53	91.3 Å²	91.3	28%	0.283	53%	0.533	S	S	.	.			trans	-80.8	88.4	-174.4	-141.1	-28.1	0	0	0	109.6	S497 Y501 L502	S497-D499 PolarHBondContact O-N 3.32Å; D499-Y501 PolarHBondContact O-N 3.29Å; D499-L502 HydrophobicContact CB-CB 4.08Å; D499-L502 VanDerWaalsContact O-CB 3.28Å; D499-L502 WeakPolarHBondContact O-CB 3.3Å; D499-L502 PolarHBondContact O-N 2.93Å
500	V	46.4	Very low	50.7	Low	93 Å²	93	86.4 Å²	86.4	56%	0.564	51%	0.51	S	S	*	.	H	α-helix	trans	-51.8	-27.6	-176.4	176.8	0	0	0	0	112.4	V498 A504	V498-V500 PolarHBondContact O-N 3Å; V500-A504 PolarHBondContact O-N 3.36Å
501	Y	63	Low	52.7	Low	123 Å²	123	84.8 Å²	84.8	48%	0.482	49%	0.491	S	S	.	.	H	α-helix	trans	-74.6	-35.1	178.5	-148.8	-135.6	0	0	0	112.5	D499 E503 A504 G505 V506 L508	D499-Y501 PolarHBondContact O-N 3.29Å; Y501-E503 PolarHBondContact O-N 3.37Å; Y501-A504 WeakPolarHBondContact O-CB 3.41Å; Y501-A504 PolarHBondContact O-N 3.3Å; Y501-A504 VanDerWaalsContact O-N 3.1Å; Y501-G505 PolarHBondContact O-N 2.9Å; Y501-V506 CarbonylContact C-O 3.33Å; Y501-V506 HydrophobicContact CD1-CB 3.54Å; Y501-V506 HydrophobicContact CD1-CG1 3.4Å; Y501-V506 HydrophobicContact CD1-CG2 4.42Å; Y501-V506 HydrophobicContact CD2-CB 4.49Å; Y501-V506 HydrophobicContact CE1-CB 3.65Å; Y501-V506 HydrophobicContact CE1-CG1 3.22Å; Y501-V506 HydrophobicContact CE1-CG2 4.18Å; Y501-V506 HydrophobicContact CE2-CG2 4.48Å; Y501-V506 HydrophobicContact CG-CB 3.99Å; Y501-V506 HydrophobicContact CG-CG1 4.34Å; Y501-V506 PolarHBondContact O-N 3.44Å; Y501-L508 HydrophobicContact CD1-CD1 4.12Å; Y501-L508 HydrophobicContact CD1-CD2 3.61Å; Y501-L508 HydrophobicContact CD1-CG 3.76Å; Y501-L508 HydrophobicContact CE1-CD2 4.01Å
502	L	69.2	Low	54.7	Low	42 Å²	42	85.5 Å²	85.5	22%	0.22	48%	0.477	C	S	.	.	H	α-helix	trans	-58.3	-36.9	174.3	171.5	62.7	0	0	0	111.7	D499 G505 V506 D507	D499-L502 HydrophobicContact CB-CB 4.08Å; D499-L502 VanDerWaalsContact O-CB 3.28Å; D499-L502 WeakPolarHBondContact O-CB 3.3Å; D499-L502 PolarHBondContact O-N 2.93Å; L502-G505 WeakPolarHBondContact O-CA 3.49Å; L502-G505 PolarHBondContact O-N 2.96Å; L502-V506 WeakPolarHBondContact CA-O 3.48Å; L502-V506 PolarHBondContact N-O 3.17Å; L502-D507 HydrophobicContact CD1-CB 3.54Å
503	E	60.6	Low	57	Low	35 Å²	35	80.8 Å²	80.8	16%	0.164	46%	0.456	C	S	.	.	H	α-helix	trans	-84	-17.2	-178.9	-57.2	176.8	96	0	0	113.6	S487 L488 Y501 G505	S487-E503 VanDerWaalsContact C-OE1 3.27Å; S487-E503 VanDerWaalsContact C-OE2 3.23Å; S487-E503 WeakPolarHBondContact CA-OE1 3.15Å; S487-E503 VanDerWaalsContact CB-OE1 3.31Å; S487-E503 WeakPolarHBondContact CB-OE1 3.31Å; S487-E503 PolarHBondContact N-OE1 3.45Å; S487-E503 VanDerWaalsContact OG-CD 3.28Å; S487-E503 PolarHBondContact OG-OE1 3.3Å; L488-E503 VanDerWaalsContact CA-OE2 3.29Å; L488-E503 WeakPolarHBondContact CA-OE2 3.49Å; L488-E503 HydrophobicContact CD1-CB 3.88Å; L488-E503 HydrophobicContact CD2-CB 3.38Å; L488-E503 HydrophobicContact CD2-CG 4.42Å; L488-E503 HydrophobicContact CG-CB 3.34Å; L488-E503 HydrophobicContact CG-CG 4.13Å; L488-E503 PolarHBondContact N-OE1 3.33Å; L488-E503 PolarHBondContact N-OE2 2.75Å; Y501-E503 PolarHBondContact O-N 3.37Å; E503-G505 PolarHBondContact O-N 3.18Å
504	A	63.4	Low	59.2	Low	64 Å²	64	76.2 Å²	76.2	53%	0.529	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.8	157.8	0	0	0	0	0	111.9	V500 Y501 P640	V500-A504 PolarHBondContact O-N 3.36Å; Y501-A504 WeakPolarHBondContact O-CB 3.41Å; Y501-A504 PolarHBondContact O-N 3.3Å; Y501-A504 VanDerWaalsContact O-N 3.1Å; A504-P640 WeakPolarHBondContact O-CG 3.42Å
505	G	62.7	Low	61.5	Low	27 Å²	27	72 Å²	72	28%	0.278	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	20.9	178.5	0	0	0	0	0	114.4	Y501 L502 E503	Y501-G505 PolarHBondContact O-N 2.9Å; L502-G505 WeakPolarHBondContact O-CA 3.49Å; L502-G505 PolarHBondContact O-N 2.96Å; E503-G505 PolarHBondContact O-N 3.18Å
506	V	73.3	Confident	63.8	Low	16 Å²	16	66.6 Å²	66.6	10%	0.097	38%	0.381	C	S	.	.			trans	-124.1	100.7	-177.8	-174.7	0	0	0	0	111.8	Y501 L502 L508 E638 P640	Y501-V506 CarbonylContact C-O 3.33Å; Y501-V506 HydrophobicContact CD1-CB 3.54Å; Y501-V506 HydrophobicContact CD1-CG1 3.4Å; Y501-V506 HydrophobicContact CD1-CG2 4.42Å; Y501-V506 HydrophobicContact CD2-CB 4.49Å; Y501-V506 HydrophobicContact CE1-CB 3.65Å; Y501-V506 HydrophobicContact CE1-CG1 3.22Å; Y501-V506 HydrophobicContact CE1-CG2 4.18Å; Y501-V506 HydrophobicContact CE2-CG2 4.48Å; Y501-V506 HydrophobicContact CG-CB 3.99Å; Y501-V506 HydrophobicContact CG-CG1 4.34Å; Y501-V506 PolarHBondContact O-N 3.44Å; L502-V506 WeakPolarHBondContact CA-O 3.48Å; L502-V506 PolarHBondContact N-O 3.17Å; V506-L508 PolarHBondContact O-N 2.98Å; V506-E638 WeakPolarHBondContact CA-OE2 3.26Å; V506-E638 HydrophobicContact CB-CB 4.3Å; V506-E638 HydrophobicContact CG1-CB 4.06Å; V506-E638 HydrophobicContact CG2-CB 4.04Å; V506-E638 WeakPolarHBondContact CG2-O 3.41Å; V506-P640 HydrophobicContact CG2-CG 4.12Å
507	D	76.9	Confident	65.9	Low	31 Å²	31	65.5 Å²	65.5	17%	0.166	36%	0.362	C	S	.	.			trans	-81.6	88.7	-176.9	-163.9	-29	0	0	0	112.2	L502 K509 M510 A511 E638	L502-D507 HydrophobicContact CD1-CB 3.54Å; D507-K509 PolarHBondContact O-N 3.17Å; D507-K509 VanDerWaalsContact O-N 3.1Å; D507-K509 WeakPolarHBondContact OD1-CA 3.19Å; D507-K509 VanDerWaalsContact OD1-CB 3.31Å; D507-K509 WeakPolarHBondContact OD1-CB 3.43Å; D507-K509 PolarHBondContact OD1-N 2.88Å; D507-M510 HydrophobicContact CB-CB 3.68Å; D507-M510 VanDerWaalsContact CG-CB 3.43Å; D507-M510 PolarHBondContact O-N 2.95Å; D507-M510 PolarHBondContact OD1-N 3.32Å; D507-A511 PolarHBondContact O-N 3.5Å; D507-E638 PolarHBondContact N-OE2 3.48Å
508	L	73.7	Confident	68.3	Low	60 Å²	60	60.6 Å²	60.6	31%	0.314	33%	0.326	S	S	.	.	H	α-helix	trans	-57.4	-22.8	173.9	-65.6	-177.5	0	0	0	114	Y501 V506 R512	Y501-L508 HydrophobicContact CD1-CD1 4.12Å; Y501-L508 HydrophobicContact CD1-CD2 3.61Å; Y501-L508 HydrophobicContact CD1-CG 3.76Å; Y501-L508 HydrophobicContact CE1-CD2 4.01Å; V506-L508 PolarHBondContact O-N 2.98Å; L508-R512 VanDerWaalsContact O-CG 3.31Å; L508-R512 WeakPolarHBondContact O-CG 3.29Å; L508-R512 PolarHBondContact O-N 3.25Å
509	K	74.4	Confident	70.4	Confident	108 Å²	108	59.2 Å²	59.2	47%	0.47	32%	0.315	S	S	.	.	H	α-helix	trans	-81.4	-44.2	178.7	-173.4	175.9	178.1	-74.8	0	110.2	D507 A511 R512 E513	D507-K509 PolarHBondContact O-N 3.17Å; D507-K509 VanDerWaalsContact O-N 3.1Å; D507-K509 WeakPolarHBondContact OD1-CA 3.19Å; D507-K509 VanDerWaalsContact OD1-CB 3.31Å; D507-K509 WeakPolarHBondContact OD1-CB 3.43Å; D507-K509 PolarHBondContact OD1-N 2.88Å; K509-A511 VanDerWaalsContact C-N 3.34Å; K509-R512 PolarHBondContact O-N 3.4Å; K509-E513 IonicContact NZ-OE1 2.69Å; K509-E513 PolarHBondContact NZ-OE1 3.32Å; K509-E513 WeakPolarHBondContact O-CG 3.39Å; K509-E513 PolarHBondContact O-N 3.36Å
510	M	71.6	Confident	72	Confident	47 Å²	47	60 Å²	60	23%	0.232	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-44.5	173.2	-162.5	175	-64.2	0	0	111.3	D507 R512 E513 I514 I608 F610	D507-M510 HydrophobicContact CB-CB 3.68Å; D507-M510 VanDerWaalsContact CG-CB 3.43Å; D507-M510 PolarHBondContact O-N 2.95Å; D507-M510 PolarHBondContact OD1-N 3.32Å; M510-R512 VanDerWaalsContact C-N 3.28Å; M510-R512 PolarHBondContact O-N 2.9Å; M510-E513 PolarHBondContact O-N 3.2Å; M510-E513 VanDerWaalsContact O-N 3.08Å; M510-I514 WeakPolarHBondContact O-CG1 3.17Å; M510-I514 PolarHBondContact O-N 2.94Å; M510-I608 HydrophobicContact CG-CB 4.36Å; M510-I608 HydrophobicContact CG-CG2 3.83Å; M510-I608 HydrophobicContact SD-CB 3.65Å; M510-I608 HydrophobicContact SD-CG2 3.41Å; M510-I608 WeakPolarHBondContact SD-CG2 3.4Å; M510-F610 HydrophobicContact CE-CE2 4.31Å; M510-F610 HydrophobicContact CG-CD2 4.25Å; M510-F610 HydrophobicContact CG-CE1 4.29Å; M510-F610 HydrophobicContact CG-CE2 3.42Å; M510-F610 VanDerWaalsContact CG-CE2 3.42Å; M510-F610 HydrophobicContact CG-CZ 3.45Å; M510-F610 VanDerWaalsContact CG-CZ 3.45Å; M510-F610 HydrophobicContact SD-CD2 4.29Å; M510-F610 HydrophobicContact SD-CE2 3.86Å; M510-F610 HydrophobicContact SD-CZ 4.48Å
511	A	69.4	Low	74	Confident	27 Å²	27	56.8 Å²	56.8	22%	0.223	30%	0.302	C	S	.	.	H	α-helix	trans	-56.3	-39.3	174.6	0	0	0	0	0	112.8	D507 K509 Q515 I608	D507-A511 PolarHBondContact O-N 3.5Å; K509-A511 VanDerWaalsContact C-N 3.34Å; A511-Q515 WeakPolarHBondContact O-CG 3.49Å; A511-Q515 PolarHBondContact O-N 3.17Å; A511-I608 HydrophobicContact CB-CD1 4.43Å
512	R	74.7	Confident	75.1	Confident	164 Å²	164	51.2 Å²	51.2	62%	0.619	28%	0.281	S	S	*	.	H	α-helix	trans	-72.1	-36	174.4	-71.2	173.3	-166.2	158.4	10	113.3	L508 K509 M510 I514 Q515	L508-R512 VanDerWaalsContact O-CG 3.31Å; L508-R512 WeakPolarHBondContact O-CG 3.29Å; L508-R512 PolarHBondContact O-N 3.25Å; K509-R512 PolarHBondContact O-N 3.4Å; M510-R512 VanDerWaalsContact C-N 3.28Å; M510-R512 PolarHBondContact O-N 2.9Å; R512-I514 VanDerWaalsContact C-N 3.34Å; R512-Q515 PolarHBondContact O-N 3.48Å
513	E	75.3	Confident	76.1	Confident	90 Å²	90	55.8 Å²	55.8	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-37.5	177.8	-74.9	173.2	-171.5	0	0	111.2	K509 M510 Q515 G516 F610	K509-E513 IonicContact NZ-OE1 2.69Å; K509-E513 PolarHBondContact NZ-OE1 3.32Å; K509-E513 WeakPolarHBondContact O-CG 3.39Å; K509-E513 PolarHBondContact O-N 3.36Å; M510-E513 PolarHBondContact O-N 3.2Å; M510-E513 VanDerWaalsContact O-N 3.08Å; E513-Q515 PolarHBondContact O-N 2.93Å; E513-G516 PolarHBondContact O-N 3.08Å; E513-F610 HydrophobicContact CB-CE1 3.99Å; E513-F610 HydrophobicContact CB-CZ 3.91Å
514	I	74.1	Confident	77.5	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-57.9	-46.3	171	-69.2	160.4	0	0	0	111.7	M510 R512 G516 I517 L518 I608 F610 I613	M510-I514 WeakPolarHBondContact O-CG1 3.17Å; M510-I514 PolarHBondContact O-N 2.94Å; R512-I514 VanDerWaalsContact C-N 3.34Å; I514-G516 PolarHBondContact O-N 2.99Å; I514-G516 VanDerWaalsContact O-N 3.1Å; I514-I517 WeakPolarHBondContact O-CA 3.39Å; I514-I517 WeakPolarHBondContact O-CB 3.36Å; I514-I517 PolarHBondContact O-N 3.3Å; I514-L518 HydrophobicContact CG2-CD1 3.42Å; I514-L518 VanDerWaalsContact CG2-CD1 3.42Å; I514-L518 HydrophobicContact CG2-CD2 4.26Å; I514-L518 HydrophobicContact CG2-CG 3.57Å; I514-L518 WeakPolarHBondContact O-CG 3.37Å; I514-L518 PolarHBondContact O-N 3.06Å; I514-I608 HydrophobicContact CD1-CB 4.32Å; I514-I608 HydrophobicContact CD1-CD1 3.71Å; I514-I608 HydrophobicContact CD1-CG1 4.02Å; I514-I608 HydrophobicContact CD1-CG2 3.39Å; I514-I608 HydrophobicContact CG1-CG2 4.33Å; I514-F610 HydrophobicContact CG1-CD1 3.7Å; I514-F610 HydrophobicContact CG1-CE1 3.61Å; I514-I613 HydrophobicContact CG2-CG2 3.95Å
515	Q	76	Confident	78.9	Confident	77 Å²	77	56.5 Å²	56.5	36%	0.36	29%	0.289	S	S	.	.	H	α-helix	trans	-53.5	-37.7	-176.7	-69.2	173.9	-7.7	0	0	112.4	A511 R512 E513 L518 E519 I535	A511-Q515 WeakPolarHBondContact O-CG 3.49Å; A511-Q515 PolarHBondContact O-N 3.17Å; R512-Q515 PolarHBondContact O-N 3.48Å; E513-Q515 PolarHBondContact O-N 2.93Å; Q515-L518 PolarHBondContact O-N 3.07Å; Q515-E519 PolarHBondContact O-N 3.24Å; Q515-E519 VanDerWaalsContact O-N 3.1Å; Q515-I535 HydrophobicContact CB-CG2 4.1Å; Q515-I535 HydrophobicContact CG-CG2 3.85Å
516	G	76.9	Confident	80.3	Confident	49 Å²	49	58.7 Å²	58.7	51%	0.505	30%	0.3	S	S	.	.	H	α-helix	trans	-70.5	-27.8	175.9	0	0	0	0	0	114.8	E513 I514 P520	E513-G516 PolarHBondContact O-N 3.08Å; I514-G516 PolarHBondContact O-N 2.99Å; I514-G516 VanDerWaalsContact O-N 3.1Å; G516-P520 WeakPolarHBondContact O-CD 3.29Å
517	I	75.2	Confident	81.3	Confident	73 Å²	73	59 Å²	59	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-79.7	-35.3	175.6	-62	168.1	0	0	0	110.8	I514 P520 F610 E614	I514-I517 WeakPolarHBondContact O-CA 3.39Å; I514-I517 WeakPolarHBondContact O-CB 3.36Å; I514-I517 PolarHBondContact O-N 3.3Å; I517-P520 WeakPolarHBondContact O-CD 3.46Å; I517-F610 HydrophobicContact CD1-CD1 3.76Å; I517-F610 HydrophobicContact CD1-CE1 3.91Å; I517-E614 HydrophobicContact CG2-CG 4.34Å
518	L	83.4	Confident	82	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.063	32%	0.318	C	S	.	.	H	α-helix	trans	-79.6	-28.9	-178.8	-59.5	-171.7	0	0	0	113.6	I514 Q515 L521 C522 I535 I613 V617	I514-L518 HydrophobicContact CG2-CD1 3.42Å; I514-L518 VanDerWaalsContact CG2-CD1 3.42Å; I514-L518 HydrophobicContact CG2-CD2 4.26Å; I514-L518 HydrophobicContact CG2-CG 3.57Å; I514-L518 WeakPolarHBondContact O-CG 3.37Å; I514-L518 PolarHBondContact O-N 3.06Å; Q515-L518 PolarHBondContact O-N 3.07Å; L518-L521 HydrophobicContact CD2-CD1 4.18Å; L518-L521 WeakPolarHBondContact O-CA 3.47Å; L518-L521 WeakPolarHBondContact O-CB 3.48Å; L518-L521 PolarHBondContact O-N 2.9Å; L518-C522 PolarHBondContact O-N 3.07Å; L518-I535 HydrophobicContact CB-CD1 3.64Å; L518-I613 HydrophobicContact CD1-CG2 4.46Å; L518-V617 HydrophobicContact CB-CG1 4.44Å; L518-V617 HydrophobicContact CD1-CB 4.41Å; L518-V617 HydrophobicContact CD1-CG1 4.23Å; L518-V617 HydrophobicContact CD1-CG2 3.86Å; L518-V617 HydrophobicContact CD2-CB 3.7Å; L518-V617 HydrophobicContact CD2-CG1 3.76Å; L518-V617 HydrophobicContact CD2-CG2 3.93Å; L518-V617 HydrophobicContact CG-CG1 4.34Å
519	E	83.8	Confident	82.9	Confident	47 Å²	47	59.1 Å²	59.1	22%	0.22	31%	0.306	C	S	.	.	H	α-helix	trans	-55.6	-42.9	-176.4	-171	-175.6	-147.2	0	0	113.5	Q515 L521 C522 R523 I535	Q515-E519 PolarHBondContact O-N 3.24Å; Q515-E519 VanDerWaalsContact O-N 3.1Å; E519-L521 VanDerWaalsContact C-N 3.29Å; E519-L521 PolarHBondContact O-N 3.15Å; E519-C522 PolarHBondContact O-N 2.95Å; E519-R523 HydrophobicContact CG-CG 4.36Å; E519-R523 WeakPolarHBondContact O-CB 3.39Å; E519-R523 VanDerWaalsContact O-CG 3.27Å; E519-R523 WeakPolarHBondContact O-CG 3.5Å; E519-R523 PolarHBondContact O-N 3.42Å; E519-R523 IonicContact OE1-CZ 3.64Å; E519-R523 IonicContact OE1-NE 2.79Å; E519-R523 PolarHBondContact OE1-NE 3.05Å; E519-R523 IonicContact OE1-NH2 2.78Å; E519-R523 PolarHBondContact OE1-NH2 2.85Å; E519-R523 IonicContact OE2-CZ 3.12Å; E519-R523 IonicContact OE2-NH2 2.92Å; E519-R523 PolarHBondContact OE2-NH2 3.46Å; E519-I535 HydrophobicContact CB-CD1 4.11Å; E519-I535 HydrophobicContact CB-CG1 4.34Å
520	P	87.3	Confident	83.6	Confident	69 Å²	69	55.2 Å²	55.2	45%	0.448	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-27.7	171.5	-24.7	35.2	0	0	0	115.2	G516 I517 Q524	G516-P520 WeakPolarHBondContact O-CD 3.29Å; I517-P520 WeakPolarHBondContact O-CD 3.46Å; P520-Q524 VanDerWaalsContact O-CG 3.31Å; P520-Q524 WeakPolarHBondContact O-CG 3.49Å; P520-Q524 PolarHBondContact O-NE2 2.99Å
521	L	88.4	Confident	83.7	Confident	25 Å²	25	58.7 Å²	58.7	13%	0.131	31%	0.307	C	S	.	.	H	α-helix	trans	-76.4	-49.4	177.4	-62.5	174.3	0	0	0	110.3	L518 E519 R523 Q524 E614 V617 K618 A621	L518-L521 HydrophobicContact CD2-CD1 4.18Å; L518-L521 WeakPolarHBondContact O-CA 3.47Å; L518-L521 WeakPolarHBondContact O-CB 3.48Å; L518-L521 PolarHBondContact O-N 2.9Å; E519-L521 VanDerWaalsContact C-N 3.29Å; E519-L521 PolarHBondContact O-N 3.15Å; L521-R523 PolarHBondContact O-N 2.68Å; L521-Q524 WeakPolarHBondContact O-CB 3.45Å; L521-Q524 PolarHBondContact O-N 2.9Å; L521-E614 HydrophobicContact CD1-CG 4.49Å; L521-V617 HydrophobicContact CD1-CG1 4.26Å; L521-K618 HydrophobicContact CD1-CB 4.17Å; L521-K618 HydrophobicContact CD2-CB 4.47Å; L521-K618 HydrophobicContact CD2-CG 4.47Å; L521-A621 HydrophobicContact CB-CB 4.3Å
522	C	88.1	Confident	83.6	Confident	7 Å²	7	63.3 Å²	63.3	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-42.2	178.9	-60.5	0	0	0	0	111.9	L518 E519 Q524 T525 I535 L631	L518-C522 PolarHBondContact O-N 3.07Å; E519-C522 PolarHBondContact O-N 2.95Å; C522-Q524 PolarHBondContact O-N 2.9Å; C522-Q524 VanDerWaalsContact O-N 3.14Å; C522-T525 WeakPolarHBondContact O-CB 3.46Å; C522-T525 PolarHBondContact O-N 3.19Å; C522-T525 PolarHBondContact O-OG1 3.13Å; C522-I535 HydrophobicContact CB-CD1 4.16Å; C522-L631 VanDerWaalsContact SG-CD2 3.57Å
523	R	88.5	Confident	83.3	Confident	137 Å²	137	56.6 Å²	56.6	52%	0.517	30%	0.304	S	S	.	.	H	α-helix	trans	-58	-28.4	177.2	-76.1	176.5	-179.7	177	5	113.9	E519 L521 T525 S526 L533	E519-R523 HydrophobicContact CG-CG 4.36Å; E519-R523 WeakPolarHBondContact O-CB 3.39Å; E519-R523 VanDerWaalsContact O-CG 3.27Å; E519-R523 WeakPolarHBondContact O-CG 3.5Å; E519-R523 PolarHBondContact O-N 3.42Å; E519-R523 IonicContact OE1-CZ 3.64Å; E519-R523 IonicContact OE1-NE 2.79Å; E519-R523 PolarHBondContact OE1-NE 3.05Å; E519-R523 IonicContact OE1-NH2 2.78Å; E519-R523 PolarHBondContact OE1-NH2 2.85Å; E519-R523 IonicContact OE2-CZ 3.12Å; E519-R523 IonicContact OE2-NH2 2.92Å; E519-R523 PolarHBondContact OE2-NH2 3.46Å; L521-R523 PolarHBondContact O-N 2.68Å; R523-T525 PolarHBondContact O-N 3.25Å; R523-S526 WeakPolarHBondContact O-CB 3.37Å; R523-S526 PolarHBondContact O-N 3.5Å; R523-L533 HydrophobicContact CG-CB 4.28Å
524	Q	90.6	Very high	82.7	Confident	107 Å²	107	58.7 Å²	58.7	50%	0.5	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-5	176.1	-66.1	167.4	48	0	0	114.1	P520 L521 C522 K625	P520-Q524 VanDerWaalsContact O-CG 3.31Å; P520-Q524 WeakPolarHBondContact O-CG 3.49Å; P520-Q524 PolarHBondContact O-NE2 2.99Å; L521-Q524 WeakPolarHBondContact O-CB 3.45Å; L521-Q524 PolarHBondContact O-N 2.9Å; C522-Q524 PolarHBondContact O-N 2.9Å; C522-Q524 VanDerWaalsContact O-N 3.14Å; Q524-K625 WeakPolarHBondContact O-CE 3.36Å
525	T	93.5	Very high	82.2	Confident	8 Å²	8	60.5 Å²	60.5	5%	0.049	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	0.8	176.9	72.1	0	0	0	0	113	C522 R523 A621 C624 K625 A630 L631	C522-T525 WeakPolarHBondContact O-CB 3.46Å; C522-T525 PolarHBondContact O-N 3.19Å; C522-T525 PolarHBondContact O-OG1 3.13Å; R523-T525 PolarHBondContact O-N 3.25Å; T525-A621 HydrophobicContact CG2-CB 3.94Å; T525-A621 WeakPolarHBondContact CG2-O 3.39Å; T525-C624 HydrophobicContact CG2-CB 3.85Å; T525-K625 HydrophobicContact CG2-CG 4.46Å; T525-A630 WeakPolarHBondContact O-CA 3.3Å; T525-A630 WeakPolarHBondContact O-CB 3.23Å; T525-L631 HydrophobicContact CG2-CB 4.11Å; T525-L631 PolarHBondContact OG1-N 3.37Å
526	S	91.4	Very high	81.4	Confident	73 Å²	73	58.7 Å²	58.7	51%	0.51	32%	0.323	S	S	.	.			trans	-56.9	139.4	-177.8	-178	0	0	0	0	112.5	R523 T530	R523-S526 WeakPolarHBondContact O-CB 3.37Å; R523-S526 PolarHBondContact O-N 3.5Å; S526-T530 PolarHBondContact OG-OG1 3.11Å
527	R	93.4	Very high	80.5	Confident	23 Å²	23	59 Å²	59	9%	0.087	33%	0.326	C	S	.	.			trans	-143.4	165.4	178.2	63	164.3	-76.5	161.2	1.5	110	G529 T530 F542 E595 P596 L597 N628 A630	R527-G529 PolarHBondContact O-N 2.95Å; R527-T530 HydrophobicContact CG-CG2 4.3Å; R527-T530 PolarHBondContact O-N 3.36Å; R527-T530 PolarHBondContact O-OG1 3.48Å; R527-F542 HydrophobicContact CG-CE2 4.35Å; R527-E595 IonicContact CZ-OE1 3.45Å; R527-E595 VanDerWaalsContact CZ-OE1 3.23Å; R527-E595 IonicContact NH1-OE1 2.68Å; R527-E595 PolarHBondContact NH1-OE1 3.38Å; R527-E595 IonicContact NH2-OE1 2.69Å; R527-E595 PolarHBondContact NH2-OE1 3.45Å; R527-P596 PolarHBondContact NH1-O 3.3Å; R527-P596 VanDerWaalsContact NH1-O 3.09Å; R527-L597 WeakPolarHBondContact CD-O 3.44Å; R527-N628 WeakPolarHBondContact CD-O 2.99Å; R527-N628 PolarHBondContact NH1-ND2 2.96Å; R527-N628 PolarHBondContact NH1-O 2.92Å; R527-A630 HydrophobicContact CG-CB 4.19Å
528	P	93.2	Very high	79.8	Confident	87 Å²	87	64.8 Å²	64.8	57%	0.565	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	129.2	171.1	-25.6	35.2	0	0	0	111.1	S546	P528-S546 VanDerWaalsContact CB-O 3.22Å; P528-S546 WeakPolarHBondContact CB-O 3.44Å
529	G	91.7	Very high	79.2	Confident	6 Å²	6	67 Å²	67	6%	0.062	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.7	-20.5	-171.1	0	0	0	0	0	115.5	R527 E531 F542 D543	R527-G529 PolarHBondContact O-N 2.95Å; G529-E531 PolarHBondContact O-N 2.89Å; G529-F542 CarbonylContact O-C 3.21Å; G529-F542 WeakPolarHBondContact O-CA 3.25Å; G529-D543 WeakPolarHBondContact CA-O 3.45Å; G529-D543 PolarHBondContact O-N 3.48Å
530	T	89.4	Confident	79.2	Confident	25 Å²	25	67 Å²	67	15%	0.153	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-80.1	117.2	175.4	61.8	0	0	0	0	112	S526 R527 L533 F542 A630 I632	S526-T530 PolarHBondContact OG-OG1 3.11Å; R527-T530 HydrophobicContact CG-CG2 4.3Å; R527-T530 PolarHBondContact O-N 3.36Å; R527-T530 PolarHBondContact O-OG1 3.48Å; T530-L533 HydrophobicContact CG2-CD2 4.39Å; T530-F542 HydrophobicContact CG2-CD2 4.21Å; T530-F542 HydrophobicContact CG2-CE2 3.97Å; T530-A630 HydrophobicContact CG2-CB 3.27Å; T530-I632 HydrophobicContact CG2-CG2 4.12Å
531	E	74.4	Confident	79.1	Confident	120 Å²	120	71.4 Å²	71.4	56%	0.561	40%	0.395	S	S	*	.			trans	-87.3	142.8	164.8	-63.8	-168.3	163.2	0	0	110.6	G529 L533	G529-E531 PolarHBondContact O-N 2.89Å; E531-L533 PolarHBondContact O-N 2.88Å; E531-L533 VanDerWaalsContact O-N 3.12Å
532	D	67.3	Low	79.3	Confident	124 Å²	124	71.6 Å²	71.6	66%	0.663	40%	0.395	S	S	*	.			trans	20	77.1	168.1	-99.3	21.9	0	0	0	115.4	K534	D532-K534 HydrophobicContact CB-CD 4.49Å; D532-K534 PolarHBondContact O-N 3.15Å; D532-K534 WeakPolarHBondContact OD2-CE 3.36Å; D532-K534 IonicContact OD2-NZ 3.43Å; D532-K534 PolarHBondContact OD2-NZ 3.31Å
533	L	67.4	Low	79.6	Confident	23 Å²	23	73.7 Å²	73.7	12%	0.12	41%	0.405	C	S	.	.			trans	-63.3	79.5	178.2	-72.5	172.6	0	0	0	111.9	R523 T530 E531 I632	R523-L533 HydrophobicContact CG-CB 4.28Å; T530-L533 HydrophobicContact CG2-CD2 4.39Å; E531-L533 PolarHBondContact O-N 2.88Å; E531-L533 VanDerWaalsContact O-N 3.12Å; L533-I632 HydrophobicContact CD2-CB 4.15Å; L533-I632 HydrophobicContact CD2-CG2 3.98Å
534	K	62.4	Low	79.9	Confident	135 Å²	135	69.2 Å²	69.2	59%	0.587	39%	0.392	S	S	*	.			trans	-106.8	110.9	175.7	-72.4	170.2	176.4	150.8	0	108.6	D532	D532-K534 HydrophobicContact CB-CD 4.49Å; D532-K534 PolarHBondContact O-N 3.15Å; D532-K534 WeakPolarHBondContact OD2-CE 3.36Å; D532-K534 IonicContact OD2-NZ 3.43Å; D532-K534 PolarHBondContact OD2-NZ 3.31Å
535	I	64.2	Low	80	Confident	43 Å²	43	71.3 Å²	71.3	22%	0.221	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	143.1	174.5	-56.8	-172.9	0	0	0	109.2	Q515 L518 E519 C522	Q515-I535 HydrophobicContact CB-CG2 4.1Å; Q515-I535 HydrophobicContact CG-CG2 3.85Å; L518-I535 HydrophobicContact CB-CD1 3.64Å; E519-I535 HydrophobicContact CB-CD1 4.11Å; E519-I535 HydrophobicContact CB-CG1 4.34Å; C522-I535 HydrophobicContact CB-CD1 4.16Å
536	G	58.6	Low	80	Confident	39 Å²	39	74.5 Å²	74.5	40%	0.402	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.3	5.9	176.3	0	0	0	0	0	116	F538	G536-F538 VanDerWaalsContact C-N 3.32Å; G536-F538 PolarHBondContact O-N 3.46Å
537	G	58.4	Low	80.1	Confident	55 Å²	55	71.7 Å²	71.7	57%	0.567	41%	0.405	S	S	*	.	S	Bend	trans	-77.4	-3.5	178.8	0	0	0	0	0	116.5	G539	G537-G539 PolarHBondContact O-N 3.21Å
538	F	60.8	Low	80.2	Confident	195 Å²	195	72.9 Å²	72.9	86%	0.855	43%	0.425	S	S	*	.	S	Bend	trans	57.3	-14.8	-167.4	-59.3	-77.4	0	0	0	116.4	G536	G536-F538 VanDerWaalsContact C-N 3.32Å; G536-F538 PolarHBondContact O-N 3.46Å
539	G	71.3	Confident	80.3	Confident	58 Å²	58	69.2 Å²	69.2	60%	0.598	40%	0.4	S	S	*	.	S	Bend	trans	-150.7	166.1	166.1	0	0	0	0	0	109.7	G537	G537-G539 PolarHBondContact O-N 3.21Å
540	A	82	Confident	80.4	Confident	47 Å²	47	76 Å²	76	39%	0.388	43%	0.43	S	S	.	.			trans	-135.3	148.1	-180	0	0	0	0	0	110.3	I632	A540-I632 HydrophobicContact CB-CB 3.92Å; A540-I632 HydrophobicContact CB-CD1 3.75Å; A540-I632 HydrophobicContact CB-CG1 3.86Å; A540-I632 WeakPolarHBondContact CB-O 3.43Å
541	F	86.9	Confident	80.7	Confident	162 Å²	162	82.3 Å²	82.3	71%	0.711	45%	0.452	S	S	*	.			trans	-92.2	142.9	177.4	-62.7	-79.2	0	0	0	110.3
542	F	91.6	Very high	81.7	Confident	30 Å²	30	78.2 Å²	78.2	13%	0.132	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-137	113.8	173.6	-167	-79	0	0	0	109.2	R527 G529 T530 L544 A547 L597 F598	R527-F542 HydrophobicContact CG-CE2 4.35Å; G529-F542 CarbonylContact O-C 3.21Å; G529-F542 WeakPolarHBondContact O-CA 3.25Å; T530-F542 HydrophobicContact CG2-CD2 4.21Å; T530-F542 HydrophobicContact CG2-CE2 3.97Å; F542-L544 HydrophobicContact CD1-CD2 4.03Å; F542-L544 HydrophobicContact CE1-CD2 4.28Å; F542-L544 PolarHBondContact O-N 3.43Å; F542-A547 HydrophobicContact CE1-CB 3.58Å; F542-A547 HydrophobicContact CZ-CB 4.03Å; F542-L597 HydrophobicContact CD1-CD1 4.3Å; F542-L597 HydrophobicContact CE1-CB 3.86Å; F542-L597 HydrophobicContact CE1-CD1 3.77Å; F542-L597 HydrophobicContact CE1-CD2 4.21Å; F542-L597 HydrophobicContact CE1-CG 4.17Å; F542-L597 HydrophobicContact CE2-CB 4.25Å; F542-L597 HydrophobicContact CZ-CB 3.72Å; F542-L597 HydrophobicContact CZ-CD1 4.43Å; F542-L597 HydrophobicContact CZ-CD2 4.2Å; F542-L597 HydrophobicContact CZ-CG 4.33Å; F542-F598 HydrophobicContact CB-CD1 3.84Å; F542-F598 HydrophobicContact CB-CE1 3.9Å; F542-F598 HydrophobicContact CD1-CD1 4.2Å; F542-F598 HydrophobicContact CD2-CB 4.09Å; F542-F598 AromaticContact CD2-CD1 3.69Å; F542-F598 HydrophobicContact CD2-CD1 3.69Å; F542-F598 HydrophobicContact CD2-CG 4.29Å; F542-F598 HydrophobicContact CE2-CB 4.35Å; F542-F598 HydrophobicContact CE2-CD1 4.31Å; F542-F598 AromaticContact CG-CD1 3.63Å; F542-F598 HydrophobicContact CG-CD1 3.63Å; F542-F598 HydrophobicContact CG-CE1 4.08Å
543	D	93.9	Very high	82.9	Confident	50 Å²	50	75.6 Å²	75.6	27%	0.267	42%	0.421	S	S	.	.			trans	-80.9	116.5	178.3	177.8	21.2	0	0	0	111.1	G529 E545 S546 A547	G529-D543 WeakPolarHBondContact CA-O 3.45Å; G529-D543 PolarHBondContact O-N 3.48Å; D543-E545 PolarHBondContact OD1-N 2.87Å; D543-S546 WeakPolarHBondContact OD2-CB 3.15Å; D543-S546 PolarHBondContact OD2-N 2.83Å; D543-S546 PolarHBondContact OD2-OG 3.01Å; D543-A547 WeakPolarHBondContact O-CB 3.48Å; D543-A547 PolarHBondContact O-N 3.36Å
544	L	94.7	Very high	84.4	Confident	43 Å²	43	79.1 Å²	79.1	23%	0.225	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-28.7	178.9	-61.8	172.4	0	0	0	112.2	F542 A547 G548 Y549 P552 L554 L597	F542-L544 HydrophobicContact CD1-CD2 4.03Å; F542-L544 HydrophobicContact CE1-CD2 4.28Å; F542-L544 PolarHBondContact O-N 3.43Å; L544-A547 PolarHBondContact O-N 3.32Å; L544-G548 PolarHBondContact O-N 3.43Å; L544-Y549 CarbonylContact C-O 3.53Å; L544-Y549 WeakPolarHBondContact O-CB 3.06Å; L544-Y549 PolarHBondContact O-N 2.74Å; L544-P552 HydrophobicContact CB-CG 4.26Å; L544-P552 HydrophobicContact CD1-CB 4.41Å; L544-P552 HydrophobicContact CD1-CG 3.73Å; L544-L554 HydrophobicContact CD1-CD1 4.37Å; L544-L554 HydrophobicContact CD1-CD2 4.05Å; L544-L554 HydrophobicContact CD2-CD2 3.94Å; L544-L597 HydrophobicContact CD2-CD1 3.45Å; L544-L597 VanDerWaalsContact CD2-CD1 3.45Å
545	E	94.4	Very high	86	Confident	151 Å²	151	73.9 Å²	73.9	71%	0.706	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-49.4	178.2	-173.8	169.4	-164.3	0	0	110.2	D543 A547 G548	D543-E545 PolarHBondContact OD1-N 2.87Å; E545-A547 PolarHBondContact O-N 3.16Å; E545-G548 WeakPolarHBondContact O-CA 3.3Å; E545-G548 PolarHBondContact O-N 2.91Å
546	S	93.1	Very high	87.5	Confident	76 Å²	76	75.6 Å²	75.6	53%	0.531	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25	171.4	-67.2	0	0	0	0	113.8	P528 D543 G548	P528-S546 VanDerWaalsContact CB-O 3.22Å; P528-S546 WeakPolarHBondContact CB-O 3.44Å; D543-S546 WeakPolarHBondContact OD2-CB 3.15Å; D543-S546 PolarHBondContact OD2-N 2.83Å; D543-S546 PolarHBondContact OD2-OG 3.01Å; S546-G548 VanDerWaalsContact C-N 3.26Å
547	A	93.9	Very high	89.2	Confident	13 Å²	13	74.4 Å²	74.4	11%	0.107	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.6	171.6	0	0	0	0	0	114.1	F542 D543 L544 E545 Y549 L597	F542-A547 HydrophobicContact CE1-CB 3.58Å; F542-A547 HydrophobicContact CZ-CB 4.03Å; D543-A547 WeakPolarHBondContact O-CB 3.48Å; D543-A547 PolarHBondContact O-N 3.36Å; L544-A547 PolarHBondContact O-N 3.32Å; E545-A547 PolarHBondContact O-N 3.16Å; A547-Y549 HydrophobicContact CB-CD2 4.27Å; A547-L597 HydrophobicContact CB-CD2 4.44Å
548	G	94.2	Very high	91	Very high	49 Å²	49	76.5 Å²	76.5	51%	0.505	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	22.3	175.7	0	0	0	0	0	115.6	L544 E545 S546	L544-G548 PolarHBondContact O-N 3.43Å; E545-G548 WeakPolarHBondContact O-CA 3.3Å; E545-G548 PolarHBondContact O-N 2.91Å; S546-G548 VanDerWaalsContact C-N 3.26Å
549	Y	95.4	Very high	92.7	Very high	10 Å²	10	69.5 Å²	69.5	4%	0.039	40%	0.396	C	S	.	.			trans	-116	127.4	179.7	-68.7	-90.8	0	0	0	111.8	L544 A547 P552 E595 L597 A657 E659 R744	L544-Y549 CarbonylContact C-O 3.53Å; L544-Y549 WeakPolarHBondContact O-CB 3.06Å; L544-Y549 PolarHBondContact O-N 2.74Å; A547-Y549 HydrophobicContact CB-CD2 4.27Å; Y549-P552 HydrophobicContact CD1-CB 4.32Å; Y549-P552 HydrophobicContact CG-CB 4.41Å; Y549-E595 WeakPolarHBondContact OH-CB 3.44Å; Y549-E595 PolarHBondContact OH-OE2 2.91Å; Y549-L597 HydrophobicContact CE2-CD2 4.02Å; Y549-A657 HydrophobicContact CD1-CB 3.98Å; Y549-A657 HydrophobicContact CD2-CB 4.26Å; Y549-A657 HydrophobicContact CE1-CB 3.76Å; Y549-A657 HydrophobicContact CE2-CB 4.08Å; Y549-A657 HydrophobicContact CG-CB 4.24Å; Y549-A657 PolarHBondContact OH-O 3.32Å; Y549-E659 WeakPolarHBondContact CA-OE2 3.26Å; Y549-E659 HydrophobicContact CD1-CB 4.07Å; Y549-E659 HydrophobicContact CE1-CB 4.23Å; Y549-R744 PolarHBondContact OH-NH2 3.39Å
550	Q	94.5	Very high	93.8	Very high	148 Å²	148	67.7 Å²	67.7	69%	0.692	38%	0.377	S	S	*	.	S	Bend	trans	-102	-38.2	178.4	-66.5	-176.2	-14.1	0	0	112.6	E659	Q550-E659 PolarHBondContact N-OE2 2.68Å
551	Y	95.4	Very high	94.4	Very high	158 Å²	158	65.5 Å²	65.5	62%	0.62	36%	0.359	S	S	*	.	S	Bend	trans	-129.8	53.1	179.2	-58.7	-78.1	0	0	0	112.4	E659 K660	Y551-E659 WeakPolarHBondContact CA-OE1 3.45Å; Y551-E659 VanDerWaalsContact CB-OE1 3.31Å; Y551-E659 WeakPolarHBondContact CB-OE1 3.12Å; Y551-E659 PolarHBondContact N-OE1 2.67Å; Y551-E659 PolarHBondContact N-OE2 3.02Å; Y551-E659 VanDerWaalsContact O-OE1 3.13Å; Y551-K660 VanDerWaalsContact O-CB 3.3Å; Y551-K660 WeakPolarHBondContact O-CB 3.44Å; Y551-K660 VanDerWaalsContact O-CD 3.24Å; Y551-K660 WeakPolarHBondContact O-CD 3.47Å; Y551-K660 WeakPolarHBondContact O-CG 3.4Å; Y551-K660 PolarHBondContact O-N 2.95Å
552	P	94.8	Very high	94.6	Very high	33 Å²	33	59.6 Å²	59.6	21%	0.214	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	146.9	-170.8	21.9	-31.8	0	0	0	114.6	L544 Y549 L554 A657	L544-P552 HydrophobicContact CB-CG 4.26Å; L544-P552 HydrophobicContact CD1-CB 4.41Å; L544-P552 HydrophobicContact CD1-CG 3.73Å; Y549-P552 HydrophobicContact CD1-CB 4.32Å; Y549-P552 HydrophobicContact CG-CB 4.41Å; P552-L554 HydrophobicContact CB-CD2 4.44Å; P552-A657 HydrophobicContact CB-CB 4.46Å
553	L	94.2	Very high	94.7	Very high	69 Å²	69	60.3 Å²	60.3	36%	0.361	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.8	152.2	-80.3	169.2	0	0	0	107.6	A657 L658 K660	L553-A657 WeakPolarHBondContact O-CA 3.5Å; L553-L658 HydrophobicContact CB-CD1 4Å; L553-L658 HydrophobicContact CB-CG 3.93Å; L553-L658 HydrophobicContact CD1-CD1 3.9Å; L553-L658 PolarHBondContact N-O 2.62Å; L553-L658 PolarHBondContact O-N 2.73Å; L553-K660 HydrophobicContact CD1-CG 3.91Å; L553-K660 VanDerWaalsContact CD2-CE 3.43Å; L553-K660 HydrophobicContact CG-CD 4.22Å; L553-K660 VanDerWaalsContact CG-CE 3.42Å; L553-K660 HydrophobicContact CG-CG 3.75Å
554	L	97.2	Very high	94.8	Very high	98 Å²	98	58 Å²	58	51%	0.513	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	144.8	173.5	-59.1	-178	0	0	0	110.7	L544 P552 V655 G656 A657	L544-L554 HydrophobicContact CD1-CD1 4.37Å; L544-L554 HydrophobicContact CD1-CD2 4.05Å; L544-L554 HydrophobicContact CD2-CD2 3.94Å; P552-L554 HydrophobicContact CB-CD2 4.44Å; L554-V655 HydrophobicContact CD2-CG1 4.49Å; L554-G656 CarbonylContact C-O 3.16Å; L554-G656 WeakPolarHBondContact CA-O 3.41Å; L554-A657 HydrophobicContact CD2-CB 3.98Å
555	V	96.4	Very high	94.8	Very high	25 Å²	25	56.4 Å²	56.4	15%	0.152	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.2	172.6	-176.7	0	0	0	0	107.1	I589 H592 A594 V655 G656 L658	V555-I589 HydrophobicContact CG1-CB 4.08Å; V555-I589 HydrophobicContact CG1-CG2 4.02Å; V555-H592 HydrophobicContact CG1-CB 4.04Å; V555-H592 HydrophobicContact CG2-CB 4.17Å; V555-A594 HydrophobicContact CB-CB 3.82Å; V555-A594 HydrophobicContact CG2-CB 3.87Å; V555-V655 WeakPolarHBondContact O-CA 3.41Å; V555-G656 PolarHBondContact N-O 3.49Å; V555-G656 PolarHBondContact O-N 3.41Å; V555-L658 HydrophobicContact CG2-CD2 4.07Å
556	S	96.4	Very high	94.7	Very high	79 Å²	79	52.3 Å²	52.3	55%	0.552	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.4	175.2	53.1	0	0	0	0	111.2	A654	S556-A654 CarbonylContact C-O 3.49Å; S556-A654 VanDerWaalsContact CA-O 3.28Å; S556-A654 WeakPolarHBondContact CA-O 3.37Å
557	G	94.5	Very high	94.7	Very high	14 Å²	14	48.8 Å²	48.8	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.7	176.3	0	0	0	0	0	110.3	F653 A654	G557-F653 CarbonylContact O-C 3.49Å; G557-F653 WeakPolarHBondContact O-CA 3.26Å; G557-A654 PolarHBondContact N-O 3.31Å; G557-A654 PolarHBondContact O-N 3.02Å
558	T	95.7	Very high	94.7	Very high	98 Å²	98	48.1 Å²	48.1	60%	0.601	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	136	177.2	-170.9	0	0	0	0	109.9	G652	T558-G652 WeakPolarHBondContact CA-O 3.49Å; T558-G652 WeakPolarHBondContact CB-O 3.44Å; T558-G652 PolarHBondContact OG1-O 2.92Å
559	D	95.4	Very high	94.6	Very high	48 Å²	48	47.5 Å²	47.5	26%	0.257	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	168.7	176.1	-156	-6.4	0	0	0	110	M584 S585 G652	D559-M584 HydrophobicContact CB-CB 3.95Å; D559-M584 WeakPolarHBondContact OD2-CE 3.38Å; D559-S585 PolarHBondContact N-OG 3.37Å; D559-G652 PolarHBondContact N-O 2.91Å; D559-G652 PolarHBondContact O-N 2.85Å
560	G	95	Very high	94.3	Very high	20 Å²	20	52.2 Å²	52.2	21%	0.206	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	178.9	173.8	0	0	0	0	0	112.6	L650	G560-L650 VanDerWaalsContact CA-O 3.25Å; G560-L650 WeakPolarHBondContact CA-O 3.22Å
561	V	94.4	Very high	94	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	27%	0.266	C	S	.	.			trans	-97.9	-6.5	171.8	-67.8	0	0	0	0	113.5	K564 I565 D580 L581 L650	V561-K564 WeakPolarHBondContact O-CB 3.5Å; V561-K564 PolarHBondContact O-N 2.83Å; V561-I565 HydrophobicContact CG2-CD1 3.77Å; V561-I565 HydrophobicContact CG2-CG1 3.53Å; V561-D580 HydrophobicContact CG1-CB 3.55Å; V561-L581 HydrophobicContact CG1-CB 3.85Å; V561-L581 HydrophobicContact CG1-CD1 3.92Å; V561-L581 HydrophobicContact CG2-CD1 4.45Å; V561-L650 HydrophobicContact CG2-CB 3.99Å; V561-L650 HydrophobicContact CG2-CD1 3.96Å
562	G	92.3	Very high	93.7	Very high	38 Å²	38	40.9 Å²	40.9	39%	0.392	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-144.8	176.7	0	0	0	0	0	113.7	K564 I565	G562-K564 PolarHBondContact O-N 3.2Å; G562-I565 WeakPolarHBondContact O-CD1 3.16Å; G562-I565 WeakPolarHBondContact O-CG1 3.4Å; G562-I565 PolarHBondContact O-N 2.81Å
563	T	93.5	Very high	93.5	Very high	46 Å²	46	42.2 Å²	42.2	28%	0.282	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	0.4	-172.5	54.6	0	0	0	0	116.2	I565 K566 S699	T563-I565 PolarHBondContact O-N 3.44Å; T563-K566 PolarHBondContact O-N 3.08Å; T563-S699 VanDerWaalsContact CG2-OG 3.27Å; T563-S699 WeakPolarHBondContact CG2-OG 3.45Å; T563-S699 PolarHBondContact OG1-N 3.05Å; T563-S699 PolarHBondContact OG1-OG 3.2Å
564	K	95.2	Very high	93.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-31	167.9	-168.4	169.4	-174.1	-176.4	0	111.3	V561 G562 K566 I567 A568 I577 D580 F698 L728 L729 T730	V561-K564 WeakPolarHBondContact O-CB 3.5Å; V561-K564 PolarHBondContact O-N 2.83Å; G562-K564 PolarHBondContact O-N 3.2Å; K564-K566 PolarHBondContact O-N 2.98Å; K564-K566 VanDerWaalsContact O-N 3.14Å; K564-I567 PolarHBondContact O-N 2.94Å; K564-A568 PolarHBondContact O-N 2.91Å; K564-A568 VanDerWaalsContact O-N 3.16Å; K564-I577 HydrophobicContact CD-CG2 4.45Å; K564-I577 HydrophobicContact CG-CG2 4.14Å; K564-D580 WeakPolarHBondContact CD-OD2 3.44Å; K564-D580 WeakPolarHBondContact CE-OD2 3.35Å; K564-D580 IonicContact NZ-OD1 3.58Å; K564-D580 PolarHBondContact NZ-OD1 3.4Å; K564-D580 IonicContact NZ-OD2 2.73Å; K564-D580 PolarHBondContact NZ-OD2 3.01Å; K564-F698 HydrophobicContact CB-CB 4.3Å; K564-F698 HydrophobicContact CB-CD1 3.94Å; K564-F698 HydrophobicContact CB-CD2 3.98Å; K564-F698 HydrophobicContact CB-CE1 4.3Å; K564-F698 HydrophobicContact CB-CE2 4.34Å; K564-F698 HydrophobicContact CB-CG 3.77Å; K564-F698 HydrophobicContact CB-CZ 4.5Å; K564-F698 HydrophobicContact CD-CD2 4.2Å; K564-F698 HydrophobicContact CD-CE1 4.16Å; K564-F698 HydrophobicContact CD-CE2 3.72Å; K564-F698 HydrophobicContact CD-CZ 3.7Å; K564-F698 HydrophobicContact CG-CD1 3.88Å; K564-F698 HydrophobicContact CG-CD2 4.17Å; K564-F698 HydrophobicContact CG-CE1 3.71Å; K564-F698 HydrophobicContact CG-CE2 4.03Å; K564-F698 HydrophobicContact CG-CG 4.11Å; K564-F698 HydrophobicContact CG-CZ 3.81Å; K564-L728 WeakPolarHBondContact CE-O 3.35Å; K564-L729 HydrophobicContact CG-CD2 4.13Å; K564-T730 PolarHBondContact NZ-O 3.14Å
565	I	94.8	Very high	93.3	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-49	-40	171.7	-65.4	165.2	0	0	0	112.2	V561 G562 T563 I567 A568 A569 I577 L648 L650	V561-I565 HydrophobicContact CG2-CD1 3.77Å; V561-I565 HydrophobicContact CG2-CG1 3.53Å; G562-I565 WeakPolarHBondContact O-CD1 3.16Å; G562-I565 WeakPolarHBondContact O-CG1 3.4Å; G562-I565 PolarHBondContact O-N 2.81Å; T563-I565 PolarHBondContact O-N 3.44Å; I565-I567 VanDerWaalsContact C-N 3.33Å; I565-I567 PolarHBondContact O-N 3.23Å; I565-A568 WeakPolarHBondContact O-CB 2.89Å; I565-A568 PolarHBondContact O-N 3.27Å; I565-A569 WeakPolarHBondContact O-CB 3.49Å; I565-A569 PolarHBondContact O-N 3.35Å; I565-I577 HydrophobicContact CG1-CD1 3.98Å; I565-L648 HydrophobicContact CD1-CD1 4.1Å; I565-L648 HydrophobicContact CG1-CD1 4.25Å; I565-L648 HydrophobicContact CG2-CD1 3.55Å; I565-L648 HydrophobicContact CG2-CG 3.73Å; I565-L650 HydrophobicContact CD1-CB 4.2Å; I565-L650 HydrophobicContact CD1-CD1 4.44Å; I565-L650 HydrophobicContact CD1-CG 4.16Å; I565-L650 HydrophobicContact CG1-CD1 4.36Å
566	K	92.6	Very high	93.2	Very high	66 Å²	66	38.7 Å²	38.7	29%	0.287	24%	0.241	S	C	.	.	H	α-helix	trans	-69.2	-30	-177.5	-72.4	-75.7	-174.7	177.8	0	112.9	T563 K564 Q570 E647	T563-K566 PolarHBondContact O-N 3.08Å; K564-K566 PolarHBondContact O-N 2.98Å; K564-K566 VanDerWaalsContact O-N 3.14Å; K566-Q570 WeakPolarHBondContact O-CB 3.5Å; K566-Q570 VanDerWaalsContact O-CG 3.22Å; K566-Q570 WeakPolarHBondContact O-CG 3.14Å; K566-Q570 PolarHBondContact O-N 3.04Å; K566-Q570 PolarHBondContact O-OE1 2.89Å; K566-E647 IonicContact NZ-OE1 3.18Å; K566-E647 PolarHBondContact NZ-OE1 3.09Å
567	I	93.4	Very high	93.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-72.4	-43.1	171.3	-59.1	-60.7	0	0	0	109.8	K564 I565 A569 Q570 C571 F698 R702 I705 L712 L729	K564-I567 PolarHBondContact O-N 2.94Å; I565-I567 VanDerWaalsContact C-N 3.33Å; I565-I567 PolarHBondContact O-N 3.23Å; I567-A569 PolarHBondContact O-N 3.32Å; I567-Q570 PolarHBondContact O-N 3.24Å; I567-C571 WeakPolarHBondContact O-CB 3.24Å; I567-C571 PolarHBondContact O-N 2.94Å; I567-C571 PolarHBondContact O-SG 3.34Å; I567-F698 HydrophobicContact CG1-CD1 3.96Å; I567-F698 HydrophobicContact CG1-CE1 4.31Å; I567-R702 HydrophobicContact CD1-CG 3.58Å; I567-R702 HydrophobicContact CG1-CG 4.12Å; I567-I705 HydrophobicContact CD1-CD1 4.16Å; I567-L712 HydrophobicContact CD1-CD1 4.22Å; I567-L712 HydrophobicContact CD1-CD2 4.23Å; I567-L712 HydrophobicContact CG2-CD1 4.29Å; I567-L712 HydrophobicContact CG2-CD2 4.46Å; I567-L729 HydrophobicContact CB-CD2 4.22Å; I567-L729 HydrophobicContact CG2-CD1 4.1Å; I567-L729 HydrophobicContact CG2-CD2 4.01Å; I567-L729 HydrophobicContact CG2-CG 3.82Å
568	A	94	Very high	93.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-49	177.1	0	0	0	0	0	111.9	K564 I565 Q570 C571 G572 K573 Y574 I577 L729	K564-A568 PolarHBondContact O-N 2.91Å; K564-A568 VanDerWaalsContact O-N 3.16Å; I565-A568 WeakPolarHBondContact O-CB 2.89Å; I565-A568 PolarHBondContact O-N 3.27Å; A568-Q570 PolarHBondContact O-N 3.25Å; A568-C571 CarbonylContact O-C 3.27Å; A568-C571 PolarHBondContact O-N 2.88Å; A568-C571 VanDerWaalsContact O-N 3.12Å; A568-G572 PolarHBondContact O-N 2.88Å; A568-K573 VanDerWaalsContact CB-O 3.29Å; A568-K573 WeakPolarHBondContact CB-O 3.3Å; A568-K573 PolarHBondContact O-N 3.49Å; A568-Y574 HydrophobicContact CB-CD1 3.83Å; A568-Y574 HydrophobicContact CB-CE1 4.24Å; A568-I577 HydrophobicContact CB-CD1 3.92Å; A568-I577 HydrophobicContact CB-CG1 4.35Å; A568-I577 HydrophobicContact CB-CG2 3.94Å; A568-L729 HydrophobicContact CB-CD1 4.48Å; A568-L729 HydrophobicContact CB-CD2 3.95Å
569	A	90.9	Very high	93.4	Very high	35 Å²	35	30.5 Å²	30.5	29%	0.289	18%	0.184	S	C	.	.	H	α-helix	trans	-62.8	-40.6	176.6	0	0	0	0	0	113	I565 I567 C571 G572 Y574	I565-A569 WeakPolarHBondContact O-CB 3.49Å; I565-A569 PolarHBondContact O-N 3.35Å; I567-A569 PolarHBondContact O-N 3.32Å; A569-C571 PolarHBondContact O-N 3.4Å; A569-G572 PolarHBondContact O-N 3.04Å; A569-Y574 HydrophobicContact CB-CE1 3.99Å
570	Q	89.1	Confident	93.5	Very high	110 Å²	110	28.2 Å²	28.2	51%	0.514	17%	0.172	S	C	.	.	H	α-helix	trans	-67.2	-23	175	-75.1	176	-44	0	0	113.3	K566 I567 A568 L712	K566-Q570 WeakPolarHBondContact O-CB 3.5Å; K566-Q570 VanDerWaalsContact O-CG 3.22Å; K566-Q570 WeakPolarHBondContact O-CG 3.14Å; K566-Q570 PolarHBondContact O-N 3.04Å; K566-Q570 PolarHBondContact O-OE1 2.89Å; I567-Q570 PolarHBondContact O-N 3.24Å; A568-Q570 PolarHBondContact O-N 3.25Å; Q570-L712 HydrophobicContact CB-CD1 3.64Å
571	C	89.4	Confident	93.6	Very high	22 Å²	22	27.3 Å²	27.3	15%	0.149	16%	0.162	C	C	.	.	H	α-helix	trans	-98.3	-12.6	179	-60.3	0	0	0	0	114.1	I567 A568 A569 K573 G725 L729	I567-C571 WeakPolarHBondContact O-CB 3.24Å; I567-C571 PolarHBondContact O-N 2.94Å; I567-C571 PolarHBondContact O-SG 3.34Å; A568-C571 CarbonylContact O-C 3.27Å; A568-C571 PolarHBondContact O-N 2.88Å; A568-C571 VanDerWaalsContact O-N 3.12Å; A569-C571 PolarHBondContact O-N 3.4Å; C571-K573 VanDerWaalsContact C-N 3.3Å; C571-K573 HydrophobicContact CB-CB 4.14Å; C571-K573 HydrophobicContact CB-CD 3.98Å; C571-K573 HydrophobicContact CB-CG 4.11Å; C571-G725 VanDerWaalsContact SG-CA 3.56Å; C571-L729 HydrophobicContact CB-CD1 3.96Å
572	G	89.2	Confident	93.8	Very high	45 Å²	45	27.2 Å²	27.2	46%	0.464	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	33.3	-168.6	0	0	0	0	0	113.5	A568 A569	A568-G572 PolarHBondContact O-N 2.88Å; A569-G572 PolarHBondContact O-N 3.04Å
573	K	89.3	Confident	94.1	Very high	62 Å²	62	25.4 Å²	25.4	27%	0.27	14%	0.143	S	C	.	.			trans	-129.7	93.6	-172.7	-68.7	172.7	-171.4	167	0	110.1	A568 C571 D723 S726 L729	A568-K573 VanDerWaalsContact CB-O 3.29Å; A568-K573 WeakPolarHBondContact CB-O 3.3Å; A568-K573 PolarHBondContact O-N 3.49Å; C571-K573 VanDerWaalsContact C-N 3.3Å; C571-K573 HydrophobicContact CB-CB 4.14Å; C571-K573 HydrophobicContact CB-CD 3.98Å; C571-K573 HydrophobicContact CB-CG 4.11Å; K573-D723 IonicContact NZ-OD1 3.47Å; K573-D723 PolarHBondContact NZ-OD1 2.84Å; K573-D723 VanDerWaalsContact NZ-OD1 3.17Å; K573-D723 IonicContact NZ-OD2 3.59Å; K573-D723 PolarHBondContact NZ-OD2 3.18Å; K573-S726 PolarHBondContact NZ-OG 3.34Å; K573-L729 HydrophobicContact CB-CD1 3.98Å; K573-L729 HydrophobicContact CD-CD1 4.48Å
574	Y	93.7	Very high	94.2	Very high	13 Å²	13	23.2 Å²	23.2	5%	0.051	13%	0.13	C	C	.	.			trans	-106.7	-14.3	-175.6	-58	-87.5	0	0	0	115.5	A568 A569 T576 I577 G578 D612 Q615 I616 L648	A568-Y574 HydrophobicContact CB-CD1 3.83Å; A568-Y574 HydrophobicContact CB-CE1 4.24Å; A569-Y574 HydrophobicContact CB-CE1 3.99Å; Y574-T576 PolarHBondContact O-N 3.25Å; Y574-I577 HydrophobicContact CD1-CD1 3.91Å; Y574-I577 WeakPolarHBondContact O-CG1 3.5Å; Y574-I577 PolarHBondContact O-N 2.96Å; Y574-G578 PolarHBondContact O-N 3.19Å; Y574-D612 HydrophobicContact CD2-CB 4.11Å; Y574-D612 HydrophobicContact CE2-CB 3.87Å; Y574-D612 WeakPolarHBondContact CE2-OD1 3.48Å; Y574-D612 WeakPolarHBondContact CE2-OD2 3.41Å; Y574-D612 VanDerWaalsContact CZ-OD2 3.23Å; Y574-D612 PolarHBondContact OH-OD2 3.14Å; Y574-Q615 VanDerWaalsContact N-OE1 3.09Å; Y574-I616 HydrophobicContact CD1-CD1 4.46Å; Y574-I616 HydrophobicContact CD1-CG1 4.48Å; Y574-I616 HydrophobicContact CG-CG1 4.31Å; Y574-L648 HydrophobicContact CD1-CD2 4.34Å; Y574-L648 HydrophobicContact CE1-CD2 3.75Å
575	E	93.6	Very high	94.3	Very high	67 Å²	67	23.2 Å²	23.2	31%	0.313	13%	0.13	S	C	.	.	H	α-helix	trans	-59	-34.2	-178.8	-176.7	169.3	-175.8	0	0	113.1	G578 Q615 K618 G619	E575-G578 PolarHBondContact O-N 3.28Å; E575-Q615 WeakPolarHBondContact CA-O 3.36Å; E575-K618 WeakPolarHBondContact OE1-CE 3.32Å; E575-K618 IonicContact OE1-NZ 3.35Å; E575-K618 PolarHBondContact OE1-NZ 2.64Å; E575-K618 IonicContact OE2-NZ 3.83Å; E575-K618 PolarHBondContact OE2-NZ 2.84Å; E575-G619 WeakPolarHBondContact O-CA 3.35Å
576	T	95.7	Very high	94.5	Very high	38 Å²	38	22.8 Å²	22.8	23%	0.233	13%	0.127	C	C	.	.	H	α-helix	trans	-72.6	-33.2	179.4	56.8	0	0	0	0	113.6	Y574 G578 I579 D580 L729 P731	Y574-T576 PolarHBondContact O-N 3.25Å; T576-G578 VanDerWaalsContact C-N 3.31Å; T576-G578 PolarHBondContact O-N 2.72Å; T576-I579 WeakPolarHBondContact O-CB 3.38Å; T576-I579 PolarHBondContact O-N 3.33Å; T576-D580 PolarHBondContact O-N 3.35Å; T576-L729 WeakPolarHBondContact CB-O 3.22Å; T576-L729 WeakPolarHBondContact CG2-O 3.38Å; T576-L729 PolarHBondContact OG1-O 3.04Å; T576-P731 HydrophobicContact CG2-CG 3.84Å
577	I	96.2	Very high	94.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-75.2	-22	178.1	66.5	165	0	0	0	112.6	K564 I565 A568 Y574 I579 D580 L581 L650 L729	K564-I577 HydrophobicContact CD-CG2 4.45Å; K564-I577 HydrophobicContact CG-CG2 4.14Å; I565-I577 HydrophobicContact CG1-CD1 3.98Å; A568-I577 HydrophobicContact CB-CD1 3.92Å; A568-I577 HydrophobicContact CB-CG1 4.35Å; A568-I577 HydrophobicContact CB-CG2 3.94Å; Y574-I577 HydrophobicContact CD1-CD1 3.91Å; Y574-I577 WeakPolarHBondContact O-CG1 3.5Å; Y574-I577 PolarHBondContact O-N 2.96Å; I577-I579 VanDerWaalsContact C-N 3.34Å; I577-D580 PolarHBondContact O-N 3.48Å; I577-L581 PolarHBondContact O-N 2.94Å; I577-L650 HydrophobicContact CD1-CD1 3.61Å; I577-L650 HydrophobicContact CG1-CD1 4.19Å; I577-L729 HydrophobicContact CG2-CD2 4.07Å
578	G	96.1	Very high	94.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-40.1	168.1	0	0	0	0	0	112.1	Y574 E575 T576 L581 V582 G619 M620	Y574-G578 PolarHBondContact O-N 3.19Å; E575-G578 PolarHBondContact O-N 3.28Å; T576-G578 VanDerWaalsContact C-N 3.31Å; T576-G578 PolarHBondContact O-N 2.72Å; G578-L581 PolarHBondContact O-N 3.37Å; G578-V582 PolarHBondContact O-N 3.5Å; G578-G619 VanDerWaalsContact C-C 3.45Å; G578-M620 WeakPolarHBondContact O-CA 3.45Å
579	I	97.9	Very high	95	Very high	19 Å²	19	21.9 Å²	21.9	10%	0.097	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-44.6	173.9	-58.3	170	0	0	0	110.3	T576 I577 L581 V582 A583 G619 E622 P731 I734	T576-I579 WeakPolarHBondContact O-CB 3.38Å; T576-I579 PolarHBondContact O-N 3.33Å; I577-I579 VanDerWaalsContact C-N 3.34Å; I579-L581 VanDerWaalsContact C-N 3.3Å; I579-L581 PolarHBondContact O-N 2.94Å; I579-V582 PolarHBondContact O-N 3.34Å; I579-A583 WeakPolarHBondContact O-CB 3.46Å; I579-A583 PolarHBondContact O-N 3.02Å; I579-G619 VanDerWaalsContact CG1-O 3.22Å; I579-G619 WeakPolarHBondContact CG1-O 3.42Å; I579-G619 PolarHBondContact N-O 2.95Å; I579-E622 HydrophobicContact CD1-CG 4.16Å; I579-E622 HydrophobicContact CG1-CB 4.42Å; I579-E622 HydrophobicContact CG1-CG 4.47Å; I579-P731 HydrophobicContact CB-CB 4.1Å; I579-P731 HydrophobicContact CD1-CG 4.18Å; I579-P731 HydrophobicContact CG2-CB 3.86Å; I579-I734 HydrophobicContact CG2-CD1 4.21Å
580	D	97.5	Very high	95.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-53.4	-46.8	175.1	-77	-57.4	0	0	0	111.6	V561 K564 T576 I577 V582 A583 M584 T732	V561-D580 HydrophobicContact CG1-CB 3.55Å; K564-D580 WeakPolarHBondContact CD-OD2 3.44Å; K564-D580 WeakPolarHBondContact CE-OD2 3.35Å; K564-D580 IonicContact NZ-OD1 3.58Å; K564-D580 PolarHBondContact NZ-OD1 3.4Å; K564-D580 IonicContact NZ-OD2 2.73Å; K564-D580 PolarHBondContact NZ-OD2 3.01Å; T576-D580 PolarHBondContact O-N 3.35Å; I577-D580 PolarHBondContact O-N 3.48Å; D580-V582 VanDerWaalsContact C-N 3.33Å; D580-V582 PolarHBondContact O-N 2.83Å; D580-A583 WeakPolarHBondContact O-CB 3.32Å; D580-A583 PolarHBondContact O-N 3.12Å; D580-A583 VanDerWaalsContact O-N 3.11Å; D580-M584 VanDerWaalsContact O-CG 3.3Å; D580-M584 WeakPolarHBondContact O-CG 3.45Å; D580-M584 PolarHBondContact O-N 3.35Å; D580-T732 WeakPolarHBondContact OD1-CB 3.42Å; D580-T732 PolarHBondContact OD1-N 3.45Å; D580-T732 PolarHBondContact OD1-OG1 3.18Å
581	L	97.3	Very high	95.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-41.9	-176.4	-168.1	74.6	0	0	0	112.4	V561 I577 G578 I579 F599 M620 L650	V561-L581 HydrophobicContact CG1-CB 3.85Å; V561-L581 HydrophobicContact CG1-CD1 3.92Å; V561-L581 HydrophobicContact CG2-CD1 4.45Å; I577-L581 PolarHBondContact O-N 2.94Å; G578-L581 PolarHBondContact O-N 3.37Å; I579-L581 VanDerWaalsContact C-N 3.3Å; I579-L581 PolarHBondContact O-N 2.94Å; L581-F599 HydrophobicContact CD2-CE1 4.45Å; L581-F599 HydrophobicContact CD2-CZ 4.22Å; L581-F599 HydrophobicContact CG-CZ 4.15Å; L581-M620 HydrophobicContact CD2-CE 3.36Å; L581-L650 HydrophobicContact CD1-CB 4.02Å; L581-L650 HydrophobicContact CD2-CB 4.23Å
582	V	98	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-48.8	173.2	180	0	0	0	0	110	G578 I579 D580 M584 S585 V586 F599 M620 A627 I734	G578-V582 PolarHBondContact O-N 3.5Å; I579-V582 PolarHBondContact O-N 3.34Å; D580-V582 VanDerWaalsContact C-N 3.33Å; D580-V582 PolarHBondContact O-N 2.83Å; V582-M584 VanDerWaalsContact C-N 3.32Å; V582-M584 PolarHBondContact O-N 3.19Å; V582-S585 PolarHBondContact O-N 3.5Å; V582-S585 VanDerWaalsContact O-N 3.15Å; V582-V586 HydrophobicContact CG1-CG1 3.62Å; V582-V586 HydrophobicContact CG1-CG2 4.18Å; V582-V586 WeakPolarHBondContact O-CG1 3.31Å; V582-V586 VanDerWaalsContact O-CG2 3.3Å; V582-V586 WeakPolarHBondContact O-CG2 3.22Å; V582-V586 PolarHBondContact O-N 3.44Å; V582-F599 HydrophobicContact CB-CE2 4.28Å; V582-F599 HydrophobicContact CB-CZ 4.48Å; V582-F599 HydrophobicContact CG1-CD2 4.33Å; V582-F599 HydrophobicContact CG1-CE2 4.46Å; V582-F599 HydrophobicContact CG2-CD1 4.27Å; V582-F599 HydrophobicContact CG2-CD2 4.32Å; V582-F599 HydrophobicContact CG2-CE1 4.02Å; V582-F599 HydrophobicContact CG2-CE2 4.09Å; V582-F599 HydrophobicContact CG2-CG 4.39Å; V582-F599 HydrophobicContact CG2-CZ 3.91Å; V582-M620 HydrophobicContact CG2-CB 4.19Å; V582-A627 HydrophobicContact CG1-CB 4.4Å; V582-I734 HydrophobicContact CG1-CD1 4.28Å
583	A	98	Very high	96.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-55.8	-43.4	-178.3	0	0	0	0	0	113.1	I579 D580 S585 N587 T732 I734	I579-A583 WeakPolarHBondContact O-CB 3.46Å; I579-A583 PolarHBondContact O-N 3.02Å; D580-A583 WeakPolarHBondContact O-CB 3.32Å; D580-A583 PolarHBondContact O-N 3.12Å; D580-A583 VanDerWaalsContact O-N 3.11Å; A583-S585 VanDerWaalsContact C-N 3.35Å; A583-S585 PolarHBondContact O-N 3.25Å; A583-N587 VanDerWaalsContact O-CB 3.27Å; A583-N587 WeakPolarHBondContact O-CB 3.03Å; A583-N587 VanDerWaalsContact O-CG 3.29Å; A583-N587 PolarHBondContact O-N 3.46Å; A583-N587 VanDerWaalsContact O-N 3.16Å; A583-N587 PolarHBondContact O-ND2 3.21Å; A583-T732 HydrophobicContact CB-CG2 3.79Å; A583-T732 WeakPolarHBondContact CB-O 3.27Å; A583-I734 HydrophobicContact CB-CD1 4.21Å; A583-I734 HydrophobicContact CB-CG1 3.54Å
584	M	96.9	Very high	96.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.2	-45.7	177.7	-66.3	-55.8	-62.3	0	0	111.9	D559 D580 V582 N696 T732 T755	D559-M584 HydrophobicContact CB-CB 3.95Å; D559-M584 WeakPolarHBondContact OD2-CE 3.38Å; D580-M584 VanDerWaalsContact O-CG 3.3Å; D580-M584 WeakPolarHBondContact O-CG 3.45Å; D580-M584 PolarHBondContact O-N 3.35Å; V582-M584 VanDerWaalsContact C-N 3.32Å; V582-M584 PolarHBondContact O-N 3.19Å; M584-N696 VanDerWaalsContact CE-OD1 3.25Å; M584-N696 WeakPolarHBondContact CE-OD1 3.16Å; M584-T732 HydrophobicContact SD-CG2 4.46Å; M584-T755 HydrophobicContact CE-CG2 3.51Å; M584-T755 HydrophobicContact SD-CG2 4.33Å
585	S	97	Very high	96.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-82.5	-39.9	-177.6	-57.3	0	0	0	0	113.9	D559 V582 A583 D588 I589	D559-S585 PolarHBondContact N-OG 3.37Å; V582-S585 PolarHBondContact O-N 3.5Å; V582-S585 VanDerWaalsContact O-N 3.15Å; A583-S585 VanDerWaalsContact C-N 3.35Å; A583-S585 PolarHBondContact O-N 3.25Å; S585-D588 PolarHBondContact O-N 3.42Å; S585-I589 PolarHBondContact O-N 3.19Å
586	V	98.2	Very high	97.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-74.9	-34.1	-174.5	-57.8	0	0	0	0	112.7	V582 D588 I589 L590 P596 F599 A627 A654 I734 V736	V582-V586 HydrophobicContact CG1-CG1 3.62Å; V582-V586 HydrophobicContact CG1-CG2 4.18Å; V582-V586 WeakPolarHBondContact O-CG1 3.31Å; V582-V586 VanDerWaalsContact O-CG2 3.3Å; V582-V586 WeakPolarHBondContact O-CG2 3.22Å; V582-V586 PolarHBondContact O-N 3.44Å; V586-D588 VanDerWaalsContact C-N 3.32Å; V586-I589 VanDerWaalsContact O-CG1 3.3Å; V586-I589 WeakPolarHBondContact O-CG1 3.47Å; V586-L590 VanDerWaalsContact O-CB 3.24Å; V586-L590 WeakPolarHBondContact O-CB 3.49Å; V586-L590 PolarHBondContact O-N 3.3Å; V586-P596 HydrophobicContact CB-CB 4.35Å; V586-P596 HydrophobicContact CB-CG 3.97Å; V586-P596 HydrophobicContact CG1-CB 4.23Å; V586-P596 HydrophobicContact CG1-CG 4.39Å; V586-F599 HydrophobicContact CG1-CD2 4.5Å; V586-A627 HydrophobicContact CB-CB 4.26Å; V586-A627 HydrophobicContact CG1-CB 4.1Å; V586-A627 HydrophobicContact CG2-CB 3.96Å; V586-A654 HydrophobicContact CG1-CB 4Å; V586-I734 HydrophobicContact CG2-CG1 4.47Å; V586-I734 HydrophobicContact CG2-CG2 4.04Å; V586-V736 HydrophobicContact CB-CG2 4.24Å; V586-V736 HydrophobicContact CG2-CG2 3.94Å
587	N	97.9	Very high	97.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-68.5	-34.3	174.9	-70.7	-21.6	0	0	0	111.1	A583 L590 T591 K733 Y735 H753 M810	A583-N587 VanDerWaalsContact O-CB 3.27Å; A583-N587 WeakPolarHBondContact O-CB 3.03Å; A583-N587 VanDerWaalsContact O-CG 3.29Å; A583-N587 PolarHBondContact O-N 3.46Å; A583-N587 VanDerWaalsContact O-N 3.16Å; A583-N587 PolarHBondContact O-ND2 3.21Å; N587-L590 WeakPolarHBondContact O-CB 3.41Å; N587-L590 PolarHBondContact O-N 3.49Å; N587-T591 WeakPolarHBondContact O-CG2 3.22Å; N587-T591 PolarHBondContact O-N 2.88Å; N587-K733 PolarHBondContact ND2-O 3.47Å; N587-Y735 PolarHBondContact OD1-N 3.16Å; N587-H753 HydrophobicContact CB-CB 4.26Å; N587-H753 PolarHBondContact ND2-NE2 2.83Å; N587-H753 VanDerWaalsContact ND2-NE2 3.16Å; N587-M810 HydrophobicContact CB-SD 4.27Å
588	D	96.6	Very high	97.1	Very high	47 Å²	47	10.7 Å²	10.7	25%	0.251	5%	0.053	S	C	.	.	H	α-helix	trans	-65.4	-47.5	177.1	-91.9	33.2	0	0	0	112.1	S585 V586 L590 T591 H592 H753	S585-D588 PolarHBondContact O-N 3.42Å; V586-D588 VanDerWaalsContact C-N 3.32Å; D588-L590 VanDerWaalsContact C-N 3.31Å; D588-L590 PolarHBondContact O-N 3.07Å; D588-T591 WeakPolarHBondContact O-CB 3.47Å; D588-T591 PolarHBondContact O-N 3.01Å; D588-T591 PolarHBondContact O-OG1 2.71Å; D588-H592 PolarHBondContact O-ND1 3.14Å; D588-H753 WeakPolarHBondContact OD1-CB 3.48Å; D588-H753 IonicContact OD1-CE1 3.06Å; D588-H753 IonicContact OD1-CG 2.64Å; D588-H753 IonicContact OD1-ND1 3.56Å; D588-H753 PolarHBondContact OD1-ND1 3.34Å
589	I	97.5	Very high	97.1	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-67.6	-32.7	174.9	63.2	174.6	0	0	0	112.1	V555 S585 V586 T591 H592 A594 P596 A654	V555-I589 HydrophobicContact CG1-CB 4.08Å; V555-I589 HydrophobicContact CG1-CG2 4.02Å; S585-I589 PolarHBondContact O-N 3.19Å; V586-I589 VanDerWaalsContact O-CG1 3.3Å; V586-I589 WeakPolarHBondContact O-CG1 3.47Å; I589-T591 PolarHBondContact O-N 2.85Å; I589-H592 WeakPolarHBondContact O-CB 3.45Å; I589-H592 PolarHBondContact O-N 2.84Å; I589-H592 VanDerWaalsContact O-N 3.09Å; I589-A594 HydrophobicContact CB-CB 4.49Å; I589-A594 WeakPolarHBondContact O-CB 3.43Å; I589-P596 HydrophobicContact CD1-CB 3.98Å; I589-P596 HydrophobicContact CD1-CG 3.95Å; I589-P596 HydrophobicContact CG1-CG 4.25Å; I589-A654 HydrophobicContact CD1-CB 3.72Å; I589-A654 HydrophobicContact CG1-CB 4.45Å
590	L	97.8	Very high	96.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.8	-33.4	174.9	178.9	69.6	0	0	0	112.1	V586 N587 D588 H592 N593 V736 L739 L740 L743	V586-L590 VanDerWaalsContact O-CB 3.24Å; V586-L590 WeakPolarHBondContact O-CB 3.49Å; V586-L590 PolarHBondContact O-N 3.3Å; N587-L590 WeakPolarHBondContact O-CB 3.41Å; N587-L590 PolarHBondContact O-N 3.49Å; D588-L590 VanDerWaalsContact C-N 3.31Å; D588-L590 PolarHBondContact O-N 3.07Å; L590-H592 PolarHBondContact O-N 2.91Å; L590-H592 VanDerWaalsContact O-N 3.09Å; L590-N593 WeakPolarHBondContact O-CA 3.25Å; L590-N593 PolarHBondContact O-N 2.88Å; L590-V736 HydrophobicContact CD1-CG1 4.48Å; L590-V736 HydrophobicContact CD2-CB 4.43Å; L590-V736 HydrophobicContact CD2-CG2 4.11Å; L590-L739 HydrophobicContact CD2-CB 4.28Å; L590-L739 HydrophobicContact CD2-CD2 4Å; L590-L739 HydrophobicContact CD2-CG 4.46Å; L590-L739 HydrophobicContact CG-CD2 4.43Å; L590-L740 HydrophobicContact CD1-CB 3.94Å; L590-L740 HydrophobicContact CD1-CD1 4.07Å; L590-L743 HydrophobicContact CD1-CD1 3.82Å; L590-L743 HydrophobicContact CG-CD1 4.02Å; L590-L743 WeakPolarHBondContact O-CD1 3.46Å
591	T	97.1	Very high	96.6	Very high	20 Å²	20	13 Å²	13	12%	0.123	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.8	176.3	66.4	0	0	0	0	113.8	N587 D588 I589 N593 L666 A751 H753 M810	N587-T591 WeakPolarHBondContact O-CG2 3.22Å; N587-T591 PolarHBondContact O-N 2.88Å; D588-T591 WeakPolarHBondContact O-CB 3.47Å; D588-T591 PolarHBondContact O-N 3.01Å; D588-T591 PolarHBondContact O-OG1 2.71Å; I589-T591 PolarHBondContact O-N 2.85Å; T591-N593 PolarHBondContact O-N 2.93Å; T591-L666 WeakPolarHBondContact O-CB 3.27Å; T591-A751 WeakPolarHBondContact CB-O 3.28Å; T591-H753 HydrophobicContact CG2-CB 4.05Å; T591-M810 HydrophobicContact CG2-CE 4.11Å
592	H	95.4	Very high	96.4	Very high	68 Å²	68	17.4 Å²	17.4	32%	0.315	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	4	178.8	-65.3	84.1	0	0	0	113.4	V555 D588 I589 L590 A594 L666	V555-H592 HydrophobicContact CG1-CB 4.04Å; V555-H592 HydrophobicContact CG2-CB 4.17Å; D588-H592 PolarHBondContact O-ND1 3.14Å; I589-H592 WeakPolarHBondContact O-CB 3.45Å; I589-H592 PolarHBondContact O-N 2.84Å; I589-H592 VanDerWaalsContact O-N 3.09Å; L590-H592 PolarHBondContact O-N 2.91Å; L590-H592 VanDerWaalsContact O-N 3.09Å; H592-A594 VanDerWaalsContact C-N 3.33Å; H592-L666 PolarHBondContact O-N 2.82Å
593	N	95.8	Very high	96.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	40.5	-165.2	-169.6	20.9	0	0	0	111.2	L590 T591 L658 L664 L666 L743 R744	L590-N593 WeakPolarHBondContact O-CA 3.25Å; L590-N593 PolarHBondContact O-N 2.88Å; T591-N593 PolarHBondContact O-N 2.93Å; N593-L658 VanDerWaalsContact O-CB 3.32Å; N593-L658 WeakPolarHBondContact O-CB 3.48Å; N593-L664 WeakPolarHBondContact CB-O 3.46Å; N593-L664 PolarHBondContact ND2-O 3.08Å; N593-L666 HydrophobicContact CB-CD1 4.01Å; N593-L666 HydrophobicContact CB-CG 3.96Å; N593-L743 HydrophobicContact CB-CB 4.19Å; N593-L743 PolarHBondContact ND2-O 2.81Å; N593-L743 VanDerWaalsContact OD1-CB 3.25Å; N593-L743 WeakPolarHBondContact OD1-CB 3.45Å; N593-R744 VanDerWaalsContact CG-NH1 3.3Å; N593-R744 PolarHBondContact O-NH1 2.93Å; N593-R744 PolarHBondContact OD1-NH1 3.1Å
594	A	96.8	Very high	95.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-96.9	138	169.4	0	0	0	0	0	110.6	V555 I589 H592 P596 A657	V555-A594 HydrophobicContact CB-CB 3.82Å; V555-A594 HydrophobicContact CG2-CB 3.87Å; I589-A594 HydrophobicContact CB-CB 4.49Å; I589-A594 WeakPolarHBondContact O-CB 3.43Å; H592-A594 VanDerWaalsContact C-N 3.33Å; A594-P596 WeakPolarHBondContact O-CD 3.33Å; A594-A657 WeakPolarHBondContact CA-O 3.42Å
595	E	97.5	Very high	95.7	Very high	34 Å²	34	17.8 Å²	17.8	16%	0.159	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.7	166.6	179.9	-170.6	167.9	0	0	108.6	R527 Y549 L597 G656 A657 L740	R527-E595 IonicContact CZ-OE1 3.45Å; R527-E595 VanDerWaalsContact CZ-OE1 3.23Å; R527-E595 IonicContact NH1-OE1 2.68Å; R527-E595 PolarHBondContact NH1-OE1 3.38Å; R527-E595 IonicContact NH2-OE1 2.69Å; R527-E595 PolarHBondContact NH2-OE1 3.45Å; Y549-E595 WeakPolarHBondContact OH-CB 3.44Å; Y549-E595 PolarHBondContact OH-OE2 2.91Å; E595-L597 PolarHBondContact O-N 3.28Å; E595-G656 CarbonylContact O-C 3.48Å; E595-G656 WeakPolarHBondContact O-CA 3.29Å; E595-A657 PolarHBondContact N-O 3.02Å; E595-A657 PolarHBondContact O-N 2.96Å; E595-L740 HydrophobicContact CB-CD1 4.38Å; E595-L740 HydrophobicContact CB-CD2 3.75Å; E595-L740 HydrophobicContact CG-CD2 3.67Å
596	P	97.8	Very high	95.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	124	172	-24.6	36	0	0	0	111.6	R527 V586 I589 A594 C629 V736	R527-P596 PolarHBondContact NH1-O 3.3Å; R527-P596 VanDerWaalsContact NH1-O 3.09Å; V586-P596 HydrophobicContact CB-CB 4.35Å; V586-P596 HydrophobicContact CB-CG 3.97Å; V586-P596 HydrophobicContact CG1-CB 4.23Å; V586-P596 HydrophobicContact CG1-CG 4.39Å; I589-P596 HydrophobicContact CD1-CB 3.98Å; I589-P596 HydrophobicContact CD1-CG 3.95Å; I589-P596 HydrophobicContact CG1-CG 4.25Å; A594-P596 WeakPolarHBondContact O-CD 3.33Å; P596-C629 HydrophobicContact CB-CB 3.83Å; P596-V736 HydrophobicContact CG-CG1 3.93Å; P596-V736 HydrophobicContact CG-CG2 3.83Å
597	L	97.1	Very high	94.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-51.2	179.4	-65.2	-176.1	0	0	0	110.8	R527 F542 L544 A547 Y549 E595 C629 A630 V655 A657	R527-L597 WeakPolarHBondContact CD-O 3.44Å; F542-L597 HydrophobicContact CD1-CD1 4.3Å; F542-L597 HydrophobicContact CE1-CB 3.86Å; F542-L597 HydrophobicContact CE1-CD1 3.77Å; F542-L597 HydrophobicContact CE1-CD2 4.21Å; F542-L597 HydrophobicContact CE1-CG 4.17Å; F542-L597 HydrophobicContact CE2-CB 4.25Å; F542-L597 HydrophobicContact CZ-CB 3.72Å; F542-L597 HydrophobicContact CZ-CD1 4.43Å; F542-L597 HydrophobicContact CZ-CD2 4.2Å; F542-L597 HydrophobicContact CZ-CG 4.33Å; L544-L597 HydrophobicContact CD2-CD1 3.45Å; L544-L597 VanDerWaalsContact CD2-CD1 3.45Å; A547-L597 HydrophobicContact CB-CD2 4.44Å; Y549-L597 HydrophobicContact CE2-CD2 4.02Å; E595-L597 PolarHBondContact O-N 3.28Å; L597-C629 WeakPolarHBondContact O-CA 3.25Å; L597-C629 WeakPolarHBondContact O-CB 3.21Å; L597-A630 PolarHBondContact O-N 3.18Å; L597-V655 WeakPolarHBondContact CB-O 3.39Å; L597-V655 PolarHBondContact N-O 2.85Å; L597-A657 HydrophobicContact CD1-CB 3.57Å; L597-A657 HydrophobicContact CG-CB 4.14Å
598	F	95.2	Very high	94.1	Very high	33 Å²	33	22.7 Å²	22.7	15%	0.145	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.3	-179.8	62.8	-98.6	0	0	0	113.1	F542 A630 I632 V655	F542-F598 HydrophobicContact CB-CD1 3.84Å; F542-F598 HydrophobicContact CB-CE1 3.9Å; F542-F598 HydrophobicContact CD1-CD1 4.2Å; F542-F598 HydrophobicContact CD2-CB 4.09Å; F542-F598 AromaticContact CD2-CD1 3.69Å; F542-F598 HydrophobicContact CD2-CD1 3.69Å; F542-F598 HydrophobicContact CD2-CG 4.29Å; F542-F598 HydrophobicContact CE2-CB 4.35Å; F542-F598 HydrophobicContact CE2-CD1 4.31Å; F542-F598 AromaticContact CG-CD1 3.63Å; F542-F598 HydrophobicContact CG-CD1 3.63Å; F542-F598 HydrophobicContact CG-CE1 4.08Å; F598-A630 CarbonylContact C-O 3.58Å; F598-A630 WeakPolarHBondContact CA-O 3.42Å; F598-A630 WeakPolarHBondContact CB-O 3.29Å; F598-I632 HydrophobicContact CB-CD1 3.74Å; F598-I632 HydrophobicContact CB-CG1 4.01Å; F598-I632 HydrophobicContact CB-CG2 3.76Å; F598-I632 HydrophobicContact CD1-CD1 4.15Å; F598-I632 HydrophobicContact CD2-CD1 3.34Å; F598-I632 HydrophobicContact CD2-CG1 3.98Å; F598-I632 HydrophobicContact CE2-CD1 3.84Å; F598-I632 HydrophobicContact CG-CD1 3.5Å; F598-I632 HydrophobicContact CG-CG1 4.22Å; F598-I632 HydrophobicContact CZ-CD1 4.42Å; F598-V655 HydrophobicContact CD1-CB 4.19Å; F598-V655 HydrophobicContact CD2-CB 4.04Å; F598-V655 HydrophobicContact CD2-CG2 4.14Å; F598-V655 HydrophobicContact CE1-CB 3.77Å; F598-V655 HydrophobicContact CE1-CG1 3.87Å; F598-V655 HydrophobicContact CE1-CG2 4.32Å; F598-V655 HydrophobicContact CE2-CB 3.61Å; F598-V655 HydrophobicContact CE2-CG1 4.43Å; F598-V655 HydrophobicContact CE2-CG2 3.39Å; F598-V655 HydrophobicContact CG-CB 4.33Å; F598-V655 HydrophobicContact CZ-CB 3.47Å; F598-V655 VanDerWaalsContact CZ-CB 3.47Å; F598-V655 HydrophobicContact CZ-CG1 3.79Å; F598-V655 HydrophobicContact CZ-CG2 3.51Å; F598-V655 PolarHBondContact N-O 3.1Å; F598-V655 VanDerWaalsContact N-O 3.14Å; F598-V655 PolarHBondContact O-N 2.93Å
599	F	95.7	Very high	93.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144	179.4	-169.3	-90.5	0	0	0	109.8	L581 V582 V586 D601 A630 L631 I632 G652 F653 A654	L581-F599 HydrophobicContact CD2-CE1 4.45Å; L581-F599 HydrophobicContact CD2-CZ 4.22Å; L581-F599 HydrophobicContact CG-CZ 4.15Å; V582-F599 HydrophobicContact CB-CE2 4.28Å; V582-F599 HydrophobicContact CB-CZ 4.48Å; V582-F599 HydrophobicContact CG1-CD2 4.33Å; V582-F599 HydrophobicContact CG1-CE2 4.46Å; V582-F599 HydrophobicContact CG2-CD1 4.27Å; V582-F599 HydrophobicContact CG2-CD2 4.32Å; V582-F599 HydrophobicContact CG2-CE1 4.02Å; V582-F599 HydrophobicContact CG2-CE2 4.09Å; V582-F599 HydrophobicContact CG2-CG 4.39Å; V582-F599 HydrophobicContact CG2-CZ 3.91Å; V586-F599 HydrophobicContact CG1-CD2 4.5Å; F599-D601 HydrophobicContact CE1-CB 4.29Å; F599-A630 PolarHBondContact N-O 2.85Å; F599-L631 HydrophobicContact CD1-CD1 3.8Å; F599-I632 PolarHBondContact O-N 3.47Å; F599-I632 VanDerWaalsContact O-N 3.16Å; F599-G652 VanDerWaalsContact CZ-CA 3.44Å; F599-F653 CarbonylContact C-O 3.35Å; F599-F653 WeakPolarHBondContact CA-O 3.16Å; F599-A654 HydrophobicContact CD2-CB 4.01Å
600	L	92.8	Very high	92.9	Very high	52 Å²	52	27.1 Å²	27.1	27%	0.272	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.1	170.7	-64.9	171.3	0	0	0	109.6	I632 G633 F653	L600-I632 HydrophobicContact CD2-CD1 4.35Å; L600-I632 HydrophobicContact CD2-CG1 3.63Å; L600-I632 HydrophobicContact CG-CG1 4.34Å; L600-G633 VanDerWaalsContact CA-O 3.25Å; L600-G633 WeakPolarHBondContact CA-O 3.25Å; L600-G633 VanDerWaalsContact CD2-O 3.29Å; L600-G633 WeakPolarHBondContact CD2-O 3.44Å; L600-F653 HydrophobicContact CB-CB 4.3Å; L600-F653 HydrophobicContact CB-CD1 4.43Å; L600-F653 HydrophobicContact CD1-CD1 4.02Å; L600-F653 PolarHBondContact N-O 2.83Å; L600-F653 PolarHBondContact O-N 3.3Å
601	D	91.6	Very high	92.4	Very high	17 Å²	17	31.2 Å²	31.2	9%	0.091	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	154.7	174.5	64.7	-83.5	0	0	0	113.5	F599 M620 G633 G634 E635	F599-D601 HydrophobicContact CE1-CB 4.29Å; D601-M620 HydrophobicContact CB-CE 3.65Å; D601-M620 HydrophobicContact CB-SD 3.68Å; D601-G633 PolarHBondContact N-O 2.9Å; D601-G634 CarbonylContact O-C 3.51Å; D601-G634 WeakPolarHBondContact O-CA 3.29Å; D601-E635 PolarHBondContact O-N 3.45Å
602	Y	93	Very high	92.1	Very high	91 Å²	91	32.3 Å²	32.3	36%	0.357	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	112.4	165.6	-179.6	-97.5	0	0	0	108.2	A604 E635 A651	Y602-A604 HydrophobicContact CE1-CB 3.8Å; Y602-E635 HydrophobicContact CD2-CB 3.99Å; Y602-E635 HydrophobicContact CD2-CG 4.39Å; Y602-E635 HydrophobicContact CE2-CB 4.39Å; Y602-E635 HydrophobicContact CE2-CG 4.29Å; Y602-A651 PolarHBondContact N-O 2.92Å; Y602-A651 PolarHBondContact O-N 3.45Å
603	I	93	Very high	91.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.8	-179	-53.3	175.2	0	0	0	108.1	V605 I613 I616 V617 M620 E635 T636 A637 L650	I603-V605 HydrophobicContact CG2-CG1 4.14Å; I603-I613 HydrophobicContact CD1-CD1 4.47Å; I603-I613 HydrophobicContact CG2-CD1 3.55Å; I603-I616 HydrophobicContact CD1-CG2 3.95Å; I603-I616 HydrophobicContact CG1-CG2 4.49Å; I603-V617 HydrophobicContact CD1-CG2 3.79Å; I603-M620 HydrophobicContact CD1-CE 3.98Å; I603-M620 HydrophobicContact CD1-SD 4.49Å; I603-M620 HydrophobicContact CG1-CE 3.95Å; I603-E635 PolarHBondContact N-O 2.87Å; I603-T636 HydrophobicContact CB-CG2 4.46Å; I603-T636 CarbonylContact O-C 3.52Å; I603-T636 WeakPolarHBondContact O-CA 3.13Å; I603-A637 PolarHBondContact O-N 3.48Å; I603-L650 HydrophobicContact CB-CD2 4.06Å; I603-L650 HydrophobicContact CG1-CD2 3.76Å; I603-L650 HydrophobicContact CG2-CD2 3.77Å
604	A	93.6	Very high	91.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129	176.4	0	0	0	0	0	110.5	Y602 A637 L639 Y643 L648 D649	Y602-A604 HydrophobicContact CE1-CB 3.8Å; A604-A637 WeakPolarHBondContact CA-O 3.36Å; A604-L639 HydrophobicContact CB-CD1 4.19Å; A604-Y643 HydrophobicContact CB-CD2 4.36Å; A604-Y643 HydrophobicContact CB-CE2 3.54Å; A604-L648 CarbonylContact O-C 3.58Å; A604-L648 WeakPolarHBondContact O-CA 3.11Å; A604-L648 WeakPolarHBondContact O-CB 3.41Å; A604-D649 PolarHBondContact N-O 2.67Å; A604-D649 PolarHBondContact O-N 2.93Å
605	V	92.3	Very high	91.6	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.048	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.3	-176.8	-63.3	0	0	0	0	111.2	I603 I608 I613 A637 E638 L639 L648	I603-V605 HydrophobicContact CG2-CG1 4.14Å; V605-I608 HydrophobicContact CG2-CG1 3.98Å; V605-I613 HydrophobicContact CG1-CD1 4.09Å; V605-A637 PolarHBondContact N-O 2.82Å; V605-E638 HydrophobicContact CG2-CG 3.81Å; V605-E638 WeakPolarHBondContact O-CA 3.4Å; V605-L639 PolarHBondContact O-N 2.85Å; V605-L648 HydrophobicContact CG1-CB 3.78Å
606	N	89.3	Confident	91.4	Very high	29 Å²	29	33.8 Å²	33.8	16%	0.155	18%	0.176	C	C	.	.	S	Bend	trans	-68.3	-42.3	166.8	173	-98.5	0	0	0	112.5	Y643 A644 P645 E647	N606-Y643 PolarHBondContact ND2-O 3.11Å; N606-A644 WeakPolarHBondContact CB-O 3.33Å; N606-P645 WeakPolarHBondContact OD1-CA 3.49Å; N606-E647 PolarHBondContact N-O 2.93Å
607	A	85.5	Confident	91.2	Very high	56 Å²	56	33.8 Å²	33.8	46%	0.463	18%	0.177	S	C	.	.	S	Bend	trans	-153.8	148	174.9	0	0	0	0	0	107.3	E638	A607-E638 VanDerWaalsContact CA-OE1 3.32Å; A607-E638 WeakPolarHBondContact CA-OE1 3.19Å
608	I	84.1	Confident	91.1	Very high	18 Å²	18	38 Å²	38	9%	0.092	20%	0.195	C	C	.	.			trans	-69.9	133.7	179.3	-76.2	155.5	0	0	0	110.8	M510 A511 I514 V605 I613 T636 E638	M510-I608 HydrophobicContact CG-CB 4.36Å; M510-I608 HydrophobicContact CG-CG2 3.83Å; M510-I608 HydrophobicContact SD-CB 3.65Å; M510-I608 HydrophobicContact SD-CG2 3.41Å; M510-I608 WeakPolarHBondContact SD-CG2 3.4Å; A511-I608 HydrophobicContact CB-CD1 4.43Å; I514-I608 HydrophobicContact CD1-CB 4.32Å; I514-I608 HydrophobicContact CD1-CD1 3.71Å; I514-I608 HydrophobicContact CD1-CG1 4.02Å; I514-I608 HydrophobicContact CD1-CG2 3.39Å; I514-I608 HydrophobicContact CG1-CG2 4.33Å; V605-I608 HydrophobicContact CG2-CG1 3.98Å; I608-I613 HydrophobicContact CG2-CG1 4.42Å; I608-T636 HydrophobicContact CD1-CG2 4.41Å; I608-T636 HydrophobicContact CG1-CG2 4.3Å; I608-E638 HydrophobicContact CB-CG 4.39Å; I608-E638 VanDerWaalsContact CD1-CD 3.48Å; I608-E638 HydrophobicContact CD1-CG 3.59Å; I608-E638 HydrophobicContact CG1-CG 3.58Å; I608-E638 PolarHBondContact N-OE1 3.11Å
609	D	85.5	Confident	91.2	Very high	77 Å²	77	36.4 Å²	36.4	41%	0.412	19%	0.188	S	C	.	.			trans	-114.9	124	154.9	-172.1	-68.1	0	0	0	108.6	T611 D612 I613	D609-T611 VanDerWaalsContact C-N 3.27Å; D609-T611 PolarHBondContact O-N 2.99Å; D609-T611 WeakPolarHBondContact OD1-CA 3.28Å; D609-T611 WeakPolarHBondContact OD1-CB 3.3Å; D609-T611 PolarHBondContact OD1-N 3.25Å; D609-T611 PolarHBondContact OD1-OG1 3.16Å; D609-D612 HydrophobicContact CB-CB 4.19Å; D609-D612 PolarHBondContact O-N 2.79Å; D609-D612 PolarHBondContact OD1-N 2.89Å; D609-I613 VanDerWaalsContact O-CG1 3.29Å; D609-I613 WeakPolarHBondContact O-CG1 3.33Å; D609-I613 PolarHBondContact O-N 2.65Å
610	F	84.5	Confident	91.2	Very high	66 Å²	66	36.4 Å²	36.4	29%	0.289	19%	0.188	S	C	.	.	H	α-helix	trans	-58	-38.4	-179	-78.4	-84.6	0	0	0	112.9	M510 E513 I514 I517 E614	M510-F610 HydrophobicContact CE-CE2 4.31Å; M510-F610 HydrophobicContact CG-CD2 4.25Å; M510-F610 HydrophobicContact CG-CE1 4.29Å; M510-F610 HydrophobicContact CG-CE2 3.42Å; M510-F610 VanDerWaalsContact CG-CE2 3.42Å; M510-F610 HydrophobicContact CG-CZ 3.45Å; M510-F610 VanDerWaalsContact CG-CZ 3.45Å; M510-F610 HydrophobicContact SD-CD2 4.29Å; M510-F610 HydrophobicContact SD-CE2 3.86Å; M510-F610 HydrophobicContact SD-CZ 4.48Å; E513-F610 HydrophobicContact CB-CE1 3.99Å; E513-F610 HydrophobicContact CB-CZ 3.91Å; I514-F610 HydrophobicContact CG1-CD1 3.7Å; I514-F610 HydrophobicContact CG1-CE1 3.61Å; I517-F610 HydrophobicContact CD1-CD1 3.76Å; I517-F610 HydrophobicContact CD1-CE1 3.91Å; F610-E614 WeakPolarHBondContact O-CB 3.1Å; F610-E614 PolarHBondContact O-N 3.49Å
611	T	87.7	Confident	91.3	Very high	85 Å²	85	34 Å²	34	52%	0.521	18%	0.176	S	C	.	.	H	α-helix	trans	-70.9	-37.8	-175.4	-31.2	0	0	0	0	111.3	D609 Q615	D609-T611 VanDerWaalsContact C-N 3.27Å; D609-T611 PolarHBondContact O-N 2.99Å; D609-T611 WeakPolarHBondContact OD1-CA 3.28Å; D609-T611 WeakPolarHBondContact OD1-CB 3.3Å; D609-T611 PolarHBondContact OD1-N 3.25Å; D609-T611 PolarHBondContact OD1-OG1 3.16Å; T611-Q615 WeakPolarHBondContact O-CB 3.34Å; T611-Q615 VanDerWaalsContact O-CG 3.3Å; T611-Q615 WeakPolarHBondContact O-CG 3.46Å; T611-Q615 PolarHBondContact O-N 2.84Å; T611-Q615 PolarHBondContact O-NE2 2.83Å; T611-Q615 VanDerWaalsContact O-NE2 3.1Å
612	D	91.1	Very high	91.6	Very high	43 Å²	43	36.5 Å²	36.5	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-73.3	-46.3	178.3	-72	5.2	0	0	0	110.1	Y574 D609 Q615 I616	Y574-D612 HydrophobicContact CD2-CB 4.11Å; Y574-D612 HydrophobicContact CE2-CB 3.87Å; Y574-D612 WeakPolarHBondContact CE2-OD1 3.48Å; Y574-D612 WeakPolarHBondContact CE2-OD2 3.41Å; Y574-D612 VanDerWaalsContact CZ-OD2 3.23Å; Y574-D612 PolarHBondContact OH-OD2 3.14Å; D609-D612 HydrophobicContact CB-CB 4.19Å; D609-D612 PolarHBondContact O-N 2.79Å; D609-D612 PolarHBondContact OD1-N 2.89Å; D612-Q615 PolarHBondContact O-N 3.34Å; D612-I616 WeakPolarHBondContact O-CD1 3.47Å; D612-I616 VanDerWaalsContact O-CG1 3.22Å; D612-I616 WeakPolarHBondContact O-CG1 3.48Å; D612-I616 PolarHBondContact O-N 3.49Å
613	I	90.7	Very high	91.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-44.6	177.2	-62.5	-65.5	0	0	0	111.7	I514 L518 I603 V605 I608 D609 Q615 I616 V617 T636	I514-I613 HydrophobicContact CG2-CG2 3.95Å; L518-I613 HydrophobicContact CD1-CG2 4.46Å; I603-I613 HydrophobicContact CD1-CD1 4.47Å; I603-I613 HydrophobicContact CG2-CD1 3.55Å; V605-I613 HydrophobicContact CG1-CD1 4.09Å; I608-I613 HydrophobicContact CG2-CG1 4.42Å; D609-I613 VanDerWaalsContact O-CG1 3.29Å; D609-I613 WeakPolarHBondContact O-CG1 3.33Å; D609-I613 PolarHBondContact O-N 2.65Å; I613-Q615 PolarHBondContact O-N 3.2Å; I613-I616 PolarHBondContact O-N 2.87Å; I613-V617 HydrophobicContact CG2-CG2 4.37Å; I613-V617 WeakPolarHBondContact O-CG2 3.47Å; I613-V617 PolarHBondContact O-N 2.84Å; I613-T636 HydrophobicContact CD1-CG2 3.96Å
614	E	91.2	Very high	92	Very high	90 Å²	90	32.1 Å²	32.1	42%	0.421	17%	0.17	S	C	.	.	H	α-helix	trans	-60.1	-44.7	177.4	-174.3	-176.2	175.5	0	0	111.2	I517 L521 F610 K618	I517-E614 HydrophobicContact CG2-CG 4.34Å; L521-E614 HydrophobicContact CD1-CG 4.49Å; F610-E614 WeakPolarHBondContact O-CB 3.1Å; F610-E614 PolarHBondContact O-N 3.49Å; E614-K618 WeakPolarHBondContact O-CB 3.15Å; E614-K618 PolarHBondContact O-N 3.04Å
615	Q	94	Very high	92.2	Very high	42 Å²	42	36 Å²	36	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-47.5	175.5	-81.1	177.3	75.9	0	0	112.3	Y574 E575 T611 D612 I613 K618 G619	Y574-Q615 VanDerWaalsContact N-OE1 3.09Å; E575-Q615 WeakPolarHBondContact CA-O 3.36Å; T611-Q615 WeakPolarHBondContact O-CB 3.34Å; T611-Q615 VanDerWaalsContact O-CG 3.3Å; T611-Q615 WeakPolarHBondContact O-CG 3.46Å; T611-Q615 PolarHBondContact O-N 2.84Å; T611-Q615 PolarHBondContact O-NE2 2.83Å; T611-Q615 VanDerWaalsContact O-NE2 3.1Å; D612-Q615 PolarHBondContact O-N 3.34Å; I613-Q615 PolarHBondContact O-N 3.2Å; Q615-K618 PolarHBondContact O-N 3.44Å; Q615-G619 PolarHBondContact O-N 3.19Å
616	I	94.6	Very high	92.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-51.7	-179.7	-69.8	163.5	0	0	0	110.2	Y574 I603 D612 I613 G619 M620 L648 L650	Y574-I616 HydrophobicContact CD1-CD1 4.46Å; Y574-I616 HydrophobicContact CD1-CG1 4.48Å; Y574-I616 HydrophobicContact CG-CG1 4.31Å; I603-I616 HydrophobicContact CD1-CG2 3.95Å; I603-I616 HydrophobicContact CG1-CG2 4.49Å; D612-I616 WeakPolarHBondContact O-CD1 3.47Å; D612-I616 VanDerWaalsContact O-CG1 3.22Å; D612-I616 WeakPolarHBondContact O-CG1 3.48Å; D612-I616 PolarHBondContact O-N 3.49Å; I613-I616 PolarHBondContact O-N 2.87Å; I616-G619 WeakPolarHBondContact O-CA 3.18Å; I616-G619 PolarHBondContact O-N 3.01Å; I616-M620 HydrophobicContact CG2-CE 3.35Å; I616-M620 HydrophobicContact CG2-SD 4.02Å; I616-M620 WeakPolarHBondContact O-CG 3.38Å; I616-M620 PolarHBondContact O-N 2.99Å; I616-L648 HydrophobicContact CD1-CD1 4.38Å; I616-L648 HydrophobicContact CD1-CD2 4.02Å; I616-L650 HydrophobicContact CD1-CD2 4.38Å; I616-L650 HydrophobicContact CG2-CD1 4.19Å; I616-L650 HydrophobicContact CG2-CD2 3.96Å
617	V	93.2	Very high	92.8	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-71.8	-33.3	-176.4	178.4	0	0	0	0	112	L518 L521 I603 I613 G619 M620 A621 L631	L518-V617 HydrophobicContact CB-CG1 4.44Å; L518-V617 HydrophobicContact CD1-CB 4.41Å; L518-V617 HydrophobicContact CD1-CG1 4.23Å; L518-V617 HydrophobicContact CD1-CG2 3.86Å; L518-V617 HydrophobicContact CD2-CB 3.7Å; L518-V617 HydrophobicContact CD2-CG1 3.76Å; L518-V617 HydrophobicContact CD2-CG2 3.93Å; L518-V617 HydrophobicContact CG-CG1 4.34Å; L521-V617 HydrophobicContact CD1-CG1 4.26Å; I603-V617 HydrophobicContact CD1-CG2 3.79Å; I613-V617 HydrophobicContact CG2-CG2 4.37Å; I613-V617 WeakPolarHBondContact O-CG2 3.47Å; I613-V617 PolarHBondContact O-N 2.84Å; V617-G619 VanDerWaalsContact C-N 3.3Å; V617-G619 PolarHBondContact O-N 2.82Å; V617-M620 HydrophobicContact CG2-SD 4.18Å; V617-M620 PolarHBondContact O-N 2.84Å; V617-A621 WeakPolarHBondContact O-CB 3.46Å; V617-A621 PolarHBondContact O-N 3.43Å; V617-L631 HydrophobicContact CG1-CD2 4.04Å
618	K	94.9	Very high	93.3	Very high	87 Å²	87	40 Å²	40	38%	0.378	20%	0.197	S	C	.	.	H	α-helix	trans	-60.1	-42.5	169.7	-178	-174.4	176.4	-133.2	0	111.1	L521 E575 E614 Q615 A621 E622	L521-K618 HydrophobicContact CD1-CB 4.17Å; L521-K618 HydrophobicContact CD2-CB 4.47Å; L521-K618 HydrophobicContact CD2-CG 4.47Å; E575-K618 WeakPolarHBondContact OE1-CE 3.32Å; E575-K618 IonicContact OE1-NZ 3.35Å; E575-K618 PolarHBondContact OE1-NZ 2.64Å; E575-K618 IonicContact OE2-NZ 3.83Å; E575-K618 PolarHBondContact OE2-NZ 2.84Å; E614-K618 WeakPolarHBondContact O-CB 3.15Å; E614-K618 PolarHBondContact O-N 3.04Å; Q615-K618 PolarHBondContact O-N 3.44Å; K618-A621 PolarHBondContact O-N 2.57Å; K618-E622 PolarHBondContact O-N 3.37Å
619	G	96.5	Very high	93.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-46.4	172.6	0	0	0	0	0	113.2	E575 G578 I579 Q615 I616 V617 E622 G623	E575-G619 WeakPolarHBondContact O-CA 3.35Å; G578-G619 VanDerWaalsContact C-C 3.45Å; I579-G619 VanDerWaalsContact CG1-O 3.22Å; I579-G619 WeakPolarHBondContact CG1-O 3.42Å; I579-G619 PolarHBondContact N-O 2.95Å; Q615-G619 PolarHBondContact O-N 3.19Å; I616-G619 WeakPolarHBondContact O-CA 3.18Å; I616-G619 PolarHBondContact O-N 3.01Å; V617-G619 VanDerWaalsContact C-N 3.3Å; V617-G619 PolarHBondContact O-N 2.82Å; G619-E622 PolarHBondContact O-N 3.37Å; G619-G623 PolarHBondContact O-N 2.98Å
620	M	96.2	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-45.6	175.2	-66.1	160.9	173.8	0	0	111.5	G578 L581 V582 D601 I603 I616 V617 E622 G623 C624 L631 L650	G578-M620 WeakPolarHBondContact O-CA 3.45Å; L581-M620 HydrophobicContact CD2-CE 3.36Å; V582-M620 HydrophobicContact CG2-CB 4.19Å; D601-M620 HydrophobicContact CB-CE 3.65Å; D601-M620 HydrophobicContact CB-SD 3.68Å; I603-M620 HydrophobicContact CD1-CE 3.98Å; I603-M620 HydrophobicContact CD1-SD 4.49Å; I603-M620 HydrophobicContact CG1-CE 3.95Å; I616-M620 HydrophobicContact CG2-CE 3.35Å; I616-M620 HydrophobicContact CG2-SD 4.02Å; I616-M620 WeakPolarHBondContact O-CG 3.38Å; I616-M620 PolarHBondContact O-N 2.99Å; V617-M620 HydrophobicContact CG2-SD 4.18Å; V617-M620 PolarHBondContact O-N 2.84Å; M620-E622 VanDerWaalsContact C-N 3.29Å; M620-E622 PolarHBondContact O-N 3.35Å; M620-G623 PolarHBondContact O-N 3.29Å; M620-C624 WeakPolarHBondContact O-CB 3.45Å; M620-C624 PolarHBondContact O-N 3.5Å; M620-C624 PolarHBondContact O-SG 3.06Å; M620-C624 VanDerWaalsContact O-SG 3.4Å; M620-L631 HydrophobicContact CB-CD2 4.2Å; M620-L650 HydrophobicContact CE-CD2 4.33Å
621	A	95.2	Very high	94.7	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-37.2	178.5	0	0	0	0	0	112	L521 T525 V617 K618 K625 L631	L521-A621 HydrophobicContact CB-CB 4.3Å; T525-A621 HydrophobicContact CG2-CB 3.94Å; T525-A621 WeakPolarHBondContact CG2-O 3.39Å; V617-A621 WeakPolarHBondContact O-CB 3.46Å; V617-A621 PolarHBondContact O-N 3.43Å; K618-A621 PolarHBondContact O-N 2.57Å; A621-K625 VanDerWaalsContact O-CG 3.3Å; A621-K625 WeakPolarHBondContact O-CG 3.48Å; A621-K625 PolarHBondContact O-N 2.92Å; A621-K625 VanDerWaalsContact O-N 3.08Å; A621-L631 HydrophobicContact CB-CD2 4.42Å
622	E	97.4	Very high	94.7	Very high	69 Å²	69	29.1 Å²	29.1	32%	0.322	14%	0.139	S	C	.	.	H	α-helix	trans	-68.2	-43.8	173	-179.2	50.5	-146.7	0	0	112.3	I579 K618 G619 M620 C624 K625 Q626	I579-E622 HydrophobicContact CD1-CG 4.16Å; I579-E622 HydrophobicContact CG1-CB 4.42Å; I579-E622 HydrophobicContact CG1-CG 4.47Å; K618-E622 PolarHBondContact O-N 3.37Å; G619-E622 PolarHBondContact O-N 3.37Å; M620-E622 VanDerWaalsContact C-N 3.29Å; M620-E622 PolarHBondContact O-N 3.35Å; E622-C624 VanDerWaalsContact C-N 3.33Å; E622-C624 PolarHBondContact O-N 3.23Å; E622-K625 WeakPolarHBondContact O-CB 3.1Å; E622-K625 PolarHBondContact O-N 2.99Å; E622-Q626 WeakPolarHBondContact O-CG 3.42Å; E622-Q626 PolarHBondContact O-N 3.49Å; E622-Q626 PolarHBondContact OE1-NE2 3.12Å
623	G	97.7	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.7	-44.1	172.3	0	0	0	0	0	112.6	G619 M620 K625 Q626 A627 I734	G619-G623 PolarHBondContact O-N 2.98Å; M620-G623 PolarHBondContact O-N 3.29Å; G623-K625 PolarHBondContact O-N 2.89Å; G623-Q626 PolarHBondContact O-N 2.7Å; G623-A627 WeakPolarHBondContact O-CB 3.17Å; G623-A627 PolarHBondContact O-N 3.1Å; G623-I734 VanDerWaalsContact O-CD1 3.31Å; G623-I734 WeakPolarHBondContact O-CD1 3.42Å
624	C	97.4	Very high	93.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-41.3	176.9	-79.2	0	0	0	0	112.5	T525 M620 E622 A627 N628 C629	T525-C624 HydrophobicContact CG2-CB 3.85Å; M620-C624 WeakPolarHBondContact O-CB 3.45Å; M620-C624 PolarHBondContact O-N 3.5Å; M620-C624 PolarHBondContact O-SG 3.06Å; M620-C624 VanDerWaalsContact O-SG 3.4Å; E622-C624 VanDerWaalsContact C-N 3.33Å; E622-C624 PolarHBondContact O-N 3.23Å; C624-A627 CarbonylContact O-C 3.41Å; C624-A627 PolarHBondContact O-N 2.92Å; C624-N628 PolarHBondContact O-N 3.29Å; C624-C629 CarbonylContact C-O 3.55Å; C624-C629 WeakPolarHBondContact CB-O 3.43Å; C624-C629 PolarHBondContact O-N 2.82Å
625	K	96.8	Very high	93.5	Very high	81 Å²	81	29.4 Å²	29.4	35%	0.352	15%	0.154	S	C	.	.	H	α-helix	trans	-61.3	-43.8	172.4	-71.6	165.1	-174.2	171.3	0	112.2	Q524 T525 A621 E622 G623 A627 N628	Q524-K625 WeakPolarHBondContact O-CE 3.36Å; T525-K625 HydrophobicContact CG2-CG 4.46Å; A621-K625 VanDerWaalsContact O-CG 3.3Å; A621-K625 WeakPolarHBondContact O-CG 3.48Å; A621-K625 PolarHBondContact O-N 2.92Å; A621-K625 VanDerWaalsContact O-N 3.08Å; E622-K625 WeakPolarHBondContact O-CB 3.1Å; E622-K625 PolarHBondContact O-N 2.99Å; G623-K625 PolarHBondContact O-N 2.89Å; K625-A627 VanDerWaalsContact C-N 3.29Å; K625-A627 PolarHBondContact O-N 2.69Å; K625-N628 PolarHBondContact O-N 3.19Å
626	Q	96.8	Very high	93.2	Very high	78 Å²	78	28.9 Å²	28.9	36%	0.364	15%	0.153	S	C	.	.	H	α-helix	trans	-65	-34.6	177.2	-67.7	175.3	28.3	0	0	112.2	E622 G623 I734	E622-Q626 WeakPolarHBondContact O-CG 3.42Å; E622-Q626 PolarHBondContact O-N 3.49Å; E622-Q626 PolarHBondContact OE1-NE2 3.12Å; G623-Q626 PolarHBondContact O-N 2.7Å; Q626-I734 HydrophobicContact CB-CB 4.4Å; Q626-I734 HydrophobicContact CB-CD1 4.05Å; Q626-I734 HydrophobicContact CB-CG2 4.39Å
627	A	97.4	Very high	92.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-81.3	-10.5	176.3	0	0	0	0	0	114.5	V582 V586 G623 C624 K625 C629 I734 V736	V582-A627 HydrophobicContact CG1-CB 4.4Å; V586-A627 HydrophobicContact CB-CB 4.26Å; V586-A627 HydrophobicContact CG1-CB 4.1Å; V586-A627 HydrophobicContact CG2-CB 3.96Å; G623-A627 WeakPolarHBondContact O-CB 3.17Å; G623-A627 PolarHBondContact O-N 3.1Å; C624-A627 CarbonylContact O-C 3.41Å; C624-A627 PolarHBondContact O-N 2.92Å; K625-A627 VanDerWaalsContact C-N 3.29Å; K625-A627 PolarHBondContact O-N 2.69Å; A627-C629 VanDerWaalsContact C-N 3.3Å; A627-C629 PolarHBondContact O-N 2.96Å; A627-I734 HydrophobicContact CB-CG2 3.95Å; A627-V736 HydrophobicContact CB-CG2 4.18Å; A627-V736 WeakPolarHBondContact O-CG1 3.22Å
628	N	95.5	Very high	92.6	Very high	97 Å²	97	30.2 Å²	30.2	52%	0.519	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	38.9	-170.3	-168.2	61	0	0	0	113.5	R527 C624 K625	R527-N628 WeakPolarHBondContact CD-O 2.99Å; R527-N628 PolarHBondContact NH1-ND2 2.96Å; R527-N628 PolarHBondContact NH1-O 2.92Å; C624-N628 PolarHBondContact O-N 3.29Å; K625-N628 PolarHBondContact O-N 3.19Å
629	C	95.6	Very high	92.3	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.014	16%	0.157	C	C	.	.			trans	-120	157.7	172.4	62.8	0	0	0	0	111.5	P596 L597 C624 A627	P596-C629 HydrophobicContact CB-CB 3.83Å; L597-C629 WeakPolarHBondContact O-CA 3.25Å; L597-C629 WeakPolarHBondContact O-CB 3.21Å; C624-C629 CarbonylContact C-O 3.55Å; C624-C629 WeakPolarHBondContact CB-O 3.43Å; C624-C629 PolarHBondContact O-N 2.82Å; A627-C629 VanDerWaalsContact C-N 3.3Å; A627-C629 PolarHBondContact O-N 2.96Å
630	A	94.7	Very high	91.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.7	176.7	0	0	0	0	0	112.4	T525 R527 T530 L597 F598 F599 I632	T525-A630 WeakPolarHBondContact O-CA 3.3Å; T525-A630 WeakPolarHBondContact O-CB 3.23Å; R527-A630 HydrophobicContact CG-CB 4.19Å; T530-A630 HydrophobicContact CG2-CB 3.27Å; L597-A630 PolarHBondContact O-N 3.18Å; F598-A630 CarbonylContact C-O 3.58Å; F598-A630 WeakPolarHBondContact CA-O 3.42Å; F598-A630 WeakPolarHBondContact CB-O 3.29Å; F599-A630 PolarHBondContact N-O 2.85Å; A630-I632 HydrophobicContact CB-CG2 3.57Å; A630-I632 PolarHBondContact O-N 3.16Å
631	L	93.1	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	96.1	162.4	-176.7	59.7	0	0	0	107.6	C522 T525 F599 V617 M620 A621	C522-L631 VanDerWaalsContact SG-CD2 3.57Å; T525-L631 HydrophobicContact CG2-CB 4.11Å; T525-L631 PolarHBondContact OG1-N 3.37Å; F599-L631 HydrophobicContact CD1-CD1 3.8Å; V617-L631 HydrophobicContact CG1-CD2 4.04Å; M620-L631 HydrophobicContact CB-CD2 4.2Å; A621-L631 HydrophobicContact CB-CD2 4.42Å
632	I	89.7	Confident	90.5	Very high	16 Å²	16	40.5 Å²	40.5	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-7.6	-170.5	68.6	173.2	0	0	0	113.9	T530 L533 A540 F598 F599 L600 A630	T530-I632 HydrophobicContact CG2-CG2 4.12Å; L533-I632 HydrophobicContact CD2-CB 4.15Å; L533-I632 HydrophobicContact CD2-CG2 3.98Å; A540-I632 HydrophobicContact CB-CB 3.92Å; A540-I632 HydrophobicContact CB-CD1 3.75Å; A540-I632 HydrophobicContact CB-CG1 3.86Å; A540-I632 WeakPolarHBondContact CB-O 3.43Å; F598-I632 HydrophobicContact CB-CD1 3.74Å; F598-I632 HydrophobicContact CB-CG1 4.01Å; F598-I632 HydrophobicContact CB-CG2 3.76Å; F598-I632 HydrophobicContact CD1-CD1 4.15Å; F598-I632 HydrophobicContact CD2-CD1 3.34Å; F598-I632 HydrophobicContact CD2-CG1 3.98Å; F598-I632 HydrophobicContact CE2-CD1 3.84Å; F598-I632 HydrophobicContact CG-CD1 3.5Å; F598-I632 HydrophobicContact CG-CG1 4.22Å; F598-I632 HydrophobicContact CZ-CD1 4.42Å; F599-I632 PolarHBondContact O-N 3.47Å; F599-I632 VanDerWaalsContact O-N 3.16Å; L600-I632 HydrophobicContact CD2-CD1 4.35Å; L600-I632 HydrophobicContact CD2-CG1 3.63Å; L600-I632 HydrophobicContact CG-CG1 4.34Å; A630-I632 HydrophobicContact CB-CG2 3.57Å; A630-I632 PolarHBondContact O-N 3.16Å
633	G	80	Confident	90.1	Very high	14 Å²	14	39.4 Å²	39.4	14%	0.144	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159	-173.4	178.5	0	0	0	0	0	111.8	L600 D601	L600-G633 VanDerWaalsContact CA-O 3.25Å; L600-G633 WeakPolarHBondContact CA-O 3.25Å; L600-G633 VanDerWaalsContact CD2-O 3.29Å; L600-G633 WeakPolarHBondContact CD2-O 3.44Å; D601-G633 PolarHBondContact N-O 2.9Å
634	G	82.4	Confident	89.5	Confident	40 Å²	40	41.6 Å²	41.6	41%	0.412	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-178.5	-179.3	0	0	0	0	0	110.2	D601	D601-G634 CarbonylContact O-C 3.51Å; D601-G634 WeakPolarHBondContact O-CA 3.29Å
635	E	84.5	Confident	88.6	Confident	88 Å²	88	46.8 Å²	46.8	41%	0.411	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.1	177.5	-175.3	71.5	-172.7	0	0	109.8	D601 Y602 I603 A637	D601-E635 PolarHBondContact O-N 3.45Å; Y602-E635 HydrophobicContact CD2-CB 3.99Å; Y602-E635 HydrophobicContact CD2-CG 4.39Å; Y602-E635 HydrophobicContact CE2-CB 4.39Å; Y602-E635 HydrophobicContact CE2-CG 4.29Å; I603-E635 PolarHBondContact N-O 2.87Å; E635-A637 HydrophobicContact CG-CB 4.5Å
636	T	87.5	Confident	87.8	Confident	30 Å²	30	46.2 Å²	46.2	18%	0.184	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	106.5	169.7	-58.6	0	0	0	0	108.7	I603 I608 I613	I603-T636 HydrophobicContact CB-CG2 4.46Å; I603-T636 CarbonylContact O-C 3.52Å; I603-T636 WeakPolarHBondContact O-CA 3.13Å; I608-T636 HydrophobicContact CD1-CG2 4.41Å; I608-T636 HydrophobicContact CG1-CG2 4.3Å; I613-T636 HydrophobicContact CD1-CG2 3.96Å
637	A	87.3	Confident	87.3	Confident	15 Å²	15	45.8 Å²	45.8	12%	0.124	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.6	-173.8	0	0	0	0	0	111.8	I603 A604 V605 E635 L639	I603-A637 PolarHBondContact O-N 3.48Å; A604-A637 WeakPolarHBondContact CA-O 3.36Å; V605-A637 PolarHBondContact N-O 2.82Å; E635-A637 HydrophobicContact CG-CB 4.5Å; A637-L639 HydrophobicContact CB-CD1 4.32Å; A637-L639 HydrophobicContact CB-CG 4.14Å
638	E	87.2	Confident	87.1	Confident	14 Å²	14	46.8 Å²	46.8	7%	0.065	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.6	162.2	-66.6	177	116.6	0	0	109	V506 D507 V605 A607 I608 P640	V506-E638 WeakPolarHBondContact CA-OE2 3.26Å; V506-E638 HydrophobicContact CB-CB 4.3Å; V506-E638 HydrophobicContact CG1-CB 4.06Å; V506-E638 HydrophobicContact CG2-CB 4.04Å; V506-E638 WeakPolarHBondContact CG2-O 3.41Å; D507-E638 PolarHBondContact N-OE2 3.48Å; V605-E638 HydrophobicContact CG2-CG 3.81Å; V605-E638 WeakPolarHBondContact O-CA 3.4Å; A607-E638 VanDerWaalsContact CA-OE1 3.32Å; A607-E638 WeakPolarHBondContact CA-OE1 3.19Å; I608-E638 HydrophobicContact CB-CG 4.39Å; I608-E638 VanDerWaalsContact CD1-CD 3.48Å; I608-E638 HydrophobicContact CD1-CG 3.59Å; I608-E638 HydrophobicContact CG1-CG 3.58Å; I608-E638 PolarHBondContact N-OE1 3.11Å; E638-P640 WeakPolarHBondContact O-CD 3.27Å
639	L	88.6	Confident	87	Confident	52 Å²	52	45.2 Å²	45.2	27%	0.272	30%	0.298	S	S	.	.			trans	-124.7	61.5	-179.9	-62.9	175.9	0	0	0	109.9	A604 V605 A637 G641 L642 Y643	A604-L639 HydrophobicContact CB-CD1 4.19Å; V605-L639 PolarHBondContact O-N 2.85Å; A637-L639 HydrophobicContact CB-CD1 4.32Å; A637-L639 HydrophobicContact CB-CG 4.14Å; L639-G641 PolarHBondContact O-N 2.93Å; L639-L642 HydrophobicContact CB-CB 4.13Å; L639-L642 HydrophobicContact CB-CD2 4.36Å; L639-L642 HydrophobicContact CD1-CD2 4.03Å; L639-L642 PolarHBondContact O-N 2.78Å; L639-Y643 HydrophobicContact CB-CD2 4.03Å; L639-Y643 HydrophobicContact CB-CE2 4.23Å; L639-Y643 HydrophobicContact CD1-CE2 4.16Å; L639-Y643 PolarHBondContact O-N 3.32Å
640	P	80.1	Confident	87	Confident	49 Å²	49	45.2 Å²	45.2	32%	0.318	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-58.8	127.9	177.5	28.3	-38.3	0	0	0	110.5	A504 V506 E638	A504-P640 WeakPolarHBondContact O-CG 3.42Å; V506-P640 HydrophobicContact CG2-CG 4.12Å; E638-P640 WeakPolarHBondContact O-CD 3.27Å
641	G	81.9	Confident	87	Confident	79 Å²	79	46.7 Å²	46.7	81%	0.814	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-13.8	-176.3	0	0	0	0	0	114.8	L639	L639-G641 PolarHBondContact O-N 2.93Å
642	L	88.4	Confident	87.1	Confident	125 Å²	125	46.8 Å²	46.8	65%	0.654	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-48.2	162.4	-176.3	62.3	0	0	0	110.7	L639	L639-L642 HydrophobicContact CB-CB 4.13Å; L639-L642 HydrophobicContact CB-CD2 4.36Å; L639-L642 HydrophobicContact CD1-CD2 4.03Å; L639-L642 PolarHBondContact O-N 2.78Å
643	Y	88.5	Confident	87.4	Confident	47 Å²	47	49.6 Å²	49.6	18%	0.184	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-100.6	147.2	174.7	-62.1	-74.4	0	0	0	110.9	A604 N606 L639 D649	A604-Y643 HydrophobicContact CB-CD2 4.36Å; A604-Y643 HydrophobicContact CB-CE2 3.54Å; N606-Y643 PolarHBondContact ND2-O 3.11Å; L639-Y643 HydrophobicContact CB-CD2 4.03Å; L639-Y643 HydrophobicContact CB-CE2 4.23Å; L639-Y643 HydrophobicContact CD1-CE2 4.16Å; L639-Y643 PolarHBondContact O-N 3.32Å; Y643-D649 HydrophobicContact CE1-CB 3.77Å; Y643-D649 WeakPolarHBondContact OH-CB 3.37Å
644	A	85.3	Confident	88.2	Confident	45 Å²	45	49 Å²	49	37%	0.372	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-79.8	161.2	173.2	0	0	0	0	0	111.8	N606 G646 E647	N606-A644 WeakPolarHBondContact CB-O 3.33Å; A644-G646 PolarHBondContact O-N 3.06Å; A644-E647 HydrophobicContact CB-CG 3.96Å; A644-E647 VanDerWaalsContact CB-OE2 3.26Å; A644-E647 WeakPolarHBondContact CB-OE2 3.17Å; A644-E647 PolarHBondContact N-OE2 3.21Å; A644-E647 VanDerWaalsContact O-CB 3.26Å; A644-E647 WeakPolarHBondContact O-CB 3.2Å; A644-E647 WeakPolarHBondContact O-CG 3.26Å; A644-E647 PolarHBondContact O-N 3.41Å
645	P	79.7	Confident	88.9	Confident	110 Å²	110	47.5 Å²	47.5	71%	0.714	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	128	178.9	-27.3	36.4	0	0	0	113	N606 E647	N606-P645 WeakPolarHBondContact OD1-CA 3.49Å; P645-E647 VanDerWaalsContact C-N 3.33Å
646	G	80	Confident	89.5	Confident	69 Å²	69	43.3 Å²	43.3	71%	0.711	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	13.3	-173.8	0	0	0	0	0	114.8	A644	A644-G646 PolarHBondContact O-N 3.06Å
647	E	86.6	Confident	90	Very high	68 Å²	68	41.9 Å²	41.9	32%	0.318	27%	0.271	S	S	.	.			trans	-102.4	145.4	169.1	-55.2	-167.2	133.7	0	0	111.7	K566 N606 A644 P645	K566-E647 IonicContact NZ-OE1 3.18Å; K566-E647 PolarHBondContact NZ-OE1 3.09Å; N606-E647 PolarHBondContact N-O 2.93Å; A644-E647 HydrophobicContact CB-CG 3.96Å; A644-E647 VanDerWaalsContact CB-OE2 3.26Å; A644-E647 WeakPolarHBondContact CB-OE2 3.17Å; A644-E647 PolarHBondContact N-OE2 3.21Å; A644-E647 VanDerWaalsContact O-CB 3.26Å; A644-E647 WeakPolarHBondContact O-CB 3.2Å; A644-E647 WeakPolarHBondContact O-CG 3.26Å; A644-E647 PolarHBondContact O-N 3.41Å; P645-E647 VanDerWaalsContact C-N 3.33Å
648	L	91.7	Very high	90.4	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.12	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	158.2	173.7	70.6	90.2	0	0	0	110.6	I565 Y574 A604 V605 I616 L650	I565-L648 HydrophobicContact CD1-CD1 4.1Å; I565-L648 HydrophobicContact CG1-CD1 4.25Å; I565-L648 HydrophobicContact CG2-CD1 3.55Å; I565-L648 HydrophobicContact CG2-CG 3.73Å; Y574-L648 HydrophobicContact CD1-CD2 4.34Å; Y574-L648 HydrophobicContact CE1-CD2 3.75Å; A604-L648 CarbonylContact O-C 3.58Å; A604-L648 WeakPolarHBondContact O-CA 3.11Å; A604-L648 WeakPolarHBondContact O-CB 3.41Å; V605-L648 HydrophobicContact CG1-CB 3.78Å; I616-L648 HydrophobicContact CD1-CD1 4.38Å; I616-L648 HydrophobicContact CD1-CD2 4.02Å; L648-L650 HydrophobicContact CD1-CD1 4Å; L648-L650 HydrophobicContact CD1-CD2 4.03Å; L648-L650 HydrophobicContact CD1-CG 3.63Å
649	D	94.5	Very high	90.7	Very high	64 Å²	64	41.3 Å²	41.3	34%	0.342	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152.2	169.6	-166.9	25.6	0	0	0	110.5	A604 Y643	A604-D649 PolarHBondContact N-O 2.67Å; A604-D649 PolarHBondContact O-N 2.93Å; Y643-D649 HydrophobicContact CE1-CB 3.77Å; Y643-D649 WeakPolarHBondContact OH-CB 3.37Å
650	L	95.3	Very high	90.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123.5	-173.9	-63.9	177.1	0	0	0	111	G560 V561 I565 I577 L581 I603 I616 M620 L648	G560-L650 VanDerWaalsContact CA-O 3.25Å; G560-L650 WeakPolarHBondContact CA-O 3.22Å; V561-L650 HydrophobicContact CG2-CB 3.99Å; V561-L650 HydrophobicContact CG2-CD1 3.96Å; I565-L650 HydrophobicContact CD1-CB 4.2Å; I565-L650 HydrophobicContact CD1-CD1 4.44Å; I565-L650 HydrophobicContact CD1-CG 4.16Å; I565-L650 HydrophobicContact CG1-CD1 4.36Å; I577-L650 HydrophobicContact CD1-CD1 3.61Å; I577-L650 HydrophobicContact CG1-CD1 4.19Å; L581-L650 HydrophobicContact CD1-CB 4.02Å; L581-L650 HydrophobicContact CD2-CB 4.23Å; I603-L650 HydrophobicContact CB-CD2 4.06Å; I603-L650 HydrophobicContact CG1-CD2 3.76Å; I603-L650 HydrophobicContact CG2-CD2 3.77Å; I616-L650 HydrophobicContact CD1-CD2 4.38Å; I616-L650 HydrophobicContact CG2-CD1 4.19Å; I616-L650 HydrophobicContact CG2-CD2 3.96Å; M620-L650 HydrophobicContact CE-CD2 4.33Å; L648-L650 HydrophobicContact CD1-CD1 4Å; L648-L650 HydrophobicContact CD1-CD2 4.03Å; L648-L650 HydrophobicContact CD1-CG 3.63Å
651	A	95.2	Very high	91	Very high	31 Å²	31	46.4 Å²	46.4	26%	0.256	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.9	169.3	0	0	0	0	0	110.8	Y602	Y602-A651 PolarHBondContact N-O 2.92Å; Y602-A651 PolarHBondContact O-N 3.45Å
652	G	94.9	Very high	91.3	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.9	177.8	0	0	0	0	0	111.4	T558 D559 F599	T558-G652 WeakPolarHBondContact CA-O 3.49Å; T558-G652 WeakPolarHBondContact CB-O 3.44Å; T558-G652 PolarHBondContact OG1-O 2.92Å; D559-G652 PolarHBondContact N-O 2.91Å; D559-G652 PolarHBondContact O-N 2.85Å; F599-G652 VanDerWaalsContact CZ-CA 3.44Å
653	F	95.8	Very high	91.4	Very high	76 Å²	76	44.2 Å²	44.2	33%	0.333	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	111.2	175.5	178.9	-95.4	0	0	0	109.9	G557 F599 L600 V655	G557-F653 CarbonylContact O-C 3.49Å; G557-F653 WeakPolarHBondContact O-CA 3.26Å; F599-F653 CarbonylContact C-O 3.35Å; F599-F653 WeakPolarHBondContact CA-O 3.16Å; L600-F653 HydrophobicContact CB-CB 4.3Å; L600-F653 HydrophobicContact CB-CD1 4.43Å; L600-F653 HydrophobicContact CD1-CD1 4.02Å; L600-F653 PolarHBondContact N-O 2.83Å; L600-F653 PolarHBondContact O-N 3.3Å; F653-V655 HydrophobicContact CD1-CG2 4Å; F653-V655 HydrophobicContact CE1-CG2 3.26Å; F653-V655 HydrophobicContact CZ-CG2 3.81Å
654	A	97.3	Very high	91.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.5	178	0	0	0	0	0	110.9	S556 G557 V586 I589 F599	S556-A654 CarbonylContact C-O 3.49Å; S556-A654 VanDerWaalsContact CA-O 3.28Å; S556-A654 WeakPolarHBondContact CA-O 3.37Å; G557-A654 PolarHBondContact N-O 3.31Å; G557-A654 PolarHBondContact O-N 3.02Å; V586-A654 HydrophobicContact CG1-CB 4Å; I589-A654 HydrophobicContact CD1-CB 3.72Å; I589-A654 HydrophobicContact CG1-CB 4.45Å; F599-A654 HydrophobicContact CD2-CB 4.01Å
655	V	97.2	Very high	91.7	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.8	169.3	-177.6	0	0	0	0	109.2	L554 V555 L597 F598 F653	L554-V655 HydrophobicContact CD2-CG1 4.49Å; V555-V655 WeakPolarHBondContact O-CA 3.41Å; L597-V655 WeakPolarHBondContact CB-O 3.39Å; L597-V655 PolarHBondContact N-O 2.85Å; F598-V655 HydrophobicContact CD1-CB 4.19Å; F598-V655 HydrophobicContact CD2-CB 4.04Å; F598-V655 HydrophobicContact CD2-CG2 4.14Å; F598-V655 HydrophobicContact CE1-CB 3.77Å; F598-V655 HydrophobicContact CE1-CG1 3.87Å; F598-V655 HydrophobicContact CE1-CG2 4.32Å; F598-V655 HydrophobicContact CE2-CB 3.61Å; F598-V655 HydrophobicContact CE2-CG1 4.43Å; F598-V655 HydrophobicContact CE2-CG2 3.39Å; F598-V655 HydrophobicContact CG-CB 4.33Å; F598-V655 HydrophobicContact CZ-CB 3.47Å; F598-V655 VanDerWaalsContact CZ-CB 3.47Å; F598-V655 HydrophobicContact CZ-CG1 3.79Å; F598-V655 HydrophobicContact CZ-CG2 3.51Å; F598-V655 PolarHBondContact N-O 3.1Å; F598-V655 VanDerWaalsContact N-O 3.14Å; F598-V655 PolarHBondContact O-N 2.93Å; F653-V655 HydrophobicContact CD1-CG2 4Å; F653-V655 HydrophobicContact CE1-CG2 3.26Å; F653-V655 HydrophobicContact CZ-CG2 3.81Å
656	G	97.6	Very high	92.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	173.1	174.2	0	0	0	0	0	113.1	L554 V555 E595	L554-G656 CarbonylContact C-O 3.16Å; L554-G656 WeakPolarHBondContact CA-O 3.41Å; V555-G656 PolarHBondContact N-O 3.49Å; V555-G656 PolarHBondContact O-N 3.41Å; E595-G656 CarbonylContact O-C 3.48Å; E595-G656 WeakPolarHBondContact O-CA 3.29Å
657	A	97.4	Very high	92.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.5	-178.1	0	0	0	0	0	114.2	Y549 P552 L553 L554 A594 E595 L597 R744	Y549-A657 HydrophobicContact CD1-CB 3.98Å; Y549-A657 HydrophobicContact CD2-CB 4.26Å; Y549-A657 HydrophobicContact CE1-CB 3.76Å; Y549-A657 HydrophobicContact CE2-CB 4.08Å; Y549-A657 HydrophobicContact CG-CB 4.24Å; Y549-A657 PolarHBondContact OH-O 3.32Å; P552-A657 HydrophobicContact CB-CB 4.46Å; L553-A657 WeakPolarHBondContact O-CA 3.5Å; L554-A657 HydrophobicContact CD2-CB 3.98Å; A594-A657 WeakPolarHBondContact CA-O 3.42Å; E595-A657 PolarHBondContact N-O 3.02Å; E595-A657 PolarHBondContact O-N 2.96Å; L597-A657 HydrophobicContact CD1-CB 3.57Å; L597-A657 HydrophobicContact CG-CB 4.14Å; A657-R744 PolarHBondContact O-NH2 3.01Å
658	L	94.6	Very high	92.9	Very high	3 Å²	3	39 Å²	39	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.5	167	67.4	100.1	0	0	0	109.4	L553 V555 N593 D663	L553-L658 HydrophobicContact CB-CD1 4Å; L553-L658 HydrophobicContact CB-CG 3.93Å; L553-L658 HydrophobicContact CD1-CD1 3.9Å; L553-L658 PolarHBondContact N-O 2.62Å; L553-L658 PolarHBondContact O-N 2.73Å; V555-L658 HydrophobicContact CG2-CD2 4.07Å; N593-L658 VanDerWaalsContact O-CB 3.32Å; N593-L658 WeakPolarHBondContact O-CB 3.48Å; L658-D663 HydrophobicContact CB-CB 3.92Å; L658-D663 HydrophobicContact CD1-CB 4.2Å
659	E	94.6	Very high	92.3	Very high	14 Å²	14	39.8 Å²	39.8	7%	0.065	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.6	-171.9	-179.7	60	-79.9	0	0	111.5	Y549 Q550 Y551 G661 R662 D663	Y549-E659 WeakPolarHBondContact CA-OE2 3.26Å; Y549-E659 HydrophobicContact CD1-CB 4.07Å; Y549-E659 HydrophobicContact CE1-CB 4.23Å; Q550-E659 PolarHBondContact N-OE2 2.68Å; Y551-E659 WeakPolarHBondContact CA-OE1 3.45Å; Y551-E659 VanDerWaalsContact CB-OE1 3.31Å; Y551-E659 WeakPolarHBondContact CB-OE1 3.12Å; Y551-E659 PolarHBondContact N-OE1 2.67Å; Y551-E659 PolarHBondContact N-OE2 3.02Å; Y551-E659 VanDerWaalsContact O-OE1 3.13Å; E659-G661 PolarHBondContact O-N 3.03Å; E659-R662 HydrophobicContact CB-CB 4.04Å; E659-R662 VanDerWaalsContact CB-CZ 3.45Å; E659-R662 HydrophobicContact CG-CB 3.9Å; E659-R662 PolarHBondContact O-N 3.16Å; E659-D663 WeakPolarHBondContact CB-OD2 3.28Å; E659-D663 PolarHBondContact N-OD2 3.05Å; E659-D663 PolarHBondContact O-N 3.34Å
660	K	89.6	Confident	90.7	Very high	117 Å²	117	42.5 Å²	42.5	51%	0.509	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	131.1	-178.6	-75.1	171.2	-166.6	165.4	0	110.3	Y551 L553 R662	Y551-K660 VanDerWaalsContact O-CB 3.3Å; Y551-K660 WeakPolarHBondContact O-CB 3.44Å; Y551-K660 VanDerWaalsContact O-CD 3.24Å; Y551-K660 WeakPolarHBondContact O-CD 3.47Å; Y551-K660 WeakPolarHBondContact O-CG 3.4Å; Y551-K660 PolarHBondContact O-N 2.95Å; L553-K660 HydrophobicContact CD1-CG 3.91Å; L553-K660 VanDerWaalsContact CD2-CE 3.43Å; L553-K660 HydrophobicContact CG-CD 4.22Å; L553-K660 VanDerWaalsContact CG-CE 3.42Å; L553-K660 HydrophobicContact CG-CG 3.75Å; K660-R662 PolarHBondContact O-N 2.78Å
661	G	85.2	Confident	89.1	Confident	92 Å²	92	52 Å²	52	95%	0.948	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-21.3	178.6	0	0	0	0	0	114.7	E659	E659-G661 PolarHBondContact O-N 3.03Å
662	R	87.9	Confident	87.7	Confident	141 Å²	141	51.5 Å²	51.5	53%	0.532	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-50.1	169.2	-172.5	-172.1	73.3	-156.7	-2.6	111.7	E659 K660	E659-R662 HydrophobicContact CB-CB 4.04Å; E659-R662 VanDerWaalsContact CB-CZ 3.45Å; E659-R662 HydrophobicContact CG-CB 3.9Å; E659-R662 PolarHBondContact O-N 3.16Å; K660-R662 PolarHBondContact O-N 2.78Å
663	D	90.7	Very high	86	Confident	16 Å²	16	58 Å²	58	9%	0.086	30%	0.302	C	S	.	.	S	Bend	trans	-102.8	135.8	-168.1	-58.5	-27.3	0	0	0	111.5	L658 E659 R744	L658-D663 HydrophobicContact CB-CB 3.92Å; L658-D663 HydrophobicContact CD1-CB 4.2Å; E659-D663 WeakPolarHBondContact CB-OD2 3.28Å; E659-D663 PolarHBondContact N-OD2 3.05Å; E659-D663 PolarHBondContact O-N 3.34Å; D663-R744 VanDerWaalsContact CG-CZ 3.48Å; D663-R744 VanDerWaalsContact OD1-CD 3.26Å; D663-R744 WeakPolarHBondContact OD1-CD 3.42Å; D663-R744 IonicContact OD1-CZ 3.93Å; D663-R744 IonicContact OD1-NE 3.84Å; D663-R744 IonicContact OD2-CZ 2.94Å; D663-R744 IonicContact OD2-NE 3.69Å; D663-R744 PolarHBondContact OD2-NE 2.82Å; D663-R744 IonicContact OD2-NH1 3.95Å; D663-R744 PolarHBondContact OD2-NH1 3.49Å; D663-R744 IonicContact OD2-NH2 3.38Å; D663-R744 PolarHBondContact OD2-NH2 3.34Å
664	L	88.6	Confident	84.3	Confident	53 Å²	53	57.6 Å²	57.6	28%	0.277	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-79.8	123.9	177.2	-66.1	-177.7	0	0	0	111.2	N593 L666 L668	N593-L664 WeakPolarHBondContact CB-O 3.46Å; N593-L664 PolarHBondContact ND2-O 3.08Å; L664-L666 PolarHBondContact O-N 2.83Å; L664-L668 HydrophobicContact CB-CD2 4.41Å; L664-L668 HydrophobicContact CD1-CD1 4.28Å
665	K	90.6	Very high	82.6	Confident	136 Å²	136	63.3 Å²	63.3	59%	0.591	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-70.6	121	168.6	179.1	177	179.4	174.1	0	110.3	L668	K665-L668 WeakPolarHBondContact O-CD2 3.45Å
666	L	92.9	Very high	80.9	Confident	3 Å²	3	73 Å²	73	2%	0.016	37%	0.367	C	S	.	.	S	Bend	trans	-92.3	156.6	173.3	-58.9	-175.9	0	0	0	111.5	T591 H592 N593 L664 L668 L743 V748	T591-L666 WeakPolarHBondContact O-CB 3.27Å; H592-L666 PolarHBondContact O-N 2.82Å; N593-L666 HydrophobicContact CB-CD1 4.01Å; N593-L666 HydrophobicContact CB-CG 3.96Å; L664-L666 PolarHBondContact O-N 2.83Å; L666-L668 HydrophobicContact CD2-CD1 4.4Å; L666-L668 HydrophobicContact CD2-CD2 4.07Å; L666-L668 HydrophobicContact CD2-CG 3.79Å; L666-L743 HydrophobicContact CD1-CD2 3.95Å; L666-V748 HydrophobicContact CD1-CG1 4.4Å; L666-V748 WeakPolarHBondContact CD2-O 3.27Å
667	P	92.8	Very high	79.9	Confident	34 Å²	34	75 Å²	75	22%	0.221	38%	0.378	C	S	.	.	S	Bend	cis	-74.7	152.6	-9.2	31	-35.3	0	0	0	113.5	T669 I679 A750 V766	P667-T669 HydrophobicContact CB-CG2 4.13Å; P667-T669 HydrophobicContact CG-CG2 3.89Å; P667-T669 PolarHBondContact O-N 2.92Å; P667-T669 VanDerWaalsContact O-N 3.08Å; P667-I679 HydrophobicContact CB-CD1 4.42Å; P667-A750 HydrophobicContact CB-CB 3.87Å; P667-V766 HydrophobicContact CB-CB 3.96Å; P667-V766 HydrophobicContact CB-CG1 4.3Å; P667-V766 HydrophobicContact CG-CB 4.14Å; P667-V766 HydrophobicContact CG-CG1 4.27Å
668	L	87.3	Confident	79.4	Confident	5 Å²	5	77.6 Å²	77.6	3%	0.026	39%	0.387	C	S	.	.			trans	-78.7	89.8	178.2	-60.1	-175.1	0	0	0	111	L664 K665 L666 S672 N677 R678 I679 K749	L664-L668 HydrophobicContact CB-CD2 4.41Å; L664-L668 HydrophobicContact CD1-CD1 4.28Å; K665-L668 WeakPolarHBondContact O-CD2 3.45Å; L666-L668 HydrophobicContact CD2-CD1 4.4Å; L666-L668 HydrophobicContact CD2-CD2 4.07Å; L666-L668 HydrophobicContact CD2-CG 3.79Å; L668-S672 WeakPolarHBondContact CA-OG 3.27Å; L668-N677 WeakPolarHBondContact CB-O 3.42Å; L668-N677 HydrophobicContact CD1-CB 4.16Å; L668-N677 WeakPolarHBondContact CD1-O 3.46Å; L668-R678 WeakPolarHBondContact O-CA 3.22Å; L668-I679 PolarHBondContact O-N 3.48Å; L668-I679 VanDerWaalsContact O-N 3.1Å; L668-K749 HydrophobicContact CB-CB 4.47Å; L668-K749 HydrophobicContact CD1-CB 4.46Å; L668-K749 HydrophobicContact CD1-CG 4.42Å; L668-K749 PolarHBondContact N-O 2.86Å
669	T	77.8	Confident	79.3	Confident	38 Å²	38	78 Å²	78	23%	0.233	39%	0.389	C	S	.	.			trans	-111.9	-176.4	-173.5	59.2	0	0	0	0	111.9	P667 K671 S672 R678	P667-T669 HydrophobicContact CB-CG2 4.13Å; P667-T669 HydrophobicContact CG-CG2 3.89Å; P667-T669 PolarHBondContact O-N 2.92Å; P667-T669 VanDerWaalsContact O-N 3.08Å; T669-K671 PolarHBondContact O-N 3.24Å; T669-K671 VanDerWaalsContact O-N 3.15Å; T669-S672 PolarHBondContact N-OG 3.46Å; T669-S672 VanDerWaalsContact N-OG 3.08Å; T669-S672 VanDerWaalsContact O-CB 3.26Å; T669-S672 WeakPolarHBondContact O-CB 3.42Å; T669-S672 PolarHBondContact O-N 3.5Å; T669-S672 PolarHBondContact O-OG 3.16Å; T669-R678 WeakPolarHBondContact O-CD 3.48Å; T669-R678 PolarHBondContact O-NE 3.39Å; T669-R678 VanDerWaalsContact O-NE 3.11Å
670	E	61.7	Low	79.2	Confident	121 Å²	121	81.5 Å²	81.5	57%	0.565	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26	175.7	-68.6	178.9	-162.7	0	0	114	S672 R678 Q770	E670-S672 VanDerWaalsContact C-N 3.3Å; E670-R678 PolarHBondContact O-NH2 2.88Å; E670-Q770 PolarHBondContact OE1-NE2 2.87Å
671	K	62.1	Low	79.4	Confident	201 Å²	201	81.2 Å²	81.2	87%	0.874	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.9	175.7	-62.4	-177.8	-178.1	175.4	0	113.4	T669	T669-K671 PolarHBondContact O-N 3.24Å; T669-K671 VanDerWaalsContact O-N 3.15Å
672	S	65	Low	79.9	Confident	21 Å²	21	78.6 Å²	78.6	15%	0.147	38%	0.378	C	S	.	.	S	Bend	trans	-75.9	134.2	176.5	-57.7	0	0	0	0	110.8	L668 T669 E670 N674 R678	L668-S672 WeakPolarHBondContact CA-OG 3.27Å; T669-S672 PolarHBondContact N-OG 3.46Å; T669-S672 VanDerWaalsContact N-OG 3.08Å; T669-S672 VanDerWaalsContact O-CB 3.26Å; T669-S672 WeakPolarHBondContact O-CB 3.42Å; T669-S672 PolarHBondContact O-N 3.5Å; T669-S672 PolarHBondContact O-OG 3.16Å; E670-S672 VanDerWaalsContact C-N 3.3Å; S672-N674 VanDerWaalsContact C-N 3.3Å; S672-N674 PolarHBondContact O-N 3.3Å; S672-R678 PolarHBondContact O-NH2 2.96Å; S672-R678 VanDerWaalsContact O-NH2 3.14Å
673	T	58.7	Low	80.3	Confident	137 Å²	137	72 Å²	72	84%	0.84	35%	0.353	S	S	*	.	S	Bend	trans	-62.3	-35.5	-178.1	48.5	0	0	0	0	112.4	H675	T673-H675 PolarHBondContact O-N 3.2Å; T673-H675 VanDerWaalsContact O-N 3.16Å; T673-H675 PolarHBondContact O-ND1 3.36Å
674	N	61.8	Low	80.7	Confident	69 Å²	69	71.2 Å²	71.2	37%	0.369	35%	0.349	S	S	.	.			trans	-80.5	94.1	176.3	-166.1	-6	0	0	0	111.1	S672 Y676	S672-N674 VanDerWaalsContact C-N 3.3Å; S672-N674 PolarHBondContact O-N 3.3Å; N674-Y676 VanDerWaalsContact C-N 3.32Å; N674-Y676 PolarHBondContact O-N 3.03Å
675	H	60.8	Low	81.2	Confident	120 Å²	120	68.7 Å²	68.7	56%	0.556	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-66.8	-28.8	-171.5	-76.6	49.1	0	0	0	114.1	T673 N677 R678	T673-H675 PolarHBondContact O-N 3.2Å; T673-H675 VanDerWaalsContact O-N 3.16Å; T673-H675 PolarHBondContact O-ND1 3.36Å; H675-N677 VanDerWaalsContact C-N 3.35Å; H675-N677 PolarHBondContact O-N 2.96Å; H675-R678 PolarHBondContact CD2-NH2 2.8Å; H675-R678 PolarHBondContact CE1-NH2 2.96Å; H675-R678 VanDerWaalsContact CG-NH2 3.28Å; H675-R678 PolarHBondContact ND1-NH2 2.69Å; H675-R678 PolarHBondContact NE2-NH2 3.37Å
676	Y	61.8	Low	81.5	Confident	212 Å²	212	62.2 Å²	62.2	83%	0.831	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-77.1	-19.3	-172.3	-61.8	-76.5	0	0	0	114	N674	N674-Y676 VanDerWaalsContact C-N 3.32Å; N674-Y676 PolarHBondContact O-N 3.03Å
677	N	75.7	Confident	81.8	Confident	43 Å²	43	62 Å²	62	23%	0.23	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-111.6	22.8	-168.2	-139.5	21.6	0	0	0	113.6	L668 H675 G746	L668-N677 WeakPolarHBondContact CB-O 3.42Å; L668-N677 HydrophobicContact CD1-CB 4.16Å; L668-N677 WeakPolarHBondContact CD1-O 3.46Å; H675-N677 VanDerWaalsContact C-N 3.35Å; H675-N677 PolarHBondContact O-N 2.96Å; N677-G746 PolarHBondContact ND2-O 2.89Å
678	R	87	Confident	82	Confident	54 Å²	54	60.4 Å²	60.4	20%	0.204	30%	0.296	C	S	.	.	S	Bend	trans	-71.4	157.5	178.4	-64.9	176.9	177.9	158.4	4.8	111.7	L668 T669 E670 S672 H675 K680 K749	L668-R678 WeakPolarHBondContact O-CA 3.22Å; T669-R678 WeakPolarHBondContact O-CD 3.48Å; T669-R678 PolarHBondContact O-NE 3.39Å; T669-R678 VanDerWaalsContact O-NE 3.11Å; E670-R678 PolarHBondContact O-NH2 2.88Å; S672-R678 PolarHBondContact O-NH2 2.96Å; S672-R678 VanDerWaalsContact O-NH2 3.14Å; H675-R678 PolarHBondContact CD2-NH2 2.8Å; H675-R678 PolarHBondContact CE1-NH2 2.96Å; H675-R678 VanDerWaalsContact CG-NH2 3.28Å; H675-R678 PolarHBondContact ND1-NH2 2.69Å; H675-R678 PolarHBondContact NE2-NH2 3.37Å; R678-K680 PolarHBondContact O-N 3.01Å; R678-K749 PolarHBondContact O-NZ 3.29Å
679	I	93.6	Very high	82.5	Confident	11 Å²	11	60.4 Å²	60.4	6%	0.056	30%	0.297	C	S	.	.			trans	-58.8	127.9	167.7	-56.1	165.7	0	0	0	108.6	P667 L668 D683 K749 A750 V766 L767 L771 I813 V839	P667-I679 HydrophobicContact CB-CD1 4.42Å; L668-I679 PolarHBondContact O-N 3.48Å; L668-I679 VanDerWaalsContact O-N 3.1Å; I679-D683 WeakPolarHBondContact CA-OD2 3.44Å; I679-K749 HydrophobicContact CG1-CB 3.99Å; I679-A750 HydrophobicContact CD1-CB 3.94Å; I679-V766 VanDerWaalsContact CD1-O 3.27Å; I679-V766 WeakPolarHBondContact CD1-O 3.32Å; I679-L767 HydrophobicContact CG2-CD2 4.34Å; I679-L771 HydrophobicContact CB-CD1 4.43Å; I679-L771 HydrophobicContact CG2-CD1 3.86Å; I679-I813 HydrophobicContact CG2-CG2 4.25Å; I679-V839 HydrophobicContact CG2-CG1 4.15Å; I679-V839 HydrophobicContact CG2-CG2 4.31Å
680	K	92	Very high	83.4	Confident	88 Å²	88	58.9 Å²	58.9	38%	0.383	29%	0.288	S	S	.	.			trans	-136.4	160.8	-179.3	65.4	-173.2	-175.8	-160.3	0	111.4	R678 G682 D683 E815 V839	R678-K680 PolarHBondContact O-N 3.01Å; K680-G682 PolarHBondContact O-N 3.15Å; K680-D683 WeakPolarHBondContact CG-OD1 3.37Å; K680-D683 PolarHBondContact N-OD2 3.39Å; K680-D683 VanDerWaalsContact O-CB 3.32Å; K680-D683 WeakPolarHBondContact O-CB 3.33Å; K680-D683 PolarHBondContact O-N 3.29Å; K680-D683 VanDerWaalsContact O-N 3.16Å; K680-E815 IonicContact NZ-OE1 2.69Å; K680-E815 PolarHBondContact NZ-OE1 3.13Å; K680-E815 IonicContact NZ-OE2 2.64Å; K680-E815 PolarHBondContact NZ-OE2 2.99Å; K680-V839 WeakPolarHBondContact O-CG1 2.99Å
681	E	94.4	Very high	85	Confident	110 Å²	110	55.3 Å²	55.3	51%	0.514	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	135.3	169.2	175.9	162.1	-135.5	0	0	110.9	R841	E681-R841 PolarHBondContact OE1-N 3.34Å; E681-R841 VanDerWaalsContact OE1-N 3.12Å
682	G	95.2	Very high	86.5	Confident	38 Å²	38	46 Å²	46	39%	0.392	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-6.3	-174.5	0	0	0	0	0	115.5	K680 V839	K680-G682 PolarHBondContact O-N 3.15Å; G682-V839 PolarHBondContact N-O 2.75Å
683	D	96.8	Very high	87.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-62.8	149.7	166.8	-75.3	-21.9	0	0	0	110.7	I679 K680 K749 I813 V814 K838 V839	I679-D683 WeakPolarHBondContact CA-OD2 3.44Å; K680-D683 WeakPolarHBondContact CG-OD1 3.37Å; K680-D683 PolarHBondContact N-OD2 3.39Å; K680-D683 VanDerWaalsContact O-CB 3.32Å; K680-D683 WeakPolarHBondContact O-CB 3.33Å; K680-D683 PolarHBondContact O-N 3.29Å; K680-D683 VanDerWaalsContact O-N 3.16Å; D683-K749 IonicContact OD1-NZ 2.73Å; D683-K749 PolarHBondContact OD1-NZ 3.02Å; D683-K749 WeakPolarHBondContact OD2-CD 3.12Å; D683-K749 IonicContact OD2-NZ 2.67Å; D683-K749 PolarHBondContact OD2-NZ 3.19Å; D683-I813 HydrophobicContact CB-CG2 3.87Å; D683-V814 WeakPolarHBondContact CB-O 3.47Å; D683-K838 WeakPolarHBondContact O-CA 3.48Å; D683-V839 HydrophobicContact CB-CB 4.24Å; D683-V839 HydrophobicContact CB-CG2 3.95Å; D683-V839 PolarHBondContact O-N 3.45Å
684	V	98.2	Very high	89.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.9	-172.1	176.9	0	0	0	0	110.5	L686 I813 V814 N816 V819 E835 K838	V684-L686 HydrophobicContact CG1-CD2 4.12Å; V684-I813 WeakPolarHBondContact O-CA 3.4Å; V684-V814 HydrophobicContact CB-CG2 4.25Å; V684-V814 PolarHBondContact N-O 3.42Å; V684-V814 PolarHBondContact O-N 3.17Å; V684-N816 HydrophobicContact CG2-CB 4.05Å; V684-N816 WeakPolarHBondContact CG2-OD1 3.29Å; V684-V819 HydrophobicContact CB-CG2 3.65Å; V684-V819 HydrophobicContact CG1-CG2 3.73Å; V684-V819 HydrophobicContact CG2-CG2 3.84Å; V684-E835 HydrophobicContact CG1-CG 3.65Å; V684-K838 HydrophobicContact CG2-CD 4.48Å
685	V	98.5	Very high	91.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.1	179.9	-168.9	0	0	0	0	108.7	V773 L775 V811 L812 I836 G837 V839	V685-V773 HydrophobicContact CG2-CB 4.17Å; V685-V773 HydrophobicContact CG2-CG1 3.58Å; V685-L775 HydrophobicContact CB-CD2 4.3Å; V685-L775 HydrophobicContact CG1-CD2 4.04Å; V685-V811 HydrophobicContact CG1-CG1 3.36Å; V685-L812 WeakPolarHBondContact CA-O 3.45Å; V685-I836 HydrophobicContact CB-CG1 4.12Å; V685-I836 HydrophobicContact CG1-CD1 3.88Å; V685-I836 HydrophobicContact CG1-CG1 3.69Å; V685-I836 WeakPolarHBondContact O-CG1 3.33Å; V685-I836 PolarHBondContact O-N 2.82Å; V685-G837 WeakPolarHBondContact CB-O 3.47Å; V685-G837 PolarHBondContact N-O 3.45Å; V685-G837 PolarHBondContact O-N 2.69Å; V685-V839 HydrophobicContact CG2-CG2 4.22Å
686	L	98.5	Very high	92.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139	177.1	-58.8	179	0	0	0	110.1	V684 V811 L812 V814 V819 V822 Y834 E835	V684-L686 HydrophobicContact CG1-CD2 4.12Å; L686-V811 CarbonylContact O-C 3.56Å; L686-V811 VanDerWaalsContact O-CA 3.28Å; L686-V811 WeakPolarHBondContact O-CA 3.5Å; L686-L812 HydrophobicContact CB-CB 4.34Å; L686-L812 PolarHBondContact N-O 3.36Å; L686-L812 PolarHBondContact O-N 2.94Å; L686-V814 HydrophobicContact CD1-CG1 4.21Å; L686-V814 HydrophobicContact CD1-CG2 3.85Å; L686-V814 HydrophobicContact CG-CG2 4.1Å; L686-V819 HydrophobicContact CD2-CG1 4.28Å; L686-V822 HydrophobicContact CD1-CB 4.34Å; L686-V822 HydrophobicContact CD1-CG1 3.77Å; L686-Y834 CarbonylContact C-O 3.59Å; L686-Y834 VanDerWaalsContact CA-O 3.28Å; L686-Y834 WeakPolarHBondContact CA-O 3.24Å; L686-E835 HydrophobicContact CD2-CB 4.34Å
687	G	98.1	Very high	94	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.4	176.7	0	0	0	0	0	111.6	M810 C833 Y834	G687-M810 WeakPolarHBondContact CA-O 3.37Å; G687-C833 WeakPolarHBondContact O-CA 3.35Å; G687-Y834 PolarHBondContact N-O 3.08Å; G687-Y834 WeakPolarHBondContact O-CD2 3.33Å; G687-Y834 PolarHBondContact O-N 3.49Å
688	L	98	Very high	94.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	135.8	174.7	-73.6	63.5	0	0	0	109.5	Y735 I808 G809 M810 L812 L826 E831 R832	L688-Y735 HydrophobicContact CB-CE1 4.05Å; L688-Y735 HydrophobicContact CD2-CD1 3.84Å; L688-Y735 HydrophobicContact CD2-CE1 4.18Å; L688-I808 CarbonylContact O-C 3.35Å; L688-I808 WeakPolarHBondContact O-CA 3.1Å; L688-G809 PolarHBondContact O-N 2.91Å; L688-M810 HydrophobicContact CB-CB 4.2Å; L688-M810 HydrophobicContact CD2-CB 4.29Å; L688-M810 PolarHBondContact N-O 2.91Å; L688-L812 HydrophobicContact CD1-CD1 3.87Å; L688-L812 HydrophobicContact CD1-CG 3.93Å; L688-L826 HydrophobicContact CD1-CD1 3.88Å; L688-L826 HydrophobicContact CD2-CD1 4.42Å; L688-L826 HydrophobicContact CD2-CD2 3.8Å; L688-L826 HydrophobicContact CG-CD1 4.19Å; L688-L826 HydrophobicContact CG-CD2 4.38Å; L688-E831 HydrophobicContact CD2-CG 4.44Å; L688-R832 WeakPolarHBondContact CA-O 3.35Å
689	A	97.4	Very high	95.2	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.041	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	134.3	-178.2	0	0	0	0	0	112.9	Y735 G807 R832 Y834	A689-Y735 PolarHBondContact O-OH 2.96Å; A689-G807 CarbonylContact C-O 3.59Å; A689-G807 WeakPolarHBondContact CA-O 3.31Å; A689-R832 HydrophobicContact CB-CB 3.81Å; A689-R832 PolarHBondContact N-O 3.08Å; A689-Y834 HydrophobicContact CB-CE2 3.94Å
690	S	96.5	Very high	95.1	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.035	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-72.7	163	168.9	70.2	0	0	0	0	112.7	G692 Y735 N805 G807	S690-G692 VanDerWaalsContact C-N 3.27Å; S690-G692 WeakPolarHBondContact CB-O 3.36Å; S690-G692 PolarHBondContact OG-N 3.12Å; S690-G692 PolarHBondContact OG-O 2.96Å; S690-Y735 WeakPolarHBondContact CA-OH 3.08Å; S690-N805 VanDerWaalsContact CB-ND2 3.3Å; S690-N805 WeakPolarHBondContact CB-ND2 3.38Å; S690-N805 PolarHBondContact OG-ND2 2.93Å; S690-G807 PolarHBondContact N-O 3.07Å
691	S	94.5	Very high	95.2	Very high	46 Å²	46	20.7 Å²	20.7	32%	0.322	13%	0.132	S	C	.	.	S	Bend	trans	-74.6	-17.7	165.7	45.1	0	0	0	0	113.1	P731 K733	S691-P731 WeakPolarHBondContact CB-O 3.5Å; S691-P731 PolarHBondContact OG-O 3.42Å; S691-K733 PolarHBondContact OG-N 2.96Å
692	G	93.1	Very high	95.2	Very high	5 Å²	5	18.5 Å²	18.5	5%	0.052	12%	0.119	C	C	.	.	S	Bend	trans	157.6	-142.6	-174.8	0	0	0	0	0	110.5	S690 N805	S690-G692 VanDerWaalsContact C-N 3.27Å; S690-G692 WeakPolarHBondContact CB-O 3.36Å; S690-G692 PolarHBondContact OG-N 3.12Å; S690-G692 PolarHBondContact OG-O 2.96Å; G692-N805 PolarHBondContact O-ND2 2.98Å
693	I	94.8	Very high	95	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.051	12%	0.124	C	C	.	.			trans	-82.2	121.4	178.9	-51.6	147.2	0	0	0	109.5	F698 I701 L728 E785 F786 I789 F804	I693-F698 HydrophobicContact CB-CE2 4.37Å; I693-F698 HydrophobicContact CG2-CE2 3.81Å; I693-F698 HydrophobicContact CG2-CZ 4.4Å; I693-I701 HydrophobicContact CD1-CD1 4.08Å; I693-I701 HydrophobicContact CG2-CD1 4Å; I693-L728 HydrophobicContact CD1-CD2 3.82Å; I693-E785 HydrophobicContact CD1-CB 4.17Å; I693-E785 HydrophobicContact CD1-CG 4.07Å; I693-E785 HydrophobicContact CG1-CG 3.94Å; I693-F786 HydrophobicContact CB-CE1 4.46Å; I693-F786 HydrophobicContact CG1-CD1 4.45Å; I693-F786 HydrophobicContact CG1-CE1 3.82Å; I693-F786 HydrophobicContact CG1-CZ 4.07Å; I693-I789 HydrophobicContact CD1-CD1 3.68Å; I693-I789 HydrophobicContact CG1-CD1 4.11Å; I693-F804 HydrophobicContact CG2-CD1 3.88Å; I693-F804 HydrophobicContact CG2-CE1 4.04Å
694	H	95.4	Very high	94.6	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.019	12%	0.124	C	C	.	.			trans	-70.1	169.8	173.2	-65.1	-172.9	0	0	0	111.1	N696 F698 T732 H753 V754 N805 G809	H694-N696 PolarHBondContact O-N 3.37Å; H694-F698 WeakPolarHBondContact O-CE2 3.41Å; H694-T732 WeakPolarHBondContact CA-OG1 3.42Å; H694-T732 HydrophobicContact CB-CG2 4.3Å; H694-H753 AromaticContact CE1-NE2 3.84Å; H694-H753 AromaticContact ND1-NE2 3.83Å; H694-V754 PolarHBondContact CE1-O 2.93Å; H694-V754 PolarHBondContact ND1-O 3.25Å; H694-N805 PolarHBondContact CD2-ND2 3.13Å; H694-N805 PolarHBondContact NE2-ND2 2.96Å; H694-G809 VanDerWaalsContact CE1-CA 3.45Å; H694-G809 WeakPolarHBondContact CE1-CA 3.47Å
695	S	92.8	Very high	94	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.028	13%	0.126	C	C	.	.	S	Bend	trans	-53.3	-20.8	-172.2	-58.2	0	0	0	0	117.1	F698	S695-F698 WeakPolarHBondContact O-CD2 3.45Å
696	N	91.5	Very high	93.3	Very high	48 Å²	48	27.3 Å²	27.3	26%	0.257	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	156.2	-176.4	-48.7	72.8	0	0	0	112.4	M584 H694 F698 G756	M584-N696 VanDerWaalsContact CE-OD1 3.25Å; M584-N696 WeakPolarHBondContact CE-OD1 3.16Å; H694-N696 PolarHBondContact O-N 3.37Å; N696-F698 VanDerWaalsContact C-N 3.31Å; N696-F698 PolarHBondContact O-N 2.86Å; N696-G756 PolarHBondContact ND2-N 2.95Å; N696-G756 PolarHBondContact OD1-N 2.9Å
697	G	91.7	Very high	92.5	Very high	23 Å²	23	33.6 Å²	33.6	24%	0.237	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-5.6	178.5	0	0	0	0	0	115.8	S699 M700 I701	G697-S699 PolarHBondContact O-N 2.8Å; G697-S699 VanDerWaalsContact O-N 3.08Å; G697-M700 WeakPolarHBondContact O-CB 3.24Å; G697-M700 PolarHBondContact O-N 2.86Å; G697-I701 PolarHBondContact O-N 2.88Å
698	F	95.1	Very high	91.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-22.1	-178.6	-89.2	-99.1	0	0	0	115.5	K564 I567 I693 H694 S695 N696 M700 I701 R702 L728	K564-F698 HydrophobicContact CB-CB 4.3Å; K564-F698 HydrophobicContact CB-CD1 3.94Å; K564-F698 HydrophobicContact CB-CD2 3.98Å; K564-F698 HydrophobicContact CB-CE1 4.3Å; K564-F698 HydrophobicContact CB-CE2 4.34Å; K564-F698 HydrophobicContact CB-CG 3.77Å; K564-F698 HydrophobicContact CB-CZ 4.5Å; K564-F698 HydrophobicContact CD-CD2 4.2Å; K564-F698 HydrophobicContact CD-CE1 4.16Å; K564-F698 HydrophobicContact CD-CE2 3.72Å; K564-F698 HydrophobicContact CD-CZ 3.7Å; K564-F698 HydrophobicContact CG-CD1 3.88Å; K564-F698 HydrophobicContact CG-CD2 4.17Å; K564-F698 HydrophobicContact CG-CE1 3.71Å; K564-F698 HydrophobicContact CG-CE2 4.03Å; K564-F698 HydrophobicContact CG-CG 4.11Å; K564-F698 HydrophobicContact CG-CZ 3.81Å; I567-F698 HydrophobicContact CG1-CD1 3.96Å; I567-F698 HydrophobicContact CG1-CE1 4.31Å; I693-F698 HydrophobicContact CB-CE2 4.37Å; I693-F698 HydrophobicContact CG2-CE2 3.81Å; I693-F698 HydrophobicContact CG2-CZ 4.4Å; H694-F698 WeakPolarHBondContact O-CE2 3.41Å; S695-F698 WeakPolarHBondContact O-CD2 3.45Å; N696-F698 VanDerWaalsContact C-N 3.31Å; N696-F698 PolarHBondContact O-N 2.86Å; F698-M700 VanDerWaalsContact C-N 3.31Å; F698-M700 PolarHBondContact O-N 3.05Å; F698-I701 HydrophobicContact CD1-CD1 4.38Å; F698-I701 HydrophobicContact CD2-CD1 4.27Å; F698-I701 HydrophobicContact CE1-CD1 4.35Å; F698-I701 HydrophobicContact CE2-CD1 4.23Å; F698-I701 HydrophobicContact CG-CD1 4.33Å; F698-I701 HydrophobicContact CZ-CD1 4.27Å; F698-I701 PolarHBondContact O-N 2.85Å; F698-R702 WeakPolarHBondContact O-CB 3.2Å; F698-R702 WeakPolarHBondContact O-CG 3.44Å; F698-R702 PolarHBondContact O-N 2.9Å; F698-L728 HydrophobicContact CE1-CB 4.17Å; F698-L728 VanDerWaalsContact CZ-O 3.26Å; F698-L728 WeakPolarHBondContact CZ-O 3.27Å
699	S	93.1	Very high	90.1	Very high	72 Å²	72	41.1 Å²	41.1	50%	0.503	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-35.2	172.5	-62	0	0	0	0	112.1	T563 G697 K703	T563-S699 VanDerWaalsContact CG2-OG 3.27Å; T563-S699 WeakPolarHBondContact CG2-OG 3.45Å; T563-S699 PolarHBondContact OG1-N 3.05Å; T563-S699 PolarHBondContact OG1-OG 3.2Å; G697-S699 PolarHBondContact O-N 2.8Å; G697-S699 VanDerWaalsContact O-N 3.08Å; S699-K703 PolarHBondContact O-N 2.92Å
700	M	91.9	Very high	88.9	Confident	63 Å²	63	42.4 Å²	42.4	31%	0.31	23%	0.228	S	C	.	.	H	α-helix	trans	-71.9	-44.7	173.6	-174.7	66.2	81.1	0	0	110.7	G697 F698 R702 K703 I704 I795 I803	G697-M700 WeakPolarHBondContact O-CB 3.24Å; G697-M700 PolarHBondContact O-N 2.86Å; F698-M700 VanDerWaalsContact C-N 3.31Å; F698-M700 PolarHBondContact O-N 3.05Å; M700-R702 VanDerWaalsContact C-N 3.33Å; M700-R702 PolarHBondContact O-N 2.78Å; M700-K703 WeakPolarHBondContact O-CB 3.08Å; M700-K703 PolarHBondContact O-N 3.48Å; M700-K703 HydrophobicContact SD-CD 4.47Å; M700-I704 HydrophobicContact CG-CD1 4Å; M700-I704 WeakPolarHBondContact O-CG1 3.38Å; M700-I704 PolarHBondContact O-N 3.42Å; M700-I795 HydrophobicContact CE-CD1 4.28Å; M700-I795 HydrophobicContact CG-CD1 3.6Å; M700-I795 HydrophobicContact SD-CD1 4.07Å; M700-I803 HydrophobicContact CE-CD1 4.48Å
701	I	94	Very high	88.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-44.8	178.1	-64.1	173.7	0	0	0	111	I693 G697 F698 K703 I704 I705 L728 I789 F804	I693-I701 HydrophobicContact CD1-CD1 4.08Å; I693-I701 HydrophobicContact CG2-CD1 4Å; G697-I701 PolarHBondContact O-N 2.88Å; F698-I701 HydrophobicContact CD1-CD1 4.38Å; F698-I701 HydrophobicContact CD2-CD1 4.27Å; F698-I701 HydrophobicContact CE1-CD1 4.35Å; F698-I701 HydrophobicContact CE2-CD1 4.23Å; F698-I701 HydrophobicContact CG-CD1 4.33Å; F698-I701 HydrophobicContact CZ-CD1 4.27Å; F698-I701 PolarHBondContact O-N 2.85Å; I701-K703 PolarHBondContact O-N 3.01Å; I701-I704 WeakPolarHBondContact O-CB 3.33Å; I701-I704 PolarHBondContact O-N 3.28Å; I701-I705 HydrophobicContact CG2-CD1 3.72Å; I701-I705 HydrophobicContact CG2-CG1 4.47Å; I701-I705 WeakPolarHBondContact O-CD1 3.45Å; I701-I705 VanDerWaalsContact O-CG1 3.29Å; I701-I705 WeakPolarHBondContact O-CG1 3.26Å; I701-I705 PolarHBondContact O-N 3.3Å; I701-L728 HydrophobicContact CD1-CD2 4.42Å; I701-L728 HydrophobicContact CG2-CD1 3.91Å; I701-L728 HydrophobicContact CG2-CD2 3.87Å; I701-I789 HydrophobicContact CD1-CD1 3.72Å; I701-I789 HydrophobicContact CG1-CD1 3.88Å; I701-I789 HydrophobicContact CG1-CG1 4.27Å; I701-F804 HydrophobicContact CD1-CE1 3.94Å; I701-F804 HydrophobicContact CD1-CZ 4.32Å; I701-F804 HydrophobicContact CG1-CE1 4.26Å; I701-F804 HydrophobicContact CG1-CZ 4.13Å
702	R	93.5	Very high	87.7	Confident	65 Å²	65	45.6 Å²	45.6	25%	0.245	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-47.5	174.6	-77.7	-176.1	63.8	-131.7	-14.6	112.3	I567 F698 M700 I704 I705 D706	I567-R702 HydrophobicContact CD1-CG 3.58Å; I567-R702 HydrophobicContact CG1-CG 4.12Å; F698-R702 WeakPolarHBondContact O-CB 3.2Å; F698-R702 WeakPolarHBondContact O-CG 3.44Å; F698-R702 PolarHBondContact O-N 2.9Å; M700-R702 VanDerWaalsContact C-N 3.33Å; M700-R702 PolarHBondContact O-N 2.78Å; R702-I704 VanDerWaalsContact C-N 3.28Å; R702-I704 PolarHBondContact O-N 3.49Å; R702-I705 PolarHBondContact O-N 2.9Å; R702-I705 VanDerWaalsContact O-N 3.17Å; R702-D706 WeakPolarHBondContact O-CB 3.49Å; R702-D706 PolarHBondContact O-N 3.02Å
703	K	91.9	Very high	87.3	Confident	114 Å²	114	50.5 Å²	50.5	50%	0.496	27%	0.265	S	S	.	.	H	α-helix	trans	-57	-41.3	175.4	-175.9	-172.2	174.4	-168.4	0	112.1	S699 M700 I701 Q707	S699-K703 PolarHBondContact O-N 2.92Å; M700-K703 WeakPolarHBondContact O-CB 3.08Å; M700-K703 PolarHBondContact O-N 3.48Å; M700-K703 HydrophobicContact SD-CD 4.47Å; I701-K703 PolarHBondContact O-N 3.01Å; K703-Q707 VanDerWaalsContact O-CB 3.29Å; K703-Q707 WeakPolarHBondContact O-CB 3.16Å; K703-Q707 WeakPolarHBondContact O-CG 3.48Å; K703-Q707 PolarHBondContact O-N 3.4Å
704	I	87.8	Confident	86.6	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-45.1	176.9	-71.1	168.1	0	0	0	111.3	M700 I701 R702 Q707 M708 W788 I789 A792 I795	M700-I704 HydrophobicContact CG-CD1 4Å; M700-I704 WeakPolarHBondContact O-CG1 3.38Å; M700-I704 PolarHBondContact O-N 3.42Å; I701-I704 WeakPolarHBondContact O-CB 3.33Å; I701-I704 PolarHBondContact O-N 3.28Å; R702-I704 VanDerWaalsContact C-N 3.28Å; R702-I704 PolarHBondContact O-N 3.49Å; I704-Q707 PolarHBondContact O-N 3.03Å; I704-M708 HydrophobicContact CG2-CE 3.41Å; I704-M708 VanDerWaalsContact CG2-CE 3.41Å; I704-M708 PolarHBondContact O-N 3.34Å; I704-W788 HydrophobicContact CG2-CH2 3.89Å; I704-W788 HydrophobicContact CG2-CZ2 4.33Å; I704-W788 HydrophobicContact CG2-CZ3 4.37Å; I704-I789 HydrophobicContact CD1-CG2 3.97Å; I704-A792 HydrophobicContact CG2-CB 3.67Å; I704-I795 HydrophobicContact CD1-CD1 4.16Å
705	I	86.6	Confident	85.9	Confident	8 Å²	8	54.8 Å²	54.8	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-47.4	177.6	-68.2	162.2	0	0	0	111	I567 I701 R702 Q707 M708 N709 T710 L712 L728 W788	I567-I705 HydrophobicContact CD1-CD1 4.16Å; I701-I705 HydrophobicContact CG2-CD1 3.72Å; I701-I705 HydrophobicContact CG2-CG1 4.47Å; I701-I705 WeakPolarHBondContact O-CD1 3.45Å; I701-I705 VanDerWaalsContact O-CG1 3.29Å; I701-I705 WeakPolarHBondContact O-CG1 3.26Å; I701-I705 PolarHBondContact O-N 3.3Å; R702-I705 PolarHBondContact O-N 2.9Å; R702-I705 VanDerWaalsContact O-N 3.17Å; I705-Q707 VanDerWaalsContact C-N 3.33Å; I705-Q707 PolarHBondContact O-N 3.43Å; I705-M708 PolarHBondContact O-N 2.81Å; I705-N709 PolarHBondContact O-N 3.04Å; I705-T710 WeakPolarHBondContact CG2-O 3.18Å; I705-T710 PolarHBondContact O-N 3.01Å; I705-T710 VanDerWaalsContact O-N 3.17Å; I705-L712 HydrophobicContact CD1-CD2 3.95Å; I705-L712 HydrophobicContact CG2-CD2 4.33Å; I705-L728 HydrophobicContact CD1-CD1 3.57Å; I705-W788 HydrophobicContact CG1-CH2 4.29Å
706	D	83.7	Confident	85.4	Confident	100 Å²	100	54.6 Å²	54.6	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-42.2	177.1	-66.3	-25.6	0	0	0	110.9	R702 N709	R702-D706 WeakPolarHBondContact O-CB 3.49Å; R702-D706 PolarHBondContact O-N 3.02Å; D706-N709 PolarHBondContact O-N 3.18Å
707	Q	80.3	Confident	84.8	Confident	132 Å²	132	53.8 Å²	53.8	62%	0.617	29%	0.293	S	S	*	.	H	α-helix	trans	-68.4	-33.7	178.6	-78.2	178.7	-42.8	0	0	113.9	K703 I704 I705	K703-Q707 VanDerWaalsContact O-CB 3.29Å; K703-Q707 WeakPolarHBondContact O-CB 3.16Å; K703-Q707 WeakPolarHBondContact O-CG 3.48Å; K703-Q707 PolarHBondContact O-N 3.4Å; I704-Q707 PolarHBondContact O-N 3.03Å; I705-Q707 VanDerWaalsContact C-N 3.33Å; I705-Q707 PolarHBondContact O-N 3.43Å
708	M	73.8	Confident	84.2	Confident	50 Å²	50	54.5 Å²	54.5	25%	0.246	29%	0.289	C	S	.	.	H	α-helix	trans	-85.5	-8.2	174.6	-72.7	-173.1	-63.4	0	0	113.8	I704 I705 T710 W788 A792	I704-M708 HydrophobicContact CG2-CE 3.41Å; I704-M708 VanDerWaalsContact CG2-CE 3.41Å; I704-M708 PolarHBondContact O-N 3.34Å; I705-M708 PolarHBondContact O-N 2.81Å; M708-T710 WeakPolarHBondContact CB-OG1 3.3Å; M708-T710 PolarHBondContact O-N 3.45Å; M708-W788 HydrophobicContact CE-CH2 3.92Å; M708-W788 HydrophobicContact CE-CZ2 3.25Å; M708-A792 HydrophobicContact CE-CB 3.69Å; M708-A792 HydrophobicContact SD-CB 3.79Å
709	N	73	Confident	83.5	Confident	107 Å²	107	57.1 Å²	57.1	57%	0.572	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	39.5	-172.8	-162.3	14.7	0	0	0	111.9	I705 D706 H901	I705-N709 PolarHBondContact O-N 3.04Å; D706-N709 PolarHBondContact O-N 3.18Å; N709-H901 PolarHBondContact ND2-CD2 3.4Å; N709-H901 VanDerWaalsContact ND2-CD2 3.29Å
710	T	71.7	Confident	82.8	Confident	33 Å²	33	60.4 Å²	60.4	20%	0.202	31%	0.31	C	S	.	.			trans	-82.3	125.1	-177.7	-63.6	0	0	0	0	110.1	I705 M708 F724	I705-T710 WeakPolarHBondContact CG2-O 3.18Å; I705-T710 PolarHBondContact O-N 3.01Å; I705-T710 VanDerWaalsContact O-N 3.17Å; M708-T710 WeakPolarHBondContact CB-OG1 3.3Å; M708-T710 PolarHBondContact O-N 3.45Å; T710-F724 HydrophobicContact CG2-CD1 4.26Å; T710-F724 HydrophobicContact CG2-CD2 3.57Å; T710-F724 HydrophobicContact CG2-CE1 4.19Å; T710-F724 HydrophobicContact CG2-CE2 3.52Å; T710-F724 HydrophobicContact CG2-CG 3.96Å; T710-F724 HydrophobicContact CG2-CZ 3.85Å
711	N	78.9	Confident	82.4	Confident	103 Å²	103	64.8 Å²	64.8	55%	0.551	33%	0.334	S	S	*	.			trans	-73.6	129.1	172.4	-172.4	-19.5	0	0	0	110	N713 A714	N711-N713 PolarHBondContact O-N 3.42Å; N711-N713 PolarHBondContact OD1-N 2.85Å; N711-A714 HydrophobicContact CB-CB 4.44Å; N711-A714 VanDerWaalsContact O-CB 3.27Å; N711-A714 WeakPolarHBondContact O-CB 3.27Å; N711-A714 PolarHBondContact O-N 3.37Å
712	L	86.3	Confident	82	Confident	15 Å²	15	67.8 Å²	67.8	8%	0.079	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-24	176.6	-68.3	176.2	0	0	0	113.3	I567 Q570 I705 A714 F724 G725 L728	I567-L712 HydrophobicContact CD1-CD1 4.22Å; I567-L712 HydrophobicContact CD1-CD2 4.23Å; I567-L712 HydrophobicContact CG2-CD1 4.29Å; I567-L712 HydrophobicContact CG2-CD2 4.46Å; Q570-L712 HydrophobicContact CB-CD1 3.64Å; I705-L712 HydrophobicContact CD1-CD2 3.95Å; I705-L712 HydrophobicContact CG2-CD2 4.33Å; L712-A714 VanDerWaalsContact C-N 3.32Å; L712-F724 HydrophobicContact CD2-CB 4.42Å; L712-F724 WeakPolarHBondContact O-CA 3.27Å; L712-F724 WeakPolarHBondContact O-CB 3.31Å; L712-F724 PolarHBondContact O-N 3.46Å; L712-G725 PolarHBondContact O-N 3.19Å; L712-L728 HydrophobicContact CD2-CD1 4.44Å
713	N	85.4	Confident	81.8	Confident	107 Å²	107	66.7 Å²	66.7	57%	0.572	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	0.7	176.1	-61.1	-31.1	0	0	0	113.5	N711	N711-N713 PolarHBondContact O-N 3.42Å; N711-N713 PolarHBondContact OD1-N 2.85Å
714	A	80.8	Confident	81.6	Confident	24 Å²	24	61.5 Å²	61.5	20%	0.198	33%	0.327	C	S	.	.	S	Bend	trans	-80.4	153.4	171.8	0	0	0	0	0	110.7	N711 L712 A716 D723 F724	N711-A714 HydrophobicContact CB-CB 4.44Å; N711-A714 VanDerWaalsContact O-CB 3.27Å; N711-A714 WeakPolarHBondContact O-CB 3.27Å; N711-A714 PolarHBondContact O-N 3.37Å; L712-A714 VanDerWaalsContact C-N 3.32Å; A714-A716 PolarHBondContact O-N 2.94Å; A714-D723 CarbonylContact O-C 3.57Å; A714-D723 WeakPolarHBondContact O-CA 3.34Å; A714-F724 HydrophobicContact CB-CD2 4.43Å; A714-F724 WeakPolarHBondContact O-CD2 3.31Å; A714-F724 PolarHBondContact O-N 3Å
715	P	79.6	Confident	81.9	Confident	81 Å²	81	61.4 Å²	61.4	53%	0.526	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	135.4	175.6	-25	34.6	0	0	0	112.4	L722 F724	P715-L722 CarbonylContact C-O 3.59Å; P715-L722 WeakPolarHBondContact CA-O 3.36Å; P715-F724 WeakPolarHBondContact O-CD2 3.46Å; P715-F724 VanDerWaalsContact O-CE2 3.32Å; P715-F724 WeakPolarHBondContact O-CE2 3.17Å
716	A	82.8	Confident	82.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	140.6	179.6	0	0	0	0	0	110.6	A714 W718 N719 H720 L722 F724 A727	A714-A716 PolarHBondContact O-N 2.94Å; A716-W718 HydrophobicContact CB-CD2 4.24Å; A716-W718 HydrophobicContact CB-CE3 4.47Å; A716-W718 HydrophobicContact CB-CH2 4.43Å; A716-W718 HydrophobicContact CB-CZ2 4.19Å; A716-W718 PolarHBondContact O-N 3.24Å; A716-N719 WeakPolarHBondContact CB-O 3.44Å; A716-N719 CarbonylContact O-C 3.5Å; A716-N719 PolarHBondContact O-N 3.1Å; A716-H720 PolarHBondContact O-ND1 3.45Å; A716-L722 PolarHBondContact N-O 3.42Å; A716-F724 HydrophobicContact CB-CG 4.43Å; A716-A727 HydrophobicContact CB-CB 3.7Å
717	S	78.8	Confident	82.6	Confident	31 Å²	31	58.3 Å²	58.3	22%	0.217	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.6	-174.5	-63.9	0	0	0	0	114.3	F724	S717-F724 WeakPolarHBondContact OG-CZ 3.41Å
718	W	80.2	Confident	83.3	Confident	38 Å²	38	52.1 Å²	52.1	14%	0.144	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-9.6	175	59.7	95.4	0	0	0	113.4	A716 F724 A727 L728 D784 E785 W788	A716-W718 HydrophobicContact CB-CD2 4.24Å; A716-W718 HydrophobicContact CB-CE3 4.47Å; A716-W718 HydrophobicContact CB-CH2 4.43Å; A716-W718 HydrophobicContact CB-CZ2 4.19Å; A716-W718 PolarHBondContact O-N 3.24Å; W718-F724 HydrophobicContact CE3-CE1 4.42Å; W718-F724 AromaticContact CH2-CD1 3.76Å; W718-F724 HydrophobicContact CH2-CD1 3.76Å; W718-F724 AromaticContact CH2-CE1 3.58Å; W718-F724 HydrophobicContact CH2-CE1 3.58Å; W718-F724 HydrophobicContact CZ3-CD1 4Å; W718-F724 AromaticContact CZ3-CE1 3.34Å; W718-F724 HydrophobicContact CZ3-CE1 3.34Å; W718-F724 AromaticContact CZ3-CZ 3.98Å; W718-F724 HydrophobicContact CZ3-CZ 3.98Å; W718-A727 HydrophobicContact CZ2-CB 3.78Å; W718-L728 HydrophobicContact CH2-CD2 3.93Å; W718-L728 HydrophobicContact CH2-CG 4.13Å; W718-L728 HydrophobicContact CZ2-CD2 4Å; W718-L728 HydrophobicContact CZ2-CG 4.19Å; W718-D784 HydrophobicContact CB-CB 3.57Å; W718-E785 HydrophobicContact CD2-CB 4.06Å; W718-E785 HydrophobicContact CG-CB 4.14Å; W718-E785 HydrophobicContact CZ2-CB 4.25Å; W718-W788 HydrophobicContact CE3-CB 3.82Å; W718-W788 AromaticContact CE3-CD2 3.74Å; W718-W788 HydrophobicContact CE3-CD2 3.74Å; W718-W788 HydrophobicContact CE3-CE3 4.06Å; W718-W788 AromaticContact CE3-CG 3.59Å; W718-W788 HydrophobicContact CE3-CG 3.59Å; W718-W788 HydrophobicContact CH2-CD2 4.26Å; W718-W788 AromaticContact CH2-CE3 3.89Å; W718-W788 HydrophobicContact CH2-CE3 3.89Å; W718-W788 HydrophobicContact CH2-CH2 4.44Å; W718-W788 HydrophobicContact CH2-CZ3 4.01Å; W718-W788 HydrophobicContact CZ3-CB 4.28Å; W718-W788 AromaticContact CZ3-CD2 3.27Å; W718-W788 HydrophobicContact CZ3-CD2 3.27Å; W718-W788 AromaticContact CZ3-CE2 3.65Å; W718-W788 AromaticContact CZ3-CE3 3.33Å; W718-W788 HydrophobicContact CZ3-CE3 3.33Å; W718-W788 AromaticContact CZ3-CG 3.68Å; W718-W788 HydrophobicContact CZ3-CG 3.68Å; W718-W788 HydrophobicContact CZ3-CH2 4.15Å; W718-W788 HydrophobicContact CZ3-CZ2 4.06Å; W718-W788 AromaticContact CZ3-CZ3 3.81Å; W718-W788 HydrophobicContact CZ3-CZ3 3.81Å
719	N	80.5	Confident	84.4	Confident	55 Å²	55	49.9 Å²	49.9	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	97.2	179.1	-174.1	-18.6	0	0	0	109.6	A716 D721 L722	A716-N719 WeakPolarHBondContact CB-O 3.44Å; A716-N719 CarbonylContact O-C 3.5Å; A716-N719 PolarHBondContact O-N 3.1Å; N719-D721 PolarHBondContact O-N 2.99Å; N719-D721 PolarHBondContact OD1-N 3.26Å; N719-D721 VanDerWaalsContact OD1-N 3.11Å; N719-L722 PolarHBondContact O-N 3.06Å; N719-L722 VanDerWaalsContact O-O 3.11Å
720	H	78.1	Confident	85.4	Confident	140 Å²	140	47 Å²	47	65%	0.648	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	-9.8	-176.3	-66.3	-41.7	0	0	0	114.6	A716 L722	A716-H720 PolarHBondContact O-ND1 3.45Å; H720-L722 VanDerWaalsContact C-N 3.34Å
721	D	83.2	Confident	86.6	Confident	155 Å²	155	47.1 Å²	47.1	83%	0.829	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	-12.4	175.7	-60.3	-36.5	0	0	0	112.4	N719	N719-D721 PolarHBondContact O-N 2.99Å; N719-D721 PolarHBondContact OD1-N 3.26Å; N719-D721 VanDerWaalsContact OD1-N 3.11Å
722	L	85.4	Confident	87.5	Confident	63 Å²	63	42.2 Å²	42.2	33%	0.33	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.6	179.6	-63.1	-178.9	0	0	0	111.8	P715 A716 N719 H720 A727	P715-L722 CarbonylContact C-O 3.59Å; P715-L722 WeakPolarHBondContact CA-O 3.36Å; A716-L722 PolarHBondContact N-O 3.42Å; N719-L722 PolarHBondContact O-N 3.06Å; N719-L722 VanDerWaalsContact O-O 3.11Å; H720-L722 VanDerWaalsContact C-N 3.34Å; L722-A727 HydrophobicContact CB-CB 4.19Å; L722-A727 HydrophobicContact CD1-CB 4.29Å
723	D	89.6	Confident	88	Confident	42 Å²	42	44.4 Å²	44.4	23%	0.225	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	153.8	162.5	67.8	66.6	0	0	0	111.3	K573 A714 G725 S726 A727	K573-D723 IonicContact NZ-OD1 3.47Å; K573-D723 PolarHBondContact NZ-OD1 2.84Å; K573-D723 VanDerWaalsContact NZ-OD1 3.17Å; K573-D723 IonicContact NZ-OD2 3.59Å; K573-D723 PolarHBondContact NZ-OD2 3.18Å; A714-D723 CarbonylContact O-C 3.57Å; A714-D723 WeakPolarHBondContact O-CA 3.34Å; D723-G725 PolarHBondContact O-N 3.29Å; D723-G725 WeakPolarHBondContact OD1-CA 3.49Å; D723-G725 PolarHBondContact OD1-N 2.81Å; D723-S726 PolarHBondContact O-N 3.36Å; D723-S726 WeakPolarHBondContact OD1-CB 3.47Å; D723-S726 PolarHBondContact OD1-N 2.8Å; D723-S726 PolarHBondContact OD1-OG 2.62Å; D723-S726 PolarHBondContact OD2-OG 3.23Å; D723-A727 PolarHBondContact O-N 3.26Å
724	F	88.1	Confident	88.6	Confident	5 Å²	5	40 Å²	40	2%	0.022	22%	0.221	C	C	.	.	H	α-helix	trans	-51.8	-41.9	179.8	-106.8	-79.1	0	0	0	112.5	T710 L712 A714 P715 A716 S717 W718 L728 W788	T710-F724 HydrophobicContact CG2-CD1 4.26Å; T710-F724 HydrophobicContact CG2-CD2 3.57Å; T710-F724 HydrophobicContact CG2-CE1 4.19Å; T710-F724 HydrophobicContact CG2-CE2 3.52Å; T710-F724 HydrophobicContact CG2-CG 3.96Å; T710-F724 HydrophobicContact CG2-CZ 3.85Å; L712-F724 HydrophobicContact CD2-CB 4.42Å; L712-F724 WeakPolarHBondContact O-CA 3.27Å; L712-F724 WeakPolarHBondContact O-CB 3.31Å; L712-F724 PolarHBondContact O-N 3.46Å; A714-F724 HydrophobicContact CB-CD2 4.43Å; A714-F724 WeakPolarHBondContact O-CD2 3.31Å; A714-F724 PolarHBondContact O-N 3Å; P715-F724 WeakPolarHBondContact O-CD2 3.46Å; P715-F724 VanDerWaalsContact O-CE2 3.32Å; P715-F724 WeakPolarHBondContact O-CE2 3.17Å; A716-F724 HydrophobicContact CB-CG 4.43Å; S717-F724 WeakPolarHBondContact OG-CZ 3.41Å; W718-F724 HydrophobicContact CE3-CE1 4.42Å; W718-F724 AromaticContact CH2-CD1 3.76Å; W718-F724 HydrophobicContact CH2-CD1 3.76Å; W718-F724 AromaticContact CH2-CE1 3.58Å; W718-F724 HydrophobicContact CH2-CE1 3.58Å; W718-F724 HydrophobicContact CZ3-CD1 4Å; W718-F724 AromaticContact CZ3-CE1 3.34Å; W718-F724 HydrophobicContact CZ3-CE1 3.34Å; W718-F724 AromaticContact CZ3-CZ 3.98Å; W718-F724 HydrophobicContact CZ3-CZ 3.98Å; F724-L728 HydrophobicContact CD1-CD1 4.41Å; F724-L728 WeakPolarHBondContact O-CB 3.41Å; F724-L728 WeakPolarHBondContact O-CD1 3.48Å; F724-L728 WeakPolarHBondContact O-CG 3.1Å; F724-L728 PolarHBondContact O-N 3.21Å; F724-L728 VanDerWaalsContact O-N 3.12Å; F724-W788 HydrophobicContact CD1-CZ2 4.48Å; F724-W788 AromaticContact CE1-CE2 3.86Å; F724-W788 AromaticContact CE1-CH2 3.72Å; F724-W788 HydrophobicContact CE1-CH2 3.72Å; F724-W788 AromaticContact CE1-CZ2 3.33Å; F724-W788 HydrophobicContact CE1-CZ2 3.33Å; F724-W788 HydrophobicContact CE1-CZ3 4.48Å; F724-W788 AromaticContact CZ-CZ2 3.74Å; F724-W788 HydrophobicContact CZ-CZ2 3.74Å
725	G	92.2	Very high	89.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-54.1	176.5	0	0	0	0	0	112	C571 L712 D723 A727 L728 L729	C571-G725 VanDerWaalsContact SG-CA 3.56Å; L712-G725 PolarHBondContact O-N 3.19Å; D723-G725 PolarHBondContact O-N 3.29Å; D723-G725 WeakPolarHBondContact OD1-CA 3.49Å; D723-G725 PolarHBondContact OD1-N 2.81Å; G725-A727 PolarHBondContact O-N 2.84Å; G725-L728 PolarHBondContact O-N 3.06Å; G725-L729 VanDerWaalsContact O-CB 3.23Å; G725-L729 WeakPolarHBondContact O-CB 3.45Å; G725-L729 WeakPolarHBondContact O-CG 3.38Å; G725-L729 PolarHBondContact O-N 2.8Å
726	S	93.6	Very high	90.2	Very high	35 Å²	35	35.2 Å²	35.2	25%	0.245	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-44	178	-84.7	0	0	0	0	112.9	K573 D723 L728 L729 T730	K573-S726 PolarHBondContact NZ-OG 3.34Å; D723-S726 PolarHBondContact O-N 3.36Å; D723-S726 WeakPolarHBondContact OD1-CB 3.47Å; D723-S726 PolarHBondContact OD1-N 2.8Å; D723-S726 PolarHBondContact OD1-OG 2.62Å; D723-S726 PolarHBondContact OD2-OG 3.23Å; S726-L728 PolarHBondContact O-N 3.46Å; S726-L729 CarbonylContact O-C 3.42Å; S726-L729 PolarHBondContact O-N 3.39Å; S726-T730 PolarHBondContact O-N 3.48Å
727	A	93	Very high	90.9	Very high	9 Å²	9	43.7 Å²	43.7	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-43.5	178.8	0	0	0	0	0	111.6	A716 W718 L722 D723 G725 T730	A716-A727 HydrophobicContact CB-CB 3.7Å; W718-A727 HydrophobicContact CZ2-CB 3.78Å; L722-A727 HydrophobicContact CB-CB 4.19Å; L722-A727 HydrophobicContact CD1-CB 4.29Å; D723-A727 PolarHBondContact O-N 3.26Å; G725-A727 PolarHBondContact O-N 2.84Å; A727-T730 WeakPolarHBondContact O-CB 3.48Å; A727-T730 PolarHBondContact O-N 2.98Å; A727-T730 PolarHBondContact O-OG1 2.96Å
728	L	94.8	Very high	91.7	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-72.2	-28.5	176.5	-69.6	172	0	0	0	113.2	K564 I693 F698 I701 I705 L712 W718 F724 G725 S726 T730	K564-L728 WeakPolarHBondContact CE-O 3.35Å; I693-L728 HydrophobicContact CD1-CD2 3.82Å; F698-L728 HydrophobicContact CE1-CB 4.17Å; F698-L728 VanDerWaalsContact CZ-O 3.26Å; F698-L728 WeakPolarHBondContact CZ-O 3.27Å; I701-L728 HydrophobicContact CD1-CD2 4.42Å; I701-L728 HydrophobicContact CG2-CD1 3.91Å; I701-L728 HydrophobicContact CG2-CD2 3.87Å; I705-L728 HydrophobicContact CD1-CD1 3.57Å; L712-L728 HydrophobicContact CD2-CD1 4.44Å; W718-L728 HydrophobicContact CH2-CD2 3.93Å; W718-L728 HydrophobicContact CH2-CG 4.13Å; W718-L728 HydrophobicContact CZ2-CD2 4Å; W718-L728 HydrophobicContact CZ2-CG 4.19Å; F724-L728 HydrophobicContact CD1-CD1 4.41Å; F724-L728 WeakPolarHBondContact O-CB 3.41Å; F724-L728 WeakPolarHBondContact O-CD1 3.48Å; F724-L728 WeakPolarHBondContact O-CG 3.1Å; F724-L728 PolarHBondContact O-N 3.21Å; F724-L728 VanDerWaalsContact O-N 3.12Å; G725-L728 PolarHBondContact O-N 3.06Å; S726-L728 PolarHBondContact O-N 3.46Å; L728-T730 VanDerWaalsContact C-N 3.26Å; L728-T730 PolarHBondContact O-N 3.23Å
729	L	95.5	Very high	92.4	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	12.3	177	-69.4	172.2	0	0	0	113.7	K564 I567 A568 C571 K573 T576 I577 G725 S726 P731	K564-L729 HydrophobicContact CG-CD2 4.13Å; I567-L729 HydrophobicContact CB-CD2 4.22Å; I567-L729 HydrophobicContact CG2-CD1 4.1Å; I567-L729 HydrophobicContact CG2-CD2 4.01Å; I567-L729 HydrophobicContact CG2-CG 3.82Å; A568-L729 HydrophobicContact CB-CD1 4.48Å; A568-L729 HydrophobicContact CB-CD2 3.95Å; C571-L729 HydrophobicContact CB-CD1 3.96Å; K573-L729 HydrophobicContact CB-CD1 3.98Å; K573-L729 HydrophobicContact CD-CD1 4.48Å; T576-L729 WeakPolarHBondContact CB-O 3.22Å; T576-L729 WeakPolarHBondContact CG2-O 3.38Å; T576-L729 PolarHBondContact OG1-O 3.04Å; I577-L729 HydrophobicContact CG2-CD2 4.07Å; G725-L729 VanDerWaalsContact O-CB 3.23Å; G725-L729 WeakPolarHBondContact O-CB 3.45Å; G725-L729 WeakPolarHBondContact O-CG 3.38Å; G725-L729 PolarHBondContact O-N 2.8Å; S726-L729 CarbonylContact O-C 3.42Å; S726-L729 PolarHBondContact O-N 3.39Å; L729-P731 WeakPolarHBondContact O-CD 3.49Å
730	T	95.6	Very high	93.2	Very high	45 Å²	45	39.4 Å²	39.4	28%	0.276	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-53.5	126.4	169	-58.5	0	0	0	0	109.8	K564 S726 A727 L728	K564-T730 PolarHBondContact NZ-O 3.14Å; S726-T730 PolarHBondContact O-N 3.48Å; A727-T730 WeakPolarHBondContact O-CB 3.48Å; A727-T730 PolarHBondContact O-N 2.98Å; A727-T730 PolarHBondContact O-OG1 2.96Å; L728-T730 VanDerWaalsContact C-N 3.26Å; L728-T730 PolarHBondContact O-N 3.23Å
731	P	96.6	Very high	94	Very high	36 Å²	36	35.5 Å²	35.5	23%	0.234	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-64.3	144.3	-180	-22.5	31.2	0	0	0	113.7	T576 I579 S691 L729	T576-P731 HydrophobicContact CG2-CG 3.84Å; I579-P731 HydrophobicContact CB-CB 4.1Å; I579-P731 HydrophobicContact CD1-CG 4.18Å; I579-P731 HydrophobicContact CG2-CB 3.86Å; S691-P731 WeakPolarHBondContact CB-O 3.5Å; S691-P731 PolarHBondContact OG-O 3.42Å; L729-P731 WeakPolarHBondContact O-CD 3.49Å
732	T	96.9	Very high	94.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-60.9	129.9	166.7	-60.1	0	0	0	0	109.6	D580 A583 M584 H694	D580-T732 WeakPolarHBondContact OD1-CB 3.42Å; D580-T732 PolarHBondContact OD1-N 3.45Å; D580-T732 PolarHBondContact OD1-OG1 3.18Å; A583-T732 HydrophobicContact CB-CG2 3.79Å; A583-T732 WeakPolarHBondContact CB-O 3.27Å; M584-T732 HydrophobicContact SD-CG2 4.46Å; H694-T732 WeakPolarHBondContact CA-OG1 3.42Å; H694-T732 HydrophobicContact CB-CG2 4.3Å
733	K	96.6	Very high	95	Very high	61 Å²	61	25.5 Å²	25.5	27%	0.265	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-70.3	135.6	-176.1	-173.3	170.4	-176.8	-176.6	0	111.8	N587 S691 Y735 E831	N587-K733 PolarHBondContact ND2-O 3.47Å; S691-K733 PolarHBondContact OG-N 2.96Å; K733-Y735 HydrophobicContact CB-CE1 4.46Å; K733-Y735 HydrophobicContact CB-CE2 3.93Å; K733-Y735 HydrophobicContact CD-CD1 4.36Å; K733-Y735 HydrophobicContact CD-CE1 3.76Å; K733-Y735 HydrophobicContact CG-CD1 4.48Å; K733-Y735 HydrophobicContact CG-CE1 4.1Å; K733-Y735 HydrophobicContact CG-CE2 4.25Å; K733-Y735 VanDerWaalsContact O-CD2 3.31Å; K733-Y735 WeakPolarHBondContact O-CD2 3.33Å; K733-Y735 VanDerWaalsContact O-CE2 3.23Å; K733-Y735 WeakPolarHBondContact O-CE2 3.25Å; K733-E831 WeakPolarHBondContact CE-OE1 3.36Å; K733-E831 WeakPolarHBondContact CE-OE2 3.42Å; K733-E831 IonicContact NZ-OE1 2.65Å; K733-E831 PolarHBondContact NZ-OE1 3.46Å; K733-E831 IonicContact NZ-OE2 2.8Å; K733-E831 PolarHBondContact NZ-OE2 3.48Å
734	I	98	Very high	95.2	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.072	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-92.8	118.9	172.9	-64.6	176.7	0	0	0	108.9	I579 V582 A583 V586 G623 Q626 A627 V736	I579-I734 HydrophobicContact CG2-CD1 4.21Å; V582-I734 HydrophobicContact CG1-CD1 4.28Å; A583-I734 HydrophobicContact CB-CD1 4.21Å; A583-I734 HydrophobicContact CB-CG1 3.54Å; V586-I734 HydrophobicContact CG2-CG1 4.47Å; V586-I734 HydrophobicContact CG2-CG2 4.04Å; G623-I734 VanDerWaalsContact O-CD1 3.31Å; G623-I734 WeakPolarHBondContact O-CD1 3.42Å; Q626-I734 HydrophobicContact CB-CB 4.4Å; Q626-I734 HydrophobicContact CB-CD1 4.05Å; Q626-I734 HydrophobicContact CB-CG2 4.39Å; A627-I734 HydrophobicContact CB-CG2 3.95Å; I734-V736 HydrophobicContact CG2-CB 4.28Å; I734-V736 HydrophobicContact CG2-CG2 3.86Å
735	Y	98	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.			trans	-98	-1.9	-173.7	-63.6	-87.9	0	0	0	114.3	N587 L688 A689 S690 K733 K737 S738 L739 M810	N587-Y735 PolarHBondContact OD1-N 3.16Å; L688-Y735 HydrophobicContact CB-CE1 4.05Å; L688-Y735 HydrophobicContact CD2-CD1 3.84Å; L688-Y735 HydrophobicContact CD2-CE1 4.18Å; A689-Y735 PolarHBondContact O-OH 2.96Å; S690-Y735 WeakPolarHBondContact CA-OH 3.08Å; K733-Y735 HydrophobicContact CB-CE1 4.46Å; K733-Y735 HydrophobicContact CB-CE2 3.93Å; K733-Y735 HydrophobicContact CD-CD1 4.36Å; K733-Y735 HydrophobicContact CD-CE1 3.76Å; K733-Y735 HydrophobicContact CG-CD1 4.48Å; K733-Y735 HydrophobicContact CG-CE1 4.1Å; K733-Y735 HydrophobicContact CG-CE2 4.25Å; K733-Y735 VanDerWaalsContact O-CD2 3.31Å; K733-Y735 WeakPolarHBondContact O-CD2 3.33Å; K733-Y735 VanDerWaalsContact O-CE2 3.23Å; K733-Y735 WeakPolarHBondContact O-CE2 3.25Å; Y735-K737 PolarHBondContact O-N 2.94Å; Y735-S738 PolarHBondContact O-N 3.22Å; Y735-S738 PolarHBondContact O-OG 3.1Å; Y735-S738 VanDerWaalsContact O-OG 3.13Å; Y735-L739 VanDerWaalsContact O-CB 3.26Å; Y735-L739 WeakPolarHBondContact O-CB 3.4Å; Y735-L739 PolarHBondContact O-N 2.92Å; Y735-M810 HydrophobicContact CD1-CG 4.03Å; Y735-M810 HydrophobicContact CD2-CG 3.32Å; Y735-M810 HydrophobicContact CD2-SD 3.99Å; Y735-M810 HydrophobicContact CE1-CG 4.24Å; Y735-M810 HydrophobicContact CE2-CG 3.59Å; Y735-M810 HydrophobicContact CE2-SD 4.44Å; Y735-M810 HydrophobicContact CG-CG 3.56Å
736	V	97.7	Very high	95.3	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.024	16%	0.163	C	C	.	.	H	α-helix	trans	-53.3	-51.3	-170	-178.1	0	0	0	0	112.2	V586 L590 P596 A627 I734 S738 L740	V586-V736 HydrophobicContact CB-CG2 4.24Å; V586-V736 HydrophobicContact CG2-CG2 3.94Å; L590-V736 HydrophobicContact CD1-CG1 4.48Å; L590-V736 HydrophobicContact CD2-CB 4.43Å; L590-V736 HydrophobicContact CD2-CG2 4.11Å; P596-V736 HydrophobicContact CG-CG1 3.93Å; P596-V736 HydrophobicContact CG-CG2 3.83Å; A627-V736 HydrophobicContact CB-CG2 4.18Å; A627-V736 WeakPolarHBondContact O-CG1 3.22Å; I734-V736 HydrophobicContact CG2-CB 4.28Å; I734-V736 HydrophobicContact CG2-CG2 3.86Å; V736-S738 PolarHBondContact O-N 3.41Å; V736-L740 WeakPolarHBondContact O-CB 3.27Å; V736-L740 PolarHBondContact O-N 2.82Å
737	K	96	Very high	95.2	Very high	179 Å²	179	31.5 Å²	31.5	78%	0.778	17%	0.166	S	C	*	.	H	α-helix	trans	-65.7	-34.9	-176	-174.4	177.5	180	178.8	0	113.9	Y735	Y735-K737 PolarHBondContact O-N 2.94Å
738	S	95.4	Very high	95.3	Very high	8 Å²	8	31.1 Å²	31.1	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-84.3	-37.9	-179.2	44.7	0	0	0	0	112.2	Y735 V736 R829 E831	Y735-S738 PolarHBondContact O-N 3.22Å; Y735-S738 PolarHBondContact O-OG 3.1Å; Y735-S738 VanDerWaalsContact O-OG 3.13Å; V736-S738 PolarHBondContact O-N 3.41Å; S738-R829 WeakPolarHBondContact O-CD 3.11Å; S738-E831 WeakPolarHBondContact CB-OE1 2.83Å; S738-E831 PolarHBondContact OG-OE1 3.38Å
739	L	96.7	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-94.1	-35.9	-171.2	-177.8	58.7	0	0	0	114.6	L590 Y735 P741 I742 L743 M810 L812 L826	L590-L739 HydrophobicContact CD2-CB 4.28Å; L590-L739 HydrophobicContact CD2-CD2 4Å; L590-L739 HydrophobicContact CD2-CG 4.46Å; L590-L739 HydrophobicContact CG-CD2 4.43Å; Y735-L739 VanDerWaalsContact O-CB 3.26Å; Y735-L739 WeakPolarHBondContact O-CB 3.4Å; Y735-L739 PolarHBondContact O-N 2.92Å; L739-P741 VanDerWaalsContact C-CD 3.49Å; L739-I742 HydrophobicContact CD1-CB 4.49Å; L739-I742 WeakPolarHBondContact O-CA 3.39Å; L739-I742 WeakPolarHBondContact O-CB 3.35Å; L739-I742 PolarHBondContact O-N 3.44Å; L739-L743 HydrophobicContact CD1-CD2 4.01Å; L739-L743 HydrophobicContact CD1-CG 4.12Å; L739-L743 HydrophobicContact CD2-CD1 4.35Å; L739-L743 HydrophobicContact CG-CD1 4.01Å; L739-L743 HydrophobicContact CG-CD2 4.16Å; L739-L743 HydrophobicContact CG-CG 3.89Å; L739-L743 PolarHBondContact O-N 2.91Å; L739-M810 HydrophobicContact CD2-CE 3.76Å; L739-L812 HydrophobicContact CD1-CD1 3.68Å; L739-L812 HydrophobicContact CD1-CD2 3.75Å; L739-L812 HydrophobicContact CD1-CG 4.36Å; L739-L812 HydrophobicContact CD2-CD2 3.94Å; L739-L812 HydrophobicContact CG-CD2 4.48Å; L739-L826 HydrophobicContact CD1-CD2 4.47Å
740	L	96.5	Very high	95.4	Very high	25 Å²	25	30.9 Å²	30.9	13%	0.131	16%	0.162	C	C	.	.	H	α-helix	trans	-54.5	-43.5	-175.8	-179.2	67	0	0	0	113.9	L590 E595 V736 I742 L743 R744	L590-L740 HydrophobicContact CD1-CB 3.94Å; L590-L740 HydrophobicContact CD1-CD1 4.07Å; E595-L740 HydrophobicContact CB-CD1 4.38Å; E595-L740 HydrophobicContact CB-CD2 3.75Å; E595-L740 HydrophobicContact CG-CD2 3.67Å; V736-L740 WeakPolarHBondContact O-CB 3.27Å; V736-L740 PolarHBondContact O-N 2.82Å; L740-I742 PolarHBondContact O-N 2.8Å; L740-L743 PolarHBondContact O-N 2.85Å; L740-R744 HydrophobicContact CD1-CG 4.21Å; L740-R744 HydrophobicContact CG-CG 4.34Å; L740-R744 WeakPolarHBondContact O-CB 3.47Å; L740-R744 VanDerWaalsContact O-CG 3.27Å; L740-R744 WeakPolarHBondContact O-CG 3.36Å; L740-R744 PolarHBondContact O-N 3Å
741	P	94.6	Very high	95.5	Very high	59 Å²	59	28.8 Å²	28.8	38%	0.383	15%	0.149	S	C	.	.	H	α-helix	trans	-60.3	-30.2	176.5	-23.4	35	0	0	0	113.3	L739 S745	L739-P741 VanDerWaalsContact C-CD 3.49Å; P741-S745 PolarHBondContact O-N 3.43Å
742	I	95.1	Very high	95.5	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-80.1	-39.1	-178.7	-55.8	179.8	0	0	0	110.2	L739 L740 R744 S745 V748 V822 C825 L826	L739-I742 HydrophobicContact CD1-CB 4.49Å; L739-I742 WeakPolarHBondContact O-CA 3.39Å; L739-I742 WeakPolarHBondContact O-CB 3.35Å; L739-I742 PolarHBondContact O-N 3.44Å; L740-I742 PolarHBondContact O-N 2.8Å; I742-R744 VanDerWaalsContact C-N 3.34Å; I742-S745 WeakPolarHBondContact O-CB 3.36Å; I742-S745 PolarHBondContact O-N 2.85Å; I742-S745 PolarHBondContact O-OG 3.26Å; I742-V748 HydrophobicContact CG2-CG2 4.04Å; I742-V822 HydrophobicContact CG2-CB 4.47Å; I742-V822 HydrophobicContact CG2-CG1 4Å; I742-V822 HydrophobicContact CG2-CG2 4.09Å; I742-C825 HydrophobicContact CD1-CB 3.92Å; I742-C825 HydrophobicContact CG1-CB 4.3Å; I742-L826 HydrophobicContact CD1-CB 4.43Å; I742-L826 HydrophobicContact CD1-CD2 3.6Å; I742-L826 HydrophobicContact CD1-CG 3.56Å
743	L	95	Very high	95.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-62.9	-41.6	171.3	-57	178.9	0	0	0	111.4	L590 N593 L666 L739 L740 S745 G746 V748 A751	L590-L743 HydrophobicContact CD1-CD1 3.82Å; L590-L743 HydrophobicContact CG-CD1 4.02Å; L590-L743 WeakPolarHBondContact O-CD1 3.46Å; N593-L743 HydrophobicContact CB-CB 4.19Å; N593-L743 PolarHBondContact ND2-O 2.81Å; N593-L743 VanDerWaalsContact OD1-CB 3.25Å; N593-L743 WeakPolarHBondContact OD1-CB 3.45Å; L666-L743 HydrophobicContact CD1-CD2 3.95Å; L739-L743 HydrophobicContact CD1-CD2 4.01Å; L739-L743 HydrophobicContact CD1-CG 4.12Å; L739-L743 HydrophobicContact CD2-CD1 4.35Å; L739-L743 HydrophobicContact CG-CD1 4.01Å; L739-L743 HydrophobicContact CG-CD2 4.16Å; L739-L743 HydrophobicContact CG-CG 3.89Å; L739-L743 PolarHBondContact O-N 2.91Å; L740-L743 PolarHBondContact O-N 2.85Å; L743-S745 PolarHBondContact O-N 3.16Å; L743-G746 PolarHBondContact O-N 2.96Å; L743-V748 HydrophobicContact CD2-CB 3.86Å; L743-V748 HydrophobicContact CD2-CG1 3.73Å; L743-V748 HydrophobicContact CD2-CG2 4.07Å; L743-A751 HydrophobicContact CD2-CB 4.19Å
744	R	93.2	Very high	95.6	Very high	61 Å²	61	24.8 Å²	24.8	23%	0.23	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-22.1	174.4	-69.6	-77.5	-172.8	-110.7	8.7	113.4	Y549 N593 A657 D663 L740 I742 G746	Y549-R744 PolarHBondContact OH-NH2 3.39Å; N593-R744 VanDerWaalsContact CG-NH1 3.3Å; N593-R744 PolarHBondContact O-NH1 2.93Å; N593-R744 PolarHBondContact OD1-NH1 3.1Å; A657-R744 PolarHBondContact O-NH2 3.01Å; D663-R744 VanDerWaalsContact CG-CZ 3.48Å; D663-R744 VanDerWaalsContact OD1-CD 3.26Å; D663-R744 WeakPolarHBondContact OD1-CD 3.42Å; D663-R744 IonicContact OD1-CZ 3.93Å; D663-R744 IonicContact OD1-NE 3.84Å; D663-R744 IonicContact OD2-CZ 2.94Å; D663-R744 IonicContact OD2-NE 3.69Å; D663-R744 PolarHBondContact OD2-NE 2.82Å; D663-R744 IonicContact OD2-NH1 3.95Å; D663-R744 PolarHBondContact OD2-NH1 3.49Å; D663-R744 IonicContact OD2-NH2 3.38Å; D663-R744 PolarHBondContact OD2-NH2 3.34Å; L740-R744 HydrophobicContact CD1-CG 4.21Å; L740-R744 HydrophobicContact CG-CG 4.34Å; L740-R744 WeakPolarHBondContact O-CB 3.47Å; L740-R744 VanDerWaalsContact O-CG 3.27Å; L740-R744 WeakPolarHBondContact O-CG 3.36Å; L740-R744 PolarHBondContact O-N 3Å; I742-R744 VanDerWaalsContact C-N 3.34Å; R744-G746 VanDerWaalsContact C-N 3.25Å; R744-G746 PolarHBondContact O-N 3.14Å
745	S	91.9	Very high	95.3	Very high	58 Å²	58	24.6 Å²	24.6	41%	0.406	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14	175.6	80.3	0	0	0	0	114.6	P741 I742 L743 K747	P741-S745 PolarHBondContact O-N 3.43Å; I742-S745 WeakPolarHBondContact O-CB 3.36Å; I742-S745 PolarHBondContact O-N 2.85Å; I742-S745 PolarHBondContact O-OG 3.26Å; L743-S745 PolarHBondContact O-N 3.16Å; S745-K747 VanDerWaalsContact C-N 3.25Å; S745-K747 PolarHBondContact O-N 3.49Å; S745-K747 WeakPolarHBondContact OG-CD 3.38Å; S745-K747 WeakPolarHBondContact OG-CG 2.99Å; S745-K747 PolarHBondContact OG-N 2.89Å
746	G	89.7	Confident	94.8	Very high	17 Å²	17	25.5 Å²	25.5	18%	0.175	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	4.2	-179	0	0	0	0	0	115.9	N677 L743 R744	N677-G746 PolarHBondContact ND2-O 2.89Å; L743-G746 PolarHBondContact O-N 2.96Å; R744-G746 VanDerWaalsContact C-N 3.25Å; R744-G746 PolarHBondContact O-N 3.14Å
747	K	92.4	Very high	94.5	Very high	71 Å²	71	25.9 Å²	25.9	31%	0.309	14%	0.142	S	C	.	.			trans	-76.1	-21	177.8	-65.3	171.3	177.2	-95.2	0	114	S745 E818 V822	S745-K747 VanDerWaalsContact C-N 3.25Å; S745-K747 PolarHBondContact O-N 3.49Å; S745-K747 WeakPolarHBondContact OG-CD 3.38Å; S745-K747 WeakPolarHBondContact OG-CG 2.99Å; S745-K747 PolarHBondContact OG-N 2.89Å; K747-E818 HydrophobicContact CB-CB 4.35Å; K747-E818 HydrophobicContact CB-CG 4.35Å; K747-E818 VanDerWaalsContact CD-OE2 3.27Å; K747-E818 WeakPolarHBondContact CD-OE2 3.28Å; K747-E818 WeakPolarHBondContact CE-OE2 3.23Å; K747-E818 HydrophobicContact CG-CG 4.35Å; K747-E818 WeakPolarHBondContact CG-OE2 3.29Å; K747-E818 IonicContact NZ-OE1 2.62Å; K747-E818 IonicContact NZ-OE2 3.51Å; K747-E818 PolarHBondContact NZ-OE2 3.01Å; K747-V822 HydrophobicContact CB-CG2 3.83Å; K747-V822 HydrophobicContact CD-CG2 4.21Å
748	V	95.1	Very high	94.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.5	-179.1	179.1	0	0	0	0	110.1	L666 I742 L743 A750 L812 V814	L666-V748 HydrophobicContact CD1-CG1 4.4Å; L666-V748 WeakPolarHBondContact CD2-O 3.27Å; I742-V748 HydrophobicContact CG2-CG2 4.04Å; L743-V748 HydrophobicContact CD2-CB 3.86Å; L743-V748 HydrophobicContact CD2-CG1 3.73Å; L743-V748 HydrophobicContact CD2-CG2 4.07Å; V748-A750 WeakPolarHBondContact CG1-O 3.45Å; V748-L812 HydrophobicContact CG1-CB 4.28Å; V748-L812 HydrophobicContact CG1-CD2 4.31Å; V748-L812 HydrophobicContact CG2-CD1 4.41Å; V748-V814 HydrophobicContact CG2-CG1 4.12Å
749	K	95.2	Very high	94.4	Very high	1 Å²	1	17 Å²	17	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-29.8	-178.4	-59.9	-178.9	176.2	-176.2	0	113.1	L668 R678 I679 D683 I813 E815	L668-K749 HydrophobicContact CB-CB 4.47Å; L668-K749 HydrophobicContact CD1-CB 4.46Å; L668-K749 HydrophobicContact CD1-CG 4.42Å; L668-K749 PolarHBondContact N-O 2.86Å; R678-K749 PolarHBondContact O-NZ 3.29Å; I679-K749 HydrophobicContact CG1-CB 3.99Å; D683-K749 IonicContact OD1-NZ 2.73Å; D683-K749 PolarHBondContact OD1-NZ 3.02Å; D683-K749 WeakPolarHBondContact OD2-CD 3.12Å; D683-K749 IonicContact OD2-NZ 2.67Å; D683-K749 PolarHBondContact OD2-NZ 3.19Å; K749-I813 PolarHBondContact N-O 2.98Å; K749-E815 IonicContact NZ-OE2 3.49Å; K749-E815 PolarHBondContact NZ-OE2 3.37Å
750	A	96.3	Very high	94.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	154.6	169.7	0	0	0	0	0	110.6	P667 I679 V748 V766 L812 I813	P667-A750 HydrophobicContact CB-CB 3.87Å; I679-A750 HydrophobicContact CD1-CB 3.94Å; V748-A750 WeakPolarHBondContact CG1-O 3.45Å; A750-V766 HydrophobicContact CB-CB 3.9Å; A750-V766 HydrophobicContact CB-CG1 4.45Å; A750-V766 HydrophobicContact CB-CG2 3.85Å; A750-L812 CarbonylContact O-C 3.53Å; A750-L812 WeakPolarHBondContact O-CA 3.5Å; A750-I813 HydrophobicContact CB-CB 4.3Å; A750-I813 HydrophobicContact CB-CD1 4.3Å; A750-I813 HydrophobicContact CB-CG1 4.43Å; A750-I813 PolarHBondContact N-O 2.65Å; A750-I813 PolarHBondContact O-N 3.4Å
751	A	97.7	Very high	94.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.3	170.5	0	0	0	0	0	109.1	T591 L743 V811 L812	T591-A751 WeakPolarHBondContact CB-O 3.28Å; L743-A751 HydrophobicContact CD2-CB 4.19Å; A751-V811 CarbonylContact C-O 3.59Å; A751-V811 VanDerWaalsContact CA-O 3.3Å; A751-V811 WeakPolarHBondContact CA-O 3.28Å; A751-L812 HydrophobicContact CB-CD2 3.68Å
752	V	98.1	Very high	94.3	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.042	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	129.8	-177.4	-178.6	0	0	0	0	108.2	N762 V766 M810 V811	V752-N762 HydrophobicContact CG1-CB 3.68Å; V752-N762 WeakPolarHBondContact CG1-O 3.24Å; V752-V766 HydrophobicContact CG2-CB 4.3Å; V752-V766 HydrophobicContact CG2-CG1 3.89Å; V752-V766 HydrophobicContact CG2-CG2 3.4Å; V752-V766 VanDerWaalsContact CG2-CG2 3.4Å; V752-M810 CarbonylContact O-C 3.58Å; V752-M810 VanDerWaalsContact O-CA 3.3Å; V752-M810 WeakPolarHBondContact O-CA 3.48Å; V752-V811 HydrophobicContact CB-CB 4.21Å; V752-V811 PolarHBondContact N-O 2.85Å; V752-V811 PolarHBondContact O-N 3.31Å
753	H	97.6	Very high	94.3	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.028	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.6	167.7	-176.9	-145	0	0	0	108.8	N587 D588 T591 H694 T755 G809 M810	N587-H753 HydrophobicContact CB-CB 4.26Å; N587-H753 PolarHBondContact ND2-NE2 2.83Å; N587-H753 VanDerWaalsContact ND2-NE2 3.16Å; D588-H753 WeakPolarHBondContact OD1-CB 3.48Å; D588-H753 IonicContact OD1-CE1 3.06Å; D588-H753 IonicContact OD1-CG 2.64Å; D588-H753 IonicContact OD1-ND1 3.56Å; D588-H753 PolarHBondContact OD1-ND1 3.34Å; T591-H753 HydrophobicContact CG2-CB 4.05Å; H694-H753 AromaticContact CE1-NE2 3.84Å; H694-H753 AromaticContact ND1-NE2 3.83Å; H753-T755 WeakPolarHBondContact CE1-CG2 3.33Å; H753-T755 VanDerWaalsContact ND1-CG2 3.26Å; H753-T755 WeakPolarHBondContact ND1-CG2 3.28Å; H753-T755 PolarHBondContact O-N 2.93Å; H753-G809 PolarHBondContact CD2-O 2.83Å; H753-M810 VanDerWaalsContact CA-SD 3.56Å; H753-M810 HydrophobicContact CB-CE 4.37Å; H753-M810 HydrophobicContact CB-SD 3.71Å; H753-M810 VanDerWaalsContact CD2-SD 3.59Å
754	V	96.9	Very high	94.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.			trans	-95.5	100	-172.8	-170.8	0	0	0	0	109.1	H694 L759 N805 I808 G809 V811	H694-V754 PolarHBondContact CE1-O 2.93Å; H694-V754 PolarHBondContact ND1-O 3.25Å; V754-L759 HydrophobicContact CG1-CD2 4Å; V754-L759 HydrophobicContact CG1-CG 4.35Å; V754-L759 HydrophobicContact CG2-CD2 4.07Å; V754-N805 HydrophobicContact CB-CB 4.18Å; V754-N805 HydrophobicContact CG1-CB 3.74Å; V754-I808 VanDerWaalsContact CB-O 3.28Å; V754-I808 WeakPolarHBondContact CB-O 3.5Å; V754-I808 HydrophobicContact CG2-CG2 4.39Å; V754-I808 WeakPolarHBondContact CG2-O 3.49Å; V754-G809 PolarHBondContact N-O 2.98Å; V754-V811 HydrophobicContact CG2-CG2 3.91Å
755	T	93.3	Very high	94.3	Very high	11 Å²	11	23.7 Å²	23.7	7%	0.067	13%	0.129	C	C	.	.			trans	-119	-141.1	-176.2	61.7	0	0	0	0	110.3	M584 H753 G758 N762	M584-T755 HydrophobicContact CE-CG2 3.51Å; M584-T755 HydrophobicContact SD-CG2 4.33Å; H753-T755 WeakPolarHBondContact CE1-CG2 3.33Å; H753-T755 VanDerWaalsContact ND1-CG2 3.26Å; H753-T755 WeakPolarHBondContact ND1-CG2 3.28Å; H753-T755 PolarHBondContact O-N 2.93Å; T755-G758 PolarHBondContact O-N 3.15Å; T755-N762 PolarHBondContact N-ND2 2.96Å; T755-N762 PolarHBondContact O-ND2 3.02Å
756	G	86.8	Confident	94.3	Very high	18 Å²	18	21.8 Å²	21.8	19%	0.186	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	142.4	171.7	0	0	0	0	0	111.3	N696 G758 N762	N696-G756 PolarHBondContact ND2-N 2.95Å; N696-G756 PolarHBondContact OD1-N 2.9Å; G756-G758 VanDerWaalsContact C-N 3.27Å; G756-N762 PolarHBondContact O-ND2 2.8Å
757	G	90.5	Very high	94.5	Very high	13 Å²	13	21.7 Å²	21.7	13%	0.134	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-6.6	-167.4	0	0	0	0	0	113.7	I760 D761 H802	G757-I760 PolarHBondContact O-N 3.2Å; G757-D761 PolarHBondContact O-N 2.96Å; G757-H802 CarbonylContact C-O 3.59Å; G757-H802 WeakPolarHBondContact CA-O 3.48Å; G757-H802 PolarHBondContact N-O 3.29Å
758	G	94.2	Very high	94.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	56.2	-144.8	171.9	0	0	0	0	0	113.3	T755 G756 I760 N762 A801 H802 F804	T755-G758 PolarHBondContact O-N 3.15Å; G756-G758 VanDerWaalsContact C-N 3.27Å; G758-I760 VanDerWaalsContact C-N 3.32Å; G758-N762 PolarHBondContact N-ND2 3.01Å; G758-N762 WeakPolarHBondContact O-CB 3.43Å; G758-N762 PolarHBondContact O-ND2 2.8Å; G758-A801 CarbonylContact C-O 3.58Å; G758-A801 WeakPolarHBondContact CA-O 3.4Å; G758-H802 PolarHBondContact N-O 2.97Å; G758-F804 WeakPolarHBondContact CA-O 3.37Å
759	L	95.6	Very high	94	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-75.1	-23.9	176	-67.4	171	0	0	0	112.3	V754 I763 L775 W780 A801 I808 V811 I853	V754-L759 HydrophobicContact CG1-CD2 4Å; V754-L759 HydrophobicContact CG1-CG 4.35Å; V754-L759 HydrophobicContact CG2-CD2 4.07Å; L759-I763 HydrophobicContact CB-CD1 4.43Å; L759-I763 HydrophobicContact CD2-CD1 4.23Å; L759-I763 WeakPolarHBondContact O-CD1 3.3Å; L759-I763 WeakPolarHBondContact O-CG1 3.31Å; L759-L775 HydrophobicContact CB-CD1 4.46Å; L759-L775 HydrophobicContact CD1-CD1 4.35Å; L759-W780 HydrophobicContact CD1-CH2 3.9Å; L759-W780 HydrophobicContact CD1-CZ2 3.69Å; L759-A801 PolarHBondContact N-O 2.75Å; L759-I808 HydrophobicContact CD2-CB 4.28Å; L759-I808 HydrophobicContact CD2-CG2 4.28Å; L759-V811 HydrophobicContact CD2-CG2 4.04Å; L759-I853 HydrophobicContact CB-CD1 4.13Å; L759-I853 HydrophobicContact CD1-CD1 4.25Å
760	I	95.1	Very high	93.8	Very high	29 Å²	29	27.4 Å²	27.4	15%	0.149	15%	0.151	C	C	.	.	H	α-helix	trans	-74.3	-43.9	-173	-58.1	-61	0	0	0	112.1	G757 G758 P764 A801 H802 V851 I853	G757-I760 PolarHBondContact O-N 3.2Å; G758-I760 VanDerWaalsContact C-N 3.32Å; I760-P764 WeakPolarHBondContact O-CD 3.46Å; I760-P764 WeakPolarHBondContact O-CG 3.48Å; I760-A801 HydrophobicContact CG1-CB 4.42Å; I760-H802 HydrophobicContact CB-CB 4.3Å; I760-H802 HydrophobicContact CG1-CB 4.13Å; I760-V851 HydrophobicContact CD1-CB 4.33Å; I760-V851 HydrophobicContact CD1-CG1 3.91Å; I760-I853 HydrophobicContact CD1-CD1 3.7Å; I760-I853 HydrophobicContact CD1-CG1 4.07Å
761	D	94.1	Very high	93.7	Very high	68 Å²	68	27.9 Å²	27.9	36%	0.364	15%	0.154	S	C	.	.	H	α-helix	trans	-102.3	-18.6	-172	-60.6	-2	0	0	0	113.9	G757 R765 H802	G757-D761 PolarHBondContact O-N 2.96Å; D761-R765 PolarHBondContact O-NE 2.83Å; D761-H802 IonicContact OD1-CE1 3.77Å; D761-H802 PolarHBondContact OD1-CE1 3.13Å; D761-H802 IonicContact OD1-ND1 2.65Å; D761-H802 PolarHBondContact OD1-ND1 2.83Å; D761-H802 IonicContact OD2-CE1 3.45Å; D761-H802 PolarHBondContact OD2-CE1 3.42Å; D761-H802 IonicContact OD2-ND1 3.99Å; D761-H802 PolarHBondContact OD2-ND1 3.01Å; D761-H802 IonicContact OD2-NE2 2.78Å
762	N	95.9	Very high	93.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-83.3	-40.2	-179.3	-70.7	-57.4	0	0	0	112.6	V752 T755 G756 G758 R765	V752-N762 HydrophobicContact CG1-CB 3.68Å; V752-N762 WeakPolarHBondContact CG1-O 3.24Å; T755-N762 PolarHBondContact N-ND2 2.96Å; T755-N762 PolarHBondContact O-ND2 3.02Å; G756-N762 PolarHBondContact O-ND2 2.8Å; G758-N762 PolarHBondContact N-ND2 3.01Å; G758-N762 WeakPolarHBondContact O-CB 3.43Å; G758-N762 PolarHBondContact O-ND2 2.8Å; N762-R765 WeakPolarHBondContact O-CB 3.48Å; N762-R765 WeakPolarHBondContact O-CG 3.48Å; N762-R765 PolarHBondContact O-N 3.23Å; N762-R765 PolarHBondContact OD1-NE 2.82Å; N762-R765 PolarHBondContact OD1-NH1 3.3Å; N762-R765 PolarHBondContact OD1-NH2 2.95Å
763	I	96.8	Very high	93.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-63.1	-41.5	179.8	-57.5	174.9	0	0	0	113.1	L759 R765 V766 L767 V773 L775 V811 V851	L759-I763 HydrophobicContact CB-CD1 4.43Å; L759-I763 HydrophobicContact CD2-CD1 4.23Å; L759-I763 WeakPolarHBondContact O-CD1 3.3Å; L759-I763 WeakPolarHBondContact O-CG1 3.31Å; I763-R765 PolarHBondContact O-N 3.38Å; I763-R765 VanDerWaalsContact O-N 3.08Å; I763-V766 WeakPolarHBondContact O-CG2 3.41Å; I763-V766 PolarHBondContact O-N 2.71Å; I763-L767 HydrophobicContact CG2-CD1 3.96Å; I763-L767 HydrophobicContact CG2-CG 4.32Å; I763-V773 HydrophobicContact CD1-CG2 4.29Å; I763-V773 HydrophobicContact CG2-CG1 4.29Å; I763-V773 HydrophobicContact CG2-CG2 3.83Å; I763-L775 HydrophobicContact CD1-CD1 3.9Å; I763-V811 HydrophobicContact CD1-CG1 4.39Å; I763-V811 HydrophobicContact CD1-CG2 4.33Å; I763-V851 HydrophobicContact CB-CG2 4.1Å
764	P	94.3	Very high	93.5	Very high	32 Å²	32	29.4 Å²	29.4	21%	0.208	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-54.9	-27.8	176.7	-28.8	36.7	0	0	0	114.7	I760 V766 L767 Q850 V851	I760-P764 WeakPolarHBondContact O-CD 3.46Å; I760-P764 WeakPolarHBondContact O-CG 3.48Å; P764-V766 PolarHBondContact O-N 2.97Å; P764-V766 VanDerWaalsContact O-N 3.07Å; P764-L767 PolarHBondContact O-N 2.83Å; P764-L767 VanDerWaalsContact O-N 3.15Å; P764-Q850 HydrophobicContact CB-CB 4.33Å; P764-Q850 HydrophobicContact CG-CB 4.18Å; P764-V851 HydrophobicContact CG-CG2 3.89Å
765	R	92.6	Very high	93.6	Very high	163 Å²	163	29.4 Å²	29.4	62%	0.615	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-59.9	-22.5	-177	-57.5	-179.5	-173.7	-176.9	4.6	113.9	D761 N762 I763	D761-R765 PolarHBondContact O-NE 2.83Å; N762-R765 WeakPolarHBondContact O-CB 3.48Å; N762-R765 WeakPolarHBondContact O-CG 3.48Å; N762-R765 PolarHBondContact O-N 3.23Å; N762-R765 PolarHBondContact OD1-NE 2.82Å; N762-R765 PolarHBondContact OD1-NH1 3.3Å; N762-R765 PolarHBondContact OD1-NH2 2.95Å; I763-R765 PolarHBondContact O-N 3.38Å; I763-R765 VanDerWaalsContact O-N 3.08Å
766	V	93.3	Very high	93.8	Very high	18 Å²	18	31.6 Å²	31.6	11%	0.109	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-109.1	-7.2	180	-61.1	0	0	0	0	114.3	P667 I679 A750 V752 I763 P764 I813	P667-V766 HydrophobicContact CB-CB 3.96Å; P667-V766 HydrophobicContact CB-CG1 4.3Å; P667-V766 HydrophobicContact CG-CB 4.14Å; P667-V766 HydrophobicContact CG-CG1 4.27Å; I679-V766 VanDerWaalsContact CD1-O 3.27Å; I679-V766 WeakPolarHBondContact CD1-O 3.32Å; A750-V766 HydrophobicContact CB-CB 3.9Å; A750-V766 HydrophobicContact CB-CG1 4.45Å; A750-V766 HydrophobicContact CB-CG2 3.85Å; V752-V766 HydrophobicContact CG2-CB 4.3Å; V752-V766 HydrophobicContact CG2-CG1 3.89Å; V752-V766 HydrophobicContact CG2-CG2 3.4Å; V752-V766 VanDerWaalsContact CG2-CG2 3.4Å; I763-V766 WeakPolarHBondContact O-CG2 3.41Å; I763-V766 PolarHBondContact O-N 2.71Å; P764-V766 PolarHBondContact O-N 2.97Å; P764-V766 VanDerWaalsContact O-N 3.07Å; V766-I813 HydrophobicContact CG2-CD1 4.43Å
767	L	93	Very high	94.2	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.084	16%	0.163	C	C	.	.	S	Bend	trans	-90.6	138.2	-175.5	-68.1	177.9	0	0	0	111.8	I679 I763 P764 V773 I813 Q850	I679-L767 HydrophobicContact CG2-CD2 4.34Å; I763-L767 HydrophobicContact CG2-CD1 3.96Å; I763-L767 HydrophobicContact CG2-CG 4.32Å; P764-L767 PolarHBondContact O-N 2.83Å; P764-L767 VanDerWaalsContact O-N 3.15Å; L767-V773 HydrophobicContact CD1-CG1 4.16Å; L767-V773 HydrophobicContact CD2-CG1 4.44Å; L767-I813 HydrophobicContact CD2-CD1 3.61Å; L767-Q850 HydrophobicContact CD1-CB 4.36Å
768	P	90	Very high	94.4	Very high	20 Å²	20	33.1 Å²	33.1	13%	0.13	17%	0.173	C	C	.	.			trans	-56.5	145.6	161.5	-22.1	33.8	0	0	0	111	Q770 L771 Q850	P768-Q770 PolarHBondContact O-N 2.83Å; P768-Q770 VanDerWaalsContact O-N 3.08Å; P768-L771 HydrophobicContact CB-CD1 4.46Å; P768-L771 HydrophobicContact CB-CG 4.43Å; P768-L771 HydrophobicContact CG-CD1 4.06Å; P768-L771 PolarHBondContact O-N 3.38Å; P768-L771 VanDerWaalsContact O-O 3.14Å; P768-Q850 PolarHBondContact O-NE2 2.83Å
769	S	87.8	Confident	94.5	Very high	103 Å²	103	35.3 Å²	35.3	72%	0.72	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.7	-174.2	49.9	0	0	0	0	114.6
770	Q	90	Very high	94.5	Very high	69 Å²	69	35.8 Å²	35.8	32%	0.322	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.1	175.8	72.4	-83.1	24.1	0	0	114.4	E670 P768 I842	E670-Q770 PolarHBondContact OE1-NE2 2.87Å; P768-Q770 PolarHBondContact O-N 2.83Å; P768-Q770 VanDerWaalsContact O-N 3.08Å; Q770-I842 PolarHBondContact O-N 2.74Å
771	L	93.9	Very high	94.3	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.052	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.4	-179	-60.6	-177.1	0	0	0	111.4	I679 P768 V839 Y840 R841 I842 Q850	I679-L771 HydrophobicContact CB-CD1 4.43Å; I679-L771 HydrophobicContact CG2-CD1 3.86Å; P768-L771 HydrophobicContact CB-CD1 4.46Å; P768-L771 HydrophobicContact CB-CG 4.43Å; P768-L771 HydrophobicContact CG-CD1 4.06Å; P768-L771 PolarHBondContact O-N 3.38Å; P768-L771 VanDerWaalsContact O-O 3.14Å; L771-V839 HydrophobicContact CB-CG1 4.07Å; L771-V839 HydrophobicContact CD1-CG1 4Å; L771-V839 HydrophobicContact CD2-CG1 4.42Å; L771-V839 HydrophobicContact CG-CG1 4.39Å; L771-Y840 WeakPolarHBondContact CA-O 2.89Å; L771-R841 HydrophobicContact CD2-CB 4.44Å; L771-I842 VanDerWaalsContact O-CD1 3.28Å; L771-I842 WeakPolarHBondContact O-CD1 3.29Å; L771-Q850 PolarHBondContact O-NE2 3.06Å
772	G	95	Very high	94.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	-179.8	173.2	0	0	0	0	0	111	V839 Y840 Q850	G772-V839 CarbonylContact O-C 3.55Å; G772-V839 VanDerWaalsContact O-CA 3.3Å; G772-V839 WeakPolarHBondContact O-CA 3.36Å; G772-Y840 PolarHBondContact N-O 3.39Å; G772-Y840 VanDerWaalsContact O-CD1 3.3Å; G772-Y840 WeakPolarHBondContact O-CD1 3.29Å; G772-Y840 PolarHBondContact O-N 3.08Å; G772-Q850 CarbonylContact C-O 3.52Å; G772-Q850 WeakPolarHBondContact CA-O 3.14Å
773	V	97.6	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.3	170.3	-65.8	0	0	0	0	111.8	V685 I763 L767 L775 K838 V839 Q850 V851 H852	V685-V773 HydrophobicContact CG2-CB 4.17Å; V685-V773 HydrophobicContact CG2-CG1 3.58Å; I763-V773 HydrophobicContact CD1-CG2 4.29Å; I763-V773 HydrophobicContact CG2-CG1 4.29Å; I763-V773 HydrophobicContact CG2-CG2 3.83Å; L767-V773 HydrophobicContact CD1-CG1 4.16Å; L767-V773 HydrophobicContact CD2-CG1 4.44Å; V773-L775 HydrophobicContact CB-CD2 4.09Å; V773-L775 HydrophobicContact CG2-CD2 3.99Å; V773-L775 HydrophobicContact CG2-CG 4.22Å; V773-K838 WeakPolarHBondContact CA-O 3.36Å; V773-V839 HydrophobicContact CG1-CG2 4.08Å; V773-Q850 PolarHBondContact N-O 2.92Å; V773-V851 HydrophobicContact CG2-CB 4.33Å; V773-V851 HydrophobicContact CG2-CG1 4.12Å; V773-V851 HydrophobicContact CG2-CG2 3.97Å; V773-H852 PolarHBondContact O-N 2.57Å
774	I	97.3	Very high	93.5	Very high	46 Å²	46	38.3 Å²	38.3	24%	0.236	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.1	166.1	-66.9	164.1	0	0	0	106.9	G837 K838 Y840 H852 R854	I774-G837 CarbonylContact O-C 3.53Å; I774-G837 WeakPolarHBondContact O-CA 3.48Å; I774-K838 PolarHBondContact N-O 3.12Å; I774-K838 PolarHBondContact O-N 2.8Å; I774-Y840 HydrophobicContact CD1-CD1 3.95Å; I774-Y840 HydrophobicContact CD1-CD2 4.41Å; I774-Y840 HydrophobicContact CD1-CE1 4.4Å; I774-Y840 HydrophobicContact CD1-CG 3.96Å; I774-Y840 HydrophobicContact CG1-CD1 3.64Å; I774-Y840 HydrophobicContact CG1-CE1 3.84Å; I774-Y840 HydrophobicContact CG1-CG 4.19Å; I774-H852 CarbonylContact C-O 3.53Å; I774-H852 WeakPolarHBondContact CA-O 3.48Å; I774-H852 HydrophobicContact CG1-CB 4.4Å; I774-R854 HydrophobicContact CG2-CG 4.17Å
775	L	97.8	Very high	93.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	157.1	176.3	-49.4	-175	0	0	0	111	V685 L759 I763 V773 I836 V851 H852 I853 R854	V685-L775 HydrophobicContact CB-CD2 4.3Å; V685-L775 HydrophobicContact CG1-CD2 4.04Å; L759-L775 HydrophobicContact CB-CD1 4.46Å; L759-L775 HydrophobicContact CD1-CD1 4.35Å; I763-L775 HydrophobicContact CD1-CD1 3.9Å; V773-L775 HydrophobicContact CB-CD2 4.09Å; V773-L775 HydrophobicContact CG2-CD2 3.99Å; V773-L775 HydrophobicContact CG2-CG 4.22Å; L775-I836 CarbonylContact C-O 3.56Å; L775-I836 WeakPolarHBondContact CA-O 3.44Å; L775-I836 WeakPolarHBondContact CB-O 3.5Å; L775-I836 HydrophobicContact CD1-CD1 4.42Å; L775-I836 HydrophobicContact CD2-CD1 4.18Å; L775-I836 HydrophobicContact CD2-CG1 4.12Å; L775-V851 HydrophobicContact CD1-CG1 4.29Å; L775-H852 PolarHBondContact N-O 3.44Å; L775-I853 HydrophobicContact CB-CG1 4.3Å; L775-I853 HydrophobicContact CB-CG2 4.3Å; L775-I853 HydrophobicContact CD1-CD1 4.36Å; L775-I853 HydrophobicContact CD1-CG1 4.21Å; L775-R854 WeakPolarHBondContact O-CB 3.39Å; L775-R854 PolarHBondContact O-N 2.93Å
776	D	97.8	Very high	93.3	Very high	56 Å²	56	30.1 Å²	30.1	30%	0.299	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	110.4	171.2	-170	-18.4	0	0	0	110.6	L778 S779 W780 I836 N855	D776-L778 PolarHBondContact O-N 3.15Å; D776-L778 WeakPolarHBondContact OD1-CB 3.23Å; D776-L778 PolarHBondContact OD1-N 2.83Å; D776-S779 PolarHBondContact O-N 2.9Å; D776-S779 VanDerWaalsContact O-N 3.09Å; D776-S779 PolarHBondContact O-OG 2.88Å; D776-W780 WeakPolarHBondContact O-CZ3 3.2Å; D776-I836 PolarHBondContact N-O 3.33Å; D776-N855 VanDerWaalsContact CG-ND2 3.25Å; D776-N855 PolarHBondContact OD1-ND2 3.17Å; D776-N855 PolarHBondContact OD2-ND2 2.92Å; D776-N855 VanDerWaalsContact OD2-ND2 3.11Å
777	A	95.9	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6	-177.7	0	0	0	0	0	114.6	W780 I853 R854 L856 A859	A777-W780 HydrophobicContact CB-CH2 4.18Å; A777-W780 HydrophobicContact CB-CZ2 4.42Å; A777-I853 HydrophobicContact CB-CG2 3.94Å; A777-R854 WeakPolarHBondContact CB-O 3.37Å; A777-R854 PolarHBondContact N-O 2.97Å; A777-L856 HydrophobicContact CB-CB 4.2Å; A777-L856 HydrophobicContact CB-CD1 3.86Å; A777-A859 HydrophobicContact CB-CB 3.69Å; A777-A859 VanDerWaalsContact O-CB 3.28Å; A777-A859 WeakPolarHBondContact O-CB 3.2Å
778	L	95.6	Very high	92.8	Very high	64 Å²	64	29.3 Å²	29.3	34%	0.335	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.4	173.3	-64.6	-177.7	0	0	0	114.2	D776 N855 E858 A859 K862	D776-L778 PolarHBondContact O-N 3.15Å; D776-L778 WeakPolarHBondContact OD1-CB 3.23Å; D776-L778 PolarHBondContact OD1-N 2.83Å; L778-N855 HydrophobicContact CD1-CB 3.77Å; L778-N855 HydrophobicContact CD2-CB 4.46Å; L778-N855 HydrophobicContact CG-CB 3.61Å; L778-E858 WeakPolarHBondContact CD1-OE1 3.4Å; L778-E858 HydrophobicContact CD2-CB 4.4Å; L778-E858 HydrophobicContact CD2-CG 4.46Å; L778-A859 HydrophobicContact CD2-CB 4.08Å; L778-K862 HydrophobicContact CD2-CD 4.37Å
779	S	96.3	Very high	92.8	Very high	45 Å²	45	28.3 Å²	28.3	32%	0.315	16%	0.16	S	C	.	.	S	Bend	trans	-87.8	-5.8	-177.8	78	0	0	0	0	114.6	D776 Y834 E835 I836	D776-S779 PolarHBondContact O-N 2.9Å; D776-S779 VanDerWaalsContact O-N 3.09Å; D776-S779 PolarHBondContact O-OG 2.88Å; S779-Y834 WeakPolarHBondContact O-CD1 3.39Å; S779-E835 VanDerWaalsContact CB-O 3.22Å; S779-E835 WeakPolarHBondContact CB-O 3.45Å; S779-E835 PolarHBondContact OG-O 3.33Å; S779-I836 WeakPolarHBondContact OG-CA 3.35Å
780	W	95.2	Very high	92.9	Very high	11 Å²	11	24 Å²	24	4%	0.042	13%	0.13	C	C	.	.	S	Bend	trans	-133.8	154	170.3	76.1	92.7	0	0	0	111.3	L759 D776 A777 I782 C806 I808 Y834 I836 I853	L759-W780 HydrophobicContact CD1-CH2 3.9Å; L759-W780 HydrophobicContact CD1-CZ2 3.69Å; D776-W780 WeakPolarHBondContact O-CZ3 3.2Å; A777-W780 HydrophobicContact CB-CH2 4.18Å; A777-W780 HydrophobicContact CB-CZ2 4.42Å; W780-I782 PolarHBondContact O-N 3.39Å; W780-C806 PolarHBondContact NE1-O 2.99Å; W780-I808 HydrophobicContact CB-CD1 3.86Å; W780-I808 HydrophobicContact CD2-CD1 4.09Å; W780-I808 HydrophobicContact CD2-CG1 3.94Å; W780-I808 HydrophobicContact CG-CD1 3.64Å; W780-I808 HydrophobicContact CG-CG1 3.92Å; W780-I808 HydrophobicContact CZ2-CG1 4.42Å; W780-Y834 HydrophobicContact CB-CD1 4.2Å; W780-Y834 HydrophobicContact CB-CD2 3.55Å; W780-Y834 HydrophobicContact CB-CE2 3.97Å; W780-Y834 HydrophobicContact CB-CG 3.67Å; W780-I836 HydrophobicContact CD2-CG2 4.23Å; W780-I836 HydrophobicContact CE3-CB 3.91Å; W780-I836 HydrophobicContact CE3-CG2 3.56Å; W780-I836 HydrophobicContact CZ3-CB 3.92Å; W780-I836 HydrophobicContact CZ3-CG2 4.08Å; W780-I853 HydrophobicContact CH2-CG2 4.36Å
781	P	91.5	Very high	92.6	Very high	58 Å²	58	22.6 Å²	22.6	38%	0.377	13%	0.131	S	C	.	.			trans	-77.4	118.5	175.6	30.7	-32	0	0	0	110.6	H783 Y834	P781-H783 PolarHBondContact O-CD2 3.29Å; P781-H783 PolarHBondContact O-N 3.35Å; P781-Y834 WeakPolarHBondContact CD-OH 3.36Å; P781-Y834 WeakPolarHBondContact CG-OH 3.39Å
782	I	91	Very high	92	Very high	11 Å²	11	23.2 Å²	23.2	6%	0.056	14%	0.137	C	C	.	.			trans	-74.1	104.8	164.4	-58.2	-171.7	0	0	0	107.3	W780 F786 Q787 L856 A859 F860	W780-I782 PolarHBondContact O-N 3.39Å; I782-F786 HydrophobicContact CG2-CB 3.83Å; I782-Q787 HydrophobicContact CG2-CG 4.24Å; I782-Q787 PolarHBondContact O-NE2 2.71Å; I782-L856 HydrophobicContact CD1-CD1 4.26Å; I782-A859 HydrophobicContact CD1-CB 3.48Å; I782-A859 VanDerWaalsContact CD1-CB 3.48Å; I782-A859 HydrophobicContact CG1-CB 4.16Å; I782-F860 HydrophobicContact CD1-CD2 3.56Å; I782-F860 HydrophobicContact CD1-CE2 3.47Å; I782-F860 VanDerWaalsContact CD1-CE2 3.47Å; I782-F860 HydrophobicContact CD1-CG 4.35Å; I782-F860 HydrophobicContact CD1-CZ 4.17Å; I782-F860 HydrophobicContact CG2-CD1 4.4Å; I782-F860 HydrophobicContact CG2-CE1 3.96Å; I782-F860 HydrophobicContact CG2-CE2 4.2Å; I782-F860 HydrophobicContact CG2-CZ 3.86Å
783	H	89	Confident	91.5	Very high	32 Å²	32	24.3 Å²	24.3	15%	0.148	15%	0.148	C	C	.	.			trans	-61	156.6	-176	-56.6	168.4	0	0	0	112.9	P781 E785 F786 Q787 R832	P781-H783 PolarHBondContact O-CD2 3.29Å; P781-H783 PolarHBondContact O-N 3.35Å; H783-E785 VanDerWaalsContact C-N 3.26Å; H783-E785 WeakPolarHBondContact CB-OE1 3.46Å; H783-E785 WeakPolarHBondContact CB-OE2 3.35Å; H783-E785 IonicContact CG-OE1 3.49Å; H783-E785 IonicContact ND1-OE1 3.36Å; H783-E785 PolarHBondContact ND1-OE1 2.7Å; H783-E785 PolarHBondContact O-N 2.97Å; H783-F786 HydrophobicContact CB-CD2 4.06Å; H783-F786 HydrophobicContact CB-CE2 4.26Å; H783-F786 PolarHBondContact O-N 3.49Å; H783-Q787 PolarHBondContact O-N 2.93Å; H783-R832 PolarHBondContact NE2-NH2 3.37Å; H783-R832 VanDerWaalsContact NE2-NH2 3.17Å
784	D	88.2	Confident	90.9	Very high	49 Å²	49	31.8 Å²	31.8	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-60.4	-29.5	-171.7	-71.3	12.7	0	0	0	113.6	W718 F786 Q787 W788 L863 I866	W718-D784 HydrophobicContact CB-CB 3.57Å; D784-F786 VanDerWaalsContact C-N 3.33Å; D784-F786 PolarHBondContact O-N 2.79Å; D784-Q787 PolarHBondContact O-N 2.93Å; D784-W788 WeakPolarHBondContact O-CB 3.49Å; D784-W788 PolarHBondContact O-N 2.79Å; D784-L863 WeakPolarHBondContact OD1-CD1 3.46Å; D784-I866 HydrophobicContact CB-CD1 4.02Å; D784-I866 WeakPolarHBondContact O-CD1 3.48Å
785	E	89.9	Confident	90.5	Very high	24 Å²	24	30.6 Å²	30.6	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-38.4	174.3	62.5	-83.7	-167.5	0	0	112.7	I693 W718 H783 W788 I789	I693-E785 HydrophobicContact CD1-CB 4.17Å; I693-E785 HydrophobicContact CD1-CG 4.07Å; I693-E785 HydrophobicContact CG1-CG 3.94Å; W718-E785 HydrophobicContact CD2-CB 4.06Å; W718-E785 HydrophobicContact CG-CB 4.14Å; W718-E785 HydrophobicContact CZ2-CB 4.25Å; H783-E785 VanDerWaalsContact C-N 3.26Å; H783-E785 WeakPolarHBondContact CB-OE1 3.46Å; H783-E785 WeakPolarHBondContact CB-OE2 3.35Å; H783-E785 IonicContact CG-OE1 3.49Å; H783-E785 IonicContact ND1-OE1 3.36Å; H783-E785 PolarHBondContact ND1-OE1 2.7Å; H783-E785 PolarHBondContact O-N 2.97Å; E785-W788 PolarHBondContact O-N 3.01Å; E785-I789 VanDerWaalsContact O-CG1 3.32Å; E785-I789 WeakPolarHBondContact O-CG1 3.16Å; E785-I789 PolarHBondContact O-N 3.23Å
786	F	92.8	Very high	90.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.9	-39.4	177.7	-59.3	-74.5	0	0	0	111.4	I693 I782 H783 D784 W788 I789 A790 M800 F804 N805 G807 F860	I693-F786 HydrophobicContact CB-CE1 4.46Å; I693-F786 HydrophobicContact CG1-CD1 4.45Å; I693-F786 HydrophobicContact CG1-CE1 3.82Å; I693-F786 HydrophobicContact CG1-CZ 4.07Å; I782-F786 HydrophobicContact CG2-CB 3.83Å; H783-F786 HydrophobicContact CB-CD2 4.06Å; H783-F786 HydrophobicContact CB-CE2 4.26Å; H783-F786 PolarHBondContact O-N 3.49Å; D784-F786 VanDerWaalsContact C-N 3.33Å; D784-F786 PolarHBondContact O-N 2.79Å; F786-W788 VanDerWaalsContact C-N 3.31Å; F786-W788 PolarHBondContact O-N 2.85Å; F786-I789 PolarHBondContact O-N 3.12Å; F786-A790 WeakPolarHBondContact O-CB 3.37Å; F786-A790 PolarHBondContact O-N 3.24Å; F786-M800 HydrophobicContact CB-CE 4.16Å; F786-M800 HydrophobicContact CD1-CE 4.4Å; F786-M800 WeakPolarHBondContact O-CE 3.38Å; F786-F804 HydrophobicContact CD1-CB 4.1Å; F786-F804 HydrophobicContact CE1-CB 4.04Å; F786-N805 WeakPolarHBondContact CE1-OD1 3.45Å; F786-N805 WeakPolarHBondContact CZ-OD1 3.31Å; F786-G807 VanDerWaalsContact CE2-N 3.27Å; F786-F860 HydrophobicContact CB-CE1 4.23Å; F786-F860 HydrophobicContact CB-CZ 4.45Å
787	Q	88.1	Confident	89.8	Confident	13 Å²	13	31.2 Å²	31.2	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-37.1	175.2	-69.4	177.6	68.3	0	0	111.5	I782 H783 D784 A791 F860 I866	I782-Q787 HydrophobicContact CG2-CG 4.24Å; I782-Q787 PolarHBondContact O-NE2 2.71Å; H783-Q787 PolarHBondContact O-N 2.93Å; D784-Q787 PolarHBondContact O-N 2.93Å; Q787-A791 WeakPolarHBondContact O-CB 3.28Å; Q787-A791 PolarHBondContact O-N 3.25Å; Q787-F860 HydrophobicContact CG-CD1 4.1Å; Q787-I866 HydrophobicContact CB-CD1 3.74Å
788	W	88	Confident	89.6	Confident	3 Å²	3	34.3 Å²	34.3	1%	0.011	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-47.1	171.6	175.1	89.7	0	0	0	111.9	I704 I705 M708 W718 F724 D784 E785 F786 A790 A791 A792 I866	I704-W788 HydrophobicContact CG2-CH2 3.89Å; I704-W788 HydrophobicContact CG2-CZ2 4.33Å; I704-W788 HydrophobicContact CG2-CZ3 4.37Å; I705-W788 HydrophobicContact CG1-CH2 4.29Å; M708-W788 HydrophobicContact CE-CH2 3.92Å; M708-W788 HydrophobicContact CE-CZ2 3.25Å; W718-W788 HydrophobicContact CE3-CB 3.82Å; W718-W788 AromaticContact CE3-CD2 3.74Å; W718-W788 HydrophobicContact CE3-CD2 3.74Å; W718-W788 HydrophobicContact CE3-CE3 4.06Å; W718-W788 AromaticContact CE3-CG 3.59Å; W718-W788 HydrophobicContact CE3-CG 3.59Å; W718-W788 HydrophobicContact CH2-CD2 4.26Å; W718-W788 AromaticContact CH2-CE3 3.89Å; W718-W788 HydrophobicContact CH2-CE3 3.89Å; W718-W788 HydrophobicContact CH2-CH2 4.44Å; W718-W788 HydrophobicContact CH2-CZ3 4.01Å; W718-W788 HydrophobicContact CZ3-CB 4.28Å; W718-W788 AromaticContact CZ3-CD2 3.27Å; W718-W788 HydrophobicContact CZ3-CD2 3.27Å; W718-W788 AromaticContact CZ3-CE2 3.65Å; W718-W788 AromaticContact CZ3-CE3 3.33Å; W718-W788 HydrophobicContact CZ3-CE3 3.33Å; W718-W788 AromaticContact CZ3-CG 3.68Å; W718-W788 HydrophobicContact CZ3-CG 3.68Å; W718-W788 HydrophobicContact CZ3-CH2 4.15Å; W718-W788 HydrophobicContact CZ3-CZ2 4.06Å; W718-W788 AromaticContact CZ3-CZ3 3.81Å; W718-W788 HydrophobicContact CZ3-CZ3 3.81Å; F724-W788 HydrophobicContact CD1-CZ2 4.48Å; F724-W788 AromaticContact CE1-CE2 3.86Å; F724-W788 AromaticContact CE1-CH2 3.72Å; F724-W788 HydrophobicContact CE1-CH2 3.72Å; F724-W788 AromaticContact CE1-CZ2 3.33Å; F724-W788 HydrophobicContact CE1-CZ2 3.33Å; F724-W788 HydrophobicContact CE1-CZ3 4.48Å; F724-W788 AromaticContact CZ-CZ2 3.74Å; F724-W788 HydrophobicContact CZ-CZ2 3.74Å; D784-W788 WeakPolarHBondContact O-CB 3.49Å; D784-W788 PolarHBondContact O-N 2.79Å; E785-W788 PolarHBondContact O-N 3.01Å; F786-W788 VanDerWaalsContact C-N 3.31Å; F786-W788 PolarHBondContact O-N 2.85Å; W788-A790 VanDerWaalsContact C-N 3.31Å; W788-A790 PolarHBondContact O-N 3.33Å; W788-A791 PolarHBondContact O-N 3.43Å; W788-A792 HydrophobicContact CD2-CB 4.3Å; W788-A792 HydrophobicContact CZ2-CB 4.33Å; W788-A792 WeakPolarHBondContact O-CB 3.49Å; W788-A792 PolarHBondContact O-N 3.21Å; W788-I866 HydrophobicContact CB-CD1 4.45Å; W788-I866 HydrophobicContact CB-CG2 4.42Å
789	I	90.4	Very high	89.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.4	-47.7	176.2	-70.3	168.4	0	0	0	110.3	I693 I701 I704 E785 F786 G793 I795 M800 F804	I693-I789 HydrophobicContact CD1-CD1 3.68Å; I693-I789 HydrophobicContact CG1-CD1 4.11Å; I701-I789 HydrophobicContact CD1-CD1 3.72Å; I701-I789 HydrophobicContact CG1-CD1 3.88Å; I701-I789 HydrophobicContact CG1-CG1 4.27Å; I704-I789 HydrophobicContact CD1-CG2 3.97Å; E785-I789 VanDerWaalsContact O-CG1 3.32Å; E785-I789 WeakPolarHBondContact O-CG1 3.16Å; E785-I789 PolarHBondContact O-N 3.23Å; F786-I789 PolarHBondContact O-N 3.12Å; I789-G793 PolarHBondContact O-N 3.07Å; I789-I795 HydrophobicContact CG2-CD1 4.07Å; I789-M800 HydrophobicContact CB-CE 3.94Å; I789-M800 HydrophobicContact CB-SD 4.46Å; I789-M800 HydrophobicContact CG2-CE 3.77Å; I789-M800 HydrophobicContact CG2-SD 3.77Å; I789-F804 HydrophobicContact CD1-CE1 4.22Å; I789-F804 HydrophobicContact CD1-CZ 4.15Å; I789-F804 HydrophobicContact CG2-CE2 3.73Å; I789-F804 HydrophobicContact CG2-CZ 3.97Å
790	A	89.7	Confident	89.5	Confident	12 Å²	12	33.7 Å²	33.7	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-59.6	-50.4	-179.8	0	0	0	0	0	111.9	F786 W788 D794 I795 M800 F860	F786-A790 WeakPolarHBondContact O-CB 3.37Å; F786-A790 PolarHBondContact O-N 3.24Å; W788-A790 VanDerWaalsContact C-N 3.31Å; W788-A790 PolarHBondContact O-N 3.33Å; A790-D794 WeakPolarHBondContact O-CA 3.27Å; A790-D794 PolarHBondContact O-N 3.23Å; A790-I795 PolarHBondContact O-N 2.91Å; A790-M800 HydrophobicContact CB-CE 4.37Å; A790-M800 HydrophobicContact CB-CG 3.85Å; A790-M800 HydrophobicContact CB-SD 4.02Å; A790-F860 HydrophobicContact CB-CD1 3.83Å; A790-F860 HydrophobicContact CB-CE1 3.79Å
791	A	83.5	Confident	89.5	Confident	40 Å²	40	33.2 Å²	33.2	33%	0.331	20%	0.203	S	C	.	.	H	α-helix	trans	-76.6	-27.8	-175.9	0	0	0	0	0	114.1	Q787 W788 I866 I870	Q787-A791 WeakPolarHBondContact O-CB 3.28Å; Q787-A791 PolarHBondContact O-N 3.25Å; W788-A791 PolarHBondContact O-N 3.43Å; A791-I866 HydrophobicContact CB-CG2 4.23Å; A791-I870 HydrophobicContact CB-CD1 3.45Å; A791-I870 VanDerWaalsContact CB-CD1 3.45Å
792	A	82.4	Confident	89.6	Confident	23 Å²	23	34.4 Å²	34.4	19%	0.19	20%	0.204	C	C	.	.	H	α-helix	trans	-81.3	-37.3	177.2	0	0	0	0	0	112.5	I704 M708 W788	I704-A792 HydrophobicContact CG2-CB 3.67Å; M708-A792 HydrophobicContact CE-CB 3.69Å; M708-A792 HydrophobicContact SD-CB 3.79Å; W788-A792 HydrophobicContact CD2-CB 4.3Å; W788-A792 HydrophobicContact CZ2-CB 4.33Å; W788-A792 WeakPolarHBondContact O-CB 3.49Å; W788-A792 PolarHBondContact O-N 3.21Å
793	G	84.4	Confident	89.7	Confident	23 Å²	23	36 Å²	36	24%	0.237	21%	0.212	C	C	.	.	H	α-helix	trans	-90.3	-3.5	177.8	0	0	0	0	0	115.6	I789 I795	I789-G793 PolarHBondContact O-N 3.07Å; G793-I795 VanDerWaalsContact C-N 3.27Å; G793-I795 PolarHBondContact O-N 3.34Å
794	D	84.6	Confident	90	Very high	157 Å²	157	34.7 Å²	34.7	84%	0.84	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	42	-172	-154.3	29.2	0	0	0	112.2	A790	A790-D794 WeakPolarHBondContact O-CA 3.27Å; A790-D794 PolarHBondContact O-N 3.23Å
795	I	88.1	Confident	90.3	Very high	20 Å²	20	32.5 Å²	32.5	10%	0.103	19%	0.194	C	C	.	.			trans	-94.4	123.5	-175.6	-49.7	-177.9	0	0	0	109.3	M700 I704 I789 A790 G793 E799 M800	M700-I795 HydrophobicContact CE-CD1 4.28Å; M700-I795 HydrophobicContact CG-CD1 3.6Å; M700-I795 HydrophobicContact SD-CD1 4.07Å; I704-I795 HydrophobicContact CD1-CD1 4.16Å; I789-I795 HydrophobicContact CG2-CD1 4.07Å; A790-I795 PolarHBondContact O-N 2.91Å; G793-I795 VanDerWaalsContact C-N 3.27Å; G793-I795 PolarHBondContact O-N 3.34Å; I795-E799 HydrophobicContact CG2-CB 3.73Å; I795-M800 HydrophobicContact CB-CG 4.18Å; I795-M800 HydrophobicContact CB-SD 3.89Å; I795-M800 HydrophobicContact CD1-SD 4.13Å; I795-M800 HydrophobicContact CG2-CG 3.86Å; I795-M800 HydrophobicContact CG2-SD 3.8Å
796	A	89.7	Confident	90.6	Very high	46 Å²	46	31.4 Å²	31.4	38%	0.38	19%	0.189	S	C	.	.			trans	-61.2	144.3	176.6	0	0	0	0	0	111.7	S798 E799 M800	A796-S798 PolarHBondContact O-N 2.75Å; A796-S798 VanDerWaalsContact O-N 3.14Å; A796-E799 WeakPolarHBondContact CB-OE2 3.43Å; A796-E799 PolarHBondContact O-N 2.8Å; A796-M800 PolarHBondContact O-N 3.09Å
797	P	92.3	Very high	90.7	Very high	24 Å²	24	31.4 Å²	31.4	16%	0.156	19%	0.189	C	C	.	.	H	α-helix	trans	-55.9	-31.1	-179.2	-32.7	40.4	0	0	0	115.1	M800 A801 L856 N857 F860	P797-M800 WeakPolarHBondContact O-CB 3.2Å; P797-M800 PolarHBondContact O-N 3.38Å; P797-A801 PolarHBondContact O-N 2.73Å; P797-A801 VanDerWaalsContact O-N 3.1Å; P797-L856 HydrophobicContact CB-CD2 4.39Å; P797-L856 HydrophobicContact CB-CG 3.85Å; P797-L856 WeakPolarHBondContact O-CD2 3.36Å; P797-N857 WeakPolarHBondContact CG-OD1 3.41Å; P797-F860 HydrophobicContact CB-CB 4.38Å; P797-F860 HydrophobicContact CB-CD2 3.64Å; P797-F860 HydrophobicContact CB-CE2 4.14Å; P797-F860 HydrophobicContact CB-CG 4.12Å; P797-F860 HydrophobicContact CG-CB 3.93Å; P797-F860 HydrophobicContact CG-CD2 4.1Å; P797-F860 HydrophobicContact CG-CG 4.06Å
798	S	92	Very high	91.2	Very high	65 Å²	65	30.8 Å²	30.8	46%	0.455	19%	0.187	S	C	.	.	H	α-helix	trans	-60.4	-48.5	172.8	33.1	0	0	0	0	112.7	A796 A801 H802	A796-S798 PolarHBondContact O-N 2.75Å; A796-S798 VanDerWaalsContact O-N 3.14Å; S798-A801 PolarHBondContact O-N 3.46Å; S798-H802 PolarHBondContact O-N 2.84Å
799	E	93.4	Very high	91.6	Very high	97 Å²	97	30.7 Å²	30.7	45%	0.453	19%	0.186	S	C	.	.	H	α-helix	trans	-68.6	-36.1	177.7	-82.4	59.5	-151.5	0	0	110.8	I795 A796 A801 H802 I803	I795-E799 HydrophobicContact CG2-CB 3.73Å; A796-E799 WeakPolarHBondContact CB-OE2 3.43Å; A796-E799 PolarHBondContact O-N 2.8Å; E799-A801 VanDerWaalsContact C-N 3.35Å; E799-A801 PolarHBondContact O-N 3Å; E799-H802 PolarHBondContact O-N 2.54Å; E799-H802 VanDerWaalsContact O-N 3.16Å; E799-I803 VanDerWaalsContact O-CG1 3.3Å; E799-I803 WeakPolarHBondContact O-CG1 3.32Å; E799-I803 PolarHBondContact O-N 3.37Å
800	M	94.7	Very high	92	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.7	-46.8	171.4	-72.5	-63	-60.8	0	0	111.8	F786 I789 A790 I795 A796 P797 H802 I803 F804 C806 F860	F786-M800 HydrophobicContact CB-CE 4.16Å; F786-M800 HydrophobicContact CD1-CE 4.4Å; F786-M800 WeakPolarHBondContact O-CE 3.38Å; I789-M800 HydrophobicContact CB-CE 3.94Å; I789-M800 HydrophobicContact CB-SD 4.46Å; I789-M800 HydrophobicContact CG2-CE 3.77Å; I789-M800 HydrophobicContact CG2-SD 3.77Å; A790-M800 HydrophobicContact CB-CE 4.37Å; A790-M800 HydrophobicContact CB-CG 3.85Å; A790-M800 HydrophobicContact CB-SD 4.02Å; I795-M800 HydrophobicContact CB-CG 4.18Å; I795-M800 HydrophobicContact CB-SD 3.89Å; I795-M800 HydrophobicContact CD1-SD 4.13Å; I795-M800 HydrophobicContact CG2-CG 3.86Å; I795-M800 HydrophobicContact CG2-SD 3.8Å; A796-M800 PolarHBondContact O-N 3.09Å; P797-M800 WeakPolarHBondContact O-CB 3.2Å; P797-M800 PolarHBondContact O-N 3.38Å; M800-H802 PolarHBondContact O-N 3.35Å; M800-I803 PolarHBondContact O-N 3.02Å; M800-F804 HydrophobicContact CE-CD2 3.52Å; M800-F804 HydrophobicContact CE-CE2 3.96Å; M800-F804 HydrophobicContact CE-CG 4.31Å; M800-F804 WeakPolarHBondContact O-CB 3.31Å; M800-F804 PolarHBondContact O-N 2.79Å; M800-F804 HydrophobicContact SD-CD2 3.81Å; M800-F804 HydrophobicContact SD-CE2 3.91Å; M800-C806 VanDerWaalsContact C-SG 3.57Å; M800-C806 PolarHBondContact O-SG 2.81Å; M800-C806 VanDerWaalsContact O-SG 3.35Å; M800-F860 HydrophobicContact CB-CE1 4.24Å; M800-F860 HydrophobicContact CB-CE2 4.14Å; M800-F860 HydrophobicContact CB-CZ 3.6Å; M800-F860 HydrophobicContact CE-CE1 4.19Å; M800-F860 HydrophobicContact CE-CZ 4.26Å; M800-F860 HydrophobicContact CG-CE1 4.07Å; M800-F860 HydrophobicContact CG-CZ 3.94Å
801	A	95	Very high	92.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-70.6	-13.7	179.1	0	0	0	0	0	114.7	G758 L759 I760 P797 S798 E799 I853 L856	G758-A801 CarbonylContact C-O 3.58Å; G758-A801 WeakPolarHBondContact CA-O 3.4Å; L759-A801 PolarHBondContact N-O 2.75Å; I760-A801 HydrophobicContact CG1-CB 4.42Å; P797-A801 PolarHBondContact O-N 2.73Å; P797-A801 VanDerWaalsContact O-N 3.1Å; S798-A801 PolarHBondContact O-N 3.46Å; E799-A801 VanDerWaalsContact C-N 3.35Å; E799-A801 PolarHBondContact O-N 3Å; A801-I853 HydrophobicContact CB-CD1 3.87Å; A801-L856 HydrophobicContact CB-CD1 4.49Å; A801-L856 HydrophobicContact CB-CD2 3.87Å
802	H	93.6	Very high	93.1	Very high	83 Å²	83	28.2 Å²	28.2	38%	0.384	17%	0.166	S	C	.	.	H	α-helix	trans	-98.8	-21.6	175.4	-179.1	75.4	0	0	0	112.6	G757 G758 I760 D761 S798 E799 M800	G757-H802 CarbonylContact C-O 3.59Å; G757-H802 WeakPolarHBondContact CA-O 3.48Å; G757-H802 PolarHBondContact N-O 3.29Å; G758-H802 PolarHBondContact N-O 2.97Å; I760-H802 HydrophobicContact CB-CB 4.3Å; I760-H802 HydrophobicContact CG1-CB 4.13Å; D761-H802 IonicContact OD1-CE1 3.77Å; D761-H802 PolarHBondContact OD1-CE1 3.13Å; D761-H802 IonicContact OD1-ND1 2.65Å; D761-H802 PolarHBondContact OD1-ND1 2.83Å; D761-H802 IonicContact OD2-CE1 3.45Å; D761-H802 PolarHBondContact OD2-CE1 3.42Å; D761-H802 IonicContact OD2-ND1 3.99Å; D761-H802 PolarHBondContact OD2-ND1 3.01Å; D761-H802 IonicContact OD2-NE2 2.78Å; S798-H802 PolarHBondContact O-N 2.84Å; E799-H802 PolarHBondContact O-N 2.54Å; E799-H802 VanDerWaalsContact O-N 3.16Å; M800-H802 PolarHBondContact O-N 3.35Å
803	I	93.3	Very high	93.8	Very high	46 Å²	46	27.2 Å²	27.2	24%	0.236	16%	0.157	C	C	.	.	H	α-helix	trans	-95	-39.3	176.1	-62.4	165.6	0	0	0	111.4	M700 E799 M800	M700-I803 HydrophobicContact CE-CD1 4.48Å; E799-I803 VanDerWaalsContact O-CG1 3.3Å; E799-I803 WeakPolarHBondContact O-CG1 3.32Å; E799-I803 PolarHBondContact O-N 3.37Å; M800-I803 PolarHBondContact O-N 3.02Å
804	F	95.6	Very high	94.4	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.018	15%	0.146	C	C	.	.	S	Bend	trans	-122.6	158.3	-168.3	-59.6	-76.5	0	0	0	112.9	I693 I701 G758 F786 I789 M800 C806	I693-F804 HydrophobicContact CG2-CD1 3.88Å; I693-F804 HydrophobicContact CG2-CE1 4.04Å; I701-F804 HydrophobicContact CD1-CE1 3.94Å; I701-F804 HydrophobicContact CD1-CZ 4.32Å; I701-F804 HydrophobicContact CG1-CE1 4.26Å; I701-F804 HydrophobicContact CG1-CZ 4.13Å; G758-F804 WeakPolarHBondContact CA-O 3.37Å; F786-F804 HydrophobicContact CD1-CB 4.1Å; F786-F804 HydrophobicContact CE1-CB 4.04Å; I789-F804 HydrophobicContact CD1-CE1 4.22Å; I789-F804 HydrophobicContact CD1-CZ 4.15Å; I789-F804 HydrophobicContact CG2-CE2 3.73Å; I789-F804 HydrophobicContact CG2-CZ 3.97Å; M800-F804 HydrophobicContact CE-CD2 3.52Å; M800-F804 HydrophobicContact CE-CE2 3.96Å; M800-F804 HydrophobicContact CE-CG 4.31Å; M800-F804 WeakPolarHBondContact O-CB 3.31Å; M800-F804 PolarHBondContact O-N 2.79Å; M800-F804 HydrophobicContact SD-CD2 3.81Å; M800-F804 HydrophobicContact SD-CE2 3.91Å; F804-C806 VanDerWaalsContact C-N 3.26Å; F804-C806 PolarHBondContact O-N 3.41Å
805	N	95.6	Very high	94.9	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.12	C	C	.	.			trans	-69.4	-16	175.4	64.2	-25.9	0	0	0	114.4	S690 G692 H694 V754 F786 G807 I808	S690-N805 VanDerWaalsContact CB-ND2 3.3Å; S690-N805 WeakPolarHBondContact CB-ND2 3.38Å; S690-N805 PolarHBondContact OG-ND2 2.93Å; G692-N805 PolarHBondContact O-ND2 2.98Å; H694-N805 PolarHBondContact CD2-ND2 3.13Å; H694-N805 PolarHBondContact NE2-ND2 2.96Å; V754-N805 HydrophobicContact CB-CB 4.18Å; V754-N805 HydrophobicContact CG1-CB 3.74Å; F786-N805 WeakPolarHBondContact CE1-OD1 3.45Å; F786-N805 WeakPolarHBondContact CZ-OD1 3.31Å; N805-G807 PolarHBondContact O-N 3.5Å; N805-G807 VanDerWaalsContact O-N 3.09Å; N805-I808 WeakPolarHBondContact CB-O 3.31Å; N805-I808 PolarHBondContact O-N 3.4Å
806	C	95.5	Very high	95.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	36.3	173	-62.6	0	0	0	0	114.8	W780 M800 F804	W780-C806 PolarHBondContact NE1-O 2.99Å; M800-C806 VanDerWaalsContact C-SG 3.57Å; M800-C806 PolarHBondContact O-SG 2.81Å; M800-C806 VanDerWaalsContact O-SG 3.35Å; F804-C806 VanDerWaalsContact C-N 3.26Å; F804-C806 PolarHBondContact O-N 3.41Å
807	G	95.2	Very high	95.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-7.3	179.6	0	0	0	0	0	115.9	A689 S690 F786 N805	A689-G807 CarbonylContact C-O 3.59Å; A689-G807 WeakPolarHBondContact CA-O 3.31Å; S690-G807 PolarHBondContact N-O 3.07Å; F786-G807 VanDerWaalsContact CE2-N 3.27Å; N805-G807 PolarHBondContact O-N 3.5Å; N805-G807 VanDerWaalsContact O-N 3.09Å
808	I	97.8	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.2	178.8	-59.7	-58.9	0	0	0	110	L688 V754 L759 W780 N805 M810 V811 Y834 I836	L688-I808 CarbonylContact O-C 3.35Å; L688-I808 WeakPolarHBondContact O-CA 3.1Å; V754-I808 VanDerWaalsContact CB-O 3.28Å; V754-I808 WeakPolarHBondContact CB-O 3.5Å; V754-I808 HydrophobicContact CG2-CG2 4.39Å; V754-I808 WeakPolarHBondContact CG2-O 3.49Å; L759-I808 HydrophobicContact CD2-CB 4.28Å; L759-I808 HydrophobicContact CD2-CG2 4.28Å; W780-I808 HydrophobicContact CB-CD1 3.86Å; W780-I808 HydrophobicContact CD2-CD1 4.09Å; W780-I808 HydrophobicContact CD2-CG1 3.94Å; W780-I808 HydrophobicContact CG-CD1 3.64Å; W780-I808 HydrophobicContact CG-CG1 3.92Å; W780-I808 HydrophobicContact CZ2-CG1 4.42Å; N805-I808 WeakPolarHBondContact CB-O 3.31Å; N805-I808 PolarHBondContact O-N 3.4Å; I808-M810 WeakPolarHBondContact CG2-O 2.97Å; I808-V811 HydrophobicContact CG2-CG2 3.7Å; I808-Y834 HydrophobicContact CD1-CD2 3.84Å; I808-Y834 HydrophobicContact CD1-CE2 4.37Å; I808-I836 HydrophobicContact CD1-CG2 4.18Å
809	G	97.3	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-32.5	-178	0	0	0	0	0	114.9	L688 H694 H753 V754	L688-G809 PolarHBondContact O-N 2.91Å; H694-G809 VanDerWaalsContact CE1-CA 3.45Å; H694-G809 WeakPolarHBondContact CE1-CA 3.47Å; H753-G809 PolarHBondContact CD2-O 2.83Å; V754-G809 PolarHBondContact N-O 2.98Å
810	M	98.2	Very high	96	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.5	173.8	-62.7	-71.1	-66.2	0	0	110.1	N587 T591 G687 L688 Y735 L739 V752 H753 I808	N587-M810 HydrophobicContact CB-SD 4.27Å; T591-M810 HydrophobicContact CG2-CE 4.11Å; G687-M810 WeakPolarHBondContact CA-O 3.37Å; L688-M810 HydrophobicContact CB-CB 4.2Å; L688-M810 HydrophobicContact CD2-CB 4.29Å; L688-M810 PolarHBondContact N-O 2.91Å; Y735-M810 HydrophobicContact CD1-CG 4.03Å; Y735-M810 HydrophobicContact CD2-CG 3.32Å; Y735-M810 HydrophobicContact CD2-SD 3.99Å; Y735-M810 HydrophobicContact CE1-CG 4.24Å; Y735-M810 HydrophobicContact CE2-CG 3.59Å; Y735-M810 HydrophobicContact CE2-SD 4.44Å; Y735-M810 HydrophobicContact CG-CG 3.56Å; L739-M810 HydrophobicContact CD2-CE 3.76Å; V752-M810 CarbonylContact O-C 3.58Å; V752-M810 VanDerWaalsContact O-CA 3.3Å; V752-M810 WeakPolarHBondContact O-CA 3.48Å; H753-M810 VanDerWaalsContact CA-SD 3.56Å; H753-M810 HydrophobicContact CB-CE 4.37Å; H753-M810 HydrophobicContact CB-SD 3.71Å; H753-M810 VanDerWaalsContact CD2-SD 3.59Å; I808-M810 WeakPolarHBondContact CG2-O 2.97Å
811	V	98.5	Very high	96.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.2	170.7	172.7	0	0	0	0	109.7	V685 L686 A751 V752 V754 L759 I763 I808 I836	V685-V811 HydrophobicContact CG1-CG1 3.36Å; L686-V811 CarbonylContact O-C 3.56Å; L686-V811 VanDerWaalsContact O-CA 3.28Å; L686-V811 WeakPolarHBondContact O-CA 3.5Å; A751-V811 CarbonylContact C-O 3.59Å; A751-V811 VanDerWaalsContact CA-O 3.3Å; A751-V811 WeakPolarHBondContact CA-O 3.28Å; V752-V811 HydrophobicContact CB-CB 4.21Å; V752-V811 PolarHBondContact N-O 2.85Å; V752-V811 PolarHBondContact O-N 3.31Å; V754-V811 HydrophobicContact CG2-CG2 3.91Å; L759-V811 HydrophobicContact CD2-CG2 4.04Å; I763-V811 HydrophobicContact CD1-CG1 4.39Å; I763-V811 HydrophobicContact CD1-CG2 4.33Å; I808-V811 HydrophobicContact CG2-CG2 3.7Å; V811-I836 HydrophobicContact CG1-CD1 4.32Å; V811-I836 HydrophobicContact CG2-CD1 3.81Å
812	L	98.3	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.5	174.3	-48.7	178.2	0	0	0	110	V685 L686 L688 L739 V748 A750 A751 V822 L826	V685-L812 WeakPolarHBondContact CA-O 3.45Å; L686-L812 HydrophobicContact CB-CB 4.34Å; L686-L812 PolarHBondContact N-O 3.36Å; L686-L812 PolarHBondContact O-N 2.94Å; L688-L812 HydrophobicContact CD1-CD1 3.87Å; L688-L812 HydrophobicContact CD1-CG 3.93Å; L739-L812 HydrophobicContact CD1-CD1 3.68Å; L739-L812 HydrophobicContact CD1-CD2 3.75Å; L739-L812 HydrophobicContact CD1-CG 4.36Å; L739-L812 HydrophobicContact CD2-CD2 3.94Å; L739-L812 HydrophobicContact CG-CD2 4.48Å; V748-L812 HydrophobicContact CG1-CB 4.28Å; V748-L812 HydrophobicContact CG1-CD2 4.31Å; V748-L812 HydrophobicContact CG2-CD1 4.41Å; A750-L812 CarbonylContact O-C 3.53Å; A750-L812 WeakPolarHBondContact O-CA 3.5Å; A751-L812 HydrophobicContact CB-CD2 3.68Å; L812-V822 HydrophobicContact CD1-CG1 4.23Å; L812-L826 HydrophobicContact CD1-CD1 4.06Å
813	I	97.8	Very high	96.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.4	168.9	-57.4	-179.9	0	0	0	108.2	I679 D683 V684 K749 A750 V766 L767 V839	I679-I813 HydrophobicContact CG2-CG2 4.25Å; D683-I813 HydrophobicContact CB-CG2 3.87Å; V684-I813 WeakPolarHBondContact O-CA 3.4Å; K749-I813 PolarHBondContact N-O 2.98Å; A750-I813 HydrophobicContact CB-CB 4.3Å; A750-I813 HydrophobicContact CB-CD1 4.3Å; A750-I813 HydrophobicContact CB-CG1 4.43Å; A750-I813 PolarHBondContact N-O 2.65Å; A750-I813 PolarHBondContact O-N 3.4Å; V766-I813 HydrophobicContact CG2-CD1 4.43Å; L767-I813 HydrophobicContact CD2-CD1 3.61Å; I813-V839 HydrophobicContact CD1-CG2 4.32Å; I813-V839 HydrophobicContact CG2-CG2 3.88Å
814	V	96.7	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158.7	-177.8	-61.5	0	0	0	0	110.9	D683 V684 L686 V748 V819 V822	D683-V814 WeakPolarHBondContact CB-O 3.47Å; V684-V814 HydrophobicContact CB-CG2 4.25Å; V684-V814 PolarHBondContact N-O 3.42Å; V684-V814 PolarHBondContact O-N 3.17Å; L686-V814 HydrophobicContact CD1-CG1 4.21Å; L686-V814 HydrophobicContact CD1-CG2 3.85Å; L686-V814 HydrophobicContact CG-CG2 4.1Å; V748-V814 HydrophobicContact CG2-CG1 4.12Å; V814-V819 HydrophobicContact CG2-CG2 3.81Å; V814-V822 HydrophobicContact CG1-CB 4.44Å; V814-V822 HydrophobicContact CG1-CG1 4.23Å; V814-V822 HydrophobicContact CG1-CG2 4.12Å
815	E	95.1	Very high	96.4	Very high	62 Å²	62	30.4 Å²	30.4	29%	0.29	18%	0.176	S	C	.	.			trans	-66.6	145.2	167	-174.1	132.7	175.8	0	0	110.4	K680 K749 G817 E818	K680-E815 IonicContact NZ-OE1 2.69Å; K680-E815 PolarHBondContact NZ-OE1 3.13Å; K680-E815 IonicContact NZ-OE2 2.64Å; K680-E815 PolarHBondContact NZ-OE2 2.99Å; K749-E815 IonicContact NZ-OE2 3.49Å; K749-E815 PolarHBondContact NZ-OE2 3.37Å; E815-G817 PolarHBondContact O-N 2.77Å; E815-E818 HydrophobicContact CB-CG 4.33Å; E815-E818 PolarHBondContact O-N 2.78Å
816	N	94.2	Very high	96.4	Very high	94 Å²	94	30.2 Å²	30.2	50%	0.503	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-54.7	-29.1	179.9	-172.4	95.8	0	0	0	113.6	V684 E818	V684-N816 HydrophobicContact CG2-CB 4.05Å; V684-N816 WeakPolarHBondContact CG2-OD1 3.29Å; N816-E818 VanDerWaalsContact C-N 3.33Å
817	G	94.5	Very high	96.4	Very high	60 Å²	60	34.6 Å²	34.6	62%	0.619	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-77.7	-11.7	175.1	0	0	0	0	0	115.3	E815	E815-G817 PolarHBondContact O-N 2.77Å
818	E	95.4	Very high	96.4	Very high	59 Å²	59	42.2 Å²	42.2	28%	0.276	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-104.9	1.2	-177.3	-66.1	-63.3	168.2	0	0	113.3	K747 E815 N816 P821 V822	K747-E818 HydrophobicContact CB-CB 4.35Å; K747-E818 HydrophobicContact CB-CG 4.35Å; K747-E818 VanDerWaalsContact CD-OE2 3.27Å; K747-E818 WeakPolarHBondContact CD-OE2 3.28Å; K747-E818 WeakPolarHBondContact CE-OE2 3.23Å; K747-E818 HydrophobicContact CG-CG 4.35Å; K747-E818 WeakPolarHBondContact CG-OE2 3.29Å; K747-E818 IonicContact NZ-OE1 2.62Å; K747-E818 IonicContact NZ-OE2 3.51Å; K747-E818 PolarHBondContact NZ-OE2 3.01Å; E815-E818 HydrophobicContact CB-CG 4.33Å; E815-E818 PolarHBondContact O-N 2.78Å; N816-E818 VanDerWaalsContact C-N 3.33Å; E818-P821 WeakPolarHBondContact O-CD 3.36Å; E818-V822 WeakPolarHBondContact O-CB 3.44Å; E818-V822 VanDerWaalsContact O-CG2 3.29Å; E818-V822 WeakPolarHBondContact O-CG2 3.49Å; E818-V822 PolarHBondContact O-N 3.41Å
819	V	97.1	Very high	96.3	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-57.3	-60.3	-179.6	171.2	0	0	0	0	112	V684 L686 V814 V822 K823	V684-V819 HydrophobicContact CB-CG2 3.65Å; V684-V819 HydrophobicContact CG1-CG2 3.73Å; V684-V819 HydrophobicContact CG2-CG2 3.84Å; L686-V819 HydrophobicContact CD2-CG1 4.28Å; V814-V819 HydrophobicContact CG2-CG2 3.81Å; V819-V822 PolarHBondContact O-N 3.33Å; V819-K823 VanDerWaalsContact O-CB 3.23Å; V819-K823 WeakPolarHBondContact O-CB 3.45Å; V819-K823 PolarHBondContact O-N 3Å
820	D	96.9	Very high	96.1	Very high	111 Å²	111	51 Å²	51	59%	0.594	28%	0.282	S	S	*	.	H	α-helix	trans	-63.7	-44.9	-177.1	-56.7	-43.1	0	0	0	112.5	V822 K823 N824	D820-V822 PolarHBondContact O-N 3.16Å; D820-K823 PolarHBondContact O-N 2.64Å; D820-N824 VanDerWaalsContact O-CB 3.3Å; D820-N824 WeakPolarHBondContact O-CB 3.42Å; D820-N824 PolarHBondContact O-N 2.93Å; D820-N824 PolarHBondContact O-ND2 2.84Å
821	P	96.1	Very high	96	Very high	56 Å²	56	51.5 Å²	51.5	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-57.2	-42.1	174.4	-26.9	35	0	0	0	114.4	E818 C825	E818-P821 WeakPolarHBondContact O-CD 3.36Å; P821-C825 WeakPolarHBondContact O-CB 3.22Å; P821-C825 PolarHBondContact O-N 3.48Å
822	V	97	Very high	95.9	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-71.3	-44.6	179.1	166.8	0	0	0	0	110.9	L686 I742 K747 L812 V814 E818 V819 D820 C825 L826	L686-V822 HydrophobicContact CD1-CB 4.34Å; L686-V822 HydrophobicContact CD1-CG1 3.77Å; I742-V822 HydrophobicContact CG2-CB 4.47Å; I742-V822 HydrophobicContact CG2-CG1 4Å; I742-V822 HydrophobicContact CG2-CG2 4.09Å; K747-V822 HydrophobicContact CB-CG2 3.83Å; K747-V822 HydrophobicContact CD-CG2 4.21Å; L812-V822 HydrophobicContact CD1-CG1 4.23Å; V814-V822 HydrophobicContact CG1-CB 4.44Å; V814-V822 HydrophobicContact CG1-CG1 4.23Å; V814-V822 HydrophobicContact CG1-CG2 4.12Å; E818-V822 WeakPolarHBondContact O-CB 3.44Å; E818-V822 VanDerWaalsContact O-CG2 3.29Å; E818-V822 WeakPolarHBondContact O-CG2 3.49Å; E818-V822 PolarHBondContact O-N 3.41Å; V819-V822 PolarHBondContact O-N 3.33Å; D820-V822 PolarHBondContact O-N 3.16Å; V822-C825 PolarHBondContact O-N 3.09Å; V822-L826 HydrophobicContact CG1-CD1 4.1Å; V822-L826 WeakPolarHBondContact O-CG 3.37Å; V822-L826 PolarHBondContact O-N 2.77Å; V822-L826 VanDerWaalsContact O-N 3.1Å
823	K	96.7	Very high	95.8	Very high	64 Å²	64	57.7 Å²	57.7	28%	0.278	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-47.6	-179.5	-175.1	177.4	174	-178.2	0	112.1	V819 D820 C825 L826 E827 C833	V819-K823 VanDerWaalsContact O-CB 3.23Å; V819-K823 WeakPolarHBondContact O-CB 3.45Å; V819-K823 PolarHBondContact O-N 3Å; D820-K823 PolarHBondContact O-N 2.64Å; K823-C825 VanDerWaalsContact C-N 3.33Å; K823-C825 PolarHBondContact O-N 3.02Å; K823-L826 WeakPolarHBondContact O-CB 3.06Å; K823-L826 PolarHBondContact O-N 2.9Å; K823-L826 VanDerWaalsContact O-N 3.16Å; K823-E827 WeakPolarHBondContact CE-OE1 3.18Å; K823-E827 IonicContact NZ-OE1 2.96Å; K823-E827 WeakPolarHBondContact O-CG 3.47Å; K823-E827 PolarHBondContact O-N 2.82Å; K823-C833 WeakPolarHBondContact CE-O 2.95Å; K823-C833 HydrophobicContact CG-CB 4.16Å
824	N	95.7	Very high	95.8	Very high	83 Å²	83	59.6 Å²	59.6	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-42.7	178.3	-66.3	-13.6	0	0	0	111.3	D820 L826 E827 E828	D820-N824 VanDerWaalsContact O-CB 3.3Å; D820-N824 WeakPolarHBondContact O-CB 3.42Å; D820-N824 PolarHBondContact O-N 2.93Å; D820-N824 PolarHBondContact O-ND2 2.84Å; N824-L826 VanDerWaalsContact C-N 3.3Å; N824-L826 PolarHBondContact O-N 3.2Å; N824-E827 PolarHBondContact O-N 3.49Å; N824-E828 WeakPolarHBondContact O-CB 3.05Å; N824-E828 WeakPolarHBondContact O-CG 2.85Å; N824-E828 PolarHBondContact O-N 3.4Å
825	C	95.4	Very high	95.9	Very high	31 Å²	31	63.4 Å²	63.4	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-68.7	-27.6	179	-163.3	0	0	0	0	113.3	I742 P821 V822 K823 R829	I742-C825 HydrophobicContact CD1-CB 3.92Å; I742-C825 HydrophobicContact CG1-CB 4.3Å; P821-C825 WeakPolarHBondContact O-CB 3.22Å; P821-C825 PolarHBondContact O-N 3.48Å; V822-C825 PolarHBondContact O-N 3.09Å; K823-C825 VanDerWaalsContact C-N 3.33Å; K823-C825 PolarHBondContact O-N 3.02Å; C825-R829 WeakPolarHBondContact O-CD 3.12Å; C825-R829 WeakPolarHBondContact O-CG 3.01Å
826	L	95.9	Very high	96	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-69.7	-47.3	170.2	-77.7	169.7	0	0	0	111.2	L688 L739 I742 L812 V822 K823 N824 R829 G830 E831 C833	L688-L826 HydrophobicContact CD1-CD1 3.88Å; L688-L826 HydrophobicContact CD2-CD1 4.42Å; L688-L826 HydrophobicContact CD2-CD2 3.8Å; L688-L826 HydrophobicContact CG-CD1 4.19Å; L688-L826 HydrophobicContact CG-CD2 4.38Å; L739-L826 HydrophobicContact CD1-CD2 4.47Å; I742-L826 HydrophobicContact CD1-CB 4.43Å; I742-L826 HydrophobicContact CD1-CD2 3.6Å; I742-L826 HydrophobicContact CD1-CG 3.56Å; L812-L826 HydrophobicContact CD1-CD1 4.06Å; V822-L826 HydrophobicContact CG1-CD1 4.1Å; V822-L826 WeakPolarHBondContact O-CG 3.37Å; V822-L826 PolarHBondContact O-N 2.77Å; V822-L826 VanDerWaalsContact O-N 3.1Å; K823-L826 WeakPolarHBondContact O-CB 3.06Å; K823-L826 PolarHBondContact O-N 2.9Å; K823-L826 VanDerWaalsContact O-N 3.16Å; N824-L826 VanDerWaalsContact C-N 3.3Å; N824-L826 PolarHBondContact O-N 3.2Å; L826-R829 CarbonylContact O-C 3.45Å; L826-R829 WeakPolarHBondContact O-CA 3.38Å; L826-R829 PolarHBondContact O-N 3.26Å; L826-G830 PolarHBondContact O-N 2.83Å; L826-E831 HydrophobicContact CB-CB 4.01Å; L826-E831 HydrophobicContact CD2-CB 4.15Å; L826-E831 HydrophobicContact CD2-CG 4.03Å; L826-E831 WeakPolarHBondContact O-CB 3.1Å; L826-E831 PolarHBondContact O-N 3.38Å; L826-C833 HydrophobicContact CB-CB 4.31Å; L826-C833 HydrophobicContact CD1-CB 3.99Å
827	E	94.8	Very high	96.2	Very high	92 Å²	92	56.5 Å²	56.5	43%	0.43	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-41.3	-178.7	-70.6	177.2	179.2	0	0	112.2	K823 N824 R829 G830 E831	K823-E827 WeakPolarHBondContact CE-OE1 3.18Å; K823-E827 IonicContact NZ-OE1 2.96Å; K823-E827 WeakPolarHBondContact O-CG 3.47Å; K823-E827 PolarHBondContact O-N 2.82Å; N824-E827 PolarHBondContact O-N 3.49Å; E827-R829 PolarHBondContact O-N 2.8Å; E827-R829 VanDerWaalsContact O-N 3.11Å; E827-G830 PolarHBondContact O-N 2.98Å; E827-E831 WeakPolarHBondContact CA-O 3.44Å
828	E	95.5	Very high	96.4	Very high	161 Å²	161	57.9 Å²	57.9	75%	0.752	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.1	170.1	-75.3	175.1	177	0	0	113.4	N824	N824-E828 WeakPolarHBondContact O-CB 3.05Å; N824-E828 WeakPolarHBondContact O-CG 2.85Å; N824-E828 PolarHBondContact O-N 3.4Å
829	R	94.5	Very high	96.5	Very high	124 Å²	124	55.3 Å²	55.3	47%	0.468	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	9	178.5	-66.5	179.2	-171.7	-66.9	-6.7	113.3	S738 C825 L826 E827	S738-R829 WeakPolarHBondContact O-CD 3.11Å; C825-R829 WeakPolarHBondContact O-CD 3.12Å; C825-R829 WeakPolarHBondContact O-CG 3.01Å; L826-R829 CarbonylContact O-C 3.45Å; L826-R829 WeakPolarHBondContact O-CA 3.38Å; L826-R829 PolarHBondContact O-N 3.26Å; E827-R829 PolarHBondContact O-N 2.8Å; E827-R829 VanDerWaalsContact O-N 3.11Å
830	G	94	Very high	96.4	Very high	59 Å²	59	56.2 Å²	56.2	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	17.3	177.2	0	0	0	0	0	114.6	L826 E827	L826-G830 PolarHBondContact O-N 2.83Å; E827-G830 PolarHBondContact O-N 2.98Å
831	E	95.9	Very high	96.2	Very high	11 Å²	11	58.7 Å²	58.7	5%	0.051	28%	0.281	C	S	.	.			trans	-92.1	137.9	172.8	-61.4	-59.4	154.9	0	0	111.5	L688 K733 S738 L826 E827	L688-E831 HydrophobicContact CD2-CG 4.44Å; K733-E831 WeakPolarHBondContact CE-OE1 3.36Å; K733-E831 WeakPolarHBondContact CE-OE2 3.42Å; K733-E831 IonicContact NZ-OE1 2.65Å; K733-E831 PolarHBondContact NZ-OE1 3.46Å; K733-E831 IonicContact NZ-OE2 2.8Å; K733-E831 PolarHBondContact NZ-OE2 3.48Å; S738-E831 WeakPolarHBondContact CB-OE1 2.83Å; S738-E831 PolarHBondContact OG-OE1 3.38Å; L826-E831 HydrophobicContact CB-CB 4.01Å; L826-E831 HydrophobicContact CD2-CB 4.15Å; L826-E831 HydrophobicContact CD2-CG 4.03Å; L826-E831 WeakPolarHBondContact O-CB 3.1Å; L826-E831 PolarHBondContact O-N 3.38Å; E827-E831 WeakPolarHBondContact CA-O 3.44Å
832	R	96.1	Very high	95.8	Very high	127 Å²	127	56.7 Å²	56.7	48%	0.479	27%	0.268	S	S	.	.			trans	-89	122.9	166.3	-67.2	-173.9	-65.7	159.4	3	108.2	L688 A689 H783 Y834	L688-R832 WeakPolarHBondContact CA-O 3.35Å; A689-R832 HydrophobicContact CB-CB 3.81Å; A689-R832 PolarHBondContact N-O 3.08Å; H783-R832 PolarHBondContact NE2-NH2 3.37Å; H783-R832 VanDerWaalsContact NE2-NH2 3.17Å; R832-Y834 HydrophobicContact CB-CE2 4.49Å
833	C	97.2	Very high	95.1	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.027	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.2	-175	-175.8	0	0	0	0	111.3	G687 K823 L826	G687-C833 WeakPolarHBondContact O-CA 3.35Å; K823-C833 WeakPolarHBondContact CE-O 2.95Å; K823-C833 HydrophobicContact CG-CB 4.16Å; L826-C833 HydrophobicContact CB-CB 4.31Å; L826-C833 HydrophobicContact CD1-CB 3.99Å
834	Y	97.7	Very high	94	Very high	41 Å²	41	63.2 Å²	63.2	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.5	-176.9	-50.6	-75.2	0	0	0	110.7	L686 G687 A689 S779 W780 P781 I808 R832 I836	L686-Y834 CarbonylContact C-O 3.59Å; L686-Y834 VanDerWaalsContact CA-O 3.28Å; L686-Y834 WeakPolarHBondContact CA-O 3.24Å; G687-Y834 PolarHBondContact N-O 3.08Å; G687-Y834 WeakPolarHBondContact O-CD2 3.33Å; G687-Y834 PolarHBondContact O-N 3.49Å; A689-Y834 HydrophobicContact CB-CE2 3.94Å; S779-Y834 WeakPolarHBondContact O-CD1 3.39Å; W780-Y834 HydrophobicContact CB-CD1 4.2Å; W780-Y834 HydrophobicContact CB-CD2 3.55Å; W780-Y834 HydrophobicContact CB-CE2 3.97Å; W780-Y834 HydrophobicContact CB-CG 3.67Å; P781-Y834 WeakPolarHBondContact CD-OH 3.36Å; P781-Y834 WeakPolarHBondContact CG-OH 3.39Å; I808-Y834 HydrophobicContact CD1-CD2 3.84Å; I808-Y834 HydrophobicContact CD1-CE2 4.37Å; R832-Y834 HydrophobicContact CB-CE2 4.49Å; Y834-I836 PolarHBondContact O-N 3.37Å
835	E	97.9	Very high	92.9	Very high	81 Å²	81	67.7 Å²	67.7	38%	0.379	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	101.1	164.5	-178.3	172	160.6	0	0	107.6	V684 L686 S779 K838	V684-E835 HydrophobicContact CG1-CG 3.65Å; L686-E835 HydrophobicContact CD2-CB 4.34Å; S779-E835 VanDerWaalsContact CB-O 3.22Å; S779-E835 WeakPolarHBondContact CB-O 3.45Å; S779-E835 PolarHBondContact OG-O 3.33Å; E835-K838 WeakPolarHBondContact OE1-CE 3.37Å; E835-K838 IonicContact OE1-NZ 3.2Å; E835-K838 PolarHBondContact OE1-NZ 2.94Å
836	I	98	Very high	91.8	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-16.3	-171.9	65	166.1	0	0	0	113.9	V685 L775 D776 S779 W780 I808 V811 Y834	V685-I836 HydrophobicContact CB-CG1 4.12Å; V685-I836 HydrophobicContact CG1-CD1 3.88Å; V685-I836 HydrophobicContact CG1-CG1 3.69Å; V685-I836 WeakPolarHBondContact O-CG1 3.33Å; V685-I836 PolarHBondContact O-N 2.82Å; L775-I836 CarbonylContact C-O 3.56Å; L775-I836 WeakPolarHBondContact CA-O 3.44Å; L775-I836 WeakPolarHBondContact CB-O 3.5Å; L775-I836 HydrophobicContact CD1-CD1 4.42Å; L775-I836 HydrophobicContact CD2-CD1 4.18Å; L775-I836 HydrophobicContact CD2-CG1 4.12Å; D776-I836 PolarHBondContact N-O 3.33Å; S779-I836 WeakPolarHBondContact OG-CA 3.35Å; W780-I836 HydrophobicContact CD2-CG2 4.23Å; W780-I836 HydrophobicContact CE3-CB 3.91Å; W780-I836 HydrophobicContact CE3-CG2 3.56Å; W780-I836 HydrophobicContact CZ3-CB 3.92Å; W780-I836 HydrophobicContact CZ3-CG2 4.08Å; I808-I836 HydrophobicContact CD1-CG2 4.18Å; V811-I836 HydrophobicContact CG1-CD1 4.32Å; V811-I836 HydrophobicContact CG2-CD1 3.81Å; Y834-I836 PolarHBondContact O-N 3.37Å
837	G	97.9	Very high	90.6	Very high	10 Å²	10	76.7 Å²	76.7	10%	0.103	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	-170	-178.8	0	0	0	0	0	115.1	V685 I774	V685-G837 WeakPolarHBondContact CB-O 3.47Å; V685-G837 PolarHBondContact N-O 3.45Å; V685-G837 PolarHBondContact O-N 2.69Å; I774-G837 CarbonylContact O-C 3.53Å; I774-G837 WeakPolarHBondContact O-CA 3.48Å
838	K	98.1	Very high	89.6	Confident	89 Å²	89	76 Å²	76	39%	0.387	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.9	177.7	-57.8	-164.5	-176.8	-148.9	0	112.1	D683 V684 V773 I774 E835	D683-K838 WeakPolarHBondContact O-CA 3.48Å; V684-K838 HydrophobicContact CG2-CD 4.48Å; V773-K838 WeakPolarHBondContact CA-O 3.36Å; I774-K838 PolarHBondContact N-O 3.12Å; I774-K838 PolarHBondContact O-N 2.8Å; E835-K838 WeakPolarHBondContact OE1-CE 3.37Å; E835-K838 IonicContact OE1-NZ 3.2Å; E835-K838 PolarHBondContact OE1-NZ 2.94Å
839	V	97.4	Very high	89.1	Confident	4 Å²	4	77 Å²	77	2%	0.024	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.1	173.7	-178.4	0	0	0	0	109.5	I679 K680 G682 D683 V685 L771 G772 V773 I813	I679-V839 HydrophobicContact CG2-CG1 4.15Å; I679-V839 HydrophobicContact CG2-CG2 4.31Å; K680-V839 WeakPolarHBondContact O-CG1 2.99Å; G682-V839 PolarHBondContact N-O 2.75Å; D683-V839 HydrophobicContact CB-CB 4.24Å; D683-V839 HydrophobicContact CB-CG2 3.95Å; D683-V839 PolarHBondContact O-N 3.45Å; V685-V839 HydrophobicContact CG2-CG2 4.22Å; L771-V839 HydrophobicContact CB-CG1 4.07Å; L771-V839 HydrophobicContact CD1-CG1 4Å; L771-V839 HydrophobicContact CD2-CG1 4.42Å; L771-V839 HydrophobicContact CG-CG1 4.39Å; G772-V839 CarbonylContact O-C 3.55Å; G772-V839 VanDerWaalsContact O-CA 3.3Å; G772-V839 WeakPolarHBondContact O-CA 3.36Å; V773-V839 HydrophobicContact CG1-CG2 4.08Å; I813-V839 HydrophobicContact CD1-CG2 4.32Å; I813-V839 HydrophobicContact CG2-CG2 3.88Å
840	Y	95.1	Very high	89	Confident	30 Å²	30	73.5 Å²	73.5	12%	0.118	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	160.7	178.3	79.8	-77.3	0	0	0	110.9	L771 G772 I774 I842 R849 H852	L771-Y840 WeakPolarHBondContact CA-O 2.89Å; G772-Y840 PolarHBondContact N-O 3.39Å; G772-Y840 VanDerWaalsContact O-CD1 3.3Å; G772-Y840 WeakPolarHBondContact O-CD1 3.29Å; G772-Y840 PolarHBondContact O-N 3.08Å; I774-Y840 HydrophobicContact CD1-CD1 3.95Å; I774-Y840 HydrophobicContact CD1-CD2 4.41Å; I774-Y840 HydrophobicContact CD1-CE1 4.4Å; I774-Y840 HydrophobicContact CD1-CG 3.96Å; I774-Y840 HydrophobicContact CG1-CD1 3.64Å; I774-Y840 HydrophobicContact CG1-CE1 3.84Å; I774-Y840 HydrophobicContact CG1-CG 4.19Å; Y840-I842 HydrophobicContact CE2-CG1 3.99Å; Y840-R849 PolarHBondContact OH-O 3.26Å; Y840-H852 PolarHBondContact OH-CD2 2.9Å
841	R	92.6	Very high	89.1	Confident	163 Å²	163	71.1 Å²	71.1	62%	0.615	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.8	171.8	172.5	170.5	-87.6	172.6	-7.8	111.2	E681 L771	E681-R841 PolarHBondContact OE1-N 3.34Å; E681-R841 VanDerWaalsContact OE1-N 3.12Å; L771-R841 HydrophobicContact CD2-CB 4.44Å
842	I	89.3	Confident	89	Confident	15 Å²	15	74 Å²	74	8%	0.077	35%	0.354	C	S	.	.			trans	-73.9	144.3	177.5	-67.1	170.9	0	0	0	110.2	Q770 L771 Y840 P844 E848 Q850	Q770-I842 PolarHBondContact O-N 2.74Å; L771-I842 VanDerWaalsContact O-CD1 3.28Å; L771-I842 WeakPolarHBondContact O-CD1 3.29Å; Y840-I842 HydrophobicContact CE2-CG1 3.99Å; I842-P844 VanDerWaalsContact O-CD 3.3Å; I842-P844 WeakPolarHBondContact O-CD 3.23Å; I842-E848 HydrophobicContact CG2-CB 4.17Å; I842-Q850 HydrophobicContact CD1-CB 4.05Å; I842-Q850 HydrophobicContact CD1-CG 3.59Å
843	N	82.5	Confident	89	Confident	80 Å²	80	69.5 Å²	69.5	43%	0.428	34%	0.339	S	S	.	.			trans	-82.8	110.1	165.7	-176.9	0.4	0	0	0	110.3	E845 A846	N843-E845 PolarHBondContact O-N 2.68Å; N843-E845 VanDerWaalsContact O-N 3.15Å; N843-E845 PolarHBondContact OD1-N 2.72Å; N843-E845 VanDerWaalsContact OD1-N 3.11Å; N843-A846 HydrophobicContact CB-CB 4.11Å; N843-A846 PolarHBondContact O-N 3.21Å; N843-A846 VanDerWaalsContact O-N 3.08Å
844	P	72.1	Confident	89	Confident	121 Å²	121	76.2 Å²	76.2	79%	0.786	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-64	-20.4	-177.8	27.1	-35.4	0	0	0	113.7	I842 A846	I842-P844 VanDerWaalsContact O-CD 3.3Å; I842-P844 WeakPolarHBondContact O-CD 3.23Å; P844-A846 VanDerWaalsContact C-N 3.32Å
845	E	73.5	Confident	88.9	Confident	178 Å²	178	77.5 Å²	77.5	83%	0.832	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-77	-17.6	177	-60.5	-175.2	170.1	0	0	113.1	N843	N843-E845 PolarHBondContact O-N 2.68Å; N843-E845 VanDerWaalsContact O-N 3.15Å; N843-E845 PolarHBondContact OD1-N 2.72Å; N843-E845 VanDerWaalsContact OD1-N 3.11Å
846	A	71.3	Confident	88.6	Confident	60 Å²	60	74.6 Å²	74.6	50%	0.496	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-89.8	-7.8	-171.5	0	0	0	0	0	114.7	N843 P844 E848	N843-A846 HydrophobicContact CB-CB 4.11Å; N843-A846 PolarHBondContact O-N 3.21Å; N843-A846 VanDerWaalsContact O-N 3.08Å; P844-A846 VanDerWaalsContact C-N 3.32Å; A846-E848 HydrophobicContact CB-CB 4.11Å; A846-E848 PolarHBondContact O-N 3.1Å
847	N	71.5	Confident	88.2	Confident	160 Å²	160	80 Å²	80	86%	0.856	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	37.3	-170.6	-160.7	37.8	0	0	0	112.6
848	E	74.2	Confident	87.8	Confident	77 Å²	77	83.6 Å²	83.6	36%	0.36	40%	0.404	S	S	.	.			trans	-75.8	147.9	-172	-177.2	172.8	-137.2	0	0	111.6	I842 A846 H852	I842-E848 HydrophobicContact CG2-CB 4.17Å; A846-E848 HydrophobicContact CB-CB 4.11Å; A846-E848 PolarHBondContact O-N 3.1Å; E848-H852 WeakPolarHBondContact CG-NE2 3.38Å; E848-H852 IonicContact OE1-CE1 3.38Å; E848-H852 IonicContact OE1-NE2 3.03Å
849	R	84.5	Confident	87.4	Confident	182 Å²	182	79.8 Å²	79.8	69%	0.687	39%	0.389	S	S	*	.			trans	-77.5	144.5	179.7	-67.6	-174.8	-180	-175.4	-0.5	110	Y840 V851 H852	Y840-R849 PolarHBondContact OH-O 3.26Å; R849-V851 PolarHBondContact O-N 2.73Å; R849-H852 PolarHBondContact O-CD2 3.46Å; R849-H852 VanDerWaalsContact O-CD2 3.23Å; R849-H852 PolarHBondContact O-NE2 2.71Å; R849-H852 VanDerWaalsContact O-NE2 3.12Å
850	Q	93	Very high	86.9	Confident	51 Å²	51	80.9 Å²	80.9	24%	0.238	39%	0.393	C	S	.	.	S	Bend	trans	-67.4	-5.9	177.1	-56.8	-168.8	-102.7	0	0	114.2	P764 L767 P768 L771 G772 V773 I842	P764-Q850 HydrophobicContact CB-CB 4.33Å; P764-Q850 HydrophobicContact CG-CB 4.18Å; L767-Q850 HydrophobicContact CD1-CB 4.36Å; P768-Q850 PolarHBondContact O-NE2 2.83Å; L771-Q850 PolarHBondContact O-NE2 3.06Å; G772-Q850 CarbonylContact C-O 3.52Å; G772-Q850 WeakPolarHBondContact CA-O 3.14Å; V773-Q850 PolarHBondContact N-O 2.92Å; I842-Q850 HydrophobicContact CD1-CB 4.05Å; I842-Q850 HydrophobicContact CD1-CG 3.59Å
851	V	95.6	Very high	85.9	Confident	8 Å²	8	83.3 Å²	83.3	5%	0.048	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.5	178.8	-175.6	0	0	0	0	110.3	I760 I763 P764 V773 L775 R849 I853	I760-V851 HydrophobicContact CD1-CB 4.33Å; I760-V851 HydrophobicContact CD1-CG1 3.91Å; I763-V851 HydrophobicContact CB-CG2 4.1Å; P764-V851 HydrophobicContact CG-CG2 3.89Å; V773-V851 HydrophobicContact CG2-CB 4.33Å; V773-V851 HydrophobicContact CG2-CG1 4.12Å; V773-V851 HydrophobicContact CG2-CG2 3.97Å; L775-V851 HydrophobicContact CD1-CG1 4.29Å; R849-V851 PolarHBondContact O-N 2.73Å; V851-I853 HydrophobicContact CG1-CG1 4.08Å
852	H	94.4	Very high	84.4	Confident	72 Å²	72	81 Å²	81	33%	0.333	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.8	170.3	-71.7	-103.5	0	0	0	109.6	V773 I774 L775 Y840 E848 R849	V773-H852 PolarHBondContact O-N 2.57Å; I774-H852 CarbonylContact C-O 3.53Å; I774-H852 WeakPolarHBondContact CA-O 3.48Å; I774-H852 HydrophobicContact CG1-CB 4.4Å; L775-H852 PolarHBondContact N-O 3.44Å; Y840-H852 PolarHBondContact OH-CD2 2.9Å; E848-H852 WeakPolarHBondContact CG-NE2 3.38Å; E848-H852 IonicContact OE1-CE1 3.38Å; E848-H852 IonicContact OE1-NE2 3.03Å; R849-H852 PolarHBondContact O-CD2 3.46Å; R849-H852 VanDerWaalsContact O-CD2 3.23Å; R849-H852 PolarHBondContact O-NE2 2.71Å; R849-H852 VanDerWaalsContact O-NE2 3.12Å
853	I	96	Very high	82.7	Confident	32 Å²	32	83 Å²	83	16%	0.164	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.5	179.3	-47.8	-175	0	0	0	109.1	L759 I760 L775 A777 W780 A801 V851 L856	L759-I853 HydrophobicContact CB-CD1 4.13Å; L759-I853 HydrophobicContact CD1-CD1 4.25Å; I760-I853 HydrophobicContact CD1-CD1 3.7Å; I760-I853 HydrophobicContact CD1-CG1 4.07Å; L775-I853 HydrophobicContact CB-CG1 4.3Å; L775-I853 HydrophobicContact CB-CG2 4.3Å; L775-I853 HydrophobicContact CD1-CD1 4.36Å; L775-I853 HydrophobicContact CD1-CG1 4.21Å; A777-I853 HydrophobicContact CB-CG2 3.94Å; W780-I853 HydrophobicContact CH2-CG2 4.36Å; A801-I853 HydrophobicContact CB-CD1 3.87Å; V851-I853 HydrophobicContact CG1-CG1 4.08Å; I853-L856 HydrophobicContact CB-CD2 4.26Å; I853-L856 HydrophobicContact CD1-CD2 4.49Å; I853-L856 HydrophobicContact CG2-CB 4.11Å; I853-L856 HydrophobicContact CG2-CD1 4.18Å; I853-L856 HydrophobicContact CG2-CD2 4.28Å; I853-L856 HydrophobicContact CG2-CG 4.42Å
854	R	96.3	Very high	81.1	Confident	146 Å²	146	83.6 Å²	83.6	55%	0.551	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	155	175.2	-64.2	-179.2	176.4	170.7	1.4	110.5	I774 L775 A777 L856	I774-R854 HydrophobicContact CG2-CG 4.17Å; L775-R854 WeakPolarHBondContact O-CB 3.39Å; L775-R854 PolarHBondContact O-N 2.93Å; A777-R854 WeakPolarHBondContact CB-O 3.37Å; A777-R854 PolarHBondContact N-O 2.97Å; R854-L856 PolarHBondContact O-N 2.78Å
855	N	94.9	Very high	80	Confident	67 Å²	67	80.8 Å²	80.8	36%	0.358	41%	0.41	S	S	.	.	S	Bend	trans	57	13.9	171.5	-50	-33.6	0	0	0	116.1	D776 L778 N857 E858 A859	D776-N855 VanDerWaalsContact CG-ND2 3.25Å; D776-N855 PolarHBondContact OD1-ND2 3.17Å; D776-N855 PolarHBondContact OD2-ND2 2.92Å; D776-N855 VanDerWaalsContact OD2-ND2 3.11Å; L778-N855 HydrophobicContact CD1-CB 3.77Å; L778-N855 HydrophobicContact CD2-CB 4.46Å; L778-N855 HydrophobicContact CG-CB 3.61Å; N855-N857 PolarHBondContact O-N 2.93Å; N855-E858 WeakPolarHBondContact O-CA 2.99Å; N855-E858 WeakPolarHBondContact O-CB 3.32Å; N855-E858 PolarHBondContact O-N 3.35Å; N855-A859 PolarHBondContact O-N 2.86Å
856	L	92	Very high	78.9	Confident	20 Å²	20	72.7 Å²	72.7	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-58.8	-41.5	-174.7	-172.2	57.4	0	0	0	113.2	A777 I782 P797 A801 I853 R854 E858 A859 F860	A777-L856 HydrophobicContact CB-CB 4.2Å; A777-L856 HydrophobicContact CB-CD1 3.86Å; I782-L856 HydrophobicContact CD1-CD1 4.26Å; P797-L856 HydrophobicContact CB-CD2 4.39Å; P797-L856 HydrophobicContact CB-CG 3.85Å; P797-L856 WeakPolarHBondContact O-CD2 3.36Å; A801-L856 HydrophobicContact CB-CD1 4.49Å; A801-L856 HydrophobicContact CB-CD2 3.87Å; I853-L856 HydrophobicContact CB-CD2 4.26Å; I853-L856 HydrophobicContact CD1-CD2 4.49Å; I853-L856 HydrophobicContact CG2-CB 4.11Å; I853-L856 HydrophobicContact CG2-CD1 4.18Å; I853-L856 HydrophobicContact CG2-CD2 4.28Å; I853-L856 HydrophobicContact CG2-CG 4.42Å; R854-L856 PolarHBondContact O-N 2.78Å; L856-E858 VanDerWaalsContact C-N 3.32Å; L856-E858 PolarHBondContact O-N 3.4Å; L856-A859 PolarHBondContact O-N 3.27Å; L856-F860 HydrophobicContact CD1-CD2 4.05Å; L856-F860 HydrophobicContact CD1-CE2 3.88Å; L856-F860 HydrophobicContact CG-CD2 4.5Å; L856-F860 WeakPolarHBondContact O-CD2 3.48Å; L856-F860 PolarHBondContact O-N 2.8Å
857	N	90.4	Very high	77.7	Confident	115 Å²	115	73.7 Å²	73.7	62%	0.615	37%	0.373	S	S	*	.	H	α-helix	trans	-64.5	-34.8	173.6	-67.4	-39.2	0	0	0	112.7	P797 N855 S861	P797-N857 WeakPolarHBondContact CG-OD1 3.41Å; N855-N857 PolarHBondContact O-N 2.93Å; N857-S861 WeakPolarHBondContact O-CB 3.43Å; N857-S861 PolarHBondContact O-N 2.9Å
858	E	90.2	Very high	76.5	Confident	86 Å²	86	69 Å²	69	40%	0.402	35%	0.35	S	S	.	.	H	α-helix	trans	-71.4	-42.5	177.8	-164	-166	130.8	0	0	110.7	L778 N855 L856 F860 S861 K862	L778-E858 WeakPolarHBondContact CD1-OE1 3.4Å; L778-E858 HydrophobicContact CD2-CB 4.4Å; L778-E858 HydrophobicContact CD2-CG 4.46Å; N855-E858 WeakPolarHBondContact O-CA 2.99Å; N855-E858 WeakPolarHBondContact O-CB 3.32Å; N855-E858 PolarHBondContact O-N 3.35Å; L856-E858 VanDerWaalsContact C-N 3.32Å; L856-E858 PolarHBondContact O-N 3.4Å; E858-F860 VanDerWaalsContact C-N 3.34Å; E858-F860 PolarHBondContact O-N 2.78Å; E858-S861 WeakPolarHBondContact O-CB 3.2Å; E858-S861 PolarHBondContact O-N 2.85Å; E858-S861 PolarHBondContact O-OG 2.79Å; E858-K862 WeakPolarHBondContact OE1-CE 3.49Å; E858-K862 IonicContact OE1-NZ 2.73Å; E858-K862 PolarHBondContact OE1-NZ 3.09Å
859	A	89.8	Confident	75.2	Confident	9 Å²	9	66.9 Å²	66.9	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-58	-43.1	177.7	0	0	0	0	0	112.4	A777 L778 I782 N855 L856 S861	A777-A859 HydrophobicContact CB-CB 3.69Å; A777-A859 VanDerWaalsContact O-CB 3.28Å; A777-A859 WeakPolarHBondContact O-CB 3.2Å; L778-A859 HydrophobicContact CD2-CB 4.08Å; I782-A859 HydrophobicContact CD1-CB 3.48Å; I782-A859 VanDerWaalsContact CD1-CB 3.48Å; I782-A859 HydrophobicContact CG1-CB 4.16Å; N855-A859 PolarHBondContact O-N 2.86Å; L856-A859 PolarHBondContact O-N 3.27Å; A859-S861 VanDerWaalsContact C-N 3.28Å; A859-S861 PolarHBondContact O-N 3.01Å
860	F	86	Confident	73.6	Confident	26 Å²	26	59.2 Å²	59.2	11%	0.114	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11	174.8	-87.3	-87.3	0	0	0	114.7	I782 F786 Q787 A790 P797 M800 L856 E858	I782-F860 HydrophobicContact CD1-CD2 3.56Å; I782-F860 HydrophobicContact CD1-CE2 3.47Å; I782-F860 VanDerWaalsContact CD1-CE2 3.47Å; I782-F860 HydrophobicContact CD1-CG 4.35Å; I782-F860 HydrophobicContact CD1-CZ 4.17Å; I782-F860 HydrophobicContact CG2-CD1 4.4Å; I782-F860 HydrophobicContact CG2-CE1 3.96Å; I782-F860 HydrophobicContact CG2-CE2 4.2Å; I782-F860 HydrophobicContact CG2-CZ 3.86Å; F786-F860 HydrophobicContact CB-CE1 4.23Å; F786-F860 HydrophobicContact CB-CZ 4.45Å; Q787-F860 HydrophobicContact CG-CD1 4.1Å; A790-F860 HydrophobicContact CB-CD1 3.83Å; A790-F860 HydrophobicContact CB-CE1 3.79Å; P797-F860 HydrophobicContact CB-CB 4.38Å; P797-F860 HydrophobicContact CB-CD2 3.64Å; P797-F860 HydrophobicContact CB-CE2 4.14Å; P797-F860 HydrophobicContact CB-CG 4.12Å; P797-F860 HydrophobicContact CG-CB 3.93Å; P797-F860 HydrophobicContact CG-CD2 4.1Å; P797-F860 HydrophobicContact CG-CG 4.06Å; M800-F860 HydrophobicContact CB-CE1 4.24Å; M800-F860 HydrophobicContact CB-CE2 4.14Å; M800-F860 HydrophobicContact CB-CZ 3.6Å; M800-F860 HydrophobicContact CE-CE1 4.19Å; M800-F860 HydrophobicContact CE-CZ 4.26Å; M800-F860 HydrophobicContact CG-CE1 4.07Å; M800-F860 HydrophobicContact CG-CZ 3.94Å; L856-F860 HydrophobicContact CD1-CD2 4.05Å; L856-F860 HydrophobicContact CD1-CE2 3.88Å; L856-F860 HydrophobicContact CG-CD2 4.5Å; L856-F860 WeakPolarHBondContact O-CD2 3.48Å; L856-F860 PolarHBondContact O-N 2.8Å; E858-F860 VanDerWaalsContact C-N 3.34Å; E858-F860 PolarHBondContact O-N 2.78Å
861	S	75	Confident	71.4	Confident	82 Å²	82	64.5 Å²	64.5	57%	0.573	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.9	-177.9	74	0	0	0	0	114.8	N857 E858 A859 L863	N857-S861 WeakPolarHBondContact O-CB 3.43Å; N857-S861 PolarHBondContact O-N 2.9Å; E858-S861 WeakPolarHBondContact O-CB 3.2Å; E858-S861 PolarHBondContact O-N 2.85Å; E858-S861 PolarHBondContact O-OG 2.79Å; A859-S861 VanDerWaalsContact C-N 3.28Å; A859-S861 PolarHBondContact O-N 3.01Å; S861-L863 PolarHBondContact O-N 3.32Å
862	K	60.6	Low	69.1	Low	115 Å²	115	68.6 Å²	68.6	50%	0.5	35%	0.354	S	S	.	.			trans	-86.1	0.3	-159.6	-86.5	177.7	177.5	171.5	0	117.8	L778 E858	L778-K862 HydrophobicContact CD2-CD 4.37Å; E858-K862 WeakPolarHBondContact OE1-CE 3.49Å; E858-K862 IonicContact OE1-NZ 2.73Å; E858-K862 PolarHBondContact OE1-NZ 3.09Å
863	L	53.8	Low	66.9	Low	55 Å²	55	68.9 Å²	68.9	29%	0.288	36%	0.357	S	S	.	.			trans	-121.6	114.3	172.7	-80.5	116.1	0	0	0	115	D784 S861 C865 T867	D784-L863 WeakPolarHBondContact OD1-CD1 3.46Å; S861-L863 PolarHBondContact O-N 3.32Å; L863-C865 VanDerWaalsContact C-N 3.3Å; L863-C865 WeakPolarHBondContact CD2-SG 3.35Å; L863-C865 PolarHBondContact O-N 3.33Å; L863-T867 PolarHBondContact O-OG1 2.91Å
864	P	49.2	Very low	64.7	Low	93 Å²	93	75.6 Å²	75.6	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-67.3	-24	172.1	-21	32.9	0	0	0	114.4	T867 T868	P864-T867 WeakPolarHBondContact CA-OG1 3.29Å; P864-T867 PolarHBondContact O-OG1 3.26Å; P864-T868 WeakPolarHBondContact O-CB 3.34Å; P864-T868 PolarHBondContact O-N 2.93Å; P864-T868 PolarHBondContact O-OG1 3.46Å
865	C	47.4	Very low	63.1	Low	62 Å²	62	71.3 Å²	71.3	42%	0.419	38%	0.378	S	S	.	.	H	α-helix	trans	-65.1	-44.6	-172.1	57.9	0	0	0	0	112	L863 T868 S869	L863-C865 VanDerWaalsContact C-N 3.3Å; L863-C865 WeakPolarHBondContact CD2-SG 3.35Å; L863-C865 PolarHBondContact O-N 3.33Å; C865-T868 PolarHBondContact O-N 3.28Å; C865-S869 WeakPolarHBondContact O-CB 3.43Å; C865-S869 PolarHBondContact O-N 2.91Å; C865-S869 PolarHBondContact O-OG 3.13Å
866	I	51.1	Low	62.3	Low	8 Å²	8	75.5 Å²	75.5	4%	0.041	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-45.2	178.7	-66.5	166.8	0	0	0	110.8	D784 Q787 W788 A791 T868 S869 I870	D784-I866 HydrophobicContact CB-CD1 4.02Å; D784-I866 WeakPolarHBondContact O-CD1 3.48Å; Q787-I866 HydrophobicContact CB-CD1 3.74Å; W788-I866 HydrophobicContact CB-CD1 4.45Å; W788-I866 HydrophobicContact CB-CG2 4.42Å; A791-I866 HydrophobicContact CB-CG2 4.23Å; I866-T868 PolarHBondContact O-N 2.86Å; I866-S869 PolarHBondContact O-N 2.84Å; I866-I870 HydrophobicContact CG2-CD1 3.68Å; I866-I870 HydrophobicContact CG2-CG1 4.39Å; I866-I870 WeakPolarHBondContact O-CB 3.37Å; I866-I870 WeakPolarHBondContact O-CG1 3.46Å; I866-I870 PolarHBondContact O-N 2.88Å
867	T	46.9	Very low	62.1	Low	82 Å²	82	77.1 Å²	77.1	50%	0.503	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-33.5	175.5	19.5	0	0	0	0	112.2	L863 P864 K871	L863-T867 PolarHBondContact O-OG1 2.91Å; P864-T867 WeakPolarHBondContact CA-OG1 3.29Å; P864-T867 PolarHBondContact O-OG1 3.26Å; T867-K871 VanDerWaalsContact O-CB 3.3Å; T867-K871 WeakPolarHBondContact O-CB 3.22Å; T867-K871 PolarHBondContact O-N 2.8Å
868	T	45.2	Very low	62.2	Low	61 Å²	61	75.3 Å²	75.3	37%	0.374	38%	0.381	S	S	.	.	H	α-helix	trans	-71.4	-47.9	175.7	-61.8	0	0	0	0	111.3	P864 C865 I866 I870 K871 Y872	P864-T868 WeakPolarHBondContact O-CB 3.34Å; P864-T868 PolarHBondContact O-N 2.93Å; P864-T868 PolarHBondContact O-OG1 3.46Å; C865-T868 PolarHBondContact O-N 3.28Å; I866-T868 PolarHBondContact O-N 2.86Å; T868-I870 PolarHBondContact O-N 2.83Å; T868-K871 WeakPolarHBondContact O-CB 3.38Å; T868-K871 PolarHBondContact O-N 2.72Å; T868-Y872 HydrophobicContact CG2-CD2 3.66Å; T868-Y872 HydrophobicContact CG2-CE2 3.36Å; T868-Y872 WeakPolarHBondContact O-CD2 3.33Å; T868-Y872 PolarHBondContact O-N 3.48Å
869	S	47.5	Very low	62.5	Low	33 Å²	33	72.5 Å²	72.5	23%	0.231	37%	0.369	C	S	.	.	H	α-helix	trans	-60.8	-41.3	175.2	-71.1	0	0	0	0	112.6	C865 I866 Y872 L873	C865-S869 WeakPolarHBondContact O-CB 3.43Å; C865-S869 PolarHBondContact O-N 2.91Å; C865-S869 PolarHBondContact O-OG 3.13Å; I866-S869 PolarHBondContact O-N 2.84Å; S869-Y872 PolarHBondContact O-N 3.08Å; S869-L873 WeakPolarHBondContact O-CG 3.45Å; S869-L873 PolarHBondContact O-N 3.36Å
870	I	49.7	Very low	62.9	Low	21 Å²	21	72.1 Å²	72.1	11%	0.108	37%	0.365	C	S	.	.	H	α-helix	trans	-69.7	-37.4	175.4	-67.5	171.9	0	0	0	111.3	A791 I866 T868 Y872 L873 K874	A791-I870 HydrophobicContact CB-CD1 3.45Å; A791-I870 VanDerWaalsContact CB-CD1 3.45Å; I866-I870 HydrophobicContact CG2-CD1 3.68Å; I866-I870 HydrophobicContact CG2-CG1 4.39Å; I866-I870 WeakPolarHBondContact O-CB 3.37Å; I866-I870 WeakPolarHBondContact O-CG1 3.46Å; I866-I870 PolarHBondContact O-N 2.88Å; T868-I870 PolarHBondContact O-N 2.83Å; I870-Y872 VanDerWaalsContact C-N 3.33Å; I870-Y872 PolarHBondContact O-N 2.57Å; I870-L873 PolarHBondContact O-N 3.48Å; I870-K874 HydrophobicContact CG2-CD 4.39Å; I870-K874 WeakPolarHBondContact O-CB 3.47Å; I870-K874 WeakPolarHBondContact O-CG 3.42Å; I870-K874 PolarHBondContact O-N 3.32Å
871	K	46.7	Very low	63.5	Low	162 Å²	162	70.9 Å²	70.9	70%	0.704	36%	0.36	S	S	*	.	H	α-helix	trans	-61.1	-40.1	169.4	-93.6	-177.3	173	176.1	0	112.2	T867 T868 K874 S875	T867-K871 VanDerWaalsContact O-CB 3.3Å; T867-K871 WeakPolarHBondContact O-CB 3.22Å; T867-K871 PolarHBondContact O-N 2.8Å; T868-K871 WeakPolarHBondContact O-CB 3.38Å; T868-K871 PolarHBondContact O-N 2.72Å; K871-K874 CarbonylContact O-C 3.49Å; K871-K874 PolarHBondContact O-N 3.38Å; K871-S875 WeakPolarHBondContact O-CB 3.45Å; K871-S875 PolarHBondContact O-N 3.32Å
872	Y	48.4	Very low	64.5	Low	93 Å²	93	67 Å²	67	37%	0.365	33%	0.333	S	S	.	.	H	α-helix	trans	-70.2	-38.4	176.9	-78.3	-58	0	0	0	112.5	T868 S869 I870 K874 S875	T868-Y872 HydrophobicContact CG2-CD2 3.66Å; T868-Y872 HydrophobicContact CG2-CE2 3.36Å; T868-Y872 WeakPolarHBondContact O-CD2 3.33Å; T868-Y872 PolarHBondContact O-N 3.48Å; S869-Y872 PolarHBondContact O-N 3.08Å; I870-Y872 VanDerWaalsContact C-N 3.33Å; I870-Y872 PolarHBondContact O-N 2.57Å; Y872-K874 PolarHBondContact O-N 2.85Å; Y872-S875 WeakPolarHBondContact O-CB 3.36Å; Y872-S875 PolarHBondContact O-N 3.46Å; Y872-S875 PolarHBondContact O-OG 3.13Å
873	L	48.2	Very low	66.3	Low	79 Å²	79	61.5 Å²	61.5	41%	0.414	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-27.6	170.2	-72.8	165.6	0	0	0	112.4	S869 I870	S869-L873 WeakPolarHBondContact O-CG 3.45Å; S869-L873 PolarHBondContact O-N 3.36Å; I870-L873 PolarHBondContact O-N 3.48Å
874	K	50.4	Low	68.3	Low	173 Å²	173	58.9 Å²	58.9	75%	0.752	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	2.1	171	-68.9	-179.4	178.6	178.7	0	114	I870 K871 Y872	I870-K874 HydrophobicContact CG2-CD 4.39Å; I870-K874 WeakPolarHBondContact O-CB 3.47Å; I870-K874 WeakPolarHBondContact O-CG 3.42Å; I870-K874 PolarHBondContact O-N 3.32Å; K871-K874 CarbonylContact O-C 3.49Å; K871-K874 PolarHBondContact O-N 3.38Å; Y872-K874 PolarHBondContact O-N 2.85Å
875	S	61.4	Low	70.3	Confident	55 Å²	55	54.6 Å²	54.6	39%	0.385	27%	0.268	S	S	.	.	S	Bend	trans	-91	153.6	-176	75.4	0	0	0	0	113	K871 Y872 K877	K871-S875 WeakPolarHBondContact O-CB 3.45Å; K871-S875 PolarHBondContact O-N 3.32Å; Y872-S875 WeakPolarHBondContact O-CB 3.36Å; Y872-S875 PolarHBondContact O-N 3.46Å; Y872-S875 PolarHBondContact O-OG 3.13Å; S875-K877 PolarHBondContact O-N 2.98Å
876	R	78.5	Confident	72.3	Confident	155 Å²	155	53.1 Å²	53.1	59%	0.585	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-59.9	124.2	174	167.4	173.9	165.5	170.4	-3.9	109.3	E955	R876-E955 IonicContact CZ-OE2 3.21Å; R876-E955 IonicContact NH1-OE2 2.79Å; R876-E955 PolarHBondContact NH1-OE2 2.85Å; R876-E955 IonicContact NH2-OE2 2.71Å; R876-E955 PolarHBondContact NH2-OE2 2.92Å
877	K	87.7	Confident	74	Confident	54 Å²	54	58 Å²	58	24%	0.235	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-56.2	138.1	170.7	-63.2	-169.3	176.4	-153.4	0	110.7	S875 S898 Q900 S903 S904 D906	S875-K877 PolarHBondContact O-N 2.98Å; K877-S898 PolarHBondContact NZ-O 3.45Å; K877-Q900 PolarHBondContact NZ-O 3.42Å; K877-S903 WeakPolarHBondContact CD-O 3.39Å; K877-S903 WeakPolarHBondContact CE-O 3.31Å; K877-S903 PolarHBondContact NZ-O 3.03Å; K877-S904 CarbonylContact C-O 3.59Å; K877-S904 VanDerWaalsContact CA-O 3.28Å; K877-S904 WeakPolarHBondContact CA-O 3.49Å; K877-D906 HydrophobicContact CB-CB 4.18Å; K877-D906 HydrophobicContact CD-CB 4.14Å
878	K	92.7	Very high	76.1	Confident	78 Å²	78	54.4 Å²	54.4	34%	0.339	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132	173.9	-69.9	-58.4	-171.7	-172.8	0	111.2	V880 S904 Y905 D906 E957 L958 A1075	K878-V880 PolarHBondContact O-N 3.49Å; K878-S904 PolarHBondContact N-O 3.37Å; K878-Y905 CarbonylContact O-C 3.55Å; K878-Y905 WeakPolarHBondContact O-CA 3.28Å; K878-Y905 WeakPolarHBondContact O-CB 3.27Å; K878-D906 PolarHBondContact O-N 3.31Å; K878-E957 WeakPolarHBondContact CA-OE2 3.35Å; K878-E957 HydrophobicContact CD-CB 4.31Å; K878-E957 VanDerWaalsContact CD-CD 3.45Å; K878-E957 VanDerWaalsContact CD-OE1 3.24Å; K878-E957 WeakPolarHBondContact CD-OE1 3.44Å; K878-E957 VanDerWaalsContact CD-OE2 3.29Å; K878-E957 WeakPolarHBondContact CD-OE2 3.25Å; K878-E957 IonicContact NZ-OE1 3.67Å; K878-E957 PolarHBondContact NZ-OE1 2.88Å; K878-E957 IonicContact NZ-OE2 3.63Å; K878-L958 HydrophobicContact CB-CD1 4.29Å; K878-A1075 HydrophobicContact CB-CB 3.92Å; K878-A1075 HydrophobicContact CG-CB 3.84Å
879	L	96.6	Very high	78.4	Confident	27 Å²	27	53 Å²	53	14%	0.141	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.4	178.8	-54.9	-166.1	0	0	0	110.4	V908 E955 E957 L958	L879-V908 HydrophobicContact CB-CG1 4.18Å; L879-V908 HydrophobicContact CB-CG2 4.02Å; L879-V908 HydrophobicContact CD1-CG1 4.28Å; L879-V908 HydrophobicContact CD2-CG1 3.81Å; L879-V908 HydrophobicContact CG-CG1 4.29Å; L879-E955 HydrophobicContact CD1-CB 3.83Å; L879-E957 PolarHBondContact N-OE2 3.43Å; L879-E957 PolarHBondContact O-N 2.79Å; L879-L958 PolarHBondContact O-N 2.68Å
880	V	97.7	Very high	80.7	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136	-175.7	167.4	0	0	0	0	111	K878 V882 Y905 D906 V907 V908 L958 C960 V1071	K878-V880 PolarHBondContact O-N 3.49Å; V880-V882 HydrophobicContact CG1-CG2 4.13Å; V880-Y905 HydrophobicContact CB-CD2 4.16Å; V880-Y905 HydrophobicContact CG2-CD2 3.78Å; V880-Y905 HydrophobicContact CG2-CG 4Å; V880-D906 PolarHBondContact N-O 3.5Å; V880-V907 HydrophobicContact CB-CG2 4.36Å; V880-V907 HydrophobicContact CG1-CG2 4.14Å; V880-V907 CarbonylContact O-C 3.46Å; V880-V907 WeakPolarHBondContact O-CA 3.48Å; V880-V908 PolarHBondContact O-N 2.74Å; V880-L958 WeakPolarHBondContact CA-O 3.36Å; V880-L958 HydrophobicContact CG2-CB 3.86Å; V880-C960 HydrophobicContact CG1-CB 4.35Å; V880-V1071 HydrophobicContact CG2-CG1 4.28Å
881	A	97.9	Very high	82.9	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.6	162	0	0	0	0	0	111.4	L909 L951 V956 L958 I959 C960	A881-L909 CarbonylContact C-O 3.47Å; A881-L909 VanDerWaalsContact CA-O 3.23Å; A881-L909 WeakPolarHBondContact CA-O 3.21Å; A881-L909 HydrophobicContact CB-CB 4.16Å; A881-L951 HydrophobicContact CB-CD2 3.47Å; A881-L951 VanDerWaalsContact CB-CD2 3.47Å; A881-V956 HydrophobicContact CB-CB 4.41Å; A881-V956 HydrophobicContact CB-CG1 3.71Å; A881-V956 HydrophobicContact CB-CG2 3.84Å; A881-L958 PolarHBondContact N-O 3.22Å; A881-I959 CarbonylContact O-C 3.54Å; A881-I959 WeakPolarHBondContact O-CA 3.42Å; A881-C960 PolarHBondContact O-N 2.98Å
882	V	97.9	Very high	85.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.6	177.1	-172.1	0	0	0	0	110.4	V880 I884 M891 L894 V907 L909 V910 I911 C960 A962	V880-V882 HydrophobicContact CG1-CG2 4.13Å; V882-I884 HydrophobicContact CG1-CG2 4.13Å; V882-M891 HydrophobicContact CB-CG 4.1Å; V882-M891 HydrophobicContact CG1-CB 3.8Å; V882-M891 HydrophobicContact CG1-CG 3.83Å; V882-L894 HydrophobicContact CG1-CD1 4.01Å; V882-L894 HydrophobicContact CG2-CB 4.47Å; V882-L894 HydrophobicContact CG2-CD1 3.96Å; V882-V907 HydrophobicContact CG2-CG1 3.64Å; V882-V907 HydrophobicContact CG2-CG2 4.16Å; V882-L909 PolarHBondContact N-O 2.89Å; V882-V910 HydrophobicContact CB-CG2 4.43Å; V882-V910 WeakPolarHBondContact O-CA 3.42Å; V882-I911 PolarHBondContact O-N 3.34Å; V882-C960 CarbonylContact C-O 3.4Å; V882-C960 WeakPolarHBondContact CA-O 3.47Å; V882-C960 HydrophobicContact CG1-CB 4.49Å; V882-C960 HydrophobicContact CG2-CB 4.24Å; V882-A962 HydrophobicContact CG1-CB 3.53Å
883	L	96.8	Very high	87.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.8	176.9	-51	-170.4	0	0	0	110.1	I911 L947 I959 C960 L961 A962 F964	L883-I911 WeakPolarHBondContact CA-O 3.31Å; L883-I911 HydrophobicContact CD2-CB 3.69Å; L883-I911 HydrophobicContact CD2-CD1 4.06Å; L883-I911 HydrophobicContact CD2-CG1 4.12Å; L883-L947 HydrophobicContact CD1-CD1 4.24Å; L883-L947 HydrophobicContact CD1-CD2 4.06Å; L883-L947 HydrophobicContact CD2-CD1 3.87Å; L883-I959 HydrophobicContact CD1-CG2 3.77Å; L883-I959 HydrophobicContact CG-CG2 3.76Å; L883-C960 PolarHBondContact N-O 3.28Å; L883-L961 HydrophobicContact CB-CD2 3.91Å; L883-L961 HydrophobicContact CD1-CD2 3.63Å; L883-L961 HydrophobicContact CG-CD2 4.01Å; L883-A962 PolarHBondContact O-N 3.18Å; L883-F964 HydrophobicContact CB-CB 4.17Å; L883-F964 HydrophobicContact CB-CD1 4.31Å; L883-F964 HydrophobicContact CB-CD2 3.62Å; L883-F964 HydrophobicContact CB-CE2 4.04Å; L883-F964 HydrophobicContact CB-CG 3.77Å; L883-F964 HydrophobicContact CD1-CD1 4.49Å; L883-F964 HydrophobicContact CD1-CE1 4.3Å; L883-F964 HydrophobicContact CD1-CZ 4.39Å
884	I	95.9	Very high	89.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.3	-175.1	59.8	166.8	0	0	0	113.2	V882 M891 V910 I911 S912 N913 A962	V882-I884 HydrophobicContact CG1-CG2 4.13Å; I884-M891 HydrophobicContact CG2-CB 3.9Å; I884-M891 HydrophobicContact CG2-CG 4.4Å; I884-V910 HydrophobicContact CD1-CG1 3.77Å; I884-V910 HydrophobicContact CG1-CG1 4Å; I884-I911 PolarHBondContact N-O 3.07Å; I884-S912 WeakPolarHBondContact O-CA 3.33Å; I884-S912 PolarHBondContact O-OG 3.46Å; I884-N913 PolarHBondContact O-N 3.17Å; I884-N913 PolarHBondContact O-OD1 3.45Å; I884-A962 HydrophobicContact CG2-CB 4.11Å
885	S	92.6	Very high	92.1	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.028	16%	0.155	C	C	.	.	S	Bend	trans	-132.1	12.3	172.4	-59.4	0	0	0	0	114.9	N913 K914 G963 F964 M965	S885-N913 WeakPolarHBondContact CA-OD1 3.22Å; S885-N913 VanDerWaalsContact CB-OD1 3.27Å; S885-N913 WeakPolarHBondContact CB-OD1 3.38Å; S885-N913 PolarHBondContact OG-ND2 3.38Å; S885-N913 PolarHBondContact OG-OD1 2.87Å; S885-K914 WeakPolarHBondContact O-CD 3.39Å; S885-K914 WeakPolarHBondContact O-CE 3.42Å; S885-K914 PolarHBondContact O-NZ 3.33Å; S885-G963 WeakPolarHBondContact CB-O 3.32Å; S885-G963 PolarHBondContact N-O 3.45Å; S885-G963 VanDerWaalsContact N-O 3.08Å; S885-F964 WeakPolarHBondContact OG-CA 3Å; S885-M965 PolarHBondContact OG-N 2.88Å
886	G	89	Confident	93.6	Very high	30 Å²	30	29.7 Å²	29.7	31%	0.309	16%	0.155	S	C	.	.	S	Bend	trans	-163.2	-135.5	-170.5	0	0	0	0	0	115.1	G888 G919	G886-G888 VanDerWaalsContact C-N 3.26Å; G886-G888 PolarHBondContact O-N 2.83Å; G886-G919 PolarHBondContact O-N 2.87Å
887	E	87.2	Confident	94.3	Very high	111 Å²	111	24 Å²	24	52%	0.519	13%	0.134	S	C	.	.			trans	-67.3	-19	-169.7	-60.4	-177.4	147.6	0	0	115.4	T889 K922 K1060	E887-T889 HydrophobicContact CB-CG2 4.3Å; E887-T889 PolarHBondContact O-N 3.01Å; E887-K922 WeakPolarHBondContact O-CD 3.5Å; E887-K922 WeakPolarHBondContact O-CE 3.14Å; E887-K922 PolarHBondContact O-NZ 2.71Å; E887-K1060 IonicContact OE2-NZ 3.9Å
888	G	90.2	Very high	94.5	Very high	6 Å²	6	21.5 Å²	21.5	6%	0.062	12%	0.123	C	C	.	.			trans	69.5	23.9	177.5	0	0	0	0	0	115.6	G886 M891 V892	G886-G888 VanDerWaalsContact C-N 3.26Å; G886-G888 PolarHBondContact O-N 2.83Å; G888-M891 WeakPolarHBondContact O-CA 3.14Å; G888-M891 WeakPolarHBondContact O-CB 3.31Å; G888-M891 PolarHBondContact O-N 3.19Å; G888-M891 VanDerWaalsContact O-N 3.1Å; G888-V892 WeakPolarHBondContact O-CG2 3.47Å; G888-V892 PolarHBondContact O-N 3.03Å
889	T	93.7	Very high	94.3	Very high	33 Å²	33	23.4 Å²	23.4	20%	0.202	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-48.1	-179.9	54.8	0	0	0	0	112.3	E887 M891 V892 A893 H1064	E887-T889 HydrophobicContact CB-CG2 4.3Å; E887-T889 PolarHBondContact O-N 3.01Å; T889-M891 VanDerWaalsContact C-N 3.26Å; T889-M891 PolarHBondContact O-N 2.99Å; T889-V892 PolarHBondContact O-N 3.01Å; T889-V892 VanDerWaalsContact O-N 3.15Å; T889-A893 PolarHBondContact O-N 3.19Å; T889-H1064 WeakPolarHBondContact CB-NE2 3.38Å; T889-H1064 PolarHBondContact OG1-NE2 2.9Å
890	N	95.3	Very high	93.6	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.064	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-30.5	172.5	-78.8	-35.6	0	0	0	113.1	L894 A962 E1063 H1064 Y1067	N890-L894 VanDerWaalsContact O-CG 3.32Å; N890-L894 WeakPolarHBondContact O-CG 3.39Å; N890-L894 PolarHBondContact O-N 3.01Å; N890-L894 VanDerWaalsContact O-N 3.08Å; N890-A962 HydrophobicContact CB-CB 3.92Å; N890-E1063 PolarHBondContact ND2-OE2 2.88Å; N890-E1063 WeakPolarHBondContact OD1-CB 3.37Å; N890-H1064 PolarHBondContact OD1-CD2 2.91Å; N890-H1064 VanDerWaalsContact OD1-CD2 3.26Å; N890-Y1067 HydrophobicContact CB-CD1 4.19Å
891	M	96.6	Very high	92	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.1	-43.1	173	176	-78.5	-61.8	0	0	111.3	V882 I884 G888 T889 A893 L894 V895 V910 G919 K922 A923	V882-M891 HydrophobicContact CB-CG 4.1Å; V882-M891 HydrophobicContact CG1-CB 3.8Å; V882-M891 HydrophobicContact CG1-CG 3.83Å; I884-M891 HydrophobicContact CG2-CB 3.9Å; I884-M891 HydrophobicContact CG2-CG 4.4Å; G888-M891 WeakPolarHBondContact O-CA 3.14Å; G888-M891 WeakPolarHBondContact O-CB 3.31Å; G888-M891 PolarHBondContact O-N 3.19Å; G888-M891 VanDerWaalsContact O-N 3.1Å; T889-M891 VanDerWaalsContact C-N 3.26Å; T889-M891 PolarHBondContact O-N 2.99Å; M891-A893 VanDerWaalsContact C-N 3.29Å; M891-A893 PolarHBondContact O-N 3.36Å; M891-L894 PolarHBondContact O-N 2.92Å; M891-V895 HydrophobicContact CG-CG2 4.33Å; M891-V895 WeakPolarHBondContact O-CG2 3.37Å; M891-V895 PolarHBondContact O-N 2.68Å; M891-V895 HydrophobicContact SD-CG2 3.66Å; M891-V910 HydrophobicContact CG-CG1 4.15Å; M891-V910 HydrophobicContact CG-CG2 3.83Å; M891-V910 HydrophobicContact SD-CG2 3.98Å; M891-G919 WeakPolarHBondContact CE-O 3.43Å; M891-K922 HydrophobicContact CE-CB 4.11Å; M891-A923 HydrophobicContact CE-CB 3.95Å; M891-A923 HydrophobicContact SD-CB 4.18Å
892	V	96.4	Very high	90.7	Very high	43 Å²	43	34.5 Å²	34.5	26%	0.261	19%	0.187	S	C	.	.	H	α-helix	trans	-60.1	-40.2	175.1	172.4	0	0	0	0	111.1	G888 T889 S896 K922 M926	G888-V892 WeakPolarHBondContact O-CG2 3.47Å; G888-V892 PolarHBondContact O-N 3.03Å; T889-V892 PolarHBondContact O-N 3.01Å; T889-V892 VanDerWaalsContact O-N 3.15Å; V892-S896 VanDerWaalsContact O-CB 3.23Å; V892-S896 WeakPolarHBondContact O-CB 3.37Å; V892-S896 PolarHBondContact O-N 2.93Å; V892-S896 PolarHBondContact O-OG 2.76Å; V892-K922 HydrophobicContact CG2-CB 4.2Å; V892-K922 HydrophobicContact CG2-CD 3.98Å; V892-M926 HydrophobicContact CB-SD 4.25Å; V892-M926 HydrophobicContact CG1-CE 4.09Å; V892-M926 HydrophobicContact CG1-SD 4.05Å; V892-M926 HydrophobicContact CG2-SD 3.95Å
893	A	95.9	Very high	90	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-49.7	173.8	0	0	0	0	0	112.1	T889 M891 V895 S896 Y897 H1064 P1068	T889-A893 PolarHBondContact O-N 3.19Å; M891-A893 VanDerWaalsContact C-N 3.29Å; M891-A893 PolarHBondContact O-N 3.36Å; A893-V895 PolarHBondContact O-N 3.27Å; A893-S896 PolarHBondContact O-N 2.69Å; A893-Y897 WeakPolarHBondContact O-CB 3.44Å; A893-Y897 PolarHBondContact O-N 2.95Å; A893-H1064 HydrophobicContact CB-CB 3.88Å; A893-P1068 HydrophobicContact CB-CG 4.14Å
894	L	96.9	Very high	89.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.7	-47.4	176.8	-72.4	168.1	0	0	0	112.5	V882 N890 M891 Y897 S898 Y905 V907 C960 A962 Y1067 P1068 V1071	V882-L894 HydrophobicContact CG1-CD1 4.01Å; V882-L894 HydrophobicContact CG2-CB 4.47Å; V882-L894 HydrophobicContact CG2-CD1 3.96Å; N890-L894 VanDerWaalsContact O-CG 3.32Å; N890-L894 WeakPolarHBondContact O-CG 3.39Å; N890-L894 PolarHBondContact O-N 3.01Å; N890-L894 VanDerWaalsContact O-N 3.08Å; M891-L894 PolarHBondContact O-N 2.92Å; L894-Y897 PolarHBondContact O-N 2.85Å; L894-S898 WeakPolarHBondContact O-CB 3.25Å; L894-S898 PolarHBondContact O-N 3.34Å; L894-Y905 HydrophobicContact CD2-CE2 4.45Å; L894-Y905 PolarHBondContact O-OH 2.72Å; L894-V907 HydrophobicContact CB-CG2 4.48Å; L894-C960 HydrophobicContact CD1-CB 3.81Å; L894-A962 HydrophobicContact CD1-CB 4.43Å; L894-Y1067 HydrophobicContact CD1-CD1 4.03Å; L894-Y1067 HydrophobicContact CD1-CE1 3.87Å; L894-Y1067 HydrophobicContact CD2-CD1 4.5Å; L894-Y1067 HydrophobicContact CD2-CD2 4.31Å; L894-Y1067 HydrophobicContact CD2-CG 4.23Å; L894-Y1067 HydrophobicContact CG-CD1 4.35Å; L894-P1068 HydrophobicContact CD2-CB 4.33Å; L894-P1068 HydrophobicContact CD2-CG 4.24Å; L894-V1071 HydrophobicContact CD2-CB 4.24Å; L894-V1071 HydrophobicContact CD2-CG2 3.85Å
895	V	96.3	Very high	89.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.7	-42.1	178.8	176.4	0	0	0	0	111	M891 A893 Y897 S898 K899 V907 M926 I928	M891-V895 HydrophobicContact CG-CG2 4.33Å; M891-V895 WeakPolarHBondContact O-CG2 3.37Å; M891-V895 PolarHBondContact O-N 2.68Å; M891-V895 HydrophobicContact SD-CG2 3.66Å; A893-V895 PolarHBondContact O-N 3.27Å; V895-Y897 VanDerWaalsContact C-N 3.32Å; V895-Y897 PolarHBondContact O-N 2.73Å; V895-S898 WeakPolarHBondContact CA-OG 3.35Å; V895-S898 PolarHBondContact O-N 2.99Å; V895-S898 PolarHBondContact O-OG 3.47Å; V895-K899 WeakPolarHBondContact O-CG 3.48Å; V895-K899 PolarHBondContact O-N 2.86Å; V895-V907 HydrophobicContact CG2-CB 3.94Å; V895-V907 HydrophobicContact CG2-CG1 3.77Å; V895-V907 HydrophobicContact CG2-CG2 4.22Å; V895-M926 HydrophobicContact CB-CE 3.78Å; V895-M926 HydrophobicContact CB-SD 4.15Å; V895-M926 HydrophobicContact CG1-CB 4.13Å; V895-M926 HydrophobicContact CG1-CE 3.55Å; V895-M926 HydrophobicContact CG1-SD 4.02Å; V895-I928 HydrophobicContact CG1-CD1 4.05Å; V895-I928 HydrophobicContact CG1-CG1 3.68Å; V895-I928 HydrophobicContact CG2-CG1 4.1Å
896	S	93.5	Very high	89.6	Confident	56 Å²	56	38.3 Å²	38.3	39%	0.392	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-36.5	179.6	-57.5	0	0	0	0	112.3	V892 A893 M926	V892-S896 VanDerWaalsContact O-CB 3.23Å; V892-S896 WeakPolarHBondContact O-CB 3.37Å; V892-S896 PolarHBondContact O-N 2.93Å; V892-S896 PolarHBondContact O-OG 2.76Å; A893-S896 PolarHBondContact O-N 2.69Å; S896-M926 VanDerWaalsContact OG-CE 3.3Å; S896-M926 WeakPolarHBondContact OG-CE 3.17Å
897	Y	92.7	Very high	89.9	Confident	36 Å²	36	37 Å²	37	14%	0.141	19%	0.194	C	C	.	.	H	α-helix	trans	-70.9	-43.8	173	-167.5	-80.2	0	0	0	111.7	A893 L894 V895 K899 Q900 S903 Y905 P1068 N1069 D1072	A893-Y897 WeakPolarHBondContact O-CB 3.44Å; A893-Y897 PolarHBondContact O-N 2.95Å; L894-Y897 PolarHBondContact O-N 2.85Å; V895-Y897 VanDerWaalsContact C-N 3.32Å; V895-Y897 PolarHBondContact O-N 2.73Å; Y897-K899 PolarHBondContact O-N 3.31Å; Y897-K899 VanDerWaalsContact O-N 3.13Å; Y897-Q900 VanDerWaalsContact O-CB 3.25Å; Y897-Q900 WeakPolarHBondContact O-CB 3.23Å; Y897-Q900 WeakPolarHBondContact O-CG 3.22Å; Y897-Q900 PolarHBondContact O-N 2.97Å; Y897-S903 VanDerWaalsContact O-CB 3.31Å; Y897-S903 WeakPolarHBondContact O-CB 3.34Å; Y897-Y905 AromaticContact CD1-CE1 3.83Å; Y897-Y905 HydrophobicContact CD1-CE1 3.83Å; Y897-Y905 AromaticContact CD1-CZ 3.94Å; Y897-Y905 HydrophobicContact CE1-CE1 4.13Å; Y897-P1068 VanDerWaalsContact CB-CB 3.49Å; Y897-P1068 HydrophobicContact CD1-CB 4.02Å; Y897-P1068 HydrophobicContact CD2-CB 3.52Å; Y897-P1068 HydrophobicContact CE2-CB 4.17Å; Y897-P1068 HydrophobicContact CG-CB 3.41Å; Y897-P1068 VanDerWaalsContact CG-CB 3.41Å; Y897-N1069 PolarHBondContact OH-OD1 3.35Å; Y897-D1072 HydrophobicContact CE1-CB 3.9Å
898	S	92.5	Very high	90.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-29.5	-178.7	75.8	0	0	0	0	113.8	K877 L894 V895 Q900	K877-S898 PolarHBondContact NZ-O 3.45Å; L894-S898 WeakPolarHBondContact O-CB 3.25Å; L894-S898 PolarHBondContact O-N 3.34Å; V895-S898 WeakPolarHBondContact CA-OG 3.35Å; V895-S898 PolarHBondContact O-N 2.99Å; V895-S898 PolarHBondContact O-OG 3.47Å; S898-Q900 VanDerWaalsContact C-N 3.28Å; S898-Q900 PolarHBondContact O-N 3.38Å
899	K	88.9	Confident	90.8	Very high	118 Å²	118	32.8 Å²	32.8	51%	0.513	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-13.3	174.9	-71.4	-179.4	177.8	-169.5	0	114.5	V895 Y897 M926	V895-K899 WeakPolarHBondContact O-CG 3.48Å; V895-K899 PolarHBondContact O-N 2.86Å; Y897-K899 PolarHBondContact O-N 3.31Å; Y897-K899 VanDerWaalsContact O-N 3.13Å; K899-M926 PolarHBondContact NZ-O 3.31Å
900	Q	81.1	Confident	91	Very high	90 Å²	90	31.2 Å²	31.2	42%	0.421	17%	0.166	S	C	.	.	S	Bend	trans	-74	144.7	174.9	-55.5	179	15.4	0	0	110.1	K877 Y897 S898 C902 S903	K877-Q900 PolarHBondContact NZ-O 3.42Å; Y897-Q900 VanDerWaalsContact O-CB 3.25Å; Y897-Q900 WeakPolarHBondContact O-CB 3.23Å; Y897-Q900 WeakPolarHBondContact O-CG 3.22Å; Y897-Q900 PolarHBondContact O-N 2.97Å; S898-Q900 VanDerWaalsContact C-N 3.28Å; S898-Q900 PolarHBondContact O-N 3.38Å; Q900-C902 PolarHBondContact O-N 3.25Å; Q900-C902 PolarHBondContact OE1-SG 3.43Å; Q900-S903 PolarHBondContact O-N 3.14Å; Q900-S903 VanDerWaalsContact O-N 3.09Å
901	H	64	Low	91	Very high	123 Å²	123	30.7 Å²	30.7	57%	0.569	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.6	178.6	-102.2	-89.7	0	0	0	113.1	N709 S903	N709-H901 PolarHBondContact ND2-CD2 3.4Å; N709-H901 VanDerWaalsContact ND2-CD2 3.29Å; H901-S903 VanDerWaalsContact C-N 3.25Å; H901-S903 PolarHBondContact O-N 3.37Å
902	C	70.9	Confident	90.9	Very high	47 Å²	47	30.7 Å²	30.7	32%	0.318	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.6	174.9	58.4	0	0	0	0	113.9	Q900 R1076	Q900-C902 PolarHBondContact O-N 3.25Å; Q900-C902 PolarHBondContact OE1-SG 3.43Å; C902-R1076 PolarHBondContact O-NH2 2.91Å
903	S	83.3	Confident	90.7	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.028	15%	0.153	C	C	.	.			trans	-75	131.3	177	-177.3	0	0	0	0	111.7	K877 Y897 Q900 H901 Y905 D1072	K877-S903 WeakPolarHBondContact CD-O 3.39Å; K877-S903 WeakPolarHBondContact CE-O 3.31Å; K877-S903 PolarHBondContact NZ-O 3.03Å; Y897-S903 VanDerWaalsContact O-CB 3.31Å; Y897-S903 WeakPolarHBondContact O-CB 3.34Å; Q900-S903 PolarHBondContact O-N 3.14Å; Q900-S903 VanDerWaalsContact O-N 3.09Å; H901-S903 VanDerWaalsContact C-N 3.25Å; H901-S903 PolarHBondContact O-N 3.37Å; S903-Y905 VanDerWaalsContact C-N 3.3Å; S903-Y905 VanDerWaalsContact OG-CD1 3.27Å; S903-Y905 WeakPolarHBondContact OG-CD1 3.42Å; S903-Y905 WeakPolarHBondContact OG-CE1 3.38Å; S903-Y905 PolarHBondContact OG-N 2.89Å; S903-Y905 PolarHBondContact OG-O 3.44Å; S903-D1072 WeakPolarHBondContact CA-OD1 3.49Å
904	S	88.2	Confident	90.5	Very high	18 Å²	18	33.8 Å²	33.8	13%	0.126	17%	0.171	C	C	.	.	S	Bend	trans	-83.9	1.4	174.4	63.6	0	0	0	0	114.1	K877 K878 D1072 A1075 R1076	K877-S904 CarbonylContact C-O 3.59Å; K877-S904 VanDerWaalsContact CA-O 3.28Å; K877-S904 WeakPolarHBondContact CA-O 3.49Å; K878-S904 PolarHBondContact N-O 3.37Å; S904-D1072 WeakPolarHBondContact CB-OD1 3.23Å; S904-D1072 PolarHBondContact N-OD1 2.76Å; S904-D1072 PolarHBondContact OG-O 3.07Å; S904-D1072 VanDerWaalsContact OG-O 3.1Å; S904-D1072 PolarHBondContact OG-OD1 3.43Å; S904-A1075 VanDerWaalsContact OG-CB 3.3Å; S904-A1075 WeakPolarHBondContact OG-CB 3.37Å; S904-R1076 WeakPolarHBondContact OG-CG 3.41Å
905	Y	93.7	Very high	90.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156.6	176.3	68.5	-85.9	0	0	0	111.9	K878 V880 L894 Y897 S903 V907 P1068 V1071 D1072 A1075	K878-Y905 CarbonylContact O-C 3.55Å; K878-Y905 WeakPolarHBondContact O-CA 3.28Å; K878-Y905 WeakPolarHBondContact O-CB 3.27Å; V880-Y905 HydrophobicContact CB-CD2 4.16Å; V880-Y905 HydrophobicContact CG2-CD2 3.78Å; V880-Y905 HydrophobicContact CG2-CG 4Å; L894-Y905 HydrophobicContact CD2-CE2 4.45Å; L894-Y905 PolarHBondContact O-OH 2.72Å; Y897-Y905 AromaticContact CD1-CE1 3.83Å; Y897-Y905 HydrophobicContact CD1-CE1 3.83Å; Y897-Y905 AromaticContact CD1-CZ 3.94Å; Y897-Y905 HydrophobicContact CE1-CE1 4.13Å; S903-Y905 VanDerWaalsContact C-N 3.3Å; S903-Y905 VanDerWaalsContact OG-CD1 3.27Å; S903-Y905 WeakPolarHBondContact OG-CD1 3.42Å; S903-Y905 WeakPolarHBondContact OG-CE1 3.38Å; S903-Y905 PolarHBondContact OG-N 2.89Å; S903-Y905 PolarHBondContact OG-O 3.44Å; Y905-V907 HydrophobicContact CD2-CG2 4.11Å; Y905-V907 HydrophobicContact CE2-CG2 3.92Å; Y905-P1068 WeakPolarHBondContact OH-CA 3.28Å; Y905-P1068 WeakPolarHBondContact OH-CB 3.49Å; Y905-V1071 HydrophobicContact CD1-CB 4.49Å; Y905-V1071 HydrophobicContact CD1-CG1 3.82Å; Y905-V1071 HydrophobicContact CD2-CG1 4.13Å; Y905-V1071 HydrophobicContact CE1-CB 4.07Å; Y905-V1071 HydrophobicContact CE1-CG1 3.81Å; Y905-V1071 HydrophobicContact CE2-CG1 4.11Å; Y905-V1071 HydrophobicContact CG-CG1 3.98Å; Y905-D1072 HydrophobicContact CD1-CB 4.29Å; Y905-D1072 HydrophobicContact CE1-CB 4.02Å; Y905-A1075 HydrophobicContact CD1-CB 4.43Å
906	D	94.4	Very high	89.9	Confident	63 Å²	63	47.7 Å²	47.7	34%	0.337	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.5	173.8	-161.2	5.2	0	0	0	109.6	K877 K878 V880 V908	K877-D906 HydrophobicContact CB-CB 4.18Å; K877-D906 HydrophobicContact CD-CB 4.14Å; K878-D906 PolarHBondContact O-N 3.31Å; V880-D906 PolarHBondContact N-O 3.5Å; D906-V908 PolarHBondContact O-N 3.27Å
907	V	96.9	Very high	89.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	100.8	-178	179.2	0	0	0	0	109	V880 V882 L894 V895 Y905 V910 I928	V880-V907 HydrophobicContact CB-CG2 4.36Å; V880-V907 HydrophobicContact CG1-CG2 4.14Å; V880-V907 CarbonylContact O-C 3.46Å; V880-V907 WeakPolarHBondContact O-CA 3.48Å; V882-V907 HydrophobicContact CG2-CG1 3.64Å; V882-V907 HydrophobicContact CG2-CG2 4.16Å; L894-V907 HydrophobicContact CB-CG2 4.48Å; V895-V907 HydrophobicContact CG2-CB 3.94Å; V895-V907 HydrophobicContact CG2-CG1 3.77Å; V895-V907 HydrophobicContact CG2-CG2 4.22Å; Y905-V907 HydrophobicContact CD2-CG2 4.11Å; Y905-V907 HydrophobicContact CE2-CG2 3.92Å; V907-V910 HydrophobicContact CG1-CG2 4.4Å; V907-I928 HydrophobicContact CG1-CG2 4.24Å; V907-I928 WeakPolarHBondContact O-CD1 3.42Å; V907-I928 WeakPolarHBondContact O-CG2 3.27Å
908	V	97.2	Very high	89.7	Confident	30 Å²	30	46.4 Å²	46.4	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-18.4	-173.8	-64.8	0	0	0	0	114.2	L879 V880 D906 P929 V956	L879-V908 HydrophobicContact CB-CG1 4.18Å; L879-V908 HydrophobicContact CB-CG2 4.02Å; L879-V908 HydrophobicContact CD1-CG1 4.28Å; L879-V908 HydrophobicContact CD2-CG1 3.81Å; L879-V908 HydrophobicContact CG-CG1 4.29Å; V880-V908 PolarHBondContact O-N 2.74Å; D906-V908 PolarHBondContact O-N 3.27Å; V908-P929 WeakPolarHBondContact O-CD 3.46Å; V908-V956 HydrophobicContact CG2-CG2 4.13Å
909	L	97.7	Very high	89.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	135.8	-173	-176.2	61.8	0	0	0	111.7	A881 V882 I911 P929 Q931 A950 Y954	A881-L909 CarbonylContact C-O 3.47Å; A881-L909 VanDerWaalsContact CA-O 3.23Å; A881-L909 WeakPolarHBondContact CA-O 3.21Å; A881-L909 HydrophobicContact CB-CB 4.16Å; V882-L909 PolarHBondContact N-O 2.89Å; L909-I911 HydrophobicContact CD1-CG1 4.35Å; L909-I911 HydrophobicContact CD2-CD1 3.7Å; L909-I911 HydrophobicContact CD2-CG1 3.89Å; L909-I911 HydrophobicContact CG-CD1 4.2Å; L909-I911 HydrophobicContact CG-CG1 3.81Å; L909-P929 HydrophobicContact CD1-CB 4.22Å; L909-Q931 HydrophobicContact CD1-CG 4.01Å; L909-A950 HydrophobicContact CD2-CB 4.37Å; L909-Y954 HydrophobicContact CB-CD1 4.15Å; L909-Y954 HydrophobicContact CB-CG 4.16Å; L909-Y954 HydrophobicContact CD1-CD1 4.27Å; L909-Y954 HydrophobicContact CD1-CD2 4.13Å; L909-Y954 HydrophobicContact CD1-CE1 4.12Å; L909-Y954 HydrophobicContact CD1-CE2 3.97Å; L909-Y954 HydrophobicContact CD1-CG 4.28Å; L909-Y954 HydrophobicContact CD2-CD2 3.74Å; L909-Y954 HydrophobicContact CD2-CE2 4.33Å; L909-Y954 HydrophobicContact CD2-CG 3.88Å; L909-Y954 HydrophobicContact CG-CD2 4.42Å; L909-Y954 HydrophobicContact CG-CG 4.33Å
910	V	97.7	Very high	90.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.3	167.5	-179.8	0	0	0	0	109	V882 I884 M891 V907 A923 I928 P929 A930 Q931	V882-V910 HydrophobicContact CB-CG2 4.43Å; V882-V910 WeakPolarHBondContact O-CA 3.42Å; I884-V910 HydrophobicContact CD1-CG1 3.77Å; I884-V910 HydrophobicContact CG1-CG1 4Å; M891-V910 HydrophobicContact CG-CG1 4.15Å; M891-V910 HydrophobicContact CG-CG2 3.83Å; M891-V910 HydrophobicContact SD-CG2 3.98Å; V907-V910 HydrophobicContact CG1-CG2 4.4Å; V910-A923 HydrophobicContact CB-CB 3.84Å; V910-A923 HydrophobicContact CG1-CB 4.1Å; V910-A923 HydrophobicContact CG2-CB 3.73Å; V910-I928 HydrophobicContact CG2-CG2 3.94Å; V910-P929 PolarHBondContact N-O 2.9Å; V910-A930 CarbonylContact O-C 3.55Å; V910-A930 VanDerWaalsContact O-CA 3.28Å; V910-A930 WeakPolarHBondContact O-CA 3.4Å; V910-Q931 PolarHBondContact O-N 2.78Å
911	I	96.2	Very high	90.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.5	177.7	-48.4	177.1	0	0	0	109.6	V882 L883 I884 L909 Q931 I933 L947 A950	V882-I911 PolarHBondContact O-N 3.34Å; L883-I911 WeakPolarHBondContact CA-O 3.31Å; L883-I911 HydrophobicContact CD2-CB 3.69Å; L883-I911 HydrophobicContact CD2-CD1 4.06Å; L883-I911 HydrophobicContact CD2-CG1 4.12Å; I884-I911 PolarHBondContact N-O 3.07Å; L909-I911 HydrophobicContact CD1-CG1 4.35Å; L909-I911 HydrophobicContact CD2-CD1 3.7Å; L909-I911 HydrophobicContact CD2-CG1 3.89Å; L909-I911 HydrophobicContact CG-CD1 4.2Å; L909-I911 HydrophobicContact CG-CG1 3.81Å; I911-Q931 WeakPolarHBondContact CA-O 3.38Å; I911-I933 HydrophobicContact CD1-CD1 4.31Å; I911-I933 HydrophobicContact CG2-CB 4.24Å; I911-I933 HydrophobicContact CG2-CD1 3.79Å; I911-I933 HydrophobicContact CG2-CG1 3.79Å; I911-L947 HydrophobicContact CB-CD1 4.48Å; I911-L947 HydrophobicContact CD1-CD1 3.61Å; I911-L947 HydrophobicContact CG2-CD1 4.13Å; I911-A950 HydrophobicContact CD1-CB 4.01Å
912	S	95.4	Very high	92.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142	172.7	-178.9	0	0	0	0	111.9	I884 K914 A917 Q931 F932 I933	I884-S912 WeakPolarHBondContact O-CA 3.33Å; I884-S912 PolarHBondContact O-OG 3.46Å; S912-K914 VanDerWaalsContact C-N 3.28Å; S912-K914 WeakPolarHBondContact CB-O 3.24Å; S912-K914 PolarHBondContact OG-N 2.84Å; S912-K914 PolarHBondContact OG-O 3.17Å; S912-A917 WeakPolarHBondContact OG-CB 3.35Å; S912-Q931 PolarHBondContact N-O 3.2Å; S912-F932 WeakPolarHBondContact O-CD2 3.44Å; S912-I933 PolarHBondContact O-N 2.84Å
913	N	91.4	Very high	93.3	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.053	19%	0.187	C	C	.	.	S	Bend	trans	-81.8	-4.4	167.1	70.2	-22.5	0	0	0	113.6	I884 S885 I933 F943 F964	I884-N913 PolarHBondContact O-N 3.17Å; I884-N913 PolarHBondContact O-OD1 3.45Å; S885-N913 WeakPolarHBondContact CA-OD1 3.22Å; S885-N913 VanDerWaalsContact CB-OD1 3.27Å; S885-N913 WeakPolarHBondContact CB-OD1 3.38Å; S885-N913 PolarHBondContact OG-ND2 3.38Å; S885-N913 PolarHBondContact OG-OD1 2.87Å; N913-I933 WeakPolarHBondContact CA-O 3.5Å; N913-F943 HydrophobicContact CB-CE2 4.31Å; N913-F943 HydrophobicContact CB-CZ 4.41Å; N913-F964 HydrophobicContact CB-CE2 3.87Å; N913-F964 HydrophobicContact CB-CZ 4.32Å
914	K	90.8	Very high	93.9	Very high	112 Å²	112	40.5 Å²	40.5	49%	0.487	21%	0.209	S	C	.	.	S	Bend	trans	-121.5	129	173.9	-62.9	-176.9	-166.9	159.6	0	110.8	S885 S912 D916 A917 F932	S885-K914 WeakPolarHBondContact O-CD 3.39Å; S885-K914 WeakPolarHBondContact O-CE 3.42Å; S885-K914 PolarHBondContact O-NZ 3.33Å; S912-K914 VanDerWaalsContact C-N 3.28Å; S912-K914 WeakPolarHBondContact CB-O 3.24Å; S912-K914 PolarHBondContact OG-N 2.84Å; S912-K914 PolarHBondContact OG-O 3.17Å; K914-D916 VanDerWaalsContact C-N 3.26Å; K914-D916 PolarHBondContact O-N 3.42Å; K914-A917 HydrophobicContact CB-CB 4.3Å; K914-A917 WeakPolarHBondContact O-CB 3.31Å; K914-A917 PolarHBondContact O-N 2.85Å; K914-F932 VanDerWaalsContact C-CD2 3.43Å
915	K	90.4	Very high	94.2	Very high	143 Å²	143	46.1 Å²	46.1	62%	0.622	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-38.1	-176.5	-169	-178.6	177.9	-174	0	112.7	F932	K915-F932 VanDerWaalsContact CA-CD2 3.42Å; K915-F932 HydrophobicContact CB-CD1 3.94Å; K915-F932 HydrophobicContact CB-CD2 3.99Å; K915-F932 HydrophobicContact CB-CE1 3.85Å; K915-F932 HydrophobicContact CB-CE2 3.9Å; K915-F932 HydrophobicContact CB-CG 4Å; K915-F932 HydrophobicContact CB-CZ 3.81Å; K915-F932 HydrophobicContact CD-CD1 4.49Å; K915-F932 HydrophobicContact CD-CE1 4.36Å; K915-F932 HydrophobicContact CG-CD1 3.9Å; K915-F932 HydrophobicContact CG-CE1 4.09Å; K915-F932 HydrophobicContact CG-CG 4.19Å
916	D	90.2	Very high	94.3	Very high	148 Å²	148	48 Å²	48	79%	0.791	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	22.3	-171.3	-42.1	-51.4	0	0	0	112.1	K914 A918	K914-D916 VanDerWaalsContact C-N 3.26Å; K914-D916 PolarHBondContact O-N 3.42Å; D916-A918 PolarHBondContact O-N 3.44Å
917	A	90.8	Very high	94.3	Very high	10 Å²	10	48 Å²	48	8%	0.083	26%	0.262	C	S	.	.			trans	-67.3	119.6	175.1	0	0	0	0	0	110.6	S912 K914 G919 L920	S912-A917 WeakPolarHBondContact OG-CB 3.35Å; K914-A917 HydrophobicContact CB-CB 4.3Å; K914-A917 WeakPolarHBondContact O-CB 3.31Å; K914-A917 PolarHBondContact O-N 2.85Å; A917-G919 PolarHBondContact O-N 3.21Å; A917-L920 HydrophobicContact CB-CG 4.49Å; A917-L920 WeakPolarHBondContact O-CB 3.49Å; A917-L920 PolarHBondContact O-N 3.2Å
918	A	92.7	Very high	94.2	Very high	55 Å²	55	48.8 Å²	48.8	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-56.9	-26.6	-178.4	0	0	0	0	0	113.8	D916 L920 A921 K922	D916-A918 PolarHBondContact O-N 3.44Å; A918-L920 PolarHBondContact O-N 2.93Å; A918-A921 PolarHBondContact O-N 2.81Å; A918-K922 PolarHBondContact O-N 3.01Å
919	G	93.1	Very high	94.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-26.6	172.6	0	0	0	0	0	114.5	G886 M891 A917 A921 A923	G886-G919 PolarHBondContact O-N 2.87Å; M891-G919 WeakPolarHBondContact CE-O 3.43Å; A917-G919 PolarHBondContact O-N 3.21Å; G919-A921 VanDerWaalsContact C-N 3.34Å; G919-A923 WeakPolarHBondContact O-CB 3.37Å; G919-A923 PolarHBondContact O-N 3.24Å
920	L	95.6	Very high	94.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-68.1	-32.3	175	-71.1	179.8	0	0	0	112.9	A917 A918 R924 A930 Q931 F932	A917-L920 HydrophobicContact CB-CG 4.49Å; A917-L920 WeakPolarHBondContact O-CB 3.49Å; A917-L920 PolarHBondContact O-N 3.2Å; A918-L920 PolarHBondContact O-N 2.93Å; L920-R924 WeakPolarHBondContact O-CG 3.11Å; L920-R924 PolarHBondContact O-NH1 3.23Å; L920-A930 HydrophobicContact CD2-CB 4Å; L920-Q931 VanDerWaalsContact CD2-O 3.32Å; L920-Q931 WeakPolarHBondContact CD2-O 3.37Å; L920-F932 HydrophobicContact CD1-CB 4.22Å
921	A	93.8	Very high	93.9	Very high	48 Å²	48	53 Å²	53	40%	0.397	29%	0.29	S	S	.	.	H	α-helix	trans	-69.9	-53.3	174.3	0	0	0	0	0	109.7	A918 G919 A923 R924 D925	A918-A921 PolarHBondContact O-N 2.81Å; G919-A921 VanDerWaalsContact C-N 3.34Å; A921-A923 VanDerWaalsContact C-N 3.26Å; A921-A923 PolarHBondContact O-N 2.95Å; A921-R924 WeakPolarHBondContact O-CA 3.46Å; A921-R924 WeakPolarHBondContact O-CB 3.45Å; A921-R924 PolarHBondContact O-N 2.78Å; A921-D925 VanDerWaalsContact O-CG 3.31Å; A921-D925 PolarHBondContact O-N 2.95Å
922	K	95.7	Very high	93.8	Very high	75 Å²	75	57 Å²	57	33%	0.326	31%	0.308	S	S	.	.	H	α-helix	trans	-53.3	-40.7	178	-63.2	178.3	-174.9	173.3	0	113	E887 M891 V892 A918 R924 D925 M926	E887-K922 WeakPolarHBondContact O-CD 3.5Å; E887-K922 WeakPolarHBondContact O-CE 3.14Å; E887-K922 PolarHBondContact O-NZ 2.71Å; M891-K922 HydrophobicContact CE-CB 4.11Å; V892-K922 HydrophobicContact CG2-CB 4.2Å; V892-K922 HydrophobicContact CG2-CD 3.98Å; A918-K922 PolarHBondContact O-N 3.01Å; K922-R924 PolarHBondContact O-N 3.08Å; K922-D925 PolarHBondContact O-N 3.31Å; K922-M926 WeakPolarHBondContact O-CB 3.47Å; K922-M926 VanDerWaalsContact O-CG 3.25Å; K922-M926 WeakPolarHBondContact O-CG 3.49Å; K922-M926 PolarHBondContact O-N 2.7Å
923	A	95	Very high	93.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-44.6	176.3	0	0	0	0	0	112.1	M891 V910 G919 A921 M926 G927 I928 A930	M891-A923 HydrophobicContact CE-CB 3.95Å; M891-A923 HydrophobicContact SD-CB 4.18Å; V910-A923 HydrophobicContact CB-CB 3.84Å; V910-A923 HydrophobicContact CG1-CB 4.1Å; V910-A923 HydrophobicContact CG2-CB 3.73Å; G919-A923 WeakPolarHBondContact O-CB 3.37Å; G919-A923 PolarHBondContact O-N 3.24Å; A921-A923 VanDerWaalsContact C-N 3.26Å; A921-A923 PolarHBondContact O-N 2.95Å; A923-M926 CarbonylContact O-C 3.6Å; A923-M926 PolarHBondContact O-N 2.9Å; A923-G927 PolarHBondContact O-N 2.58Å; A923-I928 CarbonylContact C-O 3.5Å; A923-I928 PolarHBondContact O-N 3.37Å; A923-A930 HydrophobicContact CB-CB 3.84Å
924	R	95.7	Very high	93.3	Very high	133 Å²	133	60 Å²	60	50%	0.502	33%	0.332	S	S	.	.	H	α-helix	trans	-67.9	-40	177	-63.3	177.8	-167.8	113	6.8	112.1	L920 A921 K922 M926 G927 A930	L920-R924 WeakPolarHBondContact O-CG 3.11Å; L920-R924 PolarHBondContact O-NH1 3.23Å; A921-R924 WeakPolarHBondContact O-CA 3.46Å; A921-R924 WeakPolarHBondContact O-CB 3.45Å; A921-R924 PolarHBondContact O-N 2.78Å; K922-R924 PolarHBondContact O-N 3.08Å; R924-M926 PolarHBondContact O-N 2.96Å; R924-G927 WeakPolarHBondContact O-CA 3.45Å; R924-G927 PolarHBondContact O-N 3.24Å; R924-A930 HydrophobicContact CG-CB 3.73Å; R924-A930 PolarHBondContact NH2-O 2.87Å
925	D	93.6	Very high	92.5	Very high	135 Å²	135	57.1 Å²	57.1	72%	0.722	33%	0.326	S	S	*	.	H	α-helix	trans	-62.9	-31.2	175.5	-57.5	-30.1	0	0	0	111.4	A921 K922 G927	A921-D925 VanDerWaalsContact O-CG 3.31Å; A921-D925 PolarHBondContact O-N 2.95Å; K922-D925 PolarHBondContact O-N 3.31Å; D925-G927 VanDerWaalsContact C-N 3.28Å; D925-G927 PolarHBondContact O-N 3.33Å
926	M	95.4	Very high	91.2	Very high	40 Å²	40	52.2 Å²	52.2	20%	0.197	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.6	171.4	-64.9	179	89.1	0	0	113.7	V892 V895 S896 K899 K922 A923 R924 I928	V892-M926 HydrophobicContact CB-SD 4.25Å; V892-M926 HydrophobicContact CG1-CE 4.09Å; V892-M926 HydrophobicContact CG1-SD 4.05Å; V892-M926 HydrophobicContact CG2-SD 3.95Å; V895-M926 HydrophobicContact CB-CE 3.78Å; V895-M926 HydrophobicContact CB-SD 4.15Å; V895-M926 HydrophobicContact CG1-CB 4.13Å; V895-M926 HydrophobicContact CG1-CE 3.55Å; V895-M926 HydrophobicContact CG1-SD 4.02Å; S896-M926 VanDerWaalsContact OG-CE 3.3Å; S896-M926 WeakPolarHBondContact OG-CE 3.17Å; K899-M926 PolarHBondContact NZ-O 3.31Å; K922-M926 WeakPolarHBondContact O-CB 3.47Å; K922-M926 VanDerWaalsContact O-CG 3.25Å; K922-M926 WeakPolarHBondContact O-CG 3.49Å; K922-M926 PolarHBondContact O-N 2.7Å; A923-M926 CarbonylContact O-C 3.6Å; A923-M926 PolarHBondContact O-N 2.9Å; R924-M926 PolarHBondContact O-N 2.96Å; M926-I928 HydrophobicContact CB-CG1 4.48Å
927	G	94	Very high	89.7	Confident	63 Å²	63	55.6 Å²	55.6	65%	0.649	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	12.4	178.7	0	0	0	0	0	115.5	A923 R924 D925	A923-G927 PolarHBondContact O-N 2.58Å; R924-G927 WeakPolarHBondContact O-CA 3.45Å; R924-G927 PolarHBondContact O-N 3.24Å; D925-G927 VanDerWaalsContact C-N 3.28Å; D925-G927 PolarHBondContact O-N 3.33Å
928	I	95.7	Very high	87.7	Confident	17 Å²	17	64.5 Å²	64.5	9%	0.087	35%	0.354	C	S	.	.			trans	-96.1	131.5	-178.8	-50	-49.6	0	0	0	110.6	V895 V907 V910 A923 M926 A930	V895-I928 HydrophobicContact CG1-CD1 4.05Å; V895-I928 HydrophobicContact CG1-CG1 3.68Å; V895-I928 HydrophobicContact CG2-CG1 4.1Å; V907-I928 HydrophobicContact CG1-CG2 4.24Å; V907-I928 WeakPolarHBondContact O-CD1 3.42Å; V907-I928 WeakPolarHBondContact O-CG2 3.27Å; V910-I928 HydrophobicContact CG2-CG2 3.94Å; A923-I928 CarbonylContact C-O 3.5Å; A923-I928 PolarHBondContact O-N 3.37Å; M926-I928 HydrophobicContact CB-CG1 4.48Å; I928-A930 PolarHBondContact O-N 3.33Å
929	P	96.2	Very high	86	Confident	51 Å²	51	63.4 Å²	63.4	33%	0.331	35%	0.349	S	S	.	.			trans	-51.3	127.6	171.2	-29.3	36.8	0	0	0	112.5	V908 L909 V910 Y954	V908-P929 WeakPolarHBondContact O-CD 3.46Å; L909-P929 HydrophobicContact CD1-CB 4.22Å; V910-P929 PolarHBondContact N-O 2.9Å; P929-Y954 HydrophobicContact CB-CE1 3.64Å; P929-Y954 HydrophobicContact CG-CE1 3.83Å
930	A	96.3	Very high	84.9	Confident	16 Å²	16	66.5 Å²	66.5	13%	0.132	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	109.8	-172.1	0	0	0	0	0	112.4	V910 L920 A923 R924 I928	V910-A930 CarbonylContact O-C 3.55Å; V910-A930 VanDerWaalsContact O-CA 3.28Å; V910-A930 WeakPolarHBondContact O-CA 3.4Å; L920-A930 HydrophobicContact CD2-CB 4Å; A923-A930 HydrophobicContact CB-CB 3.84Å; R924-A930 HydrophobicContact CG-CB 3.73Å; R924-A930 PolarHBondContact NH2-O 2.87Å; I928-A930 PolarHBondContact O-N 3.33Å
931	Q	94.9	Very high	83.8	Confident	51 Å²	51	70.7 Å²	70.7	24%	0.238	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	151.7	-175.7	-63.7	-170.4	7	0	0	112.9	L909 V910 I911 S912 L920	L909-Q931 HydrophobicContact CD1-CG 4.01Å; V910-Q931 PolarHBondContact O-N 2.78Å; I911-Q931 WeakPolarHBondContact CA-O 3.38Å; S912-Q931 PolarHBondContact N-O 3.2Å; L920-Q931 VanDerWaalsContact CD2-O 3.32Å; L920-Q931 WeakPolarHBondContact CD2-O 3.37Å
932	F	94	Very high	83.1	Confident	85 Å²	85	73 Å²	73	37%	0.373	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.6	168.7	161.4	-113.9	0	0	0	109	S912 K914 K915 L920 A934	S912-F932 WeakPolarHBondContact O-CD2 3.44Å; K914-F932 VanDerWaalsContact C-CD2 3.43Å; K915-F932 VanDerWaalsContact CA-CD2 3.42Å; K915-F932 HydrophobicContact CB-CD1 3.94Å; K915-F932 HydrophobicContact CB-CD2 3.99Å; K915-F932 HydrophobicContact CB-CE1 3.85Å; K915-F932 HydrophobicContact CB-CE2 3.9Å; K915-F932 HydrophobicContact CB-CG 4Å; K915-F932 HydrophobicContact CB-CZ 3.81Å; K915-F932 HydrophobicContact CD-CD1 4.49Å; K915-F932 HydrophobicContact CD-CE1 4.36Å; K915-F932 HydrophobicContact CG-CD1 3.9Å; K915-F932 HydrophobicContact CG-CE1 4.09Å; K915-F932 HydrophobicContact CG-CG 4.19Å; L920-F932 HydrophobicContact CD1-CB 4.22Å; F932-A934 HydrophobicContact CE1-CB 4.03Å; F932-A934 HydrophobicContact CE2-CB 4.2Å; F932-A934 VanDerWaalsContact CZ-CA 3.5Å; F932-A934 HydrophobicContact CZ-CB 3.5Å
933	I	90.6	Very high	82.6	Confident	17 Å²	17	69.6 Å²	69.6	9%	0.087	38%	0.378	C	S	.	.			trans	-122.3	116.5	173.1	-56.1	-178.4	0	0	0	106.8	I911 S912 N913 S935 F943 L947 A950	I911-I933 HydrophobicContact CD1-CD1 4.31Å; I911-I933 HydrophobicContact CG2-CB 4.24Å; I911-I933 HydrophobicContact CG2-CD1 3.79Å; I911-I933 HydrophobicContact CG2-CG1 3.79Å; S912-I933 PolarHBondContact O-N 2.84Å; N913-I933 WeakPolarHBondContact CA-O 3.5Å; I933-S935 PolarHBondContact O-N 2.95Å; I933-F943 HydrophobicContact CB-CD2 4.39Å; I933-F943 HydrophobicContact CB-CE2 4.03Å; I933-F943 HydrophobicContact CG2-CD2 3.68Å; I933-F943 HydrophobicContact CG2-CE2 3.8Å; I933-F943 WeakPolarHBondContact O-CE2 3.36Å; I933-L947 HydrophobicContact CD1-CB 4.47Å; I933-L947 HydrophobicContact CD1-CD1 4.3Å; I933-A950 HydrophobicContact CD1-CB 4.11Å
934	A	84.5	Confident	82.2	Confident	57 Å²	57	70 Å²	70	47%	0.471	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-68.3	127.6	-174.3	0	0	0	0	0	111.4	F932 S936 F943	F932-A934 HydrophobicContact CE1-CB 4.03Å; F932-A934 HydrophobicContact CE2-CB 4.2Å; F932-A934 VanDerWaalsContact CZ-CA 3.5Å; F932-A934 HydrophobicContact CZ-CB 3.5Å; A934-S936 PolarHBondContact O-N 3.07Å; A934-S936 VanDerWaalsContact O-N 3.15Å; A934-F943 WeakPolarHBondContact O-CD2 3.49Å
935	S	75.1	Confident	81.8	Confident	52 Å²	52	67.9 Å²	67.9	36%	0.364	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-62.1	120.1	167.7	52.8	0	0	0	0	109.5	I933 K937	I933-S935 PolarHBondContact O-N 2.95Å; S935-K937 PolarHBondContact O-N 2.75Å
936	S	62.4	Low	81.5	Confident	39 Å²	39	64 Å²	64	27%	0.273	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-74	123.7	-171.3	173.9	0	0	0	0	111.1	A934 K938 G939	A934-S936 PolarHBondContact O-N 3.07Å; A934-S936 VanDerWaalsContact O-N 3.15Å; S936-K938 PolarHBondContact O-N 3.34Å; S936-K938 WeakPolarHBondContact OG-CA 3.29Å; S936-K938 PolarHBondContact OG-N 3.2Å; S936-G939 WeakPolarHBondContact CB-O 3.34Å; S936-G939 PolarHBondContact OG-N 3.33Å; S936-G939 VanDerWaalsContact OG-N 3.15Å; S936-G939 PolarHBondContact OG-O 3.03Å; S936-G939 VanDerWaalsContact OG-O 3.12Å
937	K	58	Low	81.3	Confident	219 Å²	219	62 Å²	62	95%	0.952	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.9	163.6	-74.6	-170.4	176.1	-175.2	0	113	S935	S935-K937 PolarHBondContact O-N 2.75Å
938	K	49.9	Very low	81.1	Confident	197 Å²	197	60.5 Å²	60.5	86%	0.857	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-10.9	-174.5	-73.4	-173	171.1	-173.9	0	114.4	S936	S936-K938 PolarHBondContact O-N 3.34Å; S936-K938 WeakPolarHBondContact OG-CA 3.29Å; S936-K938 PolarHBondContact OG-N 3.2Å
939	G	57.2	Low	80.9	Confident	33 Å²	33	66.4 Å²	66.4	34%	0.34	36%	0.355	S	S	.	.			trans	148.3	140.6	179.5	0	0	0	0	0	111.8	S936 E941	S936-G939 WeakPolarHBondContact CB-O 3.34Å; S936-G939 PolarHBondContact OG-N 3.33Å; S936-G939 VanDerWaalsContact OG-N 3.15Å; S936-G939 PolarHBondContact OG-O 3.03Å; S936-G939 VanDerWaalsContact OG-O 3.12Å; G939-E941 PolarHBondContact O-N 3.27Å; G939-E941 VanDerWaalsContact O-N 3.16Å
940	T	69.3	Low	80.7	Confident	65 Å²	65	64.1 Å²	64.1	40%	0.399	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-26.1	-175.1	-30.7	0	0	0	0	113	F943 E944	T940-F943 WeakPolarHBondContact O-CB 3.34Å; T940-F943 PolarHBondContact O-N 2.92Å; T940-E944 HydrophobicContact CG2-CG 4.36Å; T940-E944 VanDerWaalsContact CG2-OE1 3.3Å; T940-E944 WeakPolarHBondContact CG2-OE1 3.41Å; T940-E944 WeakPolarHBondContact O-CG 3.46Å; T940-E944 PolarHBondContact O-N 2.77Å
941	E	73.6	Confident	80.5	Confident	91 Å²	91	63.4 Å²	63.4	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-64.2	-43.4	-175.3	-67.2	173.5	167.7	0	0	113.9	G939 F943 E944 N945 A983 G984	G939-E941 PolarHBondContact O-N 3.27Å; G939-E941 VanDerWaalsContact O-N 3.16Å; E941-F943 VanDerWaalsContact C-N 3.25Å; E941-F943 PolarHBondContact O-N 2.9Å; E941-E944 PolarHBondContact O-N 3.39Å; E941-N945 VanDerWaalsContact O-CB 3.27Å; E941-N945 WeakPolarHBondContact O-CB 3.35Å; E941-N945 VanDerWaalsContact O-CG 3.23Å; E941-N945 PolarHBondContact O-N 3.49Å; E941-N945 PolarHBondContact O-ND2 3.5Å; E941-N945 VanDerWaalsContact O-ND2 3.14Å; E941-A983 HydrophobicContact CG-CB 4.01Å; E941-A983 WeakPolarHBondContact OE1-CB 3.46Å; E941-A983 WeakPolarHBondContact OE2-CB 3.19Å; E941-G984 PolarHBondContact OE1-N 3.24Å
942	D	79.1	Confident	80.4	Confident	97 Å²	97	65.5 Å²	65.5	52%	0.519	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-39.4	177.6	-72.2	-23.8	0	0	0	111.3	S946	D942-S946 WeakPolarHBondContact O-CB 3.38Å; D942-S946 PolarHBondContact O-N 3.38Å; D942-S946 VanDerWaalsContact O-N 3.14Å; D942-S946 PolarHBondContact O-OG 2.95Å
943	F	84.6	Confident	80.3	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-66.5	-48.1	177	171.3	-101.5	0	0	0	111.1	N913 I933 A934 T940 E941 S946 L947 F964 Q966 L968	N913-F943 HydrophobicContact CB-CE2 4.31Å; N913-F943 HydrophobicContact CB-CZ 4.41Å; I933-F943 HydrophobicContact CB-CD2 4.39Å; I933-F943 HydrophobicContact CB-CE2 4.03Å; I933-F943 HydrophobicContact CG2-CD2 3.68Å; I933-F943 HydrophobicContact CG2-CE2 3.8Å; I933-F943 WeakPolarHBondContact O-CE2 3.36Å; A934-F943 WeakPolarHBondContact O-CD2 3.49Å; T940-F943 WeakPolarHBondContact O-CB 3.34Å; T940-F943 PolarHBondContact O-N 2.92Å; E941-F943 VanDerWaalsContact C-N 3.25Å; E941-F943 PolarHBondContact O-N 2.9Å; F943-S946 PolarHBondContact O-N 3.15Å; F943-L947 HydrophobicContact CE1-CD2 4.11Å; F943-L947 HydrophobicContact CZ-CD2 4.27Å; F943-L947 VanDerWaalsContact O-CB 3.31Å; F943-L947 WeakPolarHBondContact O-CB 3.44Å; F943-L947 PolarHBondContact O-N 3.4Å; F943-F964 HydrophobicContact CE1-CZ 4.19Å; F943-F964 AromaticContact CZ-CZ 3.83Å; F943-F964 HydrophobicContact CZ-CZ 3.83Å; F943-Q966 HydrophobicContact CE1-CG 4.33Å; F943-L968 HydrophobicContact CE1-CD2 4.27Å
944	E	86.2	Confident	80.5	Confident	8 Å²	8	70.4 Å²	70.4	4%	0.037	37%	0.372	C	S	.	.	H	α-helix	trans	-70.6	-33.4	-178.7	-73.7	176	-172.6	0	0	113.6	T940 E941 L947 Q948 L968 S969 F986	T940-E944 HydrophobicContact CG2-CG 4.36Å; T940-E944 VanDerWaalsContact CG2-OE1 3.3Å; T940-E944 WeakPolarHBondContact CG2-OE1 3.41Å; T940-E944 WeakPolarHBondContact O-CG 3.46Å; T940-E944 PolarHBondContact O-N 2.77Å; E941-E944 PolarHBondContact O-N 3.39Å; E944-L947 PolarHBondContact O-N 3.01Å; E944-Q948 WeakPolarHBondContact O-CB 3.4Å; E944-Q948 PolarHBondContact O-N 3.08Å; E944-L968 HydrophobicContact CG-CD2 4.44Å; E944-S969 VanDerWaalsContact OE1-CB 3.31Å; E944-S969 WeakPolarHBondContact OE1-CB 3.17Å; E944-S969 PolarHBondContact OE1-N 3.31Å; E944-S969 PolarHBondContact OE1-OG 2.8Å; E944-S969 WeakPolarHBondContact OE2-CB 3.35Å; E944-S969 PolarHBondContact OE2-OG 2.96Å; E944-F986 HydrophobicContact CB-CB 4.38Å; E944-F986 HydrophobicContact CB-CD2 4.06Å; E944-F986 HydrophobicContact CG-CB 4.17Å; E944-F986 HydrophobicContact CG-CD2 4.31Å; E944-F986 HydrophobicContact CG-CG 4.37Å; E944-F986 WeakPolarHBondContact OE2-CB 3.23Å
945	N	86.7	Confident	80.9	Confident	88 Å²	88	73.5 Å²	73.5	47%	0.471	38%	0.377	S	S	.	.	H	α-helix	trans	-66.7	-44.1	173	-74.4	-33.4	0	0	0	110.9	E941 Q948 Q949	E941-N945 VanDerWaalsContact O-CB 3.27Å; E941-N945 WeakPolarHBondContact O-CB 3.35Å; E941-N945 VanDerWaalsContact O-CG 3.23Å; E941-N945 PolarHBondContact O-N 3.49Å; E941-N945 PolarHBondContact O-ND2 3.5Å; E941-N945 VanDerWaalsContact O-ND2 3.14Å; N945-Q948 PolarHBondContact O-N 2.69Å; N945-Q949 WeakPolarHBondContact O-CB 3.43Å; N945-Q949 PolarHBondContact O-N 3.44Å
946	S	88.1	Confident	81.8	Confident	53 Å²	53	71.6 Å²	71.6	37%	0.371	36%	0.363	S	S	.	.	H	α-helix	trans	-62.2	-42.9	174.2	-56.7	0	0	0	0	111.6	D942 F943 Q949 A950	D942-S946 WeakPolarHBondContact O-CB 3.38Å; D942-S946 PolarHBondContact O-N 3.38Å; D942-S946 VanDerWaalsContact O-N 3.14Å; D942-S946 PolarHBondContact O-OG 2.95Å; F943-S946 PolarHBondContact O-N 3.15Å; S946-Q949 PolarHBondContact O-N 2.87Å; S946-A950 PolarHBondContact O-N 3.02Å; S946-A950 VanDerWaalsContact O-N 3.11Å
947	L	90.6	Very high	83.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-47.5	175.8	-174.2	66.6	0	0	0	111.2	L883 I911 I933 F943 E944 Q949 A950 L951 L968 F986	L883-L947 HydrophobicContact CD1-CD1 4.24Å; L883-L947 HydrophobicContact CD1-CD2 4.06Å; L883-L947 HydrophobicContact CD2-CD1 3.87Å; I911-L947 HydrophobicContact CB-CD1 4.48Å; I911-L947 HydrophobicContact CD1-CD1 3.61Å; I911-L947 HydrophobicContact CG2-CD1 4.13Å; I933-L947 HydrophobicContact CD1-CB 4.47Å; I933-L947 HydrophobicContact CD1-CD1 4.3Å; F943-L947 HydrophobicContact CE1-CD2 4.11Å; F943-L947 HydrophobicContact CZ-CD2 4.27Å; F943-L947 VanDerWaalsContact O-CB 3.31Å; F943-L947 WeakPolarHBondContact O-CB 3.44Å; F943-L947 PolarHBondContact O-N 3.4Å; E944-L947 PolarHBondContact O-N 3.01Å; L947-Q949 VanDerWaalsContact C-N 3.3Å; L947-Q949 PolarHBondContact O-N 3.36Å; L947-A950 PolarHBondContact O-N 3.46Å; L947-L951 HydrophobicContact CD1-CD1 4.45Å; L947-L951 HydrophobicContact CG-CD1 3.95Å; L947-L951 WeakPolarHBondContact O-CD1 3.11Å; L947-L951 WeakPolarHBondContact O-CG 3.49Å; L947-L951 PolarHBondContact O-N 3.23Å; L947-L968 HydrophobicContact CD2-CD2 3.93Å; L947-F986 HydrophobicContact CB-CE2 4.35Å; L947-F986 HydrophobicContact CD2-CE1 4.29Å; L947-F986 HydrophobicContact CD2-CE2 3.84Å; L947-F986 HydrophobicContact CD2-CZ 3.65Å; L947-F986 HydrophobicContact CG-CE2 4.07Å; L947-F986 HydrophobicContact CG-CZ 4.08Å
948	Q	90.7	Very high	85.2	Confident	30 Å²	30	62.3 Å²	62.3	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-37.6	177.1	-177.9	64.7	67.4	0	0	112.4	E944 N945 V952 F986	E944-Q948 WeakPolarHBondContact O-CB 3.4Å; E944-Q948 PolarHBondContact O-N 3.08Å; N945-Q948 PolarHBondContact O-N 2.69Å; Q948-V952 VanDerWaalsContact O-CG2 3.29Å; Q948-V952 WeakPolarHBondContact O-CG2 3.22Å; Q948-V952 PolarHBondContact O-N 3.03Å; Q948-V952 VanDerWaalsContact O-N 3.14Å; Q948-F986 HydrophobicContact CB-CE2 4.23Å
949	Q	90.7	Very high	87.4	Confident	142 Å²	142	53 Å²	53	66%	0.664	28%	0.278	S	S	*	.	H	α-helix	trans	-64.9	-50.1	177.2	-176.4	174.5	-5.5	0	0	111.3	N945 S946 L947 L951 V952 E953	N945-Q949 WeakPolarHBondContact O-CB 3.43Å; N945-Q949 PolarHBondContact O-N 3.44Å; S946-Q949 PolarHBondContact O-N 2.87Å; L947-Q949 VanDerWaalsContact C-N 3.3Å; L947-Q949 PolarHBondContact O-N 3.36Å; Q949-L951 VanDerWaalsContact C-N 3.31Å; Q949-L951 PolarHBondContact O-N 3.27Å; Q949-V952 PolarHBondContact O-N 3.5Å; Q949-V952 VanDerWaalsContact O-N 3.17Å; Q949-E953 PolarHBondContact O-N 2.85Å
950	A	91.7	Very high	89.4	Confident	3 Å²	3	51.4 Å²	51.4	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-38.1	177.7	0	0	0	0	0	112.6	L909 I911 I933 S946 L947 V952 E953 Y954	L909-A950 HydrophobicContact CD2-CB 4.37Å; I911-A950 HydrophobicContact CD1-CB 4.01Å; I933-A950 HydrophobicContact CD1-CB 4.11Å; S946-A950 PolarHBondContact O-N 3.02Å; S946-A950 VanDerWaalsContact O-N 3.11Å; L947-A950 PolarHBondContact O-N 3.46Å; A950-V952 VanDerWaalsContact C-N 3.34Å; A950-V952 PolarHBondContact O-N 2.88Å; A950-E953 PolarHBondContact O-N 3.19Å; A950-Y954 WeakPolarHBondContact O-CD2 3.14Å; A950-Y954 PolarHBondContact O-N 2.96Å
951	L	93.8	Very high	90.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-33.6	176.8	-67.8	163.9	0	0	0	112.9	A881 L947 Q949 V956 I959 F986 W990	A881-L951 HydrophobicContact CB-CD2 3.47Å; A881-L951 VanDerWaalsContact CB-CD2 3.47Å; L947-L951 HydrophobicContact CD1-CD1 4.45Å; L947-L951 HydrophobicContact CG-CD1 3.95Å; L947-L951 WeakPolarHBondContact O-CD1 3.11Å; L947-L951 WeakPolarHBondContact O-CG 3.49Å; L947-L951 PolarHBondContact O-N 3.23Å; Q949-L951 VanDerWaalsContact C-N 3.31Å; Q949-L951 PolarHBondContact O-N 3.27Å; L951-V956 HydrophobicContact CB-CB 4.35Å; L951-V956 HydrophobicContact CD2-CB 4.07Å; L951-V956 HydrophobicContact CD2-CG1 3.93Å; L951-V956 HydrophobicContact CD2-CG2 4.04Å; L951-V956 VanDerWaalsContact O-CB 3.31Å; L951-V956 WeakPolarHBondContact O-CB 3.43Å; L951-V956 WeakPolarHBondContact O-CG2 3.24Å; L951-V956 PolarHBondContact O-N 3.35Å; L951-I959 HydrophobicContact CD1-CD1 3.57Å; L951-I959 HydrophobicContact CD1-CG1 4.46Å; L951-I959 HydrophobicContact CD2-CD1 4.09Å; L951-I959 HydrophobicContact CD2-CG1 4.09Å; L951-I959 HydrophobicContact CG-CD1 4.47Å; L951-F986 HydrophobicContact CD1-CE2 4.12Å; L951-F986 HydrophobicContact CD1-CZ 3.67Å; L951-W990 HydrophobicContact CB-CH2 4.05Å; L951-W990 HydrophobicContact CB-CZ2 3.73Å; L951-W990 HydrophobicContact CD1-CZ2 3.87Å; L951-W990 HydrophobicContact CG-CZ2 4.34Å
952	V	91.3	Very high	91.6	Very high	96 Å²	96	44.9 Å²	44.9	58%	0.582	23%	0.228	S	C	*	.	H	α-helix	trans	-75.3	-39.1	176.2	169.6	0	0	0	0	111.4	Q948 Q949 A950 Y954 E955	Q948-V952 VanDerWaalsContact O-CG2 3.29Å; Q948-V952 WeakPolarHBondContact O-CG2 3.22Å; Q948-V952 PolarHBondContact O-N 3.03Å; Q948-V952 VanDerWaalsContact O-N 3.14Å; Q949-V952 PolarHBondContact O-N 3.5Å; Q949-V952 VanDerWaalsContact O-N 3.17Å; A950-V952 VanDerWaalsContact C-N 3.34Å; A950-V952 PolarHBondContact O-N 2.88Å; V952-Y954 VanDerWaalsContact C-N 3.25Å; V952-Y954 PolarHBondContact O-N 2.68Å; V952-E955 PolarHBondContact O-N 2.94Å
953	E	92.9	Very high	91.9	Very high	135 Å²	135	42 Å²	42	63%	0.631	22%	0.222	S	C	*	.	H	α-helix	trans	-58.6	-35.5	177.7	-176.9	-179.9	-172.7	0	0	112.6	Q949 A950	Q949-E953 PolarHBondContact O-N 2.85Å; A950-E953 PolarHBondContact O-N 3.19Å
954	Y	93.7	Very high	92.1	Very high	70 Å²	70	42.7 Å²	42.7	28%	0.275	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	17.3	179.7	-73.9	-102.8	0	0	0	113.9	L909 P929 A950 V952 V956	L909-Y954 HydrophobicContact CB-CD1 4.15Å; L909-Y954 HydrophobicContact CB-CG 4.16Å; L909-Y954 HydrophobicContact CD1-CD1 4.27Å; L909-Y954 HydrophobicContact CD1-CD2 4.13Å; L909-Y954 HydrophobicContact CD1-CE1 4.12Å; L909-Y954 HydrophobicContact CD1-CE2 3.97Å; L909-Y954 HydrophobicContact CD1-CG 4.28Å; L909-Y954 HydrophobicContact CD2-CD2 3.74Å; L909-Y954 HydrophobicContact CD2-CE2 4.33Å; L909-Y954 HydrophobicContact CD2-CG 3.88Å; L909-Y954 HydrophobicContact CG-CD2 4.42Å; L909-Y954 HydrophobicContact CG-CG 4.33Å; P929-Y954 HydrophobicContact CB-CE1 3.64Å; P929-Y954 HydrophobicContact CG-CE1 3.83Å; A950-Y954 WeakPolarHBondContact O-CD2 3.14Å; A950-Y954 PolarHBondContact O-N 2.96Å; V952-Y954 VanDerWaalsContact C-N 3.25Å; V952-Y954 PolarHBondContact O-N 2.68Å; Y954-V956 PolarHBondContact O-N 2.79Å; Y954-V956 VanDerWaalsContact O-N 3.13Å
955	E	93.4	Very high	91.9	Very high	122 Å²	122	48 Å²	48	57%	0.57	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	35.2	-178.7	-68	-165.4	167.9	0	0	114.3	R876 L879 V952 E957	R876-E955 IonicContact CZ-OE2 3.21Å; R876-E955 IonicContact NH1-OE2 2.79Å; R876-E955 PolarHBondContact NH1-OE2 2.85Å; R876-E955 IonicContact NH2-OE2 2.71Å; R876-E955 PolarHBondContact NH2-OE2 2.92Å; L879-E955 HydrophobicContact CD1-CB 3.83Å; V952-E955 PolarHBondContact O-N 2.94Å; E955-E957 PolarHBondContact O-N 2.97Å
956	V	94.3	Very high	91.8	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.067	24%	0.243	C	C	.	.			trans	-67.4	130.5	-170.3	178.9	0	0	0	0	111.4	A881 V908 L951 Y954 L958 I959 W990	A881-V956 HydrophobicContact CB-CB 4.41Å; A881-V956 HydrophobicContact CB-CG1 3.71Å; A881-V956 HydrophobicContact CB-CG2 3.84Å; V908-V956 HydrophobicContact CG2-CG2 4.13Å; L951-V956 HydrophobicContact CB-CB 4.35Å; L951-V956 HydrophobicContact CD2-CB 4.07Å; L951-V956 HydrophobicContact CD2-CG1 3.93Å; L951-V956 HydrophobicContact CD2-CG2 4.04Å; L951-V956 VanDerWaalsContact O-CB 3.31Å; L951-V956 WeakPolarHBondContact O-CB 3.43Å; L951-V956 WeakPolarHBondContact O-CG2 3.24Å; L951-V956 PolarHBondContact O-N 3.35Å; Y954-V956 PolarHBondContact O-N 2.79Å; Y954-V956 VanDerWaalsContact O-N 3.13Å; V956-L958 WeakPolarHBondContact CG1-O 3.48Å; V956-I959 HydrophobicContact CG1-CG1 4.35Å; V956-W990 HydrophobicContact CB-CH2 4.21Å; V956-W990 HydrophobicContact CG1-CH2 4.24Å; V956-W990 HydrophobicContact CG1-CZ3 4.31Å; V956-W990 VanDerWaalsContact O-CH2 3.24Å; V956-W990 WeakPolarHBondContact O-CH2 3.49Å; V956-W990 WeakPolarHBondContact O-CZ3 3.43Å
957	E	95.1	Very high	91.4	Very high	51 Å²	51	50 Å²	50	24%	0.238	25%	0.254	C	S	.	.			trans	-102.4	-29.3	179.8	-62.8	-176.3	81.8	0	0	112.7	K878 L879 E955 R993	K878-E957 WeakPolarHBondContact CA-OE2 3.35Å; K878-E957 HydrophobicContact CD-CB 4.31Å; K878-E957 VanDerWaalsContact CD-CD 3.45Å; K878-E957 VanDerWaalsContact CD-OE1 3.24Å; K878-E957 WeakPolarHBondContact CD-OE1 3.44Å; K878-E957 VanDerWaalsContact CD-OE2 3.29Å; K878-E957 WeakPolarHBondContact CD-OE2 3.25Å; K878-E957 IonicContact NZ-OE1 3.67Å; K878-E957 PolarHBondContact NZ-OE1 2.88Å; K878-E957 IonicContact NZ-OE2 3.63Å; L879-E957 PolarHBondContact N-OE2 3.43Å; L879-E957 PolarHBondContact O-N 2.79Å; E955-E957 PolarHBondContact O-N 2.97Å; E957-R993 VanDerWaalsContact O-CD 3.32Å; E957-R993 WeakPolarHBondContact O-CD 3.29Å
958	L	96.2	Very high	91	Very high	13 Å²	13	50.6 Å²	50.6	7%	0.068	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.8	-178.2	-73.6	174.7	0	0	0	111.3	K878 L879 V880 A881 V956 R993 V1074 A1075	K878-L958 HydrophobicContact CB-CD1 4.29Å; L879-L958 PolarHBondContact O-N 2.68Å; V880-L958 WeakPolarHBondContact CA-O 3.36Å; V880-L958 HydrophobicContact CG2-CB 3.86Å; A881-L958 PolarHBondContact N-O 3.22Å; V956-L958 WeakPolarHBondContact CG1-O 3.48Å; L958-R993 WeakPolarHBondContact CA-O 3.05Å; L958-R993 HydrophobicContact CD2-CB 4.03Å; L958-V1074 HydrophobicContact CD1-CG1 4.11Å; L958-V1074 HydrophobicContact CD2-CG1 3.9Å; L958-A1075 HydrophobicContact CD1-CB 3.92Å
959	I	97.3	Very high	90.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.9	179.5	-55.2	176.5	0	0	0	109.3	A881 L883 L951 V956 L961 F986 W990 R993 I994 V995	A881-I959 CarbonylContact O-C 3.54Å; A881-I959 WeakPolarHBondContact O-CA 3.42Å; L883-I959 HydrophobicContact CD1-CG2 3.77Å; L883-I959 HydrophobicContact CG-CG2 3.76Å; L951-I959 HydrophobicContact CD1-CD1 3.57Å; L951-I959 HydrophobicContact CD1-CG1 4.46Å; L951-I959 HydrophobicContact CD2-CD1 4.09Å; L951-I959 HydrophobicContact CD2-CG1 4.09Å; L951-I959 HydrophobicContact CG-CD1 4.47Å; V956-I959 HydrophobicContact CG1-CG1 4.35Å; I959-L961 HydrophobicContact CG2-CD2 4.15Å; I959-F986 HydrophobicContact CD1-CE1 4.28Å; I959-F986 HydrophobicContact CD1-CZ 4.11Å; I959-W990 HydrophobicContact CD1-CD2 3.5Å; I959-W990 HydrophobicContact CD1-CE3 3.6Å; I959-W990 HydrophobicContact CD1-CG 3.94Å; I959-W990 HydrophobicContact CD1-CH2 4.23Å; I959-W990 HydrophobicContact CD1-CZ2 4.15Å; I959-W990 HydrophobicContact CD1-CZ3 3.97Å; I959-W990 HydrophobicContact CG1-CD2 4.29Å; I959-W990 HydrophobicContact CG1-CE3 3.85Å; I959-W990 HydrophobicContact CG1-CH2 4.43Å; I959-W990 HydrophobicContact CG1-CZ3 3.94Å; I959-R993 PolarHBondContact N-O 3.09Å; I959-I994 HydrophobicContact CB-CG1 4.23Å; I959-I994 HydrophobicContact CB-CG2 4.44Å; I959-I994 HydrophobicContact CD1-CG1 4.24Å; I959-I994 HydrophobicContact CG2-CG2 4.45Å; I959-I994 CarbonylContact O-C 3.47Å; I959-I994 WeakPolarHBondContact O-CA 3.28Å; I959-V995 PolarHBondContact O-N 2.96Å
960	C	97.4	Very high	88.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.4	175.9	-62	0	0	0	0	110.3	V880 A881 V882 L883 L894 A962 V995 Y1067 V1071	V880-C960 HydrophobicContact CG1-CB 4.35Å; A881-C960 PolarHBondContact O-N 2.98Å; V882-C960 CarbonylContact C-O 3.4Å; V882-C960 WeakPolarHBondContact CA-O 3.47Å; V882-C960 HydrophobicContact CG1-CB 4.49Å; V882-C960 HydrophobicContact CG2-CB 4.24Å; L883-C960 PolarHBondContact N-O 3.28Å; L894-C960 HydrophobicContact CD1-CB 3.81Å; C960-A962 PolarHBondContact O-N 2.88Å; C960-V995 CarbonylContact C-O 3.48Å; C960-V995 WeakPolarHBondContact CA-O 3.35Å; C960-Y1067 WeakPolarHBondContact CA-OH 3.47Å; C960-Y1067 HydrophobicContact CB-CE2 4.42Å; C960-Y1067 WeakPolarHBondContact CB-OH 3.08Å; C960-V1071 WeakPolarHBondContact SG-CG2 3.43Å
961	L	95.7	Very high	86.6	Confident	14 Å²	14	48.4 Å²	48.4	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	109	172.6	-53.5	-172.1	0	0	0	109	L883 I959 F964 I994 V995 N996 A1029 Y1067	L883-L961 HydrophobicContact CB-CD2 3.91Å; L883-L961 HydrophobicContact CD1-CD2 3.63Å; L883-L961 HydrophobicContact CG-CD2 4.01Å; I959-L961 HydrophobicContact CG2-CD2 4.15Å; L961-F964 HydrophobicContact CB-CB 4.18Å; L961-F964 HydrophobicContact CD2-CB 4.34Å; L961-F964 HydrophobicContact CD2-CD1 4.03Å; L961-F964 HydrophobicContact CD2-CG 4.39Å; L961-I994 HydrophobicContact CD1-CG2 3.84Å; L961-I994 HydrophobicContact CD2-CG2 4.07Å; L961-I994 HydrophobicContact CG-CG2 3.69Å; L961-V995 PolarHBondContact N-O 2.92Å; L961-N996 HydrophobicContact CB-CB 4.12Å; L961-N996 VanDerWaalsContact CB-OD1 3.26Å; L961-N996 WeakPolarHBondContact CB-OD1 3.3Å; L961-N996 HydrophobicContact CD1-CB 4.2Å; L961-N996 HydrophobicContact CG-CB 4.46Å; L961-N996 PolarHBondContact O-OD1 2.97Å; L961-A1029 HydrophobicContact CD1-CB 4.3Å; L961-Y1067 VanDerWaalsContact C-OH 3.23Å; L961-Y1067 PolarHBondContact N-OH 3Å; L961-Y1067 WeakPolarHBondContact O-CE1 3.29Å; L961-Y1067 PolarHBondContact O-OH 3.48Å
962	A	93.4	Very high	84.2	Confident	6 Å²	6	56.4 Å²	56.4	5%	0.05	30%	0.297	C	S	.	.	S	Bend	trans	-115.4	75.4	-174.3	0	0	0	0	0	110.6	V882 L883 I884 N890 L894 C960 Y1067	V882-A962 HydrophobicContact CG1-CB 3.53Å; L883-A962 PolarHBondContact O-N 3.18Å; I884-A962 HydrophobicContact CG2-CB 4.11Å; N890-A962 HydrophobicContact CB-CB 3.92Å; L894-A962 HydrophobicContact CD1-CB 4.43Å; C960-A962 PolarHBondContact O-N 2.88Å; A962-Y1067 HydrophobicContact CB-CE1 4.07Å
963	G	85.9	Confident	81.4	Confident	37 Å²	37	57.2 Å²	57.2	38%	0.381	30%	0.302	S	S	.	.	S	Bend	trans	69	45.4	-170.8	0	0	0	0	0	111.7	S885	S885-G963 WeakPolarHBondContact CB-O 3.32Å; S885-G963 PolarHBondContact N-O 3.45Å; S885-G963 VanDerWaalsContact N-O 3.08Å
964	F	89.2	Confident	78.4	Confident	17 Å²	17	56 Å²	56	8%	0.075	30%	0.304	C	S	.	.			trans	-93.6	102.3	179.6	-173.8	-109.1	0	0	0	110.3	L883 S885 N913 F943 L961 Q966 L968	L883-F964 HydrophobicContact CB-CB 4.17Å; L883-F964 HydrophobicContact CB-CD1 4.31Å; L883-F964 HydrophobicContact CB-CD2 3.62Å; L883-F964 HydrophobicContact CB-CE2 4.04Å; L883-F964 HydrophobicContact CB-CG 3.77Å; L883-F964 HydrophobicContact CD1-CD1 4.49Å; L883-F964 HydrophobicContact CD1-CE1 4.3Å; L883-F964 HydrophobicContact CD1-CZ 4.39Å; S885-F964 WeakPolarHBondContact OG-CA 3Å; N913-F964 HydrophobicContact CB-CE2 3.87Å; N913-F964 HydrophobicContact CB-CZ 4.32Å; F943-F964 HydrophobicContact CE1-CZ 4.19Å; F943-F964 AromaticContact CZ-CZ 3.83Å; F943-F964 HydrophobicContact CZ-CZ 3.83Å; L961-F964 HydrophobicContact CB-CB 4.18Å; L961-F964 HydrophobicContact CD2-CB 4.34Å; L961-F964 HydrophobicContact CD2-CD1 4.03Å; L961-F964 HydrophobicContact CD2-CG 4.39Å; F964-Q966 VanDerWaalsContact C-N 3.28Å; F964-Q966 HydrophobicContact CD1-CB 4.28Å; F964-Q966 HydrophobicContact CE1-CB 3.69Å; F964-Q966 HydrophobicContact CE1-CG 4.31Å; F964-Q966 WeakPolarHBondContact CE1-O 3.32Å; F964-Q966 HydrophobicContact CZ-CB 3.83Å; F964-Q966 HydrophobicContact CZ-CG 4.32Å; F964-Q966 PolarHBondContact O-N 2.88Å; F964-Q966 VanDerWaalsContact O-N 3.11Å; F964-L968 HydrophobicContact CE1-CD2 4.26Å; F964-L968 HydrophobicContact CE1-CG 4.45Å
965	M	82.7	Confident	75.3	Confident	119 Å²	119	61.6 Å²	61.6	59%	0.586	33%	0.333	S	S	*	.			trans	-90.8	48	-167.8	-54.3	-64.6	-83.9	0	0	112	S885 L1008	S885-M965 PolarHBondContact OG-N 2.88Å; M965-L1008 HydrophobicContact CE-CD2 3.76Å
966	Q	82.8	Confident	72.4	Confident	65 Å²	65	60.3 Å²	60.3	30%	0.304	34%	0.343	S	S	.	.	S	Bend	trans	-144.6	127.4	-179.6	179.2	71.9	50.7	0	0	109.8	F943 F964	F943-Q966 HydrophobicContact CE1-CG 4.33Å; F964-Q966 VanDerWaalsContact C-N 3.28Å; F964-Q966 HydrophobicContact CD1-CB 4.28Å; F964-Q966 HydrophobicContact CE1-CB 3.69Å; F964-Q966 HydrophobicContact CE1-CG 4.31Å; F964-Q966 WeakPolarHBondContact CE1-O 3.32Å; F964-Q966 HydrophobicContact CZ-CB 3.83Å; F964-Q966 HydrophobicContact CZ-CG 4.32Å; F964-Q966 PolarHBondContact O-N 2.88Å; F964-Q966 VanDerWaalsContact O-N 3.11Å
967	I	80	Confident	69.4	Low	120 Å²	120	65.9 Å²	65.9	62%	0.615	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-74.1	135.3	176.2	-57.1	174.8	0	0	0	109	V1033	I967-V1033 HydrophobicContact CD1-CG2 4.28Å
968	L	82	Confident	66.3	Low	11 Å²	11	67.4 Å²	67.4	6%	0.058	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-98.6	143.9	174.1	-62.3	168.9	0	0	0	109.6	F943 E944 L947 F964 F986 L987 I994	F943-L968 HydrophobicContact CE1-CD2 4.27Å; E944-L968 HydrophobicContact CG-CD2 4.44Å; L947-L968 HydrophobicContact CD2-CD2 3.93Å; F964-L968 HydrophobicContact CE1-CD2 4.26Å; F964-L968 HydrophobicContact CE1-CG 4.45Å; L968-F986 HydrophobicContact CB-CD1 4.21Å; L968-F986 HydrophobicContact CD1-CD1 3.96Å; L968-F986 HydrophobicContact CD1-CE1 3.87Å; L968-F986 HydrophobicContact CD2-CD1 4.21Å; L968-F986 HydrophobicContact CD2-CE1 4.38Å; L968-F986 HydrophobicContact CG-CD1 4.36Å; L968-L987 HydrophobicContact CB-CD2 4.22Å; L968-L987 HydrophobicContact CB-CG 4.31Å; L968-I994 HydrophobicContact CD1-CD1 4.3Å
969	S	71.8	Confident	63.2	Low	25 Å²	25	72.3 Å²	72.3	18%	0.175	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-69.7	132.7	-170.8	74.2	0	0	0	0	113.8	E944 N985 F986 L987	E944-S969 VanDerWaalsContact OE1-CB 3.31Å; E944-S969 WeakPolarHBondContact OE1-CB 3.17Å; E944-S969 PolarHBondContact OE1-N 3.31Å; E944-S969 PolarHBondContact OE1-OG 2.8Å; E944-S969 WeakPolarHBondContact OE2-CB 3.35Å; E944-S969 PolarHBondContact OE2-OG 2.96Å; S969-N985 PolarHBondContact OG-N 3.33Å; S969-F986 PolarHBondContact O-N 3.33Å; S969-F986 PolarHBondContact OG-N 2.96Å; S969-L987 WeakPolarHBondContact O-CB 3.47Å; S969-L987 WeakPolarHBondContact O-CG 3.07Å; S969-L987 PolarHBondContact O-N 2.97Å; S969-L987 VanDerWaalsContact O-N 3.13Å
970	G	63.9	Low	60	Low	15 Å²	15	78.8 Å²	78.8	16%	0.155	49%	0.491	C	S	.	.			trans	-101.3	-163.8	167.6	0	0	0	0	0	112.5	L972 E1031	G970-L972 VanDerWaalsContact C-N 3.28Å; G970-L972 PolarHBondContact O-N 2.73Å; G970-E1031 WeakPolarHBondContact CA-OE1 3.46Å
971	I	46.9	Very low	56.8	Low	89 Å²	89	81.6 Å²	81.6	46%	0.456	52%	0.52	S	S	.	.			trans	-80.3	73.9	178.1	-57.6	176.9	0	0	0	109.7	V973 K988 E1031	I971-V973 HydrophobicContact CG2-CG2 4.26Å; I971-V973 PolarHBondContact O-N 2.71Å; I971-K988 HydrophobicContact CD1-CD 4.16Å; I971-E1031 VanDerWaalsContact C-OE1 3.31Å; I971-E1031 PolarHBondContact N-OE1 3.19Å; I971-E1031 PolarHBondContact N-OE2 3.18Å
972	L	41.7	Very low	53.7	Low	168 Å²	168	89.6 Å²	89.6	88%	0.88	56%	0.561	S	S	*	*			trans	-77.9	107	163.6	-91.7	171.1	0	0	0	110.5	G970	G970-L972 VanDerWaalsContact C-N 3.28Å; G970-L972 PolarHBondContact O-N 2.73Å
973	V	33.7	Very low	50.9	Low	114 Å²	114	91.5 Å²	91.5	69%	0.691	58%	0.577	S	S	*	*			trans	-65.1	135.6	-177.2	173.1	0	0	0	0	111.5	I971	I971-V973 HydrophobicContact CG2-CG2 4.26Å; I971-V973 PolarHBondContact O-N 2.71Å
974	T	30.1	Very low	49.2	Very low	110 Å²	110	91 Å²	91	68%	0.675	57%	0.572	S	S	*	*			trans	-15.5	136.3	166.3	56.8	0	0	0	0	117.8
975	Q	28.2	Very low	48.4	Very low	187 Å²	187	93 Å²	93	87%	0.874	58%	0.583	S	S	*	*				171.8	96.6	102.3	-90.5	-175.6	19.3	0	0	112.1
976	A	31.6	Very low	48.5	Very low	94 Å²	94	87.7 Å²	87.7	78%	0.777	56%	0.557	S	S	*	*	S	Bend	trans	-174.9	147.1	148.7	0	0	0	0	0	110.5
977	C	31.5	Very low	48.5	Very low	129 Å²	129	85.6 Å²	85.6	87%	0.872	55%	0.547	S	S	*	.			trans	58.3	104.7	169.1	-59.8	0	0	0	0	116.8	S979	C977-S979 PolarHBondContact O-N 2.84Å
978	G	29.8	Very low	48.5	Very low	82 Å²	82	86.2 Å²	86.2	85%	0.845	55%	0.546	S	S	*	.			trans	-65.6	121	175.2	0	0	0	0	0	112.8
979	S	32.2	Very low	48.7	Very low	117 Å²	117	91.4 Å²	91.4	82%	0.818	57%	0.568	S	S	*	*			trans	-153.7	122.9	154	-77.7	0	0	0	0	107.2	C977 G981	C977-S979 PolarHBondContact O-N 2.84Å; S979-G981 PolarHBondContact O-N 3.26Å
980	S	28.7	Very low	49.5	Very low	135 Å²	135	90.9 Å²	90.9	94%	0.944	56%	0.562	S	S	*	*			trans	-70.2	99.9	-175.8	50	0	0	0	0	111.2
981	G	31.4	Very low	50.7	Low	60 Å²	60	93.7 Å²	93.7	62%	0.619	58%	0.576	S	S	*	*			trans	-153.4	125.6	173.3	0	0	0	0	0	110	S979 A983	S979-G981 PolarHBondContact O-N 3.26Å; G981-A983 PolarHBondContact O-N 3.03Å
982	I	30.8	Very low	52.7	Low	181 Å²	181	90.3 Å²	90.3	93%	0.928	56%	0.563	S	S	*	*			trans	-82.1	96.7	-176.6	-58.7	165.4	0	0	0	108.1
983	A	34.3	Very low	55.2	Low	47 Å²	47	88.3 Å²	88.3	39%	0.388	54%	0.544	S	S	.	.			trans	-143.1	153.6	-170.1	0	0	0	0	0	112.1	E941 G981	E941-A983 HydrophobicContact CG-CB 4.01Å; E941-A983 WeakPolarHBondContact OE1-CB 3.46Å; E941-A983 WeakPolarHBondContact OE2-CB 3.19Å; G981-A983 PolarHBondContact O-N 3.03Å
984	G	49.8	Very low	58.1	Low	26 Å²	26	83 Å²	83	27%	0.268	51%	0.512	S	S	.	.			trans	75.8	76.3	-172	0	0	0	0	0	115.1	E941	E941-G984 PolarHBondContact OE1-N 3.24Å
985	N	73.1	Confident	61.2	Low	60 Å²	60	77.9 Å²	77.9	32%	0.321	48%	0.48	S	S	.	.			trans	-160.6	30.6	179.5	-119.4	-49.3	0	0	0	114.9	S969 K988 K989	S969-N985 PolarHBondContact OG-N 3.33Å; N985-K988 PolarHBondContact O-N 2.99Å; N985-K988 WeakPolarHBondContact OD1-CB 3.33Å; N985-K988 WeakPolarHBondContact OD1-CD 3.42Å; N985-K989 PolarHBondContact O-N 2.7Å
986	F	83.4	Confident	64.4	Low	6 Å²	6	70 Å²	70	3%	0.026	44%	0.444	C	S	.	.	H	α-helix	trans	-64.7	-49.2	-170.4	-171.1	-85.9	0	0	0	112.8	E944 L947 Q948 L951 I959 L968 S969 K988 K989 W990 I994	E944-F986 HydrophobicContact CB-CB 4.38Å; E944-F986 HydrophobicContact CB-CD2 4.06Å; E944-F986 HydrophobicContact CG-CB 4.17Å; E944-F986 HydrophobicContact CG-CD2 4.31Å; E944-F986 HydrophobicContact CG-CG 4.37Å; E944-F986 WeakPolarHBondContact OE2-CB 3.23Å; L947-F986 HydrophobicContact CB-CE2 4.35Å; L947-F986 HydrophobicContact CD2-CE1 4.29Å; L947-F986 HydrophobicContact CD2-CE2 3.84Å; L947-F986 HydrophobicContact CD2-CZ 3.65Å; L947-F986 HydrophobicContact CG-CE2 4.07Å; L947-F986 HydrophobicContact CG-CZ 4.08Å; Q948-F986 HydrophobicContact CB-CE2 4.23Å; L951-F986 HydrophobicContact CD1-CE2 4.12Å; L951-F986 HydrophobicContact CD1-CZ 3.67Å; I959-F986 HydrophobicContact CD1-CE1 4.28Å; I959-F986 HydrophobicContact CD1-CZ 4.11Å; L968-F986 HydrophobicContact CB-CD1 4.21Å; L968-F986 HydrophobicContact CD1-CD1 3.96Å; L968-F986 HydrophobicContact CD1-CE1 3.87Å; L968-F986 HydrophobicContact CD2-CD1 4.21Å; L968-F986 HydrophobicContact CD2-CE1 4.38Å; L968-F986 HydrophobicContact CG-CD1 4.36Å; S969-F986 PolarHBondContact O-N 3.33Å; S969-F986 PolarHBondContact OG-N 2.96Å; F986-K988 PolarHBondContact O-N 2.97Å; F986-K989 PolarHBondContact O-N 3.1Å; F986-K989 VanDerWaalsContact O-N 3.09Å; F986-W990 AromaticContact CE1-CD1 3.77Å; F986-W990 HydrophobicContact CE1-CG 4.42Å; F986-W990 AromaticContact CE2-NE1 3.97Å; F986-W990 AromaticContact CZ-CD1 3.77Å; F986-W990 AromaticContact CZ-NE1 3.75Å; F986-I994 HydrophobicContact CD1-CD1 4.38Å; F986-I994 HydrophobicContact CE1-CD1 4.03Å
987	L	82.8	Confident	67.5	Low	21 Å²	21	66 Å²	66	11%	0.11	41%	0.409	C	S	.	.	H	α-helix	trans	-58.2	-35.6	179.2	-70.7	175.2	0	0	0	112.2	L968 S969 K989 W990 V991 I994 E1031	L968-L987 HydrophobicContact CB-CD2 4.22Å; L968-L987 HydrophobicContact CB-CG 4.31Å; S969-L987 WeakPolarHBondContact O-CB 3.47Å; S969-L987 WeakPolarHBondContact O-CG 3.07Å; S969-L987 PolarHBondContact O-N 2.97Å; S969-L987 VanDerWaalsContact O-N 3.13Å; L987-K989 VanDerWaalsContact C-N 3.31Å; L987-K989 PolarHBondContact O-N 3.38Å; L987-W990 CarbonylContact O-C 3.52Å; L987-W990 PolarHBondContact O-N 3.27Å; L987-V991 VanDerWaalsContact O-CG2 3.26Å; L987-V991 WeakPolarHBondContact O-CG2 3.45Å; L987-V991 PolarHBondContact O-N 3.36Å; L987-V991 VanDerWaalsContact O-N 3.08Å; L987-I994 HydrophobicContact CD2-CD1 3.83Å; L987-E1031 HydrophobicContact CD1-CB 4.19Å
988	K	81.6	Confident	70.5	Confident	134 Å²	134	60.3 Å²	60.3	58%	0.583	37%	0.37	S	S	*	.	H	α-helix	trans	-66.4	-28.3	179.4	-164.6	177.1	-175.2	175.1	0	113.6	I971 N985 F986	I971-K988 HydrophobicContact CD1-CD 4.16Å; N985-K988 PolarHBondContact O-N 2.99Å; N985-K988 WeakPolarHBondContact OD1-CB 3.33Å; N985-K988 WeakPolarHBondContact OD1-CD 3.42Å; F986-K988 PolarHBondContact O-N 2.97Å
989	K	85.4	Confident	73.5	Confident	119 Å²	119	58.1 Å²	58.1	52%	0.517	34%	0.341	S	S	.	.	H	α-helix	trans	-75.4	-28.8	175.6	-68.6	178.5	-178.7	174.1	0	112.7	N985 F986 L987	N985-K989 PolarHBondContact O-N 2.7Å; F986-K989 PolarHBondContact O-N 3.1Å; F986-K989 VanDerWaalsContact O-N 3.09Å; L987-K989 VanDerWaalsContact C-N 3.31Å; L987-K989 PolarHBondContact O-N 3.38Å
990	W	89.1	Confident	76.5	Confident	15 Å²	15	52.6 Å²	52.6	6%	0.057	30%	0.302	C	S	.	.	S	Bend	trans	-116.7	22.8	-172.7	-63.8	91.8	0	0	0	113.8	L951 V956 I959 F986 L987 G992 R993 I994	L951-W990 HydrophobicContact CB-CH2 4.05Å; L951-W990 HydrophobicContact CB-CZ2 3.73Å; L951-W990 HydrophobicContact CD1-CZ2 3.87Å; L951-W990 HydrophobicContact CG-CZ2 4.34Å; V956-W990 HydrophobicContact CB-CH2 4.21Å; V956-W990 HydrophobicContact CG1-CH2 4.24Å; V956-W990 HydrophobicContact CG1-CZ3 4.31Å; V956-W990 VanDerWaalsContact O-CH2 3.24Å; V956-W990 WeakPolarHBondContact O-CH2 3.49Å; V956-W990 WeakPolarHBondContact O-CZ3 3.43Å; I959-W990 HydrophobicContact CD1-CD2 3.5Å; I959-W990 HydrophobicContact CD1-CE3 3.6Å; I959-W990 HydrophobicContact CD1-CG 3.94Å; I959-W990 HydrophobicContact CD1-CH2 4.23Å; I959-W990 HydrophobicContact CD1-CZ2 4.15Å; I959-W990 HydrophobicContact CD1-CZ3 3.97Å; I959-W990 HydrophobicContact CG1-CD2 4.29Å; I959-W990 HydrophobicContact CG1-CE3 3.85Å; I959-W990 HydrophobicContact CG1-CH2 4.43Å; I959-W990 HydrophobicContact CG1-CZ3 3.94Å; F986-W990 AromaticContact CE1-CD1 3.77Å; F986-W990 HydrophobicContact CE1-CG 4.42Å; F986-W990 AromaticContact CE2-NE1 3.97Å; F986-W990 AromaticContact CZ-CD1 3.77Å; F986-W990 AromaticContact CZ-NE1 3.75Å; L987-W990 CarbonylContact O-C 3.52Å; L987-W990 PolarHBondContact O-N 3.27Å; W990-G992 PolarHBondContact O-N 3.47Å; W990-R993 HydrophobicContact CE3-CB 4.05Å; W990-R993 WeakPolarHBondContact O-CA 3.3Å; W990-R993 WeakPolarHBondContact O-CB 3.34Å; W990-R993 PolarHBondContact O-N 2.96Å; W990-I994 HydrophobicContact CB-CD1 3.77Å; W990-I994 HydrophobicContact CB-CG1 3.64Å
991	V	88.2	Confident	79.6	Confident	73 Å²	73	47.8 Å²	47.8	44%	0.442	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	124.1	178.5	177	0	0	0	0	110.7	L987 R993 R1081	L987-V991 VanDerWaalsContact O-CG2 3.26Å; L987-V991 WeakPolarHBondContact O-CG2 3.45Å; L987-V991 PolarHBondContact O-N 3.36Å; L987-V991 VanDerWaalsContact O-N 3.08Å; V991-R993 PolarHBondContact O-N 3.15Å; V991-R1081 VanDerWaalsContact CG1-NH1 3.31Å
992	G	89.9	Confident	82.6	Confident	18 Å²	18	45.4 Å²	45.4	19%	0.186	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	9.9	-178.6	0	0	0	0	0	115.2	W990 F1028	W990-G992 PolarHBondContact O-N 3.47Å; G992-F1028 VanDerWaalsContact O-CE1 3.23Å; G992-F1028 WeakPolarHBondContact O-CE1 3.46Å
993	R	93.4	Very high	85.5	Confident	127 Å²	127	41.8 Å²	41.8	48%	0.479	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-4.2	177.2	-53.7	-167.9	-153.2	-178.4	5	114.4	E957 L958 I959 W990 V991	E957-R993 VanDerWaalsContact O-CD 3.32Å; E957-R993 WeakPolarHBondContact O-CD 3.29Å; L958-R993 WeakPolarHBondContact CA-O 3.05Å; L958-R993 HydrophobicContact CD2-CB 4.03Å; I959-R993 PolarHBondContact N-O 3.09Å; W990-R993 HydrophobicContact CE3-CB 4.05Å; W990-R993 WeakPolarHBondContact O-CA 3.3Å; W990-R993 WeakPolarHBondContact O-CB 3.34Å; W990-R993 PolarHBondContact O-N 2.96Å; V991-R993 PolarHBondContact O-N 3.15Å
994	I	94.8	Very high	88.2	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.1	172.5	-51.6	177.6	0	0	0	108.4	I959 L961 L968 F986 L987 W990 F1028 A1029	I959-I994 HydrophobicContact CB-CG1 4.23Å; I959-I994 HydrophobicContact CB-CG2 4.44Å; I959-I994 HydrophobicContact CD1-CG1 4.24Å; I959-I994 HydrophobicContact CG2-CG2 4.45Å; I959-I994 CarbonylContact O-C 3.47Å; I959-I994 WeakPolarHBondContact O-CA 3.28Å; L961-I994 HydrophobicContact CD1-CG2 3.84Å; L961-I994 HydrophobicContact CD2-CG2 4.07Å; L961-I994 HydrophobicContact CG-CG2 3.69Å; L968-I994 HydrophobicContact CD1-CD1 4.3Å; F986-I994 HydrophobicContact CD1-CD1 4.38Å; F986-I994 HydrophobicContact CE1-CD1 4.03Å; L987-I994 HydrophobicContact CD2-CD1 3.83Å; W990-I994 HydrophobicContact CB-CD1 3.77Å; W990-I994 HydrophobicContact CB-CG1 3.64Å; I994-F1028 CarbonylContact O-C 3.59Å; I994-F1028 WeakPolarHBondContact O-CA 3.39Å; I994-A1029 HydrophobicContact CB-CB 3.9Å; I994-A1029 HydrophobicContact CG2-CB 3.57Å; I994-A1029 PolarHBondContact O-N 3.25Å
995	V	96.1	Very high	90.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.5	173	-172.2	0	0	0	0	108.3	I959 C960 L961 V1026 H1027 F1028 I1039 Y1067 V1071 V1074	I959-V995 PolarHBondContact O-N 2.96Å; C960-V995 CarbonylContact C-O 3.48Å; C960-V995 WeakPolarHBondContact CA-O 3.35Å; L961-V995 PolarHBondContact N-O 2.92Å; V995-V1026 HydrophobicContact CG1-CG1 3.33Å; V995-H1027 WeakPolarHBondContact CA-O 3.2Å; V995-F1028 HydrophobicContact CG2-CD1 4.37Å; V995-F1028 HydrophobicContact CG2-CE1 4.29Å; V995-I1039 HydrophobicContact CG1-CD1 3.75Å; V995-I1039 HydrophobicContact CG2-CD1 4.18Å; V995-Y1067 HydrophobicContact CB-CE2 4.4Å; V995-Y1067 HydrophobicContact CG1-CE2 3.8Å; V995-Y1067 PolarHBondContact O-OH 2.9Å; V995-Y1067 VanDerWaalsContact O-OH 3.09Å; V995-V1071 HydrophobicContact CG1-CG2 4.31Å; V995-V1074 HydrophobicContact CG2-CG1 4.45Å; V995-V1074 HydrophobicContact CG2-CG2 4.35Å
996	N	95.4	Very high	90.9	Very high	22 Å²	22	45 Å²	45	12%	0.118	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.6	177.4	-176.1	48.3	0	0	0	110.5	L961 V1026 H1027	L961-N996 HydrophobicContact CB-CB 4.12Å; L961-N996 VanDerWaalsContact CB-OD1 3.26Å; L961-N996 WeakPolarHBondContact CB-OD1 3.3Å; L961-N996 HydrophobicContact CD1-CB 4.2Å; L961-N996 HydrophobicContact CG-CB 4.46Å; L961-N996 PolarHBondContact O-OD1 2.97Å; N996-V1026 CarbonylContact O-C 3.12Å; N996-V1026 VanDerWaalsContact O-CA 3.31Å; N996-V1026 WeakPolarHBondContact O-CA 3.44Å; N996-H1027 PolarHBondContact N-O 3.2Å; N996-H1027 PolarHBondContact ND2-NE2 3.02Å; N996-H1027 PolarHBondContact O-N 3Å
997	I	95.6	Very high	90.9	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.046	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.5	166.7	-168.9	155	0	0	0	110.8	T1025 V1026 E1063 I1066 Y1067	I997-T1025 CarbonylContact C-O 3.56Å; I997-T1025 WeakPolarHBondContact CA-O 3.3Å; I997-V1026 HydrophobicContact CB-CG2 4.47Å; I997-V1026 HydrophobicContact CD1-CG2 3.85Å; I997-V1026 HydrophobicContact CG1-CG2 4.16Å; I997-E1063 HydrophobicContact CD1-CB 3.65Å; I997-E1063 HydrophobicContact CD1-CG 3.65Å; I997-E1063 HydrophobicContact CG1-CG 4.21Å; I997-I1066 HydrophobicContact CD1-CD1 4.46Å; I997-I1066 HydrophobicContact CD1-CG1 4.13Å; I997-Y1067 HydrophobicContact CB-CD1 3.75Å; I997-Y1067 HydrophobicContact CB-CD2 4.45Å; I997-Y1067 HydrophobicContact CB-CE1 3.77Å; I997-Y1067 HydrophobicContact CB-CG 4.08Å; I997-Y1067 HydrophobicContact CD1-CD1 4.05Å; I997-Y1067 HydrophobicContact CD1-CG 3.95Å; I997-Y1067 HydrophobicContact CG2-CD1 3.47Å; I997-Y1067 VanDerWaalsContact CG2-CD1 3.47Å; I997-Y1067 HydrophobicContact CG2-CE1 3.33Å; I997-Y1067 HydrophobicContact CG2-CG 4.3Å
998	H	94.2	Very high	90.9	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.3	177.6	-171.5	67.7	0	0	0	111.1	A1000 L1002 F1005 G1007 A1024 T1025 D1034	H998-A1000 PolarHBondContact O-N 3.09Å; H998-L1002 HydrophobicContact CB-CD1 3.91Å; H998-L1002 HydrophobicContact CB-CG 4.24Å; H998-L1002 WeakPolarHBondContact CD2-CD2 3.36Å; H998-F1005 PolarHBondContact NE2-O 3.29Å; H998-G1007 PolarHBondContact CE1-O 3.06Å; H998-A1024 WeakPolarHBondContact O-CA 3.42Å; H998-T1025 PolarHBondContact N-O 3.09Å; H998-T1025 PolarHBondContact O-N 3.01Å; H998-D1034 IonicContact CE1-OD2 2.62Å; H998-D1034 PolarHBondContact CE1-OD2 3.24Å; H998-D1034 IonicContact ND1-OD1 2.68Å; H998-D1034 IonicContact ND1-OD2 2.8Å
999	P	94.4	Very high	91.2	Very high	36 Å²	36	50 Å²	50	23%	0.234	26%	0.263	C	S	.	.	S	Bend	trans	-76.6	40.9	-178.3	20.1	-20.4	0	0	0	115	P1010 G1023 I1059 E1063	P999-P1010 HydrophobicContact CB-CG 4.21Å; P999-P1010 HydrophobicContact CG-CG 3.8Å; P999-G1023 CarbonylContact C-O 3.52Å; P999-I1059 HydrophobicContact CB-CG2 4.02Å; P999-E1063 WeakPolarHBondContact CB-OE1 3.29Å
1000	A	94.7	Very high	91.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-149.5	170.7	166.9	0	0	0	0	0	111.5	H998 L1002 L1004 F1005 P1010 G1023 A1024 T1025	H998-A1000 PolarHBondContact O-N 3.09Å; A1000-L1002 PolarHBondContact O-N 3.42Å; A1000-L1004 WeakPolarHBondContact CB-O 3.43Å; A1000-F1005 HydrophobicContact CB-CB 3.82Å; A1000-F1005 HydrophobicContact CB-CD2 4.34Å; A1000-P1010 HydrophobicContact CB-CB 3.79Å; A1000-G1023 CarbonylContact C-O 3.52Å; A1000-G1023 WeakPolarHBondContact CA-O 3.48Å; A1000-G1023 PolarHBondContact N-O 3Å; A1000-G1023 VanDerWaalsContact N-O 3.14Å; A1000-A1024 CarbonylContact O-C 3.6Å; A1000-T1025 WeakPolarHBondContact O-CB 3.26Å; A1000-T1025 PolarHBondContact O-N 3.42Å; A1000-T1025 PolarHBondContact O-OG1 3.34Å
1001	L	94.4	Very high	91.7	Very high	34 Å²	34	45.1 Å²	45.1	18%	0.178	24%	0.243	C	C	.	.			trans	-83.6	86.4	170.1	-65	176.6	0	0	0	110.7	L1004 V1021 S1022 T1025 Q1041 A1043	L1001-L1004 WeakPolarHBondContact O-CA 3.32Å; L1001-L1004 WeakPolarHBondContact O-CB 3.23Å; L1001-L1004 PolarHBondContact O-N 3.08Å; L1001-V1021 HydrophobicContact CD1-CG1 4.06Å; L1001-S1022 WeakPolarHBondContact CD1-O 3.45Å; L1001-T1025 WeakPolarHBondContact CA-OG1 3.47Å; L1001-Q1041 HydrophobicContact CD2-CB 4.13Å; L1001-Q1041 HydrophobicContact CD2-CG 4.35Å; L1001-A1043 HydrophobicContact CD1-CB 4.03Å
1002	L	92.8	Very high	92	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	140.2	178.6	-64.7	176.9	0	0	0	111.5	H998 A1000 K1006 T1025 D1034 Q1041	H998-L1002 HydrophobicContact CB-CD1 3.91Å; H998-L1002 HydrophobicContact CB-CG 4.24Å; H998-L1002 WeakPolarHBondContact CD2-CD2 3.36Å; A1000-L1002 PolarHBondContact O-N 3.42Å; L1002-K1006 HydrophobicContact CD2-CG 3.95Å; L1002-T1025 HydrophobicContact CB-CG2 4.09Å; L1002-T1025 HydrophobicContact CD1-CG2 4.01Å; L1002-T1025 HydrophobicContact CG-CG2 4.23Å; L1002-T1025 PolarHBondContact N-OG1 3.28Å; L1002-D1034 HydrophobicContact CD1-CB 3.96Å; L1002-D1034 HydrophobicContact CD2-CB 3.73Å; L1002-Q1041 PolarHBondContact O-NE2 3.41Å
1003	P	91.3	Very high	92.2	Very high	106 Å²	106	49.9 Å²	49.9	69%	0.688	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.8	7.9	10.4	35.1	-37.6	0	0	0	115.6
1004	L	91.6	Very high	92.3	Very high	101 Å²	101	43.9 Å²	43.9	53%	0.529	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	144.5	175	-55	173.4	0	0	0	111	A1000 L1001 K1006	A1000-L1004 WeakPolarHBondContact CB-O 3.43Å; L1001-L1004 WeakPolarHBondContact O-CA 3.32Å; L1001-L1004 WeakPolarHBondContact O-CB 3.23Å; L1001-L1004 PolarHBondContact O-N 3.08Å; L1004-K1006 PolarHBondContact O-N 3.38Å
1005	F	90.5	Very high	92.3	Very high	34 Å²	34	45.8 Å²	45.8	15%	0.149	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	51.7	172.7	-43	-58.2	0	0	0	114.9	H998 A1000 P1010 Q1013 A1014 A1017 V1019	H998-F1005 PolarHBondContact NE2-O 3.29Å; A1000-F1005 HydrophobicContact CB-CB 3.82Å; A1000-F1005 HydrophobicContact CB-CD2 4.34Å; F1005-P1010 HydrophobicContact CB-CB 4.07Å; F1005-Q1013 HydrophobicContact CB-CB 4.24Å; F1005-Q1013 HydrophobicContact CD1-CB 3.55Å; F1005-Q1013 HydrophobicContact CE1-CB 4.26Å; F1005-Q1013 WeakPolarHBondContact CE1-O 3.32Å; F1005-Q1013 HydrophobicContact CG-CB 4.18Å; F1005-A1014 HydrophobicContact CD2-CB 3.96Å; F1005-A1014 HydrophobicContact CE2-CB 3.72Å; F1005-A1014 HydrophobicContact CG-CB 4.47Å; F1005-A1014 HydrophobicContact CZ-CB 4.02Å; F1005-A1017 HydrophobicContact CE1-CB 3.96Å; F1005-A1017 HydrophobicContact CZ-CB 4.19Å; F1005-V1019 HydrophobicContact CE2-CG2 3.83Å; F1005-V1019 HydrophobicContact CZ-CB 4.48Å; F1005-V1019 HydrophobicContact CZ-CG1 3.99Å; F1005-V1019 HydrophobicContact CZ-CG2 3.67Å
1006	K	88.9	Confident	92.2	Very high	66 Å²	66	51.7 Å²	51.7	29%	0.287	27%	0.269	S	S	.	.			trans	-62.2	153.9	171.9	-68.1	-166.7	172.3	-152.7	0	112.3	L1002 L1004 Q1013 E1032 V1033 D1034	L1002-K1006 HydrophobicContact CD2-CG 3.95Å; L1004-K1006 PolarHBondContact O-N 3.38Å; K1006-Q1013 PolarHBondContact O-NE2 3.45Å; K1006-Q1013 PolarHBondContact O-OE1 3.11Å; K1006-E1032 IonicContact NZ-OE1 3.21Å; K1006-E1032 PolarHBondContact NZ-OE1 3.16Å; K1006-V1033 PolarHBondContact NZ-O 2.66Å; K1006-V1033 VanDerWaalsContact NZ-O 3.12Å; K1006-D1034 HydrophobicContact CB-CB 4.3Å; K1006-D1034 HydrophobicContact CD-CB 4.09Å; K1006-D1034 WeakPolarHBondContact CE-O 3.35Å; K1006-D1034 HydrophobicContact CG-CB 3.93Å; K1006-D1034 PolarHBondContact NZ-O 3.24Å
1007	G	83.2	Confident	92.2	Very high	31 Å²	31	53.6 Å²	53.6	32%	0.32	29%	0.288	S	S	.	.	S	Bend	trans	86.6	-157.4	170.8	0	0	0	0	0	115.3	H998 H1009 P1010 D1034	H998-G1007 PolarHBondContact CE1-O 3.06Å; G1007-H1009 PolarHBondContact O-N 3.1Å; G1007-P1010 WeakPolarHBondContact O-CD 3.38Å; G1007-D1034 PolarHBondContact N-OD2 2.92Å
1008	L	82.7	Confident	92	Very high	127 Å²	127	55.8 Å²	55.8	67%	0.665	31%	0.313	S	S	*	.	S	Bend	trans	-76.7	-18.4	-156.3	-66.9	172	0	0	0	117	M965 P1010	M965-L1008 HydrophobicContact CE-CD2 3.76Å; L1008-P1010 VanDerWaalsContact C-CD 3.48Å
1009	H	88.4	Confident	92.1	Very high	107 Å²	107	57.6 Å²	57.6	50%	0.495	33%	0.325	S	S	.	.			trans	-132.8	53.4	-171.9	-59.8	-58.8	0	0	0	113.7	G1007 H1011 R1012 Q1013	G1007-H1009 PolarHBondContact O-N 3.1Å; H1009-H1011 VanDerWaalsContact C-N 3.33Å; H1009-H1011 PolarHBondContact O-N 3.14Å; H1009-R1012 HydrophobicContact CB-CB 4.28Å; H1009-R1012 PolarHBondContact O-N 3.46Å; H1009-Q1013 WeakPolarHBondContact O-CG 3.44Å; H1009-Q1013 PolarHBondContact O-N 3.45Å
1010	P	91.5	Very high	92.2	Very high	8 Å²	8	62.8 Å²	62.8	5%	0.052	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-38.5	-172.5	20.3	-29.8	0	0	0	113.6	P999 A1000 F1005 G1007 L1008 Q1013 A1014	P999-P1010 HydrophobicContact CB-CG 4.21Å; P999-P1010 HydrophobicContact CG-CG 3.8Å; A1000-P1010 HydrophobicContact CB-CB 3.79Å; F1005-P1010 HydrophobicContact CB-CB 4.07Å; G1007-P1010 WeakPolarHBondContact O-CD 3.38Å; L1008-P1010 VanDerWaalsContact C-CD 3.48Å; P1010-Q1013 PolarHBondContact O-N 3.2Å; P1010-A1014 WeakPolarHBondContact O-CB 3.39Å; P1010-A1014 PolarHBondContact O-N 2.78Å
1011	H	93.6	Very high	92.2	Very high	24 Å²	24	66.5 Å²	66.5	11%	0.111	36%	0.362	C	S	.	.	H	α-helix	trans	-63.6	-46.3	179.2	-54.8	-38	0	0	0	111.9	H1009 A1014 L1015 E1052 L1055 S1056	H1009-H1011 VanDerWaalsContact C-N 3.33Å; H1009-H1011 PolarHBondContact O-N 3.14Å; H1011-A1014 PolarHBondContact O-N 2.91Å; H1011-L1015 WeakPolarHBondContact O-CG 3.28Å; H1011-L1015 PolarHBondContact O-N 3.5Å; H1011-E1052 HydrophobicContact CB-CG 4.46Å; H1011-L1055 HydrophobicContact CB-CD2 4.41Å; H1011-S1056 VanDerWaalsContact CD2-CB 3.44Å; H1011-S1056 WeakPolarHBondContact CD2-CB 3.33Å; H1011-S1056 PolarHBondContact CD2-OG 3.23Å; H1011-S1056 WeakPolarHBondContact NE2-CA 3.31Å; H1011-S1056 VanDerWaalsContact NE2-CB 3.3Å; H1011-S1056 WeakPolarHBondContact NE2-CB 3.45Å; H1011-S1056 PolarHBondContact NE2-OG 3.07Å
1012	R	94.6	Very high	92.3	Very high	120 Å²	120	65 Å²	65	45%	0.453	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-48.9	174.5	-175.8	170.5	-62.9	172.3	2.1	111.4	H1009 A1014 L1015 D1016 E1052	H1009-R1012 HydrophobicContact CB-CB 4.28Å; H1009-R1012 PolarHBondContact O-N 3.46Å; R1012-A1014 PolarHBondContact O-N 3.17Å; R1012-L1015 PolarHBondContact O-N 2.8Å; R1012-L1015 VanDerWaalsContact O-N 3.12Å; R1012-D1016 VanDerWaalsContact CG-OD2 3.3Å; R1012-D1016 WeakPolarHBondContact CG-OD2 3.2Å; R1012-D1016 WeakPolarHBondContact O-CB 3.47Å; R1012-D1016 VanDerWaalsContact O-CG 3.25Å; R1012-D1016 PolarHBondContact O-N 3.2Å; R1012-E1052 HydrophobicContact CB-CG 4.29Å; R1012-E1052 IonicContact CZ-OE1 3.67Å; R1012-E1052 IonicContact NE-OE1 2.58Å; R1012-E1052 PolarHBondContact NE-OE1 3.17Å; R1012-E1052 IonicContact NE-OE2 2.8Å; R1012-E1052 IonicContact NH2-OE1 2.88Å; R1012-E1052 PolarHBondContact NH2-OE1 3.46Å; R1012-E1052 IonicContact NH2-OE2 2.91Å
1013	Q	94.9	Very high	92.4	Very high	71 Å²	71	64.5 Å²	64.5	33%	0.332	35%	0.352	S	S	.	.	H	α-helix	trans	-58.9	-36.2	179.2	-65.6	170.4	6	0	0	112.4	F1005 K1006 H1009 P1010 A1017	F1005-Q1013 HydrophobicContact CB-CB 4.24Å; F1005-Q1013 HydrophobicContact CD1-CB 3.55Å; F1005-Q1013 HydrophobicContact CE1-CB 4.26Å; F1005-Q1013 WeakPolarHBondContact CE1-O 3.32Å; F1005-Q1013 HydrophobicContact CG-CB 4.18Å; K1006-Q1013 PolarHBondContact O-NE2 3.45Å; K1006-Q1013 PolarHBondContact O-OE1 3.11Å; H1009-Q1013 WeakPolarHBondContact O-CG 3.44Å; H1009-Q1013 PolarHBondContact O-N 3.45Å; P1010-Q1013 PolarHBondContact O-N 3.2Å; Q1013-A1017 WeakPolarHBondContact O-CB 3.48Å; Q1013-A1017 PolarHBondContact O-N 3.49Å
1014	A	94.5	Very high	92.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.9	-41.6	175.3	0	0	0	0	0	112.9	F1005 P1010 H1011 R1012 G1018 V1019 L1055	F1005-A1014 HydrophobicContact CD2-CB 3.96Å; F1005-A1014 HydrophobicContact CE2-CB 3.72Å; F1005-A1014 HydrophobicContact CG-CB 4.47Å; F1005-A1014 HydrophobicContact CZ-CB 4.02Å; P1010-A1014 WeakPolarHBondContact O-CB 3.39Å; P1010-A1014 PolarHBondContact O-N 2.78Å; H1011-A1014 PolarHBondContact O-N 2.91Å; R1012-A1014 PolarHBondContact O-N 3.17Å; A1014-G1018 PolarHBondContact O-N 3.44Å; A1014-V1019 HydrophobicContact CB-CG2 3.93Å; A1014-V1019 WeakPolarHBondContact O-CG2 3.47Å; A1014-V1019 PolarHBondContact O-N 2.99Å; A1014-L1055 HydrophobicContact CB-CD2 4.37Å
1015	L	95	Very high	93	Very high	43 Å²	43	54.6 Å²	54.6	23%	0.225	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-46.7	176.7	-67.3	169.1	0	0	0	111.5	H1011 R1012 A1017 G1018 V1046 D1050 E1052 L1055	H1011-L1015 WeakPolarHBondContact O-CG 3.28Å; H1011-L1015 PolarHBondContact O-N 3.5Å; R1012-L1015 PolarHBondContact O-N 2.8Å; R1012-L1015 VanDerWaalsContact O-N 3.12Å; L1015-A1017 VanDerWaalsContact C-N 3.29Å; L1015-A1017 PolarHBondContact O-N 3.02Å; L1015-G1018 PolarHBondContact O-N 2.87Å; L1015-V1046 HydrophobicContact CD2-CG1 3.79Å; L1015-D1050 HydrophobicContact CD2-CB 3.91Å; L1015-E1052 HydrophobicContact CD1-CB 4.44Å; L1015-E1052 HydrophobicContact CD1-CG 3.84Å; L1015-L1055 HydrophobicContact CD2-CD2 4.16Å; L1015-L1055 HydrophobicContact CG-CD2 4.06Å
1016	D	94.4	Very high	93.3	Very high	126 Å²	126	53 Å²	53	67%	0.674	29%	0.286	S	S	*	.	H	α-helix	trans	-62.4	-35.3	178	-68.4	-9	0	0	0	112	R1012 G1018	R1012-D1016 VanDerWaalsContact CG-OD2 3.3Å; R1012-D1016 WeakPolarHBondContact CG-OD2 3.2Å; R1012-D1016 WeakPolarHBondContact O-CB 3.47Å; R1012-D1016 VanDerWaalsContact O-CG 3.25Å; R1012-D1016 PolarHBondContact O-N 3.2Å; D1016-G1018 PolarHBondContact O-N 2.7Å
1017	A	94.5	Very high	93.6	Very high	61 Å²	61	50 Å²	50	50%	0.504	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.5	174.5	0	0	0	0	0	113.9	F1005 Q1013 L1015 V1019	F1005-A1017 HydrophobicContact CE1-CB 3.96Å; F1005-A1017 HydrophobicContact CZ-CB 4.19Å; Q1013-A1017 WeakPolarHBondContact O-CB 3.48Å; Q1013-A1017 PolarHBondContact O-N 3.49Å; L1015-A1017 VanDerWaalsContact C-N 3.29Å; L1015-A1017 PolarHBondContact O-N 3.02Å; A1017-V1019 HydrophobicContact CB-CG1 4.18Å; A1017-V1019 PolarHBondContact O-N 3.04Å
1018	G	92.2	Very high	94.1	Very high	56 Å²	56	48.5 Å²	48.5	58%	0.577	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	19	-179.4	0	0	0	0	0	114.6	A1014 L1015 D1016	A1014-G1018 PolarHBondContact O-N 3.44Å; L1015-G1018 PolarHBondContact O-N 2.87Å; D1016-G1018 PolarHBondContact O-N 2.7Å
1019	V	95.7	Very high	94.5	Very high	48 Å²	48	43.3 Å²	43.3	29%	0.291	23%	0.234	S	C	.	.			trans	-68.4	147.8	-179.2	-64.6	0	0	0	0	110.9	F1005 A1014 A1017 V1021 V1046	F1005-V1019 HydrophobicContact CE2-CG2 3.83Å; F1005-V1019 HydrophobicContact CZ-CB 4.48Å; F1005-V1019 HydrophobicContact CZ-CG1 3.99Å; F1005-V1019 HydrophobicContact CZ-CG2 3.67Å; A1014-V1019 HydrophobicContact CB-CG2 3.93Å; A1014-V1019 WeakPolarHBondContact O-CG2 3.47Å; A1014-V1019 PolarHBondContact O-N 2.99Å; A1017-V1019 HydrophobicContact CB-CG1 4.18Å; A1017-V1019 PolarHBondContact O-N 3.04Å; V1019-V1021 WeakPolarHBondContact CG2-O 3.5Å; V1019-V1046 VanDerWaalsContact O-CB 3.31Å; V1019-V1046 WeakPolarHBondContact O-CB 3.44Å; V1019-V1046 WeakPolarHBondContact O-CG1 3.2Å
1020	R	96.2	Very high	94.4	Very high	146 Å²	146	39.6 Å²	39.6	55%	0.551	22%	0.216	S	C	*	.	S	Bend	trans	-93.3	-0.7	179.4	-58.9	-53.4	-55.1	-82.3	-7.1	114	V1046	R1020-V1046 PolarHBondContact NE-O 3.12Å; R1020-V1046 PolarHBondContact NH2-O 3.17Å; R1020-V1046 PolarHBondContact O-N 2.73Å
1021	V	95.8	Very high	93.9	Very high	78 Å²	78	43.9 Å²	43.9	47%	0.473	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.8	179.8	179.9	0	0	0	0	109.3	L1001 V1019 A1043 V1044	L1001-V1021 HydrophobicContact CD1-CG1 4.06Å; V1019-V1021 WeakPolarHBondContact CG2-O 3.5Å; V1021-A1043 HydrophobicContact CG1-CB 3.76Å; V1021-V1044 WeakPolarHBondContact CA-O 3.45Å
1022	S	96	Very high	93.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	-158.3	164.8	-169.8	0	0	0	0	107.8	L1001 A1043 V1044	L1001-S1022 WeakPolarHBondContact CD1-O 3.45Å; S1022-A1043 CarbonylContact O-C 3.59Å; S1022-A1043 VanDerWaalsContact O-CA 3.23Å; S1022-A1043 WeakPolarHBondContact O-CA 3.3Å; S1022-V1044 PolarHBondContact N-O 2.69Å; S1022-V1044 PolarHBondContact O-N 2.73Å
1023	G	96.1	Very high	92.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-157.5	-178.4	0	0	0	0	0	113.6	P999 A1000 R1042	P999-G1023 CarbonylContact C-O 3.52Å; A1000-G1023 CarbonylContact C-O 3.52Å; A1000-G1023 WeakPolarHBondContact CA-O 3.48Å; A1000-G1023 PolarHBondContact N-O 3Å; A1000-G1023 VanDerWaalsContact N-O 3.14Å; G1023-R1042 CarbonylContact C-O 3.45Å; G1023-R1042 WeakPolarHBondContact CA-O 3.02Å
1024	A	96.9	Very high	92.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	152.5	171.6	0	0	0	0	0	111.4	H998 A1000 Q1041 R1042 I1059 I1062 E1063 I1066	H998-A1024 WeakPolarHBondContact O-CA 3.42Å; A1000-A1024 CarbonylContact O-C 3.6Å; A1024-Q1041 WeakPolarHBondContact O-CA 3.41Å; A1024-R1042 PolarHBondContact N-O 3.43Å; A1024-R1042 PolarHBondContact O-N 2.95Å; A1024-R1042 VanDerWaalsContact O-N 3.11Å; A1024-I1059 HydrophobicContact CB-CG2 4.09Å; A1024-I1062 HydrophobicContact CB-CD1 4Å; A1024-I1062 HydrophobicContact CB-CG1 4.39Å; A1024-E1063 HydrophobicContact CB-CG 3.64Å; A1024-I1066 HydrophobicContact CB-CD1 3.83Å; A1024-I1066 WeakPolarHBondContact O-CD1 3.27Å
1025	T	97.1	Very high	91.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.4	178.9	-55.4	0	0	0	0	110.9	I997 H998 A1000 L1001 L1002 H1027 I1038 Q1041	I997-T1025 CarbonylContact C-O 3.56Å; I997-T1025 WeakPolarHBondContact CA-O 3.3Å; H998-T1025 PolarHBondContact N-O 3.09Å; H998-T1025 PolarHBondContact O-N 3.01Å; A1000-T1025 WeakPolarHBondContact O-CB 3.26Å; A1000-T1025 PolarHBondContact O-N 3.42Å; A1000-T1025 PolarHBondContact O-OG1 3.34Å; L1001-T1025 WeakPolarHBondContact CA-OG1 3.47Å; L1002-T1025 HydrophobicContact CB-CG2 4.09Å; L1002-T1025 HydrophobicContact CD1-CG2 4.01Å; L1002-T1025 HydrophobicContact CG-CG2 4.23Å; L1002-T1025 PolarHBondContact N-OG1 3.28Å; T1025-H1027 HydrophobicContact CG2-CB 4.31Å; T1025-I1038 HydrophobicContact CG2-CB 4.49Å; T1025-I1038 HydrophobicContact CG2-CD1 4.41Å; T1025-I1038 HydrophobicContact CG2-CG1 3.92Å; T1025-I1038 HydrophobicContact CG2-CG2 4.03Å; T1025-Q1041 HydrophobicContact CG2-CG 3.68Å; T1025-Q1041 WeakPolarHBondContact OG1-CG 3.46Å; T1025-Q1041 PolarHBondContact OG1-NE2 3.25Å
1026	V	97	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.5	164.4	-172.4	0	0	0	0	108.5	V995 N996 I997 I1039 S1040 I1066 Y1067 A1070	V995-V1026 HydrophobicContact CG1-CG1 3.33Å; N996-V1026 CarbonylContact O-C 3.12Å; N996-V1026 VanDerWaalsContact O-CA 3.31Å; N996-V1026 WeakPolarHBondContact O-CA 3.44Å; I997-V1026 HydrophobicContact CB-CG2 4.47Å; I997-V1026 HydrophobicContact CD1-CG2 3.85Å; I997-V1026 HydrophobicContact CG1-CG2 4.16Å; V1026-I1039 HydrophobicContact CG1-CB 4.49Å; V1026-I1039 HydrophobicContact CG1-CD1 4.37Å; V1026-I1039 PolarHBondContact O-N 2.81Å; V1026-S1040 PolarHBondContact N-O 3.26Å; V1026-S1040 PolarHBondContact O-N 2.92Å; V1026-S1040 VanDerWaalsContact O-N 3.11Å; V1026-I1066 HydrophobicContact CG2-CD1 4.03Å; V1026-I1066 HydrophobicContact CG2-CG1 3.89Å; V1026-Y1067 HydrophobicContact CG1-CD2 3.88Å; V1026-Y1067 HydrophobicContact CG1-CE2 4.09Å; V1026-Y1067 HydrophobicContact CG2-CD2 4.11Å; V1026-Y1067 HydrophobicContact CG2-CG 4.42Å; V1026-A1070 HydrophobicContact CB-CB 3.78Å; V1026-A1070 HydrophobicContact CG1-CB 3.53Å; V1026-A1070 HydrophobicContact CG2-CB 3.96Å
1027	H	95.5	Very high	91.2	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	162.6	-177.3	67.3	97.2	0	0	0	111.6	V995 N996 T1025 G1037	V995-H1027 WeakPolarHBondContact CA-O 3.2Å; N996-H1027 PolarHBondContact N-O 3.2Å; N996-H1027 PolarHBondContact ND2-NE2 3.02Å; N996-H1027 PolarHBondContact O-N 3Å; T1025-H1027 HydrophobicContact CG2-CB 4.31Å; H1027-G1037 CarbonylContact C-O 3.48Å; H1027-G1037 VanDerWaalsContact CA-O 3.3Å; H1027-G1037 WeakPolarHBondContact CA-O 3.33Å; H1027-G1037 WeakPolarHBondContact CB-O 3.42Å
1028	F	94.2	Very high	91.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.1	166.7	-69.6	-74.8	0	0	0	110.5	G992 I994 V995 G1036 G1037 I1039 V1074 V1079 R1081 V1087	G992-F1028 VanDerWaalsContact O-CE1 3.23Å; G992-F1028 WeakPolarHBondContact O-CE1 3.46Å; I994-F1028 CarbonylContact O-C 3.59Å; I994-F1028 WeakPolarHBondContact O-CA 3.39Å; V995-F1028 HydrophobicContact CG2-CD1 4.37Å; V995-F1028 HydrophobicContact CG2-CE1 4.29Å; F1028-G1036 WeakPolarHBondContact O-CA 3.39Å; F1028-G1037 PolarHBondContact N-O 3.08Å; F1028-I1039 HydrophobicContact CD1-CD1 4.18Å; F1028-I1039 HydrophobicContact CD2-CD1 3.81Å; F1028-I1039 HydrophobicContact CD2-CG1 3.84Å; F1028-I1039 HydrophobicContact CE1-CD1 4.12Å; F1028-I1039 HydrophobicContact CE2-CD1 3.76Å; F1028-I1039 HydrophobicContact CE2-CG1 3.63Å; F1028-I1039 HydrophobicContact CG-CD1 4.03Å; F1028-I1039 HydrophobicContact CZ-CD1 3.92Å; F1028-I1039 HydrophobicContact CZ-CG1 4.18Å; F1028-V1074 HydrophobicContact CE1-CG1 4Å; F1028-V1074 HydrophobicContact CE1-CG2 4.09Å; F1028-V1074 HydrophobicContact CZ-CG1 4.17Å; F1028-V1074 HydrophobicContact CZ-CG2 3.74Å; F1028-V1079 HydrophobicContact CE2-CG1 4.17Å; F1028-R1081 HydrophobicContact CD2-CB 4.02Å; F1028-R1081 HydrophobicContact CE2-CB 4.14Å; F1028-R1081 HydrophobicContact CG-CB 4.27Å; F1028-V1087 HydrophobicContact CD2-CG1 3.62Å; F1028-V1087 HydrophobicContact CE2-CG1 3.59Å
1029	A	90.1	Very high	91.3	Very high	18 Å²	18	34.2 Å²	34.2	15%	0.149	18%	0.175	C	C	.	.			trans	-74.3	140.3	171.7	0	0	0	0	0	110.8	L961 I994	L961-A1029 HydrophobicContact CD1-CB 4.3Å; I994-A1029 HydrophobicContact CB-CB 3.9Å; I994-A1029 HydrophobicContact CG2-CB 3.57Å; I994-A1029 PolarHBondContact O-N 3.25Å
1030	E	85.9	Confident	91.3	Very high	28 Å²	28	33.2 Å²	33.2	13%	0.131	17%	0.17	C	C	.	.			trans	-133	-179.7	177.2	-57.9	-77.6	-171.9	0	0	108.8	R1081 N1085	E1030-R1081 VanDerWaalsContact CD-NE 3.29Å; E1030-R1081 IonicContact OE1-CZ 3.45Å; E1030-R1081 IonicContact OE1-NE 3.1Å; E1030-R1081 PolarHBondContact OE1-NE 2.82Å; E1030-R1081 IonicContact OE1-NH2 3.37Å; E1030-R1081 PolarHBondContact OE1-NH2 2.96Å; E1030-R1081 IonicContact OE2-CZ 3.33Å; E1030-R1081 IonicContact OE2-NE 2.65Å; E1030-R1081 PolarHBondContact OE2-NE 2.96Å; E1030-R1081 VanDerWaalsContact OE2-NE 3.1Å; E1030-R1081 IonicContact OE2-NH2 2.72Å; E1030-R1081 PolarHBondContact OE2-NH2 3.05Å; E1030-N1085 PolarHBondContact OE1-N 3.34Å
1031	E	81.3	Confident	91.3	Very high	98 Å²	98	30.1 Å²	30.1	46%	0.458	16%	0.162	S	C	.	.	S	Bend	trans	-71.9	-38.1	179	178.7	160.5	-168.9	0	0	113.7	G970 I971 L987	G970-E1031 WeakPolarHBondContact CA-OE1 3.46Å; I971-E1031 VanDerWaalsContact C-OE1 3.31Å; I971-E1031 PolarHBondContact N-OE1 3.19Å; I971-E1031 PolarHBondContact N-OE2 3.18Å; L987-E1031 HydrophobicContact CD1-CB 4.19Å
1032	E	82.1	Confident	91.3	Very high	119 Å²	119	31.3 Å²	31.3	56%	0.556	16%	0.158	S	C	*	.	S	Bend	trans	-78.4	124.3	167.8	-174.1	-155.9	139.7	0	0	109.2	K1006 D1034 S1035	K1006-E1032 IonicContact NZ-OE1 3.21Å; K1006-E1032 PolarHBondContact NZ-OE1 3.16Å; E1032-D1034 PolarHBondContact O-N 3.21Å; E1032-S1035 VanDerWaalsContact O-CB 3.28Å; E1032-S1035 WeakPolarHBondContact O-CB 3.41Å; E1032-S1035 PolarHBondContact O-N 2.75Å; E1032-S1035 PolarHBondContact O-OG 3.24Å
1033	V	82	Confident	91.3	Very high	75 Å²	75	34 Å²	34	46%	0.455	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	135.7	-178.9	-179.1	0	0	0	0	111	I967 K1006 S1035	I967-V1033 HydrophobicContact CD1-CG2 4.28Å; K1006-V1033 PolarHBondContact NZ-O 2.66Å; K1006-V1033 VanDerWaalsContact NZ-O 3.12Å; V1033-S1035 PolarHBondContact O-N 3.39Å; V1033-S1035 VanDerWaalsContact O-N 3.11Å
1034	D	83.1	Confident	91.2	Very high	19 Å²	19	34.5 Å²	34.5	10%	0.102	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	31.3	178.7	-49.2	-24	0	0	0	114.6	H998 L1002 K1006 G1007 E1032	H998-D1034 IonicContact CE1-OD2 2.62Å; H998-D1034 PolarHBondContact CE1-OD2 3.24Å; H998-D1034 IonicContact ND1-OD1 2.68Å; H998-D1034 IonicContact ND1-OD2 2.8Å; L1002-D1034 HydrophobicContact CD1-CB 3.96Å; L1002-D1034 HydrophobicContact CD2-CB 3.73Å; K1006-D1034 HydrophobicContact CB-CB 4.3Å; K1006-D1034 HydrophobicContact CD-CB 4.09Å; K1006-D1034 WeakPolarHBondContact CE-O 3.35Å; K1006-D1034 HydrophobicContact CG-CB 3.93Å; K1006-D1034 PolarHBondContact NZ-O 3.24Å; G1007-D1034 PolarHBondContact N-OD2 2.92Å; E1032-D1034 PolarHBondContact O-N 3.21Å
1035	S	85.1	Confident	91.2	Very high	15 Å²	15	37.2 Å²	37.2	11%	0.105	20%	0.201	C	C	.	.			trans	-103.6	-20.2	-176.8	70	0	0	0	0	115.4	E1032 V1033 N1085	E1032-S1035 VanDerWaalsContact O-CB 3.28Å; E1032-S1035 WeakPolarHBondContact O-CB 3.41Å; E1032-S1035 PolarHBondContact O-N 2.75Å; E1032-S1035 PolarHBondContact O-OG 3.24Å; V1033-S1035 PolarHBondContact O-N 3.39Å; V1033-S1035 VanDerWaalsContact O-N 3.11Å; S1035-N1085 WeakPolarHBondContact O-CB 3.47Å; S1035-N1085 PolarHBondContact O-ND2 3.28Å; S1035-N1085 PolarHBondContact O-OD1 3.01Å
1036	G	86.7	Confident	91.1	Very high	5 Å²	5	37.5 Å²	37.5	5%	0.052	20%	0.203	C	C	.	.	S	Bend	trans	-74.4	173	-160.5	0	0	0	0	0	116.6	F1028 I1038	F1028-G1036 WeakPolarHBondContact O-CA 3.39Å; G1036-I1038 PolarHBondContact O-N 2.83Å
1037	G	92	Very high	91	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-60.5	118.8	-172.3	0	0	0	0	0	112.2	H1027 F1028	H1027-G1037 CarbonylContact C-O 3.48Å; H1027-G1037 VanDerWaalsContact CA-O 3.3Å; H1027-G1037 WeakPolarHBondContact CA-O 3.33Å; H1027-G1037 WeakPolarHBondContact CB-O 3.42Å; F1028-G1037 PolarHBondContact N-O 3.08Å
1038	I	94.7	Very high	90.6	Very high	62 Å²	62	48.6 Å²	48.6	32%	0.318	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	126.6	-177.3	-63.9	169.1	0	0	0	110.3	T1025 G1036 Q1041 V1087	T1025-I1038 HydrophobicContact CG2-CB 4.49Å; T1025-I1038 HydrophobicContact CG2-CD1 4.41Å; T1025-I1038 HydrophobicContact CG2-CG1 3.92Å; T1025-I1038 HydrophobicContact CG2-CG2 4.03Å; G1036-I1038 PolarHBondContact O-N 2.83Å; I1038-Q1041 HydrophobicContact CG2-CG 3.77Å; I1038-V1087 VanDerWaalsContact O-CG2 3.28Å; I1038-V1087 WeakPolarHBondContact O-CG2 3.22Å
1039	I	95.1	Very high	90.6	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-35.2	178.1	-59	154.3	0	0	0	110.7	V995 V1026 F1028 A1070 V1074 V1079 W1089	V995-I1039 HydrophobicContact CG1-CD1 3.75Å; V995-I1039 HydrophobicContact CG2-CD1 4.18Å; V1026-I1039 HydrophobicContact CG1-CB 4.49Å; V1026-I1039 HydrophobicContact CG1-CD1 4.37Å; V1026-I1039 PolarHBondContact O-N 2.81Å; F1028-I1039 HydrophobicContact CD1-CD1 4.18Å; F1028-I1039 HydrophobicContact CD2-CD1 3.81Å; F1028-I1039 HydrophobicContact CD2-CG1 3.84Å; F1028-I1039 HydrophobicContact CE1-CD1 4.12Å; F1028-I1039 HydrophobicContact CE2-CD1 3.76Å; F1028-I1039 HydrophobicContact CE2-CG1 3.63Å; F1028-I1039 HydrophobicContact CG-CD1 4.03Å; F1028-I1039 HydrophobicContact CZ-CD1 3.92Å; F1028-I1039 HydrophobicContact CZ-CG1 4.18Å; I1039-A1070 HydrophobicContact CB-CB 4.45Å; I1039-A1070 HydrophobicContact CG2-CB 3.74Å; I1039-V1074 HydrophobicContact CD1-CG2 3.9Å; I1039-V1074 HydrophobicContact CG1-CG2 4.37Å; I1039-V1074 HydrophobicContact CG2-CG2 4.18Å; I1039-V1079 HydrophobicContact CG1-CG1 4.11Å; I1039-V1079 HydrophobicContact CG2-CB 4.32Å; I1039-V1079 HydrophobicContact CG2-CG1 4.15Å; I1039-V1079 HydrophobicContact CG2-CG2 4.33Å; I1039-W1089 WeakPolarHBondContact O-CH2 3.32Å; I1039-W1089 WeakPolarHBondContact O-CZ2 3.24Å
1040	S	94.4	Very high	90.8	Very high	27 Å²	27	55 Å²	55	19%	0.189	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	148	177	-169.9	0	0	0	0	110.8	V1026	V1026-S1040 PolarHBondContact N-O 3.26Å; V1026-S1040 PolarHBondContact O-N 2.92Å; V1026-S1040 VanDerWaalsContact O-N 3.11Å
1041	Q	95.9	Very high	91.2	Very high	81 Å²	81	55.9 Å²	55.9	38%	0.379	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.9	170.9	-81.1	-179.1	-39.7	0	0	109.7	L1001 L1002 A1024 T1025 I1038	L1001-Q1041 HydrophobicContact CD2-CB 4.13Å; L1001-Q1041 HydrophobicContact CD2-CG 4.35Å; L1002-Q1041 PolarHBondContact O-NE2 3.41Å; A1024-Q1041 WeakPolarHBondContact O-CA 3.41Å; T1025-Q1041 HydrophobicContact CG2-CG 3.68Å; T1025-Q1041 WeakPolarHBondContact OG1-CG 3.46Å; T1025-Q1041 PolarHBondContact OG1-NE2 3.25Å; I1038-Q1041 HydrophobicContact CG2-CG 3.77Å
1042	R	96.4	Very high	91.8	Very high	103 Å²	103	54.4 Å²	54.4	39%	0.389	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	136.2	166.5	-171.7	177.5	-64	160.2	-1.2	110.2	G1023 A1024 I1062 D1065 I1066	G1023-R1042 CarbonylContact C-O 3.45Å; G1023-R1042 WeakPolarHBondContact CA-O 3.02Å; A1024-R1042 PolarHBondContact N-O 3.43Å; A1024-R1042 PolarHBondContact O-N 2.95Å; A1024-R1042 VanDerWaalsContact O-N 3.11Å; R1042-I1062 HydrophobicContact CB-CD1 3.93Å; R1042-I1062 HydrophobicContact CG-CB 4.49Å; R1042-I1062 HydrophobicContact CG-CD1 4.24Å; R1042-I1062 HydrophobicContact CG-CG2 4.36Å; R1042-I1062 WeakPolarHBondContact O-CD1 3.3Å; R1042-D1065 IonicContact CZ-OD2 3.96Å; R1042-D1065 IonicContact NH1-OD2 2.99Å; R1042-D1065 PolarHBondContact NH1-OD2 3.28Å; R1042-D1065 IonicContact NH2-OD2 3.77Å; R1042-D1065 PolarHBondContact NH2-OD2 2.98Å; R1042-I1066 HydrophobicContact CB-CD1 4.45Å; R1042-I1066 HydrophobicContact CB-CG2 3.75Å
1043	A	96.4	Very high	92.4	Very high	57 Å²	57	52.7 Å²	52.7	47%	0.471	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	153.3	179.3	0	0	0	0	0	111.9	L1001 V1021 S1022	L1001-A1043 HydrophobicContact CD1-CB 4.03Å; V1021-A1043 HydrophobicContact CG1-CB 3.76Å; S1022-A1043 CarbonylContact O-C 3.59Å; S1022-A1043 VanDerWaalsContact O-CA 3.23Å; S1022-A1043 WeakPolarHBondContact O-CA 3.3Å
1044	V	94.5	Very high	93.1	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.067	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.8	166.5	-65.1	0	0	0	0	110.5	V1021 S1022 L1055 I1059 I1062	V1021-V1044 WeakPolarHBondContact CA-O 3.45Å; S1022-V1044 PolarHBondContact N-O 2.69Å; S1022-V1044 PolarHBondContact O-N 2.73Å; V1044-L1055 HydrophobicContact CG2-CD1 4.23Å; V1044-I1059 HydrophobicContact CG2-CD1 4.24Å; V1044-I1059 HydrophobicContact CG2-CG1 3.56Å; V1044-I1062 HydrophobicContact CG1-CD1 3.76Å; V1044-I1062 HydrophobicContact CG1-CG1 4.04Å; V1044-I1062 HydrophobicContact CG1-CG2 3.81Å
1045	P	95.4	Very high	93.7	Very high	58 Å²	58	50.9 Å²	50.9	38%	0.377	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	141.9	173.6	29.6	-35	0	0	0	111.2	Y1047 R1058	P1045-Y1047 HydrophobicContact CB-CE1 3.96Å; P1045-Y1047 HydrophobicContact CG-CE1 4.13Å; P1045-Y1047 HydrophobicContact CG-CE2 4.48Å; P1045-Y1047 WeakPolarHBondContact CG-OH 3.26Å; P1045-R1058 PolarHBondContact O-NH1 3.13Å
1046	V	95.5	Very high	94.1	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.03	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-103	121.1	167.8	-175.9	0	0	0	0	107.8	L1015 V1019 R1020 L1055	L1015-V1046 HydrophobicContact CD2-CG1 3.79Å; V1019-V1046 VanDerWaalsContact O-CB 3.31Å; V1019-V1046 WeakPolarHBondContact O-CB 3.44Å; V1019-V1046 WeakPolarHBondContact O-CG1 3.2Å; R1020-V1046 PolarHBondContact NE-O 3.12Å; R1020-V1046 PolarHBondContact NH2-O 3.17Å; R1020-V1046 PolarHBondContact O-N 2.73Å; V1046-L1055 HydrophobicContact CG1-CD2 4.4Å; V1046-L1055 HydrophobicContact CG2-CD1 3.91Å; V1046-L1055 HydrophobicContact CG2-CD2 4.17Å
1047	Y	94	Very high	94.4	Very high	113 Å²	113	57.3 Å²	57.3	44%	0.443	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-93.1	153.1	178.2	-57.1	-53.2	0	0	0	110.7	P1045 T1049 D1050 R1058	P1045-Y1047 HydrophobicContact CB-CE1 3.96Å; P1045-Y1047 HydrophobicContact CG-CE1 4.13Å; P1045-Y1047 HydrophobicContact CG-CE2 4.48Å; P1045-Y1047 WeakPolarHBondContact CG-OH 3.26Å; Y1047-T1049 PolarHBondContact O-N 3.38Å; Y1047-T1049 VanDerWaalsContact O-N 3.14Å; Y1047-D1050 PolarHBondContact N-OD2 3.06Å; Y1047-D1050 WeakPolarHBondContact O-CB 3.41Å; Y1047-D1050 PolarHBondContact O-N 3.32Å; Y1047-D1050 VanDerWaalsContact O-N 3.08Å; Y1047-R1058 VanDerWaalsContact CD2-NH1 3.27Å
1048	T	88.5	Confident	94.5	Very high	124 Å²	124	59.9 Å²	59.9	76%	0.761	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.2	-179.9	49.7	0	0	0	0	113.7
1049	T	93	Very high	94.5	Very high	126 Å²	126	57 Å²	57	77%	0.773	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	6.4	175.7	51.4	0	0	0	0	112.9	Y1047	Y1047-T1049 PolarHBondContact O-N 3.38Å; Y1047-T1049 VanDerWaalsContact O-N 3.14Å
1050	D	94.2	Very high	94.4	Very high	25 Å²	25	59.9 Å²	59.9	13%	0.134	33%	0.326	C	S	.	.			trans	-75.5	139.4	-176.5	-82.4	-36.2	0	0	0	113.7	L1015 Y1047 T1054 R1058	L1015-D1050 HydrophobicContact CD2-CB 3.91Å; Y1047-D1050 PolarHBondContact N-OD2 3.06Å; Y1047-D1050 WeakPolarHBondContact O-CB 3.41Å; Y1047-D1050 PolarHBondContact O-N 3.32Å; Y1047-D1050 VanDerWaalsContact O-N 3.08Å; D1050-T1054 WeakPolarHBondContact CA-OG1 3.47Å; D1050-T1054 PolarHBondContact OD1-OG1 3.18Å; D1050-R1058 IonicContact OD1-CZ 2.81Å; D1050-R1058 IonicContact OD1-NH1 2.7Å; D1050-R1058 IonicContact OD1-NH2 3.58Å; D1050-R1058 PolarHBondContact OD1-NH2 2.86Å; D1050-R1058 IonicContact OD2-CZ 3.62Å; D1050-R1058 IonicContact OD2-NH1 3.15Å; D1050-R1058 PolarHBondContact OD2-NH1 2.82Å; D1050-R1058 IonicContact OD2-NH2 3.43Å; D1050-R1058 PolarHBondContact OD2-NH2 3.11Å
1051	S	94.7	Very high	94.2	Very high	47 Å²	47	65 Å²	65	33%	0.329	35%	0.347	S	S	.	.			trans	-98.8	166.7	163.8	61.2	0	0	0	0	109.7	S1053 T1054 L1055	S1051-S1053 PolarHBondContact O-N 2.99Å; S1051-S1053 VanDerWaalsContact O-N 3.17Å; S1051-S1053 PolarHBondContact OG-OG 3.01Å; S1051-T1054 PolarHBondContact N-OG1 3.04Å; S1051-T1054 PolarHBondContact O-N 2.85Å; S1051-T1054 PolarHBondContact O-OG1 2.95Å; S1051-T1054 WeakPolarHBondContact OG-CG2 3.5Å; S1051-T1054 PolarHBondContact OG-N 2.67Å; S1051-T1054 VanDerWaalsContact OG-N 3.16Å; S1051-T1054 PolarHBondContact OG-OG1 3Å; S1051-L1055 PolarHBondContact O-N 3.44Å
1052	E	95	Very high	94.1	Very high	68 Å²	68	62.1 Å²	62.1	32%	0.318	33%	0.334	S	S	.	.	H	α-helix	trans	-54.1	-35.3	171.6	-73.1	-174.7	-113.3	0	0	112.1	H1011 R1012 L1015 S1056	H1011-E1052 HydrophobicContact CB-CG 4.46Å; R1012-E1052 HydrophobicContact CB-CG 4.29Å; R1012-E1052 IonicContact CZ-OE1 3.67Å; R1012-E1052 IonicContact NE-OE1 2.58Å; R1012-E1052 PolarHBondContact NE-OE1 3.17Å; R1012-E1052 IonicContact NE-OE2 2.8Å; R1012-E1052 IonicContact NH2-OE1 2.88Å; R1012-E1052 PolarHBondContact NH2-OE1 3.46Å; R1012-E1052 IonicContact NH2-OE2 2.91Å; L1015-E1052 HydrophobicContact CD1-CB 4.44Å; L1015-E1052 HydrophobicContact CD1-CG 3.84Å; E1052-S1056 WeakPolarHBondContact O-CB 3.05Å; E1052-S1056 PolarHBondContact O-N 3.14Å
1053	S	94.2	Very high	94.1	Very high	83 Å²	83	57.8 Å²	57.8	58%	0.58	32%	0.318	S	S	*	.	H	α-helix	trans	-70.2	-46.3	177.1	41.3	0	0	0	0	113.4	S1051 L1055 S1056 E1057	S1051-S1053 PolarHBondContact O-N 2.99Å; S1051-S1053 VanDerWaalsContact O-N 3.17Å; S1051-S1053 PolarHBondContact OG-OG 3.01Å; S1053-L1055 VanDerWaalsContact C-N 3.33Å; S1053-L1055 PolarHBondContact O-N 3.37Å; S1053-S1056 PolarHBondContact O-N 3.5Å; S1053-E1057 WeakPolarHBondContact O-CB 3.38Å; S1053-E1057 PolarHBondContact O-N 3.05Å
1054	T	95.5	Very high	94	Very high	55 Å²	55	59 Å²	59	34%	0.337	31%	0.314	S	S	.	.	H	α-helix	trans	-70	-32.1	-178.1	57.6	0	0	0	0	112.1	D1050 S1051 R1058	D1050-T1054 WeakPolarHBondContact CA-OG1 3.47Å; D1050-T1054 PolarHBondContact OD1-OG1 3.18Å; S1051-T1054 PolarHBondContact N-OG1 3.04Å; S1051-T1054 PolarHBondContact O-N 2.85Å; S1051-T1054 PolarHBondContact O-OG1 2.95Å; S1051-T1054 WeakPolarHBondContact OG-CG2 3.5Å; S1051-T1054 PolarHBondContact OG-N 2.67Å; S1051-T1054 VanDerWaalsContact OG-N 3.16Å; S1051-T1054 PolarHBondContact OG-OG1 3Å; T1054-R1058 PolarHBondContact O-N 2.91Å; T1054-R1058 PolarHBondContact O-NH2 2.75Å
1055	L	95.9	Very high	93.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-71.7	-43.3	171	-179	56.3	0	0	0	111.6	H1011 A1014 L1015 V1044 V1046 S1051 S1053 E1057 R1058 I1059	H1011-L1055 HydrophobicContact CB-CD2 4.41Å; A1014-L1055 HydrophobicContact CB-CD2 4.37Å; L1015-L1055 HydrophobicContact CD2-CD2 4.16Å; L1015-L1055 HydrophobicContact CG-CD2 4.06Å; V1044-L1055 HydrophobicContact CG2-CD1 4.23Å; V1046-L1055 HydrophobicContact CG1-CD2 4.4Å; V1046-L1055 HydrophobicContact CG2-CD1 3.91Å; V1046-L1055 HydrophobicContact CG2-CD2 4.17Å; S1051-L1055 PolarHBondContact O-N 3.44Å; S1053-L1055 VanDerWaalsContact C-N 3.33Å; S1053-L1055 PolarHBondContact O-N 3.37Å; L1055-E1057 PolarHBondContact O-N 2.73Å; L1055-R1058 PolarHBondContact O-N 2.99Å; L1055-I1059 HydrophobicContact CD1-CD1 3.88Å; L1055-I1059 HydrophobicContact CD1-CG1 4.27Å; L1055-I1059 HydrophobicContact CG-CD1 3.94Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.46Å; L1055-I1059 PolarHBondContact O-N 2.96Å
1056	S	93.9	Very high	93.9	Very high	24 Å²	24	59 Å²	59	17%	0.168	31%	0.31	C	S	.	.	H	α-helix	trans	-61.4	-42.7	177.8	-168.7	0	0	0	0	112.3	H1011 E1052 S1053 R1058 I1059 K1060	H1011-S1056 VanDerWaalsContact CD2-CB 3.44Å; H1011-S1056 WeakPolarHBondContact CD2-CB 3.33Å; H1011-S1056 PolarHBondContact CD2-OG 3.23Å; H1011-S1056 WeakPolarHBondContact NE2-CA 3.31Å; H1011-S1056 VanDerWaalsContact NE2-CB 3.3Å; H1011-S1056 WeakPolarHBondContact NE2-CB 3.45Å; H1011-S1056 PolarHBondContact NE2-OG 3.07Å; E1052-S1056 WeakPolarHBondContact O-CB 3.05Å; E1052-S1056 PolarHBondContact O-N 3.14Å; S1053-S1056 PolarHBondContact O-N 3.5Å; S1056-R1058 PolarHBondContact O-N 2.98Å; S1056-I1059 PolarHBondContact O-N 3.44Å; S1056-K1060 WeakPolarHBondContact O-CG 3.39Å; S1056-K1060 PolarHBondContact O-N 3.47Å
1057	E	92.4	Very high	94	Very high	132 Å²	132	58.8 Å²	58.8	62%	0.617	31%	0.309	S	S	*	.	H	α-helix	trans	-65.2	-39	179.9	-169.5	153.3	-140	0	0	112.2	S1053 L1055 K1060 Q1061	S1053-E1057 WeakPolarHBondContact O-CB 3.38Å; S1053-E1057 PolarHBondContact O-N 3.05Å; L1055-E1057 PolarHBondContact O-N 2.73Å; E1057-K1060 PolarHBondContact O-N 3.05Å; E1057-Q1061 WeakPolarHBondContact O-CG 3.39Å; E1057-Q1061 PolarHBondContact O-N 2.98Å
1058	R	94.6	Very high	94.1	Very high	53 Å²	53	53.4 Å²	53.4	20%	0.2	29%	0.288	C	S	.	.	H	α-helix	trans	-67.4	-35.8	173.9	-150.8	178.6	-56	133.4	14.2	112.6	P1045 Y1047 D1050 T1054 L1055 S1056	P1045-R1058 PolarHBondContact O-NH1 3.13Å; Y1047-R1058 VanDerWaalsContact CD2-NH1 3.27Å; D1050-R1058 IonicContact OD1-CZ 2.81Å; D1050-R1058 IonicContact OD1-NH1 2.7Å; D1050-R1058 IonicContact OD1-NH2 3.58Å; D1050-R1058 PolarHBondContact OD1-NH2 2.86Å; D1050-R1058 IonicContact OD2-CZ 3.62Å; D1050-R1058 IonicContact OD2-NH1 3.15Å; D1050-R1058 PolarHBondContact OD2-NH1 2.82Å; D1050-R1058 IonicContact OD2-NH2 3.43Å; D1050-R1058 PolarHBondContact OD2-NH2 3.11Å; T1054-R1058 PolarHBondContact O-N 2.91Å; T1054-R1058 PolarHBondContact O-NH2 2.75Å; L1055-R1058 PolarHBondContact O-N 2.99Å; S1056-R1058 PolarHBondContact O-N 2.98Å
1059	I	94.9	Very high	94.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-70.4	-45.4	174.1	-70.4	171.4	0	0	0	110.5	P999 A1024 V1044 L1055 S1056 Q1061 I1062 E1063	P999-I1059 HydrophobicContact CB-CG2 4.02Å; A1024-I1059 HydrophobicContact CB-CG2 4.09Å; V1044-I1059 HydrophobicContact CG2-CD1 4.24Å; V1044-I1059 HydrophobicContact CG2-CG1 3.56Å; L1055-I1059 HydrophobicContact CD1-CD1 3.88Å; L1055-I1059 HydrophobicContact CD1-CG1 4.27Å; L1055-I1059 HydrophobicContact CG-CD1 3.94Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.46Å; L1055-I1059 PolarHBondContact O-N 2.96Å; S1056-I1059 PolarHBondContact O-N 3.44Å; I1059-Q1061 PolarHBondContact O-N 3.27Å; I1059-I1062 WeakPolarHBondContact O-CG1 3.5Å; I1059-I1062 PolarHBondContact O-N 3.16Å; I1059-E1063 HydrophobicContact CG2-CG 4.06Å; I1059-E1063 WeakPolarHBondContact O-CG 3.48Å; I1059-E1063 PolarHBondContact O-N 2.91Å
1060	K	93.3	Very high	94.4	Very high	65 Å²	65	44 Å²	44	28%	0.283	23%	0.228	S	C	.	.	H	α-helix	trans	-53.1	-39.7	176.1	-76	176.7	-176.5	-175.1	0	112.6	E887 S1056 E1057 I1062 E1063 H1064	E887-K1060 IonicContact OE2-NZ 3.9Å; S1056-K1060 WeakPolarHBondContact O-CG 3.39Å; S1056-K1060 PolarHBondContact O-N 3.47Å; E1057-K1060 PolarHBondContact O-N 3.05Å; K1060-I1062 PolarHBondContact O-N 3.39Å; K1060-E1063 PolarHBondContact O-N 2.8Å; K1060-H1064 PolarHBondContact O-CD2 3.49Å; K1060-H1064 VanDerWaalsContact O-CG 3.25Å; K1060-H1064 PolarHBondContact O-N 3.07Å; K1060-H1064 VanDerWaalsContact O-N 3.13Å
1061	Q	89.7	Confident	94.5	Very high	133 Å²	133	42.9 Å²	42.9	62%	0.621	22%	0.222	S	C	*	.	H	α-helix	trans	-59.6	-40.7	176.2	-72.9	176.1	-3.4	0	0	113.1	E1057 I1059	E1057-Q1061 WeakPolarHBondContact O-CG 3.39Å; E1057-Q1061 PolarHBondContact O-N 2.98Å; I1059-Q1061 PolarHBondContact O-N 3.27Å
1062	I	94.3	Very high	94.4	Very high	22 Å²	22	41 Å²	41	11%	0.113	21%	0.209	C	C	.	.	H	α-helix	trans	-77.5	-31.9	176.1	61.4	156.1	0	0	0	112.7	A1024 R1042 V1044 I1059 K1060 H1064 D1065 I1066	A1024-I1062 HydrophobicContact CB-CD1 4Å; A1024-I1062 HydrophobicContact CB-CG1 4.39Å; R1042-I1062 HydrophobicContact CB-CD1 3.93Å; R1042-I1062 HydrophobicContact CG-CB 4.49Å; R1042-I1062 HydrophobicContact CG-CD1 4.24Å; R1042-I1062 HydrophobicContact CG-CG2 4.36Å; R1042-I1062 WeakPolarHBondContact O-CD1 3.3Å; V1044-I1062 HydrophobicContact CG1-CD1 3.76Å; V1044-I1062 HydrophobicContact CG1-CG1 4.04Å; V1044-I1062 HydrophobicContact CG1-CG2 3.81Å; I1059-I1062 WeakPolarHBondContact O-CG1 3.5Å; I1059-I1062 PolarHBondContact O-N 3.16Å; K1060-I1062 PolarHBondContact O-N 3.39Å; I1062-H1064 VanDerWaalsContact C-N 3.3Å; I1062-H1064 PolarHBondContact O-N 3.09Å; I1062-D1065 PolarHBondContact O-N 3.11Å; I1062-I1066 WeakPolarHBondContact O-CG1 3.46Å; I1062-I1066 PolarHBondContact O-N 3.3Å
1063	E	96.3	Very high	94.2	Very high	11 Å²	11	41.4 Å²	41.4	5%	0.051	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-42.4	175.7	-69.6	-171.7	156.3	0	0	111.7	N890 I997 P999 A1024 I1059 K1060 D1065 I1066 Y1067	N890-E1063 PolarHBondContact ND2-OE2 2.88Å; N890-E1063 WeakPolarHBondContact OD1-CB 3.37Å; I997-E1063 HydrophobicContact CD1-CB 3.65Å; I997-E1063 HydrophobicContact CD1-CG 3.65Å; I997-E1063 HydrophobicContact CG1-CG 4.21Å; P999-E1063 WeakPolarHBondContact CB-OE1 3.29Å; A1024-E1063 HydrophobicContact CB-CG 3.64Å; I1059-E1063 HydrophobicContact CG2-CG 4.06Å; I1059-E1063 WeakPolarHBondContact O-CG 3.48Å; I1059-E1063 PolarHBondContact O-N 2.91Å; K1060-E1063 PolarHBondContact O-N 2.8Å; E1063-D1065 PolarHBondContact O-N 2.89Å; E1063-D1065 VanDerWaalsContact O-N 3.15Å; E1063-I1066 PolarHBondContact O-N 3.11Å; E1063-Y1067 VanDerWaalsContact O-CB 3.29Å; E1063-Y1067 WeakPolarHBondContact O-CB 3.48Å; E1063-Y1067 PolarHBondContact O-N 3.07Å
1064	H	94.8	Very high	94.1	Very high	82 Å²	82	38.1 Å²	38.1	38%	0.38	19%	0.186	S	C	.	.	H	α-helix	trans	-62.7	-19.7	-179.7	-64.5	172.2	0	0	0	113.8	T889 N890 A893 K1060 I1062 P1068	T889-H1064 WeakPolarHBondContact CB-NE2 3.38Å; T889-H1064 PolarHBondContact OG1-NE2 2.9Å; N890-H1064 PolarHBondContact OD1-CD2 2.91Å; N890-H1064 VanDerWaalsContact OD1-CD2 3.26Å; A893-H1064 HydrophobicContact CB-CB 3.88Å; K1060-H1064 PolarHBondContact O-CD2 3.49Å; K1060-H1064 VanDerWaalsContact O-CG 3.25Å; K1060-H1064 PolarHBondContact O-N 3.07Å; K1060-H1064 VanDerWaalsContact O-N 3.13Å; I1062-H1064 VanDerWaalsContact C-N 3.3Å; I1062-H1064 PolarHBondContact O-N 3.09Å; H1064-P1068 VanDerWaalsContact O-CD 3.27Å; H1064-P1068 WeakPolarHBondContact O-CD 3.09Å; H1064-P1068 WeakPolarHBondContact O-CG 3.35Å
1065	D	91.6	Very high	94	Very high	67 Å²	67	36.1 Å²	36.1	36%	0.358	18%	0.175	S	C	.	.	H	α-helix	trans	-102.4	-45	175.7	177.9	39.8	0	0	0	112.7	R1042 I1062 E1063 Y1067 P1068 N1069	R1042-D1065 IonicContact CZ-OD2 3.96Å; R1042-D1065 IonicContact NH1-OD2 2.99Å; R1042-D1065 PolarHBondContact NH1-OD2 3.28Å; R1042-D1065 IonicContact NH2-OD2 3.77Å; R1042-D1065 PolarHBondContact NH2-OD2 2.98Å; I1062-D1065 PolarHBondContact O-N 3.11Å; E1063-D1065 PolarHBondContact O-N 2.89Å; E1063-D1065 VanDerWaalsContact O-N 3.15Å; D1065-Y1067 PolarHBondContact O-N 3.31Å; D1065-P1068 WeakPolarHBondContact O-CD 3.35Å; D1065-N1069 PolarHBondContact O-ND2 3.34Å; D1065-N1069 PolarHBondContact OD1-ND2 3.29Å
1066	I	95.8	Very high	93.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-71	-31	-177.7	71.6	170.3	0	0	0	113	I997 A1024 V1026 R1042 I1062 E1063 A1070	I997-I1066 HydrophobicContact CD1-CD1 4.46Å; I997-I1066 HydrophobicContact CD1-CG1 4.13Å; A1024-I1066 HydrophobicContact CB-CD1 3.83Å; A1024-I1066 WeakPolarHBondContact O-CD1 3.27Å; V1026-I1066 HydrophobicContact CG2-CD1 4.03Å; V1026-I1066 HydrophobicContact CG2-CG1 3.89Å; R1042-I1066 HydrophobicContact CB-CD1 4.45Å; R1042-I1066 HydrophobicContact CB-CG2 3.75Å; I1062-I1066 WeakPolarHBondContact O-CG1 3.46Å; I1062-I1066 PolarHBondContact O-N 3.3Å; E1063-I1066 PolarHBondContact O-N 3.11Å; I1066-A1070 WeakPolarHBondContact O-CB 3.35Å; I1066-A1070 PolarHBondContact O-N 3.04Å
1067	Y	97.3	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.1	-52.8	-177.2	-156.9	-180	0	0	0	112.1	N890 L894 C960 L961 A962 V995 I997 V1026 E1063 D1065 N1069 A1070 V1071	N890-Y1067 HydrophobicContact CB-CD1 4.19Å; L894-Y1067 HydrophobicContact CD1-CD1 4.03Å; L894-Y1067 HydrophobicContact CD1-CE1 3.87Å; L894-Y1067 HydrophobicContact CD2-CD1 4.5Å; L894-Y1067 HydrophobicContact CD2-CD2 4.31Å; L894-Y1067 HydrophobicContact CD2-CG 4.23Å; L894-Y1067 HydrophobicContact CG-CD1 4.35Å; C960-Y1067 WeakPolarHBondContact CA-OH 3.47Å; C960-Y1067 HydrophobicContact CB-CE2 4.42Å; C960-Y1067 WeakPolarHBondContact CB-OH 3.08Å; L961-Y1067 VanDerWaalsContact C-OH 3.23Å; L961-Y1067 PolarHBondContact N-OH 3Å; L961-Y1067 WeakPolarHBondContact O-CE1 3.29Å; L961-Y1067 PolarHBondContact O-OH 3.48Å; A962-Y1067 HydrophobicContact CB-CE1 4.07Å; V995-Y1067 HydrophobicContact CB-CE2 4.4Å; V995-Y1067 HydrophobicContact CG1-CE2 3.8Å; V995-Y1067 PolarHBondContact O-OH 2.9Å; V995-Y1067 VanDerWaalsContact O-OH 3.09Å; I997-Y1067 HydrophobicContact CB-CD1 3.75Å; I997-Y1067 HydrophobicContact CB-CD2 4.45Å; I997-Y1067 HydrophobicContact CB-CE1 3.77Å; I997-Y1067 HydrophobicContact CB-CG 4.08Å; I997-Y1067 HydrophobicContact CD1-CD1 4.05Å; I997-Y1067 HydrophobicContact CD1-CG 3.95Å; I997-Y1067 HydrophobicContact CG2-CD1 3.47Å; I997-Y1067 VanDerWaalsContact CG2-CD1 3.47Å; I997-Y1067 HydrophobicContact CG2-CE1 3.33Å; I997-Y1067 HydrophobicContact CG2-CG 4.3Å; V1026-Y1067 HydrophobicContact CG1-CD2 3.88Å; V1026-Y1067 HydrophobicContact CG1-CE2 4.09Å; V1026-Y1067 HydrophobicContact CG2-CD2 4.11Å; V1026-Y1067 HydrophobicContact CG2-CG 4.42Å; E1063-Y1067 VanDerWaalsContact O-CB 3.29Å; E1063-Y1067 WeakPolarHBondContact O-CB 3.48Å; E1063-Y1067 PolarHBondContact O-N 3.07Å; D1065-Y1067 PolarHBondContact O-N 3.31Å; Y1067-N1069 VanDerWaalsContact C-N 3.32Å; Y1067-N1069 PolarHBondContact O-N 3.23Å; Y1067-A1070 PolarHBondContact O-N 3.25Å; Y1067-A1070 VanDerWaalsContact O-N 3.16Å; Y1067-V1071 HydrophobicContact CD2-CG2 3.68Å; Y1067-V1071 HydrophobicContact CE2-CG2 3.6Å; Y1067-V1071 WeakPolarHBondContact O-CG2 3.33Å; Y1067-V1071 PolarHBondContact O-N 2.8Å
1068	P	96.2	Very high	92.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-39.8	-178.8	-24.4	38	0	0	0	113.1	A893 L894 Y897 Y905 H1064 D1065 V1071 D1072	A893-P1068 HydrophobicContact CB-CG 4.14Å; L894-P1068 HydrophobicContact CD2-CB 4.33Å; L894-P1068 HydrophobicContact CD2-CG 4.24Å; Y897-P1068 VanDerWaalsContact CB-CB 3.49Å; Y897-P1068 HydrophobicContact CD1-CB 4.02Å; Y897-P1068 HydrophobicContact CD2-CB 3.52Å; Y897-P1068 HydrophobicContact CE2-CB 4.17Å; Y897-P1068 HydrophobicContact CG-CB 3.41Å; Y897-P1068 VanDerWaalsContact CG-CB 3.41Å; Y905-P1068 WeakPolarHBondContact OH-CA 3.28Å; Y905-P1068 WeakPolarHBondContact OH-CB 3.49Å; H1064-P1068 VanDerWaalsContact O-CD 3.27Å; H1064-P1068 WeakPolarHBondContact O-CD 3.09Å; H1064-P1068 WeakPolarHBondContact O-CG 3.35Å; D1065-P1068 WeakPolarHBondContact O-CD 3.35Å; P1068-V1071 PolarHBondContact O-N 3.5Å; P1068-D1072 WeakPolarHBondContact O-CB 3.47Å; P1068-D1072 PolarHBondContact O-N 3.39Å
1069	N	92.8	Very high	92.6	Very high	51 Å²	51	32.1 Å²	32.1	27%	0.273	16%	0.157	S	C	.	.	H	α-helix	trans	-66.7	-35.3	176.1	-76.9	-65.7	0	0	0	113.2	Y897 D1065 Y1067 K1073	Y897-N1069 PolarHBondContact OH-OD1 3.35Å; D1065-N1069 PolarHBondContact O-ND2 3.34Å; D1065-N1069 PolarHBondContact OD1-ND2 3.29Å; Y1067-N1069 VanDerWaalsContact C-N 3.32Å; Y1067-N1069 PolarHBondContact O-N 3.23Å; N1069-K1073 WeakPolarHBondContact O-CD 3.36Å; N1069-K1073 VanDerWaalsContact O-CG 3.26Å; N1069-K1073 WeakPolarHBondContact O-CG 3.04Å; N1069-K1073 PolarHBondContact O-N 3.37Å
1070	A	95.6	Very high	92.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-70	-40.9	175.8	0	0	0	0	0	112.1	V1026 I1039 I1066 Y1067 D1072 K1073 V1074	V1026-A1070 HydrophobicContact CB-CB 3.78Å; V1026-A1070 HydrophobicContact CG1-CB 3.53Å; V1026-A1070 HydrophobicContact CG2-CB 3.96Å; I1039-A1070 HydrophobicContact CB-CB 4.45Å; I1039-A1070 HydrophobicContact CG2-CB 3.74Å; I1066-A1070 WeakPolarHBondContact O-CB 3.35Å; I1066-A1070 PolarHBondContact O-N 3.04Å; Y1067-A1070 PolarHBondContact O-N 3.25Å; Y1067-A1070 VanDerWaalsContact O-N 3.16Å; A1070-D1072 VanDerWaalsContact C-N 3.34Å; A1070-K1073 PolarHBondContact O-N 3.13Å; A1070-V1074 WeakPolarHBondContact O-CG2 3.3Å; A1070-V1074 PolarHBondContact O-N 3.12Å; A1070-V1074 VanDerWaalsContact O-N 3.13Å
1071	V	96.1	Very high	92.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-40.6	173.7	175.9	0	0	0	0	110.6	V880 L894 Y905 C960 V995 Y1067 P1068 K1073 V1074 A1075	V880-V1071 HydrophobicContact CG2-CG1 4.28Å; L894-V1071 HydrophobicContact CD2-CB 4.24Å; L894-V1071 HydrophobicContact CD2-CG2 3.85Å; Y905-V1071 HydrophobicContact CD1-CB 4.49Å; Y905-V1071 HydrophobicContact CD1-CG1 3.82Å; Y905-V1071 HydrophobicContact CD2-CG1 4.13Å; Y905-V1071 HydrophobicContact CE1-CB 4.07Å; Y905-V1071 HydrophobicContact CE1-CG1 3.81Å; Y905-V1071 HydrophobicContact CE2-CG1 4.11Å; Y905-V1071 HydrophobicContact CG-CG1 3.98Å; C960-V1071 WeakPolarHBondContact SG-CG2 3.43Å; V995-V1071 HydrophobicContact CG1-CG2 4.31Å; Y1067-V1071 HydrophobicContact CD2-CG2 3.68Å; Y1067-V1071 HydrophobicContact CE2-CG2 3.6Å; Y1067-V1071 WeakPolarHBondContact O-CG2 3.33Å; Y1067-V1071 PolarHBondContact O-N 2.8Å; P1068-V1071 PolarHBondContact O-N 3.5Å; V1071-K1073 PolarHBondContact O-N 3.45Å; V1071-V1074 PolarHBondContact O-N 3.25Å; V1071-A1075 WeakPolarHBondContact O-CB 3.22Å; V1071-A1075 PolarHBondContact O-N 3.19Å
1072	D	92.1	Very high	92	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-45.4	175.3	-160.6	68.2	0	0	0	112.2	Y897 S903 S904 Y905 P1068 A1070 V1074 A1075 R1076	Y897-D1072 HydrophobicContact CE1-CB 3.9Å; S903-D1072 WeakPolarHBondContact CA-OD1 3.49Å; S904-D1072 WeakPolarHBondContact CB-OD1 3.23Å; S904-D1072 PolarHBondContact N-OD1 2.76Å; S904-D1072 PolarHBondContact OG-O 3.07Å; S904-D1072 VanDerWaalsContact OG-O 3.1Å; S904-D1072 PolarHBondContact OG-OD1 3.43Å; Y905-D1072 HydrophobicContact CD1-CB 4.29Å; Y905-D1072 HydrophobicContact CE1-CB 4.02Å; P1068-D1072 WeakPolarHBondContact O-CB 3.47Å; P1068-D1072 PolarHBondContact O-N 3.39Å; A1070-D1072 VanDerWaalsContact C-N 3.34Å; D1072-V1074 VanDerWaalsContact C-N 3.3Å; D1072-V1074 PolarHBondContact O-N 2.97Å; D1072-A1075 PolarHBondContact O-N 2.89Å; D1072-R1076 WeakPolarHBondContact O-CB 2.83Å; D1072-R1076 WeakPolarHBondContact O-CG 3.3Å; D1072-R1076 PolarHBondContact O-N 3.27Å; D1072-R1076 IonicContact OD2-CZ 2.87Å; D1072-R1076 IonicContact OD2-NE 2.9Å; D1072-R1076 PolarHBondContact OD2-NE 3.35Å; D1072-R1076 IonicContact OD2-NH2 2.7Å
1073	K	90.7	Very high	91.5	Very high	76 Å²	76	39.4 Å²	39.4	33%	0.33	19%	0.192	S	C	.	.	H	α-helix	trans	-60.8	-35.8	175.3	-73.3	165.6	177.6	-178.2	0	113	N1069 A1070 V1071 G1077 F1078 V1079 W1089	N1069-K1073 WeakPolarHBondContact O-CD 3.36Å; N1069-K1073 VanDerWaalsContact O-CG 3.26Å; N1069-K1073 WeakPolarHBondContact O-CG 3.04Å; N1069-K1073 PolarHBondContact O-N 3.37Å; A1070-K1073 PolarHBondContact O-N 3.13Å; V1071-K1073 PolarHBondContact O-N 3.45Å; K1073-G1077 PolarHBondContact O-N 3.11Å; K1073-F1078 HydrophobicContact CB-CB 4.47Å; K1073-F1078 WeakPolarHBondContact O-CA 3.39Å; K1073-F1078 WeakPolarHBondContact O-CB 3.26Å; K1073-F1078 PolarHBondContact O-N 3.41Å; K1073-V1079 HydrophobicContact CB-CG2 4.06Å; K1073-V1079 PolarHBondContact O-N 2.89Å; K1073-W1089 HydrophobicContact CD-CH2 4.24Å; K1073-W1089 HydrophobicContact CD-CZ3 4.01Å
1074	V	92.8	Very high	90.8	Very high	14 Å²	14	42.1 Å²	42.1	9%	0.085	21%	0.212	C	C	.	.	H	α-helix	trans	-72.5	-42	174.3	175.1	0	0	0	0	111.1	L958 V995 F1028 I1039 A1070 V1071 D1072 G1077 V1079	L958-V1074 HydrophobicContact CD1-CG1 4.11Å; L958-V1074 HydrophobicContact CD2-CG1 3.9Å; V995-V1074 HydrophobicContact CG2-CG1 4.45Å; V995-V1074 HydrophobicContact CG2-CG2 4.35Å; F1028-V1074 HydrophobicContact CE1-CG1 4Å; F1028-V1074 HydrophobicContact CE1-CG2 4.09Å; F1028-V1074 HydrophobicContact CZ-CG1 4.17Å; F1028-V1074 HydrophobicContact CZ-CG2 3.74Å; I1039-V1074 HydrophobicContact CD1-CG2 3.9Å; I1039-V1074 HydrophobicContact CG1-CG2 4.37Å; I1039-V1074 HydrophobicContact CG2-CG2 4.18Å; A1070-V1074 WeakPolarHBondContact O-CG2 3.3Å; A1070-V1074 PolarHBondContact O-N 3.12Å; A1070-V1074 VanDerWaalsContact O-N 3.13Å; V1071-V1074 PolarHBondContact O-N 3.25Å; D1072-V1074 VanDerWaalsContact C-N 3.3Å; D1072-V1074 PolarHBondContact O-N 2.97Å; V1074-G1077 WeakPolarHBondContact O-CA 3.39Å; V1074-G1077 PolarHBondContact O-N 3.11Å; V1074-V1079 HydrophobicContact CG2-CB 4.26Å
1075	A	91.8	Very high	90.2	Very high	12 Å²	12	41.6 Å²	41.6	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-36.9	179.6	0	0	0	0	0	113.4	K878 S904 Y905 L958 V1071 D1072 G1077	K878-A1075 HydrophobicContact CB-CB 3.92Å; K878-A1075 HydrophobicContact CG-CB 3.84Å; S904-A1075 VanDerWaalsContact OG-CB 3.3Å; S904-A1075 WeakPolarHBondContact OG-CB 3.37Å; Y905-A1075 HydrophobicContact CD1-CB 4.43Å; L958-A1075 HydrophobicContact CD1-CB 3.92Å; V1071-A1075 WeakPolarHBondContact O-CB 3.22Å; V1071-A1075 PolarHBondContact O-N 3.19Å; D1072-A1075 PolarHBondContact O-N 2.89Å; A1075-G1077 PolarHBondContact O-N 2.88Å
1076	R	84.7	Confident	90	Very high	42 Å²	42	44.6 Å²	44.6	16%	0.158	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15	167.2	-68.1	-179.8	-176	-90.2	-4.2	113.9	C902 S904 D1072 F1078	C902-R1076 PolarHBondContact O-NH2 2.91Å; S904-R1076 WeakPolarHBondContact OG-CG 3.41Å; D1072-R1076 WeakPolarHBondContact O-CB 2.83Å; D1072-R1076 WeakPolarHBondContact O-CG 3.3Å; D1072-R1076 PolarHBondContact O-N 3.27Å; D1072-R1076 IonicContact OD2-CZ 2.87Å; D1072-R1076 IonicContact OD2-NE 2.9Å; D1072-R1076 PolarHBondContact OD2-NE 3.35Å; D1072-R1076 IonicContact OD2-NH2 2.7Å; R1076-F1078 VanDerWaalsContact C-N 3.29Å; R1076-F1078 HydrophobicContact CB-CD1 4.24Å; R1076-F1078 HydrophobicContact CB-CD2 3.91Å; R1076-F1078 HydrophobicContact CB-CE1 4.38Å; R1076-F1078 HydrophobicContact CB-CE2 4.09Å; R1076-F1078 HydrophobicContact CB-CG 4Å; R1076-F1078 HydrophobicContact CB-CZ 4.32Å; R1076-F1078 HydrophobicContact CG-CD2 4.49Å; R1076-F1078 HydrophobicContact CG-CE2 4.33Å
1077	G	87.4	Confident	89.7	Confident	16 Å²	16	46 Å²	46	17%	0.165	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	13.1	-173.7	0	0	0	0	0	114.5	K1073 V1074 A1075 V1079 R1080 T1090	K1073-G1077 PolarHBondContact O-N 3.11Å; V1074-G1077 WeakPolarHBondContact O-CA 3.39Å; V1074-G1077 PolarHBondContact O-N 3.11Å; A1075-G1077 PolarHBondContact O-N 2.88Å; G1077-V1079 VanDerWaalsContact C-N 3.29Å; G1077-R1080 PolarHBondContact O-NE 2.97Å; G1077-R1080 PolarHBondContact O-NH2 3Å; G1077-R1080 VanDerWaalsContact O-NH2 3.09Å; G1077-T1090 PolarHBondContact O-OG1 2.63Å
1078	F	85.9	Confident	89.3	Confident	67 Å²	67	48.7 Å²	48.7	29%	0.294	25%	0.249	S	C	.	.	S	Bend	trans	-68.1	-27.6	174.2	-65	-24.2	0	0	0	112.6	K1073 R1076 W1089 T1090	K1073-F1078 HydrophobicContact CB-CB 4.47Å; K1073-F1078 WeakPolarHBondContact O-CA 3.39Å; K1073-F1078 WeakPolarHBondContact O-CB 3.26Å; K1073-F1078 PolarHBondContact O-N 3.41Å; R1076-F1078 VanDerWaalsContact C-N 3.29Å; R1076-F1078 HydrophobicContact CB-CD1 4.24Å; R1076-F1078 HydrophobicContact CB-CD2 3.91Å; R1076-F1078 HydrophobicContact CB-CE1 4.38Å; R1076-F1078 HydrophobicContact CB-CE2 4.09Å; R1076-F1078 HydrophobicContact CB-CG 4Å; R1076-F1078 HydrophobicContact CB-CZ 4.32Å; R1076-F1078 HydrophobicContact CG-CD2 4.49Å; R1076-F1078 HydrophobicContact CG-CE2 4.33Å; F1078-W1089 CarbonylContact O-C 3.55Å; F1078-W1089 VanDerWaalsContact O-CA 3.29Å; F1078-W1089 WeakPolarHBondContact O-CA 3.47Å; F1078-T1090 WeakPolarHBondContact CA-OG1 3.44Å; F1078-T1090 PolarHBondContact O-N 2.9Å
1079	V	90.2	Very high	88.8	Confident	1 Å²	1	54 Å²	54	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.3	175	-172.8	0	0	0	0	110.4	F1028 I1039 K1073 V1074 G1077 V1087 C1088 W1089	F1028-V1079 HydrophobicContact CE2-CG1 4.17Å; I1039-V1079 HydrophobicContact CG1-CG1 4.11Å; I1039-V1079 HydrophobicContact CG2-CB 4.32Å; I1039-V1079 HydrophobicContact CG2-CG1 4.15Å; I1039-V1079 HydrophobicContact CG2-CG2 4.33Å; K1073-V1079 HydrophobicContact CB-CG2 4.06Å; K1073-V1079 PolarHBondContact O-N 2.89Å; V1074-V1079 HydrophobicContact CG2-CB 4.26Å; G1077-V1079 VanDerWaalsContact C-N 3.29Å; V1079-V1087 HydrophobicContact CG1-CB 3.87Å; V1079-V1087 HydrophobicContact CG1-CG1 4.23Å; V1079-V1087 HydrophobicContact CG1-CG2 4.18Å; V1079-C1088 WeakPolarHBondContact CA-O 3.39Å; V1079-W1089 HydrophobicContact CG2-CD2 3.6Å; V1079-W1089 HydrophobicContact CG2-CE3 3.38Å; V1079-W1089 HydrophobicContact CG2-CG 4.42Å; V1079-W1089 HydrophobicContact CG2-CH2 3.58Å; V1079-W1089 HydrophobicContact CG2-CZ2 3.8Å; V1079-W1089 HydrophobicContact CG2-CZ3 3.37Å
1080	R	90.5	Very high	87.8	Confident	134 Å²	134	54.1 Å²	54.1	51%	0.506	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.1	-178.9	-51	179.6	-151	-176	8.5	110.6	G1077 I1082 V1087 C1088	G1077-R1080 PolarHBondContact O-NE 2.97Å; G1077-R1080 PolarHBondContact O-NH2 3Å; G1077-R1080 VanDerWaalsContact O-NH2 3.09Å; R1080-I1082 PolarHBondContact O-N 3.27Å; R1080-V1087 CarbonylContact O-C 3.47Å; R1080-V1087 VanDerWaalsContact O-CA 3.31Å; R1080-V1087 WeakPolarHBondContact O-CA 3.44Å; R1080-C1088 PolarHBondContact N-O 2.96Å; R1080-C1088 PolarHBondContact O-N 2.99Å
1081	R	89.6	Confident	85.5	Confident	68 Å²	68	65.8 Å²	65.8	26%	0.257	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129	170.1	-177.5	-171.7	179.7	-85.4	8	110	V991 F1028 E1030	V991-R1081 VanDerWaalsContact CG1-NH1 3.31Å; F1028-R1081 HydrophobicContact CD2-CB 4.02Å; F1028-R1081 HydrophobicContact CE2-CB 4.14Å; F1028-R1081 HydrophobicContact CG-CB 4.27Å; E1030-R1081 VanDerWaalsContact CD-NE 3.29Å; E1030-R1081 IonicContact OE1-CZ 3.45Å; E1030-R1081 IonicContact OE1-NE 3.1Å; E1030-R1081 PolarHBondContact OE1-NE 2.82Å; E1030-R1081 IonicContact OE1-NH2 3.37Å; E1030-R1081 PolarHBondContact OE1-NH2 2.96Å; E1030-R1081 IonicContact OE2-CZ 3.33Å; E1030-R1081 IonicContact OE2-NE 2.65Å; E1030-R1081 PolarHBondContact OE2-NE 2.96Å; E1030-R1081 VanDerWaalsContact OE2-NE 3.1Å; E1030-R1081 IonicContact OE2-NH2 2.72Å; E1030-R1081 PolarHBondContact OE2-NH2 3.05Å
1082	I	85.9	Confident	85	Confident	111 Å²	111	69 Å²	69	57%	0.569	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	-45.2	175.7	-13.7	177.2	0	0	0	111.5	R1080 K1086 V1087 C1088	R1080-I1082 PolarHBondContact O-N 3.27Å; I1082-K1086 HydrophobicContact CD1-CB 4.48Å; I1082-K1086 HydrophobicContact CG1-CB 4.37Å; I1082-K1086 PolarHBondContact N-O 3.4Å; I1082-V1087 VanDerWaalsContact CG1-C 3.49Å; I1082-C1088 HydrophobicContact CD1-CB 3.72Å; I1082-C1088 HydrophobicContact CG1-CB 3.76Å
1083	S	84.2	Confident	84.6	Confident	61 Å²	61	72.2 Å²	72.2	43%	0.427	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	178	-179.3	51	0	0	0	0	108.2	N1085 K1086	S1083-N1085 PolarHBondContact O-N 3.27Å; S1083-K1086 PolarHBondContact O-N 3.41Å; S1083-K1086 VanDerWaalsContact O-N 3.14Å
1084	S	79.7	Confident	84.3	Confident	67 Å²	67	71.9 Å²	71.9	47%	0.469	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	129.2	178.9	-153.5	0	0	0	0	110	K1086	S1084-K1086 PolarHBondContact O-N 2.96Å
1085	N	82.3	Confident	83.8	Confident	71 Å²	71	75.4 Å²	75.4	38%	0.38	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	16.9	173.4	-41.4	10.4	0	0	0	113.2	E1030 S1035 S1083	E1030-N1085 PolarHBondContact OE1-N 3.34Å; S1035-N1085 WeakPolarHBondContact O-CB 3.47Å; S1035-N1085 PolarHBondContact O-ND2 3.28Å; S1035-N1085 PolarHBondContact O-OD1 3.01Å; S1083-N1085 PolarHBondContact O-N 3.27Å
1086	K	88.3	Confident	83.3	Confident	131 Å²	131	79.3 Å²	79.3	57%	0.57	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.2	180	-64.9	-65.5	-177.6	-177.7	0	112.9	I1082 S1083 S1084	I1082-K1086 HydrophobicContact CD1-CB 4.48Å; I1082-K1086 HydrophobicContact CG1-CB 4.37Å; I1082-K1086 PolarHBondContact N-O 3.4Å; S1083-K1086 PolarHBondContact O-N 3.41Å; S1083-K1086 VanDerWaalsContact O-N 3.14Å; S1084-K1086 PolarHBondContact O-N 2.96Å
1087	V	89.7	Confident	83.2	Confident	31 Å²	31	81.8 Å²	81.8	19%	0.188	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.9	173.9	-55.7	0	0	0	0	111.6	F1028 I1038 V1079 R1080 I1082	F1028-V1087 HydrophobicContact CD2-CG1 3.62Å; F1028-V1087 HydrophobicContact CE2-CG1 3.59Å; I1038-V1087 VanDerWaalsContact O-CG2 3.28Å; I1038-V1087 WeakPolarHBondContact O-CG2 3.22Å; V1079-V1087 HydrophobicContact CG1-CB 3.87Å; V1079-V1087 HydrophobicContact CG1-CG1 4.23Å; V1079-V1087 HydrophobicContact CG1-CG2 4.18Å; R1080-V1087 CarbonylContact O-C 3.47Å; R1080-V1087 VanDerWaalsContact O-CA 3.31Å; R1080-V1087 WeakPolarHBondContact O-CA 3.44Å; I1082-V1087 VanDerWaalsContact CG1-C 3.49Å
1088	C	88.3	Confident	82.9	Confident	58 Å²	58	86.5 Å²	86.5	39%	0.392	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.3	167.7	-174.5	0	0	0	0	108.3	V1079 R1080 I1082	V1079-C1088 WeakPolarHBondContact CA-O 3.39Å; R1080-C1088 PolarHBondContact N-O 2.96Å; R1080-C1088 PolarHBondContact O-N 2.99Å; I1082-C1088 HydrophobicContact CD1-CB 3.72Å; I1082-C1088 HydrophobicContact CG1-CB 3.76Å
1089	W	85.2	Confident	82.6	Confident	111 Å²	111	88 Å²	88	42%	0.42	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.3	169.1	-66.8	76	0	0	0	108.4	I1039 K1073 F1078 V1079	I1039-W1089 WeakPolarHBondContact O-CH2 3.32Å; I1039-W1089 WeakPolarHBondContact O-CZ2 3.24Å; K1073-W1089 HydrophobicContact CD-CH2 4.24Å; K1073-W1089 HydrophobicContact CD-CZ3 4.01Å; F1078-W1089 CarbonylContact O-C 3.55Å; F1078-W1089 VanDerWaalsContact O-CA 3.29Å; F1078-W1089 WeakPolarHBondContact O-CA 3.47Å; V1079-W1089 HydrophobicContact CG2-CD2 3.6Å; V1079-W1089 HydrophobicContact CG2-CE3 3.38Å; V1079-W1089 HydrophobicContact CG2-CG 4.42Å; V1079-W1089 HydrophobicContact CG2-CH2 3.58Å; V1079-W1089 HydrophobicContact CG2-CZ2 3.8Å; V1079-W1089 HydrophobicContact CG2-CZ3 3.37Å
1090	T	73.2	Confident	82	Confident	54 Å²	54	95.3 Å²	95.3	33%	0.331	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-102.5	118.5	166.7	62.3	0	0	0	0	108.2	G1077 F1078	G1077-T1090 PolarHBondContact O-OG1 2.63Å; F1078-T1090 WeakPolarHBondContact CA-OG1 3.44Å; F1078-T1090 PolarHBondContact O-N 2.9Å
1091	H	47.2	Very low	81.2	Confident	246 Å²	246	91.7 Å²	91.7	100%	1.139	47%	0.467	S	S	*	.			trans	-77	0	170.4	-65.3	-58.7	0	0	0	110.8

Retrieved 1,091 of 1,091 residues in 2377.7 ms (Link to these results)

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