A0A3Q0KS99_SCHMA Loading...

Smp_167190

AlphaFold DB , UniProt , Accession A0A3Q0KS99, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,154 aa.

						>A0A3Q0KS99_SCHMA|A0A3Q0KS99
MKTLGLYHFTIQCFNENRNYSITNKKMCIYFNLNLILILFLITFNLLSNSFLSLCSDLPKSTKLTTRLNTLNQFKHCCDDGLIAAHSLDLPILTSQTSGTNTETCAEILQFGTSVVEDDAENLSSNHFWCQRVQHFCCLSARRLKACQIGSDHIIKYNSNNCSTNEFNHLIDKRLTPIARECCLCQLIWRKSLLNENSLFKDKQESVQSACPNGNCCSSLNKILMEDNTTSSKSPMIMSDDPSVQKIITEYLTTTEEIAMLMTTSSTPVTTEKSVATTTSTTTTEKQITDDEDDFSFNLVGGIDLPDIWEEADIDNISLTNKATNNHTTDSVTTSTPSTTLSSKTDQTTIATSIPSVASTPGTTVTATSTTTSSPTSTSTLANVDHTITTEVSSETTPTSLKEVSHLETIQCQDNFVWDSDQQLCVRLVFSCPVGMYLNKETRKCVLESKDKSDCPIGYKLSSTRDECVDINECIEGLSSGILPCKGEGTRCENLPGSYNCSCISGFSMASDGTCVDINECTSTYNPCLVGQQCRNLIGSYQCLREVPCGYGYVLNPRTQQCEDVDECKVDPLICGKGMACINVRGGHKCVDYHCPGNAKRNKVGDCVPCPTGYVYNTSSGICDDIDECQQPNKCRSWEKCVNERGFFLCEAKLNCAHGTRINTNGTECLDIDECLEKSFHCDDGKICVNTLGSYYCTESNCTTTQIYDYQERKCTCEKGYRILENECVDIDECSENKHNCTYGSTCMNHIGGFRCIRIEECPSGFKRKSQFSRCEDINECELNIDSCGAHTFCKNTIGSYQCICKHGYKNINETDCTDIDECSIFTPAESCPDSRARCVNTQGSYVCVCPEGFIWLGYPDLKCKDVNECTEKPDICGNEHQCVNMIGGYRCQCASGYKNGENEKSCVDIDECNVKPYNNDINYMSPCPYSLCINQPGSYQCQCPDGFRLGRGNRCYDIDECHEMENVCKSNNPYAPSQACINLMGSYRCVSDETPPNYVKHRLGNGFRYELKDNTKCSNIGEKCIQRMDDLFIELDQDAHAPQTLARIDTKGLPTGVVRIDLSKHYAYQAYSGKQIPVSTAFRLQPSRSHIGSVEVRLLRKLPAPMNILISVHVTISKGDVEIAHAITKLYLFVTQSFSERLRTSRISQRGII
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.5	Very low	30.9	Very low	242 Å²	242	161.2 Å²	161.2	100%	1.192	83%	0.825	S	S	*	*				0	66.5	0	-61	174.5	-177.5	0	0	107.9
2	K	32.4	Very low	30.8	Very low	190 Å²	190	163 Å²	163	83%	0.826	83%	0.828	S	S	*	*			trans	-152.6	108.1	-154.3	-73.9	-177.1	178.3	-175.6	0	106.2
3	T	34.5	Very low	30.4	Very low	133 Å²	133	159 Å²	159	82%	0.816	82%	0.822	S	S	*	*				83.4	112.7	85.4	51.4	0	0	0	0	114
4	L	34.7	Very low	30.4	Very low	181 Å²	181	162.6 Å²	162.6	95%	0.948	83%	0.829	S	S	*	*			trans	-88.8	156	159.6	-73.7	85.5	0	0	0	110
5	G	33.6	Very low	30.7	Very low	73 Å²	73	161.7 Å²	161.7	75%	0.753	83%	0.827	S	S	*	*			trans	-151.9	157.6	169.9	0	0	0	0	0	111.2
6	L	33.1	Very low	31	Very low	143 Å²	143	161.1 Å²	161.1	75%	0.749	82%	0.82	S	S	*	*			trans	-119.3	155.3	178.2	-59.2	85.9	0	0	0	109.7
7	Y	30.5	Very low	31.3	Very low	198 Å²	198	158.1 Å²	158.1	78%	0.776	81%	0.806	S	S	*	*				162.4	116.1	109	-91.6	-71.4	0	0	0	114.1
8	H	29	Very low	31.6	Very low	152 Å²	152	160.6 Å²	160.6	70%	0.704	80%	0.804	S	S	*	*				35.7	118.3	121.1	-167.7	-74.9	0	0	0	119.7
9	F	28.8	Very low	31.6	Very low	205 Å²	205	158.9 Å²	158.9	90%	0.899	80%	0.797	S	S	*	*			trans	-128.8	153.2	161.3	-113.3	-84.4	0	0	0	113.9
10	T	28.3	Very low	31.7	Very low	103 Å²	103	162.9 Å²	162.9	63%	0.632	80%	0.804	S	S	*	*			trans	-108.3	156.5	-166.2	44.7	0	0	0	0	114.9
11	I	27.5	Very low	31.6	Very low	153 Å²	153	159.9 Å²	159.9	79%	0.785	80%	0.799	S	S	*	*			trans	-57.9	135.2	173.5	-58.3	161.2	0	0	0	111.9
12	Q	29.2	Very low	31.9	Very low	183 Å²	183	155.5 Å²	155.5	86%	0.855	78%	0.779	S	S	*	*			trans	-151.9	139.6	146.7	-116.6	170.3	9.1	0	0	111.3
13	C	26.3	Very low	32	Very low	111 Å²	111	151.8 Å²	151.8	75%	0.75	77%	0.773	S	S	*	*			trans	-113.9	146	177	-63.1	0	0	0	0	109.7
14	F	30.1	Very low	32	Very low	209 Å²	209	151.9 Å²	151.9	92%	0.917	77%	0.768	S	S	*	*			trans	-139.7	151	164.3	-111.2	-88.8	0	0	0	110.7
15	N	35.3	Very low	31.7	Very low	150 Å²	150	152.3 Å²	152.3	80%	0.802	76%	0.762	S	S	*	*			trans	-150.7	124.1	-169.6	176.8	20.2	0	0	0	111.7
16	E	35.4	Very low	31.7	Very low	152 Å²	152	158.9 Å²	158.9	71%	0.71	77%	0.77	S	S	*	*			trans	-157.6	146.9	166.4	-104.7	-141.6	-112.2	0	0	106.9
17	N	35.4	Very low	31.5	Very low	109 Å²	109	160.6 Å²	160.6	58%	0.583	78%	0.777	S	S	*	*			cis	-170.1	171.9	-13.4	-138	-7.9	0	0	0	106.4
18	R	37.2	Very low	31.3	Very low	204 Å²	204	157 Å²	157	77%	0.77	78%	0.778	S	S	*	*			cis	-143.3	151.4	16.9	-61.2	-179.9	176.2	151.3	4.1	112.2
19	N	32	Very low	31.5	Very low	128 Å²	128	156.8 Å²	156.8	68%	0.684	78%	0.781	S	S	*	*			trans	39.3	108.3	141.9	-56.6	-9.1	0	0	0	119.7
20	Y	33.6	Very low	31.4	Very low	239 Å²	239	157.8 Å²	157.8	94%	0.937	78%	0.781	S	S	*	*				-154.7	166.2	90.3	-109.2	-79.8	0	0	0	109.7
21	S	29.8	Very low	31.7	Very low	99 Å²	99	161.7 Å²	161.7	69%	0.692	79%	0.789	S	S	*	*			trans	-142.7	151.4	-168.1	65.5	0	0	0	0	113.4
22	I	32.5	Very low	32.2	Very low	150 Å²	150	161 Å²	161	77%	0.769	79%	0.787	S	S	*	*				176.6	104.4	123.5	-88.5	158	0	0	0	111.3
23	T	35.3	Very low	32.5	Very low	113 Å²	113	157.9 Å²	157.9	69%	0.693	78%	0.776	S	S	*	*			trans	48.2	132.4	146.9	70.9	0	0	0	0	124.4
24	N	33.7	Very low	33.1	Very low	135 Å²	135	157.9 Å²	157.9	72%	0.722	77%	0.768	S	S	*	*			trans	95	99.6	136.7	-74.8	-37.8	0	0	0	122.1
25	K	30	Very low	33.6	Very low	190 Å²	190	153.6 Å²	153.6	83%	0.826	75%	0.754	S	S	*	*			trans	68.3	83.5	134	-60.3	-175.2	-179.8	-176.9	0	119.2
26	K	32.3	Very low	34.1	Very low	210 Å²	210	152.2 Å²	152.2	91%	0.913	75%	0.746	S	S	*	*				-150.3	152.5	128.3	-109	165.5	-175.3	179.9	0	109.5
27	M	28.8	Very low	34.5	Very low	180 Å²	180	149.4 Å²	149.4	89%	0.887	74%	0.735	S	S	*	*			trans	-80.5	122.8	-176.7	-69.9	-140	-57.5	0	0	111.7
28	C	26.2	Very low	35.2	Very low	121 Å²	121	147.8 Å²	147.8	82%	0.818	73%	0.726	S	S	*	*			trans	-128.8	109.8	156.4	-70	0	0	0	0	107.1
29	I	34.2	Very low	35.4	Very low	149 Å²	149	143.3 Å²	143.3	76%	0.764	72%	0.716	S	S	*	*			trans	-123.6	85.5	161	-60	-177.6	0	0	0	106.6	F31	I29-F31 HydrophobicContact CG2-CB 4.29Å; I29-F31 PolarHBondContact O-N 3.13Å
30	Y	26.8	Very low	36	Very low	225 Å²	225	143.5 Å²	143.5	88%	0.882	71%	0.711	S	S	*	*			trans	-72.8	112.1	151.5	-108.7	-100.9	0	0	0	106.3
31	F	33.5	Very low	36.5	Very low	185 Å²	185	136.5 Å²	136.5	81%	0.811	69%	0.69	S	S	*	*			trans	-147	139.1	158.1	-117.4	-83	0	0	0	108.9	I29 L33	I29-F31 HydrophobicContact CG2-CB 4.29Å; I29-F31 PolarHBondContact O-N 3.13Å; F31-L33 PolarHBondContact O-N 3.02Å; F31-L33 VanDerWaalsContact O-N 3.12Å
32	N	37.8	Very low	37.2	Very low	138 Å²	138	134.7 Å²	134.7	74%	0.738	67%	0.672	S	S	*	*			trans	-63.7	112.2	-165.9	-80.2	-55.7	0	0	0	112.6	N34	N32-N34 PolarHBondContact O-N 2.73Å
33	L	36.4	Very low	37.5	Very low	119 Å²	119	131.6 Å²	131.6	62%	0.623	66%	0.66	S	S	*	*			trans	-72.7	-6.6	170.1	-99.1	113.8	0	0	0	113.6	F31 L35 I36 L37	F31-L33 PolarHBondContact O-N 3.02Å; F31-L33 VanDerWaalsContact O-N 3.12Å; L33-L35 PolarHBondContact O-N 2.94Å; L33-I36 PolarHBondContact O-N 3.38Å; L33-L37 WeakPolarHBondContact O-CB 3.5Å; L33-L37 PolarHBondContact O-N 3.49Å
34	N	39	Very low	37.7	Very low	110 Å²	110	132 Å²	132	59%	0.588	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	23.8	-178.3	-70.1	-6.9	0	0	0	115.5	N32 I38	N32-N34 PolarHBondContact O-N 2.73Å; N34-I38 WeakPolarHBondContact O-CD1 3.47Å; N34-I38 WeakPolarHBondContact O-CG1 3.42Å
35	L	41.5	Very low	37.8	Very low	120 Å²	120	130.6 Å²	130.6	63%	0.628	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	-38	167.8	-149.9	72.3	0	0	0	112.1	L33 I38 L39	L33-L35 PolarHBondContact O-N 2.94Å; L35-I38 PolarHBondContact O-N 2.92Å; L35-L39 PolarHBondContact O-N 3.19Å
36	I	44.3	Very low	38.1	Very low	121 Å²	121	128.7 Å²	128.7	62%	0.621	64%	0.643	S	S	*	*	H	α-helix	trans	-70	-37.8	169.8	-64.4	176.6	0	0	0	110.5	L33 I38 F40	L33-I36 PolarHBondContact O-N 3.38Å; I36-I38 VanDerWaalsContact C-N 3.33Å; I36-F40 WeakPolarHBondContact O-CB 3.19Å; I36-F40 PolarHBondContact O-N 2.61Å
37	L	45.3	Very low	38.2	Very low	93 Å²	93	125.2 Å²	125.2	49%	0.487	63%	0.633	S	S	.	*	H	α-helix	trans	-65.7	-37.6	172.5	-158.9	76.5	0	0	0	111.2	L33 F40 L41	L33-L37 WeakPolarHBondContact O-CB 3.5Å; L33-L37 PolarHBondContact O-N 3.49Å; L37-F40 PolarHBondContact O-N 2.88Å; L37-L41 HydrophobicContact CD2-CD1 4.44Å; L37-L41 HydrophobicContact CG-CD1 4.15Å; L37-L41 WeakPolarHBondContact O-CB 3.35Å; L37-L41 WeakPolarHBondContact O-CD1 3.04Å; L37-L41 WeakPolarHBondContact O-CG 3.31Å; L37-L41 PolarHBondContact O-N 2.77Å
38	I	48.8	Very low	38.4	Very low	75 Å²	75	117.5 Å²	117.5	39%	0.385	60%	0.597	S	S	.	*	H	α-helix	trans	-68.8	-42.7	177.9	-64.7	-172.1	0	0	0	111.2	N34 L35 I36 L41 I42	N34-I38 WeakPolarHBondContact O-CD1 3.47Å; N34-I38 WeakPolarHBondContact O-CG1 3.42Å; L35-I38 PolarHBondContact O-N 2.92Å; I36-I38 VanDerWaalsContact C-N 3.33Å; I38-L41 PolarHBondContact O-N 2.8Å; I38-I42 HydrophobicContact CG2-CD1 3.63Å; I38-I42 HydrophobicContact CG2-CG1 4.23Å; I38-I42 WeakPolarHBondContact O-CB 3.03Å; I38-I42 WeakPolarHBondContact O-CG1 3.4Å; I38-I42 PolarHBondContact O-N 2.04Å
39	L	42.7	Very low	38.7	Very low	109 Å²	109	118 Å²	118	57%	0.571	59%	0.592	S	S	*	*	H	α-helix	trans	-68.7	-33.4	174.9	-83.2	163.1	0	0	0	113	L35 T43	L35-L39 PolarHBondContact O-N 3.19Å; L39-T43 WeakPolarHBondContact O-CB 3.2Å; L39-T43 WeakPolarHBondContact O-CG2 3.43Å; L39-T43 PolarHBondContact O-N 2.71Å; L39-T43 PolarHBondContact O-OG1 3.23Å
40	F	43.7	Very low	38.9	Very low	132 Å²	132	114.4 Å²	114.4	58%	0.579	58%	0.58	S	S	*	*	H	α-helix	trans	-64	-43.5	168.1	-113.8	-90.8	0	0	0	111.5	I36 L37 T43 F44	I36-F40 WeakPolarHBondContact O-CB 3.19Å; I36-F40 PolarHBondContact O-N 2.61Å; L37-F40 PolarHBondContact O-N 2.88Å; F40-T43 PolarHBondContact O-OG1 2.96Å; F40-F44 HydrophobicContact CD1-CD2 4.37Å; F40-F44 HydrophobicContact CE1-CE2 4.45Å; F40-F44 VanDerWaalsContact O-CB 3.3Å; F40-F44 WeakPolarHBondContact O-CB 3.46Å; F40-F44 PolarHBondContact O-N 2.78Å
41	L	44	Very low	39.3	Very low	93 Å²	93	111.4 Å²	111.4	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-67.6	-39.9	179	-74	165.2	0	0	0	112.7	L37 I38 N45	L37-L41 HydrophobicContact CD2-CD1 4.44Å; L37-L41 HydrophobicContact CG-CD1 4.15Å; L37-L41 WeakPolarHBondContact O-CB 3.35Å; L37-L41 WeakPolarHBondContact O-CD1 3.04Å; L37-L41 WeakPolarHBondContact O-CG 3.31Å; L37-L41 PolarHBondContact O-N 2.77Å; I38-L41 PolarHBondContact O-N 2.8Å; L41-N45 WeakPolarHBondContact O-CB 3.46Å; L41-N45 PolarHBondContact O-N 2.72Å; L41-N45 PolarHBondContact O-ND2 3.16Å
42	I	44.1	Very low	39.3	Very low	61 Å²	61	109.3 Å²	109.3	31%	0.313	57%	0.568	S	S	.	*	H	α-helix	trans	-70.2	-37.9	178.3	-69.1	173.7	0	0	0	111	I38 N45	I38-I42 HydrophobicContact CG2-CD1 3.63Å; I38-I42 HydrophobicContact CG2-CG1 4.23Å; I38-I42 WeakPolarHBondContact O-CB 3.03Å; I38-I42 WeakPolarHBondContact O-CG1 3.4Å; I38-I42 PolarHBondContact O-N 2.04Å; I42-N45 PolarHBondContact O-N 3.34Å
43	T	39.9	Very low	39.3	Very low	85 Å²	85	104.2 Å²	104.2	52%	0.521	54%	0.543	S	S	.	.	H	α-helix	trans	-80.2	-28.1	176.3	56.7	0	0	0	0	113.7	L39 F40	L39-T43 WeakPolarHBondContact O-CB 3.2Å; L39-T43 WeakPolarHBondContact O-CG2 3.43Å; L39-T43 PolarHBondContact O-N 2.71Å; L39-T43 PolarHBondContact O-OG1 3.23Å; F40-T43 PolarHBondContact O-OG1 2.96Å
44	F	39.4	Very low	39.6	Very low	121 Å²	121	103.1 Å²	103.1	53%	0.531	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-39.2	166.1	-108.1	-126.5	0	0	0	111.3	F40 L46 L47 S48	F40-F44 HydrophobicContact CD1-CD2 4.37Å; F40-F44 HydrophobicContact CE1-CE2 4.45Å; F40-F44 VanDerWaalsContact O-CB 3.3Å; F40-F44 WeakPolarHBondContact O-CB 3.46Å; F40-F44 PolarHBondContact O-N 2.78Å; F44-L46 PolarHBondContact O-N 2.72Å; F44-L47 CarbonylContact O-C 3.49Å; F44-L47 PolarHBondContact O-N 2.94Å; F44-S48 VanDerWaalsContact O-CB 3.3Å; F44-S48 WeakPolarHBondContact O-CB 3.49Å; F44-S48 PolarHBondContact O-N 3.48Å; F44-S48 PolarHBondContact O-OG 2.04Å
45	N	34.5	Very low	39.7	Very low	106 Å²	106	102.2 Å²	102.2	57%	0.567	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-2.4	-177.9	-89.1	-73.2	0	0	0	116	L41 I42	L41-N45 WeakPolarHBondContact O-CB 3.46Å; L41-N45 PolarHBondContact O-N 2.72Å; L41-N45 PolarHBondContact O-ND2 3.16Å; I42-N45 PolarHBondContact O-N 3.34Å
46	L	37.5	Very low	39.8	Very low	149 Å²	149	100.4 Å²	100.4	78%	0.78	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-1.1	167.9	-76.8	165.3	0	0	0	114.8	F44	F44-L46 PolarHBondContact O-N 2.72Å
47	L	34.2	Very low	39.7	Very low	137 Å²	137	100.4 Å²	100.4	72%	0.717	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	-11.6	175.9	-80.5	166.1	0	0	0	114.5	F44 S50	F44-L47 CarbonylContact O-C 3.49Å; F44-L47 PolarHBondContact O-N 2.94Å; L47-S50 PolarHBondContact O-OG 2.88Å
48	S	33.4	Very low	39.2	Very low	18 Å²	18	102.5 Å²	102.5	13%	0.126	55%	0.549	C	S	.	.			trans	-92.2	10.6	177.7	74.1	0	0	0	0	114.4	F44 S50 F51 L52	F44-S48 VanDerWaalsContact O-CB 3.3Å; F44-S48 WeakPolarHBondContact O-CB 3.49Å; F44-S48 PolarHBondContact O-N 3.48Å; F44-S48 PolarHBondContact O-OG 2.04Å; S48-S50 PolarHBondContact O-N 2.88Å; S48-F51 PolarHBondContact O-N 2.75Å; S48-L52 PolarHBondContact O-N 3.37Å
49	N	32.4	Very low	38.6	Very low	132 Å²	132	104.3 Å²	104.3	71%	0.706	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	23.6	153.8	-73.9	-39.7	0	0	0	112.9
50	S	38.6	Very low	37.9	Very low	74 Å²	74	108 Å²	108	52%	0.517	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-128.2	-4	-175.3	-45.1	0	0	0	0	112	L47 S48	L47-S50 PolarHBondContact O-OG 2.88Å; S48-S50 PolarHBondContact O-N 2.88Å
51	F	33.9	Very low	37.2	Very low	162 Å²	162	106.5 Å²	106.5	71%	0.711	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	-28.2	176.1	-96.8	-85.4	0	0	0	113.9	S48 S53 L54	S48-F51 PolarHBondContact O-N 2.75Å; F51-S53 PolarHBondContact O-N 2.82Å; F51-L54 HydrophobicContact CD1-CD1 4.18Å; F51-L54 HydrophobicContact CE1-CD2 4.48Å; F51-L54 PolarHBondContact O-N 3.15Å
52	L	33.7	Very low	36.5	Very low	141 Å²	141	109 Å²	109	74%	0.738	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	5.7	166.6	-91.7	104.1	0	0	0	114	S48 S56	S48-L52 PolarHBondContact O-N 3.37Å; L52-S56 PolarHBondContact O-OG 2.85Å
53	S	39	Very low	35.6	Very low	31 Å²	31	113.9 Å²	113.9	22%	0.217	62%	0.62	C	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	-20.6	167.3	47.2	0	0	0	0	113.9	F51 C55 S56 D57	F51-S53 PolarHBondContact O-N 2.82Å; S53-C55 VanDerWaalsContact C-N 3.25Å; S53-C55 PolarHBondContact O-N 3.42Å; S53-S56 VanDerWaalsContact C-OG 3.31Å; S53-S56 VanDerWaalsContact CA-OG 3.28Å; S53-S56 WeakPolarHBondContact CA-OG 3.44Å; S53-S56 PolarHBondContact O-N 3.16Å; S53-S56 PolarHBondContact O-OG 2.98Å; S53-D57 WeakPolarHBondContact CB-OD2 3.07Å; S53-D57 PolarHBondContact O-N 3.42Å
54	L	41.4	Very low	35.1	Very low	95 Å²	95	117.9 Å²	117.9	50%	0.497	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.4	-14.9	-170.7	-93.2	84.3	0	0	0	114.9	F51	F51-L54 HydrophobicContact CD1-CD1 4.18Å; F51-L54 HydrophobicContact CE1-CD2 4.48Å; F51-L54 PolarHBondContact O-N 3.15Å
55	C	40.7	Very low	34.5	Very low	92 Å²	92	118.2 Å²	118.2	62%	0.622	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	0.7	172.9	-66.4	0	0	0	0	113.3	S53 C77	S53-C55 VanDerWaalsContact C-N 3.25Å; S53-C55 PolarHBondContact O-N 3.42Å; C55-C77 VanDerWaalsContact SG-SG 3.7Å
56	S	44.1	Very low	34.4	Very low	81 Å²	81	120.2 Å²	120.2	57%	0.566	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	-28	-161.6	16.6	0	0	0	0	113.2	L52 S53	L52-S56 PolarHBondContact O-OG 2.85Å; S53-S56 VanDerWaalsContact C-OG 3.31Å; S53-S56 VanDerWaalsContact CA-OG 3.28Å; S53-S56 WeakPolarHBondContact CA-OG 3.44Å; S53-S56 PolarHBondContact O-N 3.16Å; S53-S56 PolarHBondContact O-OG 2.98Å
57	D	41.5	Very low	34	Very low	122 Å²	122	124.5 Å²	124.5	65%	0.652	67%	0.672	S	S	*	*			trans	-100.6	19.3	-177.4	-79.6	-42.8	0	0	0	115	S53 P59	S53-D57 WeakPolarHBondContact CB-OD2 3.07Å; S53-D57 PolarHBondContact O-N 3.42Å; D57-P59 WeakPolarHBondContact O-CD 3.07Å; D57-P59 VanDerWaalsContact O-N 3.16Å
58	L	36.3	Very low	33.7	Very low	137 Å²	137	124.8 Å²	124.8	72%	0.717	67%	0.673	S	S	*	*			trans	-65.7	112.7	177.2	-103.7	77.6	0	0	0	111.4
59	P	35.2	Very low	33.8	Very low	112 Å²	112	130.3 Å²	130.3	73%	0.727	70%	0.702	S	S	*	*			trans	-75	139.8	-168.8	-18.6	33.9	0	0	0	113.3	D57 S61	D57-P59 WeakPolarHBondContact O-CD 3.07Å; D57-P59 VanDerWaalsContact O-N 3.16Å; P59-S61 PolarHBondContact O-N 3.13Å
60	K	28.5	Very low	34.3	Very low	188 Å²	188	129.1 Å²	129.1	82%	0.817	70%	0.699	S	S	*	*	S	Bend	trans	-71.6	102.8	172.2	-70.3	175.4	-177.7	170.4	0	110.2
61	S	28.5	Very low	34.2	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	71%	0.71	S	S	*	*			trans	72.5	103	170.5	70.8	0	0	0	0	118.7	P59	P59-S61 PolarHBondContact O-N 3.13Å
62	T	29.6	Very low	34.5	Very low	144 Å²	144	130.7 Å²	130.7	88%	0.883	71%	0.708	S	S	*	*			trans	-157.4	157.8	132.8	10.1	0	0	0	0	110.2
63	K	26.2	Very low	35.1	Very low	164 Å²	164	129.8 Å²	129.8	71%	0.713	70%	0.701	S	S	*	*			trans	-86.8	133.1	174.1	-63.6	176.9	179.4	178.4	0	110
64	L	28.6	Very low	35.2	Very low	170 Å²	170	135.4 Å²	135.4	89%	0.89	72%	0.721	S	S	*	*			trans	-156	160.4	139	-140.8	69.2	0	0	0	111.4
65	T	27	Very low	35.4	Very low	127 Å²	127	136.6 Å²	136.6	78%	0.779	72%	0.722	S	S	*	*			trans	-121.5	112.6	-163.8	45.2	0	0	0	0	112.6
66	T	32	Very low	35.8	Very low	149 Å²	149	137.9 Å²	137.9	91%	0.914	72%	0.719	S	S	*	*			trans	-152.9	159.3	160	11.7	0	0	0	0	110
67	R	29.3	Very low	35.9	Very low	238 Å²	238	135.5 Å²	135.5	90%	0.898	70%	0.702	S	S	*	*			trans	-104.1	165.7	-166.4	-77	-179.9	165.5	178.2	-2.8	114
68	L	27.7	Very low	36	Very low	143 Å²	143	132.4 Å²	132.4	75%	0.749	69%	0.689	S	S	*	*	S	Bend	trans	87.7	149.5	167.3	-89.5	63.7	0	0	0	119.1	T70	L68-T70 PolarHBondContact O-N 2.98Å
69	N	36.3	Very low	36.6	Very low	135 Å²	135	131 Å²	131	72%	0.722	68%	0.682	S	S	*	*	S	Bend	trans	75.2	-7.3	163.7	-62.9	-5.8	0	0	0	122.2	L71	N69-L71 PolarHBondContact O-N 2.8Å
70	T	42	Very low	37.4	Very low	106 Å²	106	130.3 Å²	130.3	65%	0.65	67%	0.673	S	S	*	*	H	α-helix	trans	-70.6	-26.6	-179.1	48.5	0	0	0	0	115.9	L68 N72 Q73 F74	L68-T70 PolarHBondContact O-N 2.98Å; T70-N72 PolarHBondContact O-N 3.28Å; T70-Q73 PolarHBondContact O-N 2.75Å; T70-F74 PolarHBondContact O-N 2.92Å
71	L	36.4	Very low	37.9	Very low	141 Å²	141	124.5 Å²	124.5	74%	0.738	67%	0.666	S	S	*	*	H	α-helix	trans	-65.2	-35.3	-171.5	-163.4	71.3	0	0	0	113.7	N69 K75	N69-L71 PolarHBondContact O-N 2.8Å; L71-K75 WeakPolarHBondContact O-CB 3.42Å; L71-K75 PolarHBondContact O-N 3.39Å
72	N	41.6	Very low	38.8	Very low	128 Å²	128	126.7 Å²	126.7	68%	0.684	67%	0.669	S	S	*	*	H	α-helix	trans	-74.4	-31.3	178.9	-73.9	-9.3	0	0	0	112.5	T70 H76	T70-N72 PolarHBondContact O-N 3.28Å; N72-H76 PolarHBondContact O-N 2.81Å; N72-H76 VanDerWaalsContact O-N 3.08Å
73	Q	44.6	Very low	39.4	Very low	123 Å²	123	123.1 Å²	123.1	58%	0.575	64%	0.644	S	S	*	*	H	α-helix	trans	-72.5	-45.4	175.8	-70.3	175.4	-34.2	0	0	110.8	T70 K75 H76 C77	T70-Q73 PolarHBondContact O-N 2.75Å; Q73-K75 PolarHBondContact O-N 2.82Å; Q73-H76 PolarHBondContact O-N 3.04Å; Q73-H76 VanDerWaalsContact O-N 3.12Å; Q73-C77 PolarHBondContact O-N 3.47Å; Q73-C77 VanDerWaalsContact O-N 3.14Å; Q73-C77 PolarHBondContact O-SG 3.17Å
74	F	42.9	Very low	39.9	Very low	148 Å²	148	118.8 Å²	118.8	65%	0.649	64%	0.638	S	S	*	*	H	α-helix	trans	-60	-38.2	174.9	-159.9	-84.7	0	0	0	111.7	T70 C78	T70-F74 PolarHBondContact O-N 2.92Å; F74-C78 WeakPolarHBondContact O-CB 3.18Å; F74-C78 PolarHBondContact O-N 3.27Å
75	K	45.1	Very low	40.2	Very low	120 Å²	120	115.1 Å²	115.1	52%	0.522	63%	0.633	S	S	.	*	H	α-helix	trans	-61.3	-47.9	172.3	176.9	166.3	176.2	168.1	0	112.2	L71 Q73 C77 C78 D79	L71-K75 WeakPolarHBondContact O-CB 3.42Å; L71-K75 PolarHBondContact O-N 3.39Å; Q73-K75 PolarHBondContact O-N 2.82Å; K75-C77 PolarHBondContact O-N 2.65Å; K75-C78 PolarHBondContact O-N 2.93Å; K75-C78 VanDerWaalsContact O-N 3.09Å; K75-D79 WeakPolarHBondContact CE-OD2 3.24Å; K75-D79 WeakPolarHBondContact CG-OD2 3.43Å; K75-D79 IonicContact NZ-OD2 3.55Å; K75-D79 WeakPolarHBondContact O-CB 3.47Å; K75-D79 PolarHBondContact O-N 3.36Å
76	H	48.6	Very low	40.8	Very low	120 Å²	120	114.6 Å²	114.6	56%	0.556	62%	0.621	S	S	*	*	H	α-helix	trans	-57.2	-49.3	-179.8	-129.6	-59.4	0	0	0	111.7	N72 Q73 C78 D79 D80	N72-H76 PolarHBondContact O-N 2.81Å; N72-H76 VanDerWaalsContact O-N 3.08Å; Q73-H76 PolarHBondContact O-N 3.04Å; Q73-H76 VanDerWaalsContact O-N 3.12Å; H76-C78 PolarHBondContact O-N 3.44Å; H76-C78 VanDerWaalsContact O-N 3.1Å; H76-D79 PolarHBondContact O-N 3.25Å; H76-D80 IonicContact CE1-OD2 3.7Å; H76-D80 IonicContact CG-OD2 2.95Å; H76-D80 IonicContact ND1-OD2 3.75Å; H76-D80 PolarHBondContact ND1-OD2 2.92Å; H76-D80 WeakPolarHBondContact O-CB 3.49Å; H76-D80 PolarHBondContact O-N 2.9Å; H76-D80 VanDerWaalsContact O-OD2 3.11Å
77	C	46.2	Very low	40.8	Very low	31 Å²	31	112.2 Å²	112.2	21%	0.209	61%	0.611	C	S	.	*	H	α-helix	trans	-64.1	-18.1	179.3	-56.3	0	0	0	0	114.3	C55 Q73 K75 L82 I83	C55-C77 VanDerWaalsContact SG-SG 3.7Å; Q73-C77 PolarHBondContact O-N 3.47Å; Q73-C77 VanDerWaalsContact O-N 3.14Å; Q73-C77 PolarHBondContact O-SG 3.17Å; K75-C77 PolarHBondContact O-N 2.65Å; C77-L82 PolarHBondContact O-N 2.98Å; C77-I83 HydrophobicContact CB-CD1 3.57Å; C77-I83 HydrophobicContact CB-CG1 4.07Å; C77-I83 PolarHBondContact O-N 3.23Å
78	C	44.5	Very low	40.8	Very low	56 Å²	56	108.8 Å²	108.8	38%	0.378	61%	0.609	S	S	.	*	H	α-helix	trans	-93.9	-42.5	177.1	-159.8	0	0	0	0	111.9	F74 K75 H76 D80 G81	F74-C78 WeakPolarHBondContact O-CB 3.18Å; F74-C78 PolarHBondContact O-N 3.27Å; K75-C78 PolarHBondContact O-N 2.93Å; K75-C78 VanDerWaalsContact O-N 3.09Å; H76-C78 PolarHBondContact O-N 3.44Å; H76-C78 VanDerWaalsContact O-N 3.1Å; C78-D80 VanDerWaalsContact C-N 3.3Å; C78-D80 PolarHBondContact O-N 3.18Å; C78-G81 PolarHBondContact O-N 2.97Å; C78-G81 VanDerWaalsContact O-N 3.14Å
79	D	48.4	Very low	40.9	Very low	108 Å²	108	105.7 Å²	105.7	58%	0.578	59%	0.594	S	S	*	*	H	α-helix	trans	-62.6	-35.2	173.6	-76	-6.3	0	0	0	111.5	K75 H76 G81	K75-D79 WeakPolarHBondContact CE-OD2 3.24Å; K75-D79 WeakPolarHBondContact CG-OD2 3.43Å; K75-D79 IonicContact NZ-OD2 3.55Å; K75-D79 WeakPolarHBondContact O-CB 3.47Å; K75-D79 PolarHBondContact O-N 3.36Å; H76-D79 PolarHBondContact O-N 3.25Å; D79-G81 VanDerWaalsContact C-N 3.29Å; D79-G81 PolarHBondContact O-N 2.85Å
80	D	50.5	Low	40.5	Very low	98 Å²	98	104.7 Å²	104.7	52%	0.524	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.3	1.6	176.1	-67.4	-47.3	0	0	0	113.9	H76 C78 L82	H76-D80 IonicContact CE1-OD2 3.7Å; H76-D80 IonicContact CG-OD2 2.95Å; H76-D80 IonicContact ND1-OD2 3.75Å; H76-D80 PolarHBondContact ND1-OD2 2.92Å; H76-D80 WeakPolarHBondContact O-CB 3.49Å; H76-D80 PolarHBondContact O-N 2.9Å; H76-D80 VanDerWaalsContact O-OD2 3.11Å; C78-D80 VanDerWaalsContact C-N 3.3Å; C78-D80 PolarHBondContact O-N 3.18Å; D80-L82 VanDerWaalsContact C-N 3.3Å; D80-L82 HydrophobicContact CB-CD1 4.35Å; D80-L82 PolarHBondContact O-N 3.18Å
81	G	40.3	Very low	39.8	Very low	65 Å²	65	103.4 Å²	103.4	67%	0.67	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	72	12.7	173.1	0	0	0	0	0	116.4	C78 D79	C78-G81 PolarHBondContact O-N 2.97Å; C78-G81 VanDerWaalsContact O-N 3.14Å; D79-G81 VanDerWaalsContact C-N 3.29Å; D79-G81 PolarHBondContact O-N 2.85Å
82	L	48.2	Very low	39.3	Very low	147 Å²	147	101.6 Å²	101.6	77%	0.77	57%	0.571	S	S	*	*			trans	-87	-6.6	-173.3	-70	168.9	0	0	0	114.5	C77 D80	C77-L82 PolarHBondContact O-N 2.98Å; D80-L82 VanDerWaalsContact C-N 3.3Å; D80-L82 HydrophobicContact CB-CD1 4.35Å; D80-L82 PolarHBondContact O-N 3.18Å
83	I	41.4	Very low	38.7	Very low	69 Å²	69	97.3 Å²	97.3	35%	0.354	55%	0.548	S	S	.	.	S	Bend	trans	-133.5	122.4	176.8	-53.3	-179.6	0	0	0	110.3	C77	C77-I83 HydrophobicContact CB-CD1 3.57Å; C77-I83 HydrophobicContact CB-CG1 4.07Å; C77-I83 PolarHBondContact O-N 3.23Å
84	A	37	Very low	38	Very low	72 Å²	72	92.3 Å²	92.3	60%	0.595	53%	0.526	S	S	*	.			trans	-74.8	135.5	169.4	0	0	0	0	0	110.9	H86	A84-H86 PolarHBondContact O-N 3.37Å
85	A	34.7	Very low	37.3	Very low	94 Å²	94	87.1 Å²	87.1	78%	0.777	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	10.6	-169	0	0	0	0	0	116.8
86	H	38.6	Very low	36.6	Very low	115 Å²	115	88.3 Å²	88.3	53%	0.532	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	3.2	-170.8	-74.4	-97.2	0	0	0	114.8	A84 I798	A84-H86 PolarHBondContact O-N 3.37Å; H86-I798 HydrophobicContact CB-CD1 3.5Å; H86-I798 VanDerWaalsContact ND1-CG2 3.28Å; H86-I798 WeakPolarHBondContact ND1-CG2 3.28Å
87	S	32.3	Very low	35.7	Very low	99 Å²	99	87.2 Å²	87.2	69%	0.692	52%	0.517	S	S	*	.			trans	-104.2	52.1	-169.6	-63	0	0	0	0	115.2
88	L	29.6	Very low	34.9	Very low	167 Å²	167	89.3 Å²	89.3	87%	0.874	53%	0.532	S	S	*	.			trans	-147.3	125.5	162.2	-147.8	87.8	0	0	0	111.7
89	D	28.6	Very low	34.1	Very low	78 Å²	78	89.9 Å²	89.9	42%	0.417	55%	0.547	S	S	.	.			trans	-152.3	98.4	-157.8	-167.3	10	0	0	0	113.6	R774	D89-R774 VanDerWaalsContact C-NH1 3.26Å; D89-R774 VanDerWaalsContact CG-NE 3.33Å; D89-R774 PolarHBondContact O-NH1 3.39Å; D89-R774 WeakPolarHBondContact OD1-CD 3.33Å; D89-R774 VanDerWaalsContact OD1-CG 3.24Å; D89-R774 WeakPolarHBondContact OD1-CG 3.36Å; D89-R774 IonicContact OD1-CZ 2.65Å; D89-R774 IonicContact OD1-NE 3.69Å; D89-R774 PolarHBondContact OD1-NE 2.04Å; D89-R774 IonicContact OD1-NH1 2.62Å; D89-R774 IonicContact OD1-NH2 2.65Å; D89-R774 IonicContact OD2-CZ 3.49Å; D89-R774 IonicContact OD2-NE 2.68Å; D89-R774 PolarHBondContact OD2-NE 3.35Å; D89-R774 IonicContact OD2-NH1 3.75Å; D89-R774 IonicContact OD2-NH2 2.68Å; D89-R774 PolarHBondContact OD2-NH2 3.08Å
90	L	29.3	Very low	33.3	Very low	114 Å²	114	90.8 Å²	90.8	60%	0.597	56%	0.557	S	S	*	*			trans	-176.9	148.5	-178.9	-103.3	158.5	0	0	0	110.1
91	P	25.9	Very low	32.3	Very low	78 Å²	78	93.2 Å²	93.2	51%	0.506	57%	0.57	S	S	.	*				-135.1	174.6	-67.2	42.9	-29.9	0	0	0	116.2
92	I	27.9	Very low	31.8	Very low	104 Å²	104	95.8 Å²	95.8	53%	0.533	57%	0.573	S	S	.	*			trans	84.1	131.1	151.4	-72.1	154.3	0	0	0	122	F772	I92-F772 WeakPolarHBondContact CA-O 3.34Å; I92-F772 HydrophobicContact CG1-CB 4.43Å; I92-F772 WeakPolarHBondContact CG1-O 3.48Å; I92-F772 HydrophobicContact CG2-CB 4.32Å; I92-F772 HydrophobicContact CG2-CD1 3.85Å
93	L	28.3	Very low	31	Very low	38 Å²	38	96.2 Å²	96.2	20%	0.199	57%	0.571	C	S	.	*			trans	31.2	133.6	159.3	-159.1	125.3	0	0	0	121.1	I757 Q771 F772	L93-I757 WeakPolarHBondContact O-CD1 3.26Å; L93-Q771 VanDerWaalsContact CA-O 3.29Å; L93-Q771 WeakPolarHBondContact CA-O 3.44Å; L93-Q771 HydrophobicContact CD1-CB 3.79Å; L93-Q771 WeakPolarHBondContact CD1-O 3.29Å; L93-F772 HydrophobicContact CB-CB 4.25Å; L93-F772 HydrophobicContact CB-CD1 3.54Å; L93-F772 HydrophobicContact CB-CE1 4.06Å; L93-F772 HydrophobicContact CB-CG 3.91Å; L93-F772 HydrophobicContact CD1-CB 4.34Å; L93-F772 HydrophobicContact CD1-CD1 3.54Å; L93-F772 HydrophobicContact CD1-CD2 3.41Å; L93-F772 VanDerWaalsContact CD1-CD2 3.41Å; L93-F772 HydrophobicContact CD1-CE1 3.57Å; L93-F772 HydrophobicContact CD1-CE2 3.45Å; L93-F772 VanDerWaalsContact CD1-CE2 3.45Å; L93-F772 HydrophobicContact CD1-CG 3.45Å; L93-F772 VanDerWaalsContact CD1-CG 3.45Å; L93-F772 HydrophobicContact CD1-CZ 3.53Å; L93-F772 HydrophobicContact CD2-CE1 4.43Å; L93-F772 HydrophobicContact CG-CD1 4.05Å; L93-F772 HydrophobicContact CG-CE1 4.19Å; L93-F772 HydrophobicContact CG-CG 4.26Å
94	T	28.6	Very low	30.6	Very low	17 Å²	17	98.3 Å²	98.3	10%	0.104	59%	0.587	C	S	.	*			cis	110.2	160	0.2	122.9	0	0	0	0	121.6	I759 R768 Q771	T94-I759 VanDerWaalsContact CA-CG2 3.42Å; T94-I759 HydrophobicContact CG2-CG2 4.4Å; T94-I759 WeakPolarHBondContact O-CG1 3.03Å; T94-R768 VanDerWaalsContact CG2-NE 3.27Å; T94-Q771 WeakPolarHBondContact CB-O 3.17Å; T94-Q771 PolarHBondContact OG1-O 2.93Å
95	S	28.7	Very low	30.2	Very low	39 Å²	39	100.1 Å²	100.1	27%	0.273	59%	0.594	S	S	.	*				-84.9	161.4	-129.7	-9.8	0	0	0	0	118.7	I759 R768	S95-I759 VanDerWaalsContact OG-CG2 3.22Å; S95-I759 WeakPolarHBondContact OG-CG2 3.38Å; S95-R768 PolarHBondContact OG-NH1 2.87Å
96	Q	30.5	Very low	30.2	Very low	146 Å²	146	100.1 Å²	100.1	68%	0.682	59%	0.594	S	S	*	*				-165.7	137	72.9	-85.3	177.5	-18.8	0	0	117.3
97	T	29.6	Very low	30.2	Very low	96 Å²	96	102 Å²	102	59%	0.589	60%	0.603	S	S	*	*			trans	43	129.2	137.9	63.9	0	0	0	0	123.8
98	S	29.8	Very low	30.3	Very low	75 Å²	75	103 Å²	103	52%	0.524	60%	0.599	S	S	.	*				166.3	145.8	98.6	48.9	0	0	0	0	114.1
99	G	27.9	Very low	30.4	Very low	68 Å²	68	102.5 Å²	102.5	70%	0.701	60%	0.597	S	S	*	*			trans	118	108.1	158.4	0	0	0	0	0	118.7
100	T	30.7	Very low	30.6	Very low	127 Å²	127	107.8 Å²	107.8	78%	0.779	62%	0.619	S	S	*	*			trans	49.1	123	147.2	56.8	0	0	0	0	122.3
101	N	30.2	Very low	30.7	Very low	149 Å²	149	112.3 Å²	112.3	80%	0.797	64%	0.635	S	S	*	*			trans	54.7	114.9	141.3	-52.4	5.2	0	0	0	120.3
102	T	30	Very low	30.9	Very low	120 Å²	120	112 Å²	112	74%	0.736	65%	0.645	S	S	*	*				-176.1	129.4	118.8	34.9	0	0	0	0	111.1
103	E	30.8	Very low	31	Very low	155 Å²	155	113.4 Å²	113.4	72%	0.724	66%	0.659	S	S	*	*			trans	22.8	138.4	141.4	-67	139.8	-127.8	0	0	121.9
104	T	33.7	Very low	31.2	Very low	113 Å²	113	117.3 Å²	117.3	69%	0.693	69%	0.689	S	S	*	*			trans	-136.1	160.2	162	55.4	0	0	0	0	110.4	A106	T104-A106 PolarHBondContact O-N 3.48Å
105	C	28.7	Very low	31.3	Very low	111 Å²	111	122.4 Å²	122.4	75%	0.75	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-61.7	3.1	-158.1	-57.3	0	0	0	0	118.8	E107	C105-E107 VanDerWaalsContact C-N 3.29Å; C105-E107 PolarHBondContact O-N 2.81Å
106	A	34.8	Very low	31.4	Very low	94 Å²	94	125.4 Å²	125.4	78%	0.777	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-67.7	-25.6	178.4	0	0	0	0	0	113.6	T104	T104-A106 PolarHBondContact O-N 3.48Å
107	E	38.8	Very low	31.4	Very low	153 Å²	153	126.1 Å²	126.1	72%	0.715	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-97.2	-1.9	-170.8	-62.5	-178.4	126	0	0	114.3	C105	C105-E107 VanDerWaalsContact C-N 3.29Å; C105-E107 PolarHBondContact O-N 2.81Å
108	I	34.9	Very low	31.5	Very low	120 Å²	120	127.9 Å²	127.9	62%	0.615	75%	0.746	S	S	*	*	S	Bend	trans	-93.6	-16.4	-167.1	-66.2	177.4	0	0	0	114.1
109	L	31.1	Very low	31.7	Very low	158 Å²	158	131.7 Å²	131.7	83%	0.827	76%	0.76	S	S	*	*	S	Bend	trans	-128.2	20.4	-168.1	-72.4	176.8	0	0	0	117
110	Q	31.5	Very low	31.7	Very low	189 Å²	189	132.2 Å²	132.2	88%	0.883	76%	0.758	S	S	*	*			trans	-133.3	48.4	167.3	-73.3	-159.8	-9.1	0	0	114.4
111	F	31.5	Very low	31.7	Very low	209 Å²	209	134.9 Å²	134.9	92%	0.917	76%	0.762	S	S	*	*			trans	-112.4	91.8	155.9	-97.3	-80.3	0	0	0	110.7
112	G	30.2	Very low	31.7	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	76%	0.763	S	S	*	*			trans	-121.9	81.6	176.8	0	0	0	0	0	112
113	T	31.1	Very low	31.7	Very low	133 Å²	133	136.2 Å²	136.2	82%	0.816	76%	0.764	S	S	*	*			trans	-175.1	126.5	151.7	10.4	0	0	0	0	110.9
114	S	31.6	Very low	31.7	Very low	120 Å²	120	134.9 Å²	134.9	84%	0.839	77%	0.771	S	S	*	*			trans	64.9	141.1	176.4	75.1	0	0	0	0	115.8
115	V	30.3	Very low	31.8	Very low	125 Å²	125	133.4 Å²	133.4	76%	0.758	77%	0.766	S	S	*	*			cis	-156.2	128.1	-1.5	110.5	0	0	0	0	110.3
116	V	32.4	Very low	32	Very low	101 Å²	101	134 Å²	134	61%	0.612	76%	0.762	S	S	*	*			trans	70.9	129.7	139.9	176.6	0	0	0	0	121.6
117	E	30.1	Very low	32.1	Very low	162 Å²	162	136.3 Å²	136.3	76%	0.757	76%	0.756	S	S	*	*			trans	57.1	141.6	154.9	-67.7	149.6	-156.7	0	0	118.6
118	D	32.2	Very low	31.8	Very low	132 Å²	132	136.3 Å²	136.3	71%	0.706	75%	0.754	S	S	*	*			cis	-155.5	169.9	-2.5	-108	-22.7	0	0	0	110.1
119	D	32.9	Very low	31.6	Very low	155 Å²	155	141.1 Å²	141.1	83%	0.829	76%	0.764	S	S	*	*			trans	47.9	142.7	164.7	-66.9	-23.6	0	0	0	120.4
120	A	28.6	Very low	31.6	Very low	80 Å²	80	138.6 Å²	138.6	66%	0.661	76%	0.759	S	S	*	*			cis	174.8	141.7	-25.4	0	0	0	0	0	105.4	N122	A120-N122 PolarHBondContact O-N 2.96Å
121	E	30	Very low	31.7	Very low	182 Å²	182	135.3 Å²	135.3	85%	0.85	74%	0.743	S	S	*	*			trans	39.7	76	148.8	-55.2	-172.3	151.6	0	0	120.4
122	N	31.3	Very low	31.8	Very low	156 Å²	156	135.4 Å²	135.4	83%	0.834	74%	0.738	S	S	*	*			trans	-176.2	84.3	135.7	-106	-65.1	0	0	0	114.4	A120	A120-N122 PolarHBondContact O-N 2.96Å
123	L	29.9	Very low	32	Very low	141 Å²	141	137 Å²	137	74%	0.738	73%	0.733	S	S	*	*			trans	-157.3	21	156.2	-140.9	70.7	0	0	0	115.8	S125	L123-S125 PolarHBondContact O-N 3.37Å
124	S	30.9	Very low	31.9	Very low	127 Å²	127	137.9 Å²	137.9	89%	0.888	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	56.9	-179.7	58.1	0	0	0	0	113.2
125	S	35.8	Very low	31.9	Very low	82 Å²	82	140.6 Å²	140.6	57%	0.573	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.7	-39.4	-178.3	55.8	0	0	0	0	114.3	L123 H127	L123-S125 PolarHBondContact O-N 3.37Å; S125-H127 PolarHBondContact O-N 2.87Å
126	N	33.1	Very low	31.9	Very low	124 Å²	124	143.5 Å²	143.5	66%	0.663	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-85.1	-3.9	-174.9	-75.6	-20.2	0	0	0	115.3	F128	N126-F128 PolarHBondContact O-N 2.94Å
127	H	35.8	Very low	31.6	Very low	143 Å²	143	144.3 Å²	144.3	66%	0.662	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-69	-16.5	-179.4	-141	87.6	0	0	0	113.7	S125 W129	S125-H127 PolarHBondContact O-N 2.87Å; H127-W129 PolarHBondContact O-N 2.96Å
128	F	33	Very low	31.4	Very low	152 Å²	152	142.4 Å²	142.4	67%	0.667	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-80	-10.1	-172.8	-109.8	-85.1	0	0	0	115.8	N126	N126-F128 PolarHBondContact O-N 2.94Å
129	W	30.5	Very low	31.2	Very low	221 Å²	221	144.6 Å²	144.6	84%	0.837	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-37.1	-178.8	-132.3	76.7	0	0	0	113	H127	H127-W129 PolarHBondContact O-N 2.96Å
130	C	30.3	Very low	30.9	Very low	105 Å²	105	142.8 Å²	142.8	71%	0.709	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-75	-36.7	-179.8	-67.2	0	0	0	0	113.5	R132	C130-R132 PolarHBondContact O-N 2.97Å
131	Q	34	Very low	30.8	Very low	120 Å²	120	143.8 Å²	143.8	56%	0.561	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-69	-13.5	-179.1	-79.3	-174.4	-29.1	0	0	114.4
132	R	34.5	Very low	30.8	Very low	211 Å²	211	147.1 Å²	147.1	80%	0.796	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-99.5	0.7	-176.1	-143.9	167.5	-174.1	143.6	1.2	114.9	C130	C130-R132 PolarHBondContact O-N 2.97Å
133	V	32.9	Very low	30.8	Very low	105 Å²	105	151.2 Å²	151.2	64%	0.636	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-13.7	171.6	-176.9	0	0	0	0	111.5	H135	V133-H135 PolarHBondContact O-N 2.04Å
134	Q	30.8	Very low	30.8	Very low	152 Å²	152	151.9 Å²	151.9	71%	0.71	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	25.9	-173.4	-150.9	171.6	11.1	0	0	114.8
135	H	31.3	Very low	30.8	Very low	176 Å²	176	153.2 Å²	153.2	82%	0.815	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	18.7	-178.2	-144.1	-76.6	0	0	0	114	V133	V133-H135 PolarHBondContact O-N 2.04Å
136	F	29	Very low	30.4	Very low	186 Å²	186	152.2 Å²	152.2	82%	0.816	76%	0.758	S	S	*	*	S	Bend	trans	-127.7	3.9	172.8	-110.5	-81.8	0	0	0	114.6
137	C	27.1	Very low	30.1	Very low	119 Å²	119	150.6 Å²	150.6	80%	0.804	76%	0.756	S	S	*	*			trans	-144.2	84.9	175.8	-86.5	0	0	0	0	110.4
138	C	26.3	Very low	30	Very low	121 Å²	121	150.2 Å²	150.2	82%	0.818	76%	0.755	S	S	*	*			trans	-135.2	37.7	178.3	-148.1	0	0	0	0	113.2
139	L	26.6	Very low	29.9	Very low	179 Å²	179	150.5 Å²	150.5	94%	0.937	76%	0.762	S	S	*	*	S	Bend	trans	-129.1	53.7	175.9	-89.2	170.7	0	0	0	111.6
140	S	26.8	Very low	29.9	Very low	116 Å²	116	143.4 Å²	143.4	81%	0.811	76%	0.757	S	S	*	*			trans	-167.7	56.2	173.7	43.7	0	0	0	0	114.1
141	A	27.5	Very low	29.9	Very low	101 Å²	101	144 Å²	144	84%	0.835	76%	0.762	S	S	*	*			trans	-117	23.9	-179.4	0	0	0	0	0	115.1
142	R	30.2	Very low	29.7	Very low	252 Å²	252	146 Å²	146	95%	0.951	78%	0.777	S	S	*	*			trans	-141.1	65.3	172.3	-78	-167.9	173	173.4	-0.3	113.3
143	R	30.6	Very low	29.5	Very low	242 Å²	242	144 Å²	144	91%	0.913	78%	0.776	S	S	*	*			trans	-118.8	95.9	163.9	-87.1	-169.4	171.9	-175.1	-0.3	111
144	L	28.8	Very low	29.4	Very low	156 Å²	156	145.4 Å²	145.4	82%	0.817	78%	0.779	S	S	*	*			trans	-157.3	52.5	168.1	-130.1	172	0	0	0	114.9
145	K	31.3	Very low	29.3	Very low	155 Å²	155	144.4 Å²	144.4	67%	0.674	78%	0.777	S	S	*	*			trans	-169.3	153.4	143.3	-106.4	151	-172.6	173	0	111	I178	K145-I178 HydrophobicContact CG-CG2 4.29Å
146	A	27.6	Very low	29.2	Very low	60 Å²	60	144.6 Å²	144.6	50%	0.496	78%	0.775	S	S	.	*			trans	-130.6	-174.1	-179.3	0	0	0	0	0	110	I178	A146-I178 HydrophobicContact CB-CD1 3.67Å
147	C	27.5	Very low	29.3	Very low	91 Å²	91	145.7 Å²	145.7	62%	0.615	78%	0.775	S	S	*	*			trans	75.2	132.3	-164.6	-48.8	0	0	0	0	111.3	L175	C147-L175 HydrophobicContact CB-CD2 4.02Å; C147-L175 VanDerWaalsContact SG-CD2 3.56Å
148	Q	32.8	Very low	29.4	Very low	135 Å²	135	147.2 Å²	147.2	63%	0.631	78%	0.776	S	S	*	*			cis	-158.9	123.9	4.5	-148.3	171.1	-35.3	0	0	107.3	L175	Q148-L175 VanDerWaalsContact CD-CD2 3.45Å; Q148-L175 HydrophobicContact CG-CD2 4.05Å
149	I	32.3	Very low	29.8	Very low	158 Å²	158	147.1 Å²	147.1	81%	0.81	78%	0.776	S	S	*	*				31.5	112.5	98.1	-50.6	174.2	0	0	0	111.3
150	G	29.7	Very low	30.1	Very low	71 Å²	71	145.8 Å²	145.8	73%	0.732	77%	0.77	S	S	*	*			cis	92.1	142.5	34.5	0	0	0	0	0	110.1
151	S	31.1	Very low	30.6	Very low	118 Å²	118	148 Å²	148	83%	0.825	77%	0.773	S	S	*	*			cis	-160.9	144.1	-9.8	179.7	0	0	0	0	106.5
152	D	28.4	Very low	30.6	Very low	163 Å²	163	148.3 Å²	148.3	87%	0.872	77%	0.768	S	S	*	*			trans	-86.3	123	-176.1	-104.8	-33.4	0	0	0	112.3
153	H	30.7	Very low	31.3	Very low	167 Å²	167	139.1 Å²	139.1	77%	0.773	74%	0.742	S	S	*	*			trans	-156.6	148	175.1	-126	-100.6	0	0	0	113.7
154	I	31.7	Very low	31.9	Very low	136 Å²	136	132.6 Å²	132.6	70%	0.697	73%	0.729	S	S	*	*			trans	79.9	78.2	163.7	-49.6	176.3	0	0	0	118.1
155	I	28.8	Very low	32.6	Very low	130 Å²	130	131.2 Å²	131.2	67%	0.667	72%	0.722	S	S	*	*				62.4	113	103.2	-63.5	165.8	0	0	0	120.1
156	K	28.8	Very low	33.2	Very low	180 Å²	180	128.9 Å²	128.9	78%	0.783	71%	0.714	S	S	*	*			trans	72.9	148.1	144.3	-69.1	170.8	-173.1	169.7	0	122.2
157	Y	31.1	Very low	33.9	Very low	209 Å²	209	132.3 Å²	132.3	82%	0.82	72%	0.718	S	S	*	*			trans	76.7	100.3	162.4	-74.2	-67.8	0	0	0	120.6
158	N	29.7	Very low	34.6	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	71%	0.711	S	S	*	*			trans	27	94	139.5	-64.6	0.9	0	0	0	119.2
159	S	33.7	Very low	35.4	Very low	119 Å²	119	132.8 Å²	132.8	83%	0.832	71%	0.714	S	S	*	*				-174.5	161.1	121.3	37.2	0	0	0	0	111.2
160	N	32.5	Very low	36.1	Very low	151 Å²	151	131.8 Å²	131.8	81%	0.807	71%	0.709	S	S	*	*			trans	-93.7	162.2	-174.5	-65.6	-18.9	0	0	0	112.5
161	N	37	Very low	36.7	Very low	163 Å²	163	132.9 Å²	132.9	87%	0.872	70%	0.697	S	S	*	*			trans	78.3	103.6	165.7	-52.6	-17.9	0	0	0	117.2
162	C	29.1	Very low	37.2	Very low	107 Å²	107	134.1 Å²	134.1	72%	0.723	70%	0.695	S	S	*	*			trans	-121.6	146.3	142.3	-178.6	0	0	0	0	107.3	E166	C162-E166 PolarHBondContact SG-OE2 2.78Å
163	S	45	Very low	37.9	Very low	58 Å²	58	135.2 Å²	135.2	41%	0.406	69%	0.692	S	S	.	*			trans	-97.7	154.4	-165.8	72.7	0	0	0	0	114.1	N165 E166 F167	S163-N165 PolarHBondContact O-N 3.14Å; S163-N165 VanDerWaalsContact O-N 3.07Å; S163-E166 WeakPolarHBondContact CB-OE2 3.25Å; S163-E166 PolarHBondContact N-OE2 2.75Å; S163-E166 PolarHBondContact O-N 3.33Å; S163-E166 PolarHBondContact OG-OE2 3.17Å; S163-F167 PolarHBondContact O-N 2.87Å
164	T	42	Very low	38.3	Very low	105 Å²	105	138.3 Å²	138.3	64%	0.644	70%	0.696	S	S	*	*	H	α-helix	trans	-55.3	-29	178.8	-41	0	0	0	0	113.2	N168	T164-N168 PolarHBondContact O-N 2.94Å; T164-N168 VanDerWaalsContact O-N 3.13Å; T164-N168 PolarHBondContact O-ND2 2.58Å
165	N	44.1	Very low	38.4	Very low	127 Å²	127	135.5 Å²	135.5	68%	0.679	68%	0.683	S	S	*	*	H	α-helix	trans	-75.1	-31.1	179.7	-68.7	-14.5	0	0	0	112.8	S163 H169	S163-N165 PolarHBondContact O-N 3.14Å; S163-N165 VanDerWaalsContact O-N 3.07Å; N165-H169 PolarHBondContact O-N 2.91Å
166	E	44.4	Very low	38.9	Very low	107 Å²	107	135.5 Å²	135.5	50%	0.5	69%	0.689	S	S	.	*	H	α-helix	trans	-73.9	-38.6	176.1	-67.5	161.7	116.7	0	0	110.8	C162 S163 H169 L170	C162-E166 PolarHBondContact SG-OE2 2.78Å; S163-E166 WeakPolarHBondContact CB-OE2 3.25Å; S163-E166 PolarHBondContact N-OE2 2.75Å; S163-E166 PolarHBondContact O-N 3.33Å; S163-E166 PolarHBondContact OG-OE2 3.17Å; E166-H169 PolarHBondContact O-N 3.4Å; E166-L170 PolarHBondContact O-N 3.35Å
167	F	41.8	Very low	38.9	Very low	132 Å²	132	132.8 Å²	132.8	58%	0.579	69%	0.69	S	S	*	*	H	α-helix	trans	-59.7	-48.7	172.2	-177.1	-102.7	0	0	0	112.1	S163 H169 L170 I171	S163-F167 PolarHBondContact O-N 2.87Å; F167-H169 VanDerWaalsContact C-N 3.29Å; F167-H169 PolarHBondContact O-N 2.79Å; F167-L170 PolarHBondContact O-N 2.81Å; F167-I171 HydrophobicContact CD1-CD1 3.89Å; F167-I171 HydrophobicContact CE1-CD1 3.4Å; F167-I171 VanDerWaalsContact CE1-CD1 3.4Å; F167-I171 HydrophobicContact CZ-CD1 3.81Å; F167-I171 PolarHBondContact O-N 3.24Å
168	N	43	Very low	38.9	Very low	87 Å²	87	126.7 Å²	126.7	47%	0.465	67%	0.67	S	S	.	*	H	α-helix	trans	-60.1	-37.7	178.1	-71.6	-19.4	0	0	0	112.4	T164 L170 I171 D172	T164-N168 PolarHBondContact O-N 2.94Å; T164-N168 VanDerWaalsContact O-N 3.13Å; T164-N168 PolarHBondContact O-ND2 2.58Å; N168-L170 VanDerWaalsContact C-N 3.27Å; N168-L170 PolarHBondContact O-N 3.43Å; N168-I171 PolarHBondContact O-N 3.1Å; N168-D172 PolarHBondContact O-N 3.3Å
169	H	48	Very low	38.9	Very low	148 Å²	148	124 Å²	124	69%	0.685	67%	0.67	S	S	*	*	H	α-helix	trans	-71.4	-19.3	-179	-153	-30.8	0	0	0	113.6	N165 E166 F167	N165-H169 PolarHBondContact O-N 2.91Å; E166-H169 PolarHBondContact O-N 3.4Å; F167-H169 VanDerWaalsContact C-N 3.29Å; F167-H169 PolarHBondContact O-N 2.79Å
170	L	47.4	Very low	38.7	Very low	138 Å²	138	129.9 Å²	129.9	72%	0.723	67%	0.674	S	S	*	*	H	α-helix	trans	-82.3	-33.8	173.8	-84.3	162.1	0	0	0	113.2	E166 F167 N168	E166-L170 PolarHBondContact O-N 3.35Å; F167-L170 PolarHBondContact O-N 2.81Å; N168-L170 VanDerWaalsContact C-N 3.27Å; N168-L170 PolarHBondContact O-N 3.43Å
171	I	41.9	Very low	38.6	Very low	94 Å²	94	130.2 Å²	130.2	48%	0.482	67%	0.67	S	S	.	*	H	α-helix	trans	-66.7	-41.3	177.7	-74.2	166.7	0	0	0	111.4	F167 N168 K173 R174	F167-I171 HydrophobicContact CD1-CD1 3.89Å; F167-I171 HydrophobicContact CE1-CD1 3.4Å; F167-I171 VanDerWaalsContact CE1-CD1 3.4Å; F167-I171 HydrophobicContact CZ-CD1 3.81Å; F167-I171 PolarHBondContact O-N 3.24Å; N168-I171 PolarHBondContact O-N 3.1Å; I171-K173 PolarHBondContact O-N 3.26Å; I171-R174 PolarHBondContact O-N 2.86Å
172	D	42.2	Very low	38.1	Very low	143 Å²	143	127.8 Å²	127.8	77%	0.765	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	3.6	-169.7	-147.4	38.3	0	0	0	115.1	N168	N168-D172 PolarHBondContact O-N 3.3Å
173	K	43.2	Very low	38.1	Very low	187 Å²	187	128.5 Å²	128.5	81%	0.813	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.1	5.2	-173.5	-141.3	177	-174.7	178.1	0	116	I171	I171-K173 PolarHBondContact O-N 3.26Å
174	R	39.4	Very low	37.3	Very low	231 Å²	231	133.3 Å²	133.3	87%	0.872	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.7	-5.6	-178.1	-81.2	-168.6	172	-170.1	-2.1	117.8	I171	I171-R174 PolarHBondContact O-N 2.86Å
175	L	34.3	Very low	36.7	Very low	78 Å²	78	133.5 Å²	133.5	41%	0.408	69%	0.694	S	S	.	*			trans	-130.1	56.3	-174.7	-89	104.8	0	0	0	115.9	C147 Q148	C147-L175 HydrophobicContact CB-CD2 4.02Å; C147-L175 VanDerWaalsContact SG-CD2 3.56Å; Q148-L175 VanDerWaalsContact CD-CD2 3.45Å; Q148-L175 HydrophobicContact CG-CD2 4.05Å
176	T	37.4	Very low	35.9	Very low	129 Å²	129	135.7 Å²	135.7	79%	0.791	70%	0.7	S	S	*	*			trans	-150.9	115.4	157.8	20.7	0	0	0	0	106.8
177	P	30.6	Very low	35	Very low	124 Å²	124	137.9 Å²	137.9	81%	0.805	72%	0.715	S	S	*	*	S	Bend		-145.3	115.5	50	35.9	-14.3	0	0	0	116
178	I	30.2	Very low	34.4	Very low	80 Å²	80	139.3 Å²	139.3	41%	0.41	73%	0.727	S	S	.	*	S	Bend	trans	-148.6	3.5	159.6	-124	165.1	0	0	0	114.6	K145 A146	K145-I178 HydrophobicContact CG-CG2 4.29Å; A146-I178 HydrophobicContact CB-CD1 3.67Å
179	A	28.8	Very low	33.8	Very low	97 Å²	97	147.4 Å²	147.4	80%	0.802	75%	0.751	S	S	*	*			trans	-118	48.9	-172.8	0	0	0	0	0	113.1
180	R	30.1	Very low	32.8	Very low	242 Å²	242	151.8 Å²	151.8	91%	0.913	76%	0.762	S	S	*	*			trans	-137.7	25.5	178.3	-121.7	178.4	-168	178.6	4.6	116.3
181	E	30.5	Very low	32	Very low	157 Å²	157	155 Å²	155	73%	0.734	77%	0.769	S	S	*	*	S	Bend	trans	-140.4	126.7	171	-88.4	-67.1	162.3	0	0	109.7
182	C	27.7	Very low	31.4	Very low	112 Å²	112	155.4 Å²	155.4	76%	0.757	78%	0.781	S	S	*	*			cis	-147.8	161.2	-40.4	-165	0	0	0	0	107.3
183	C	27.4	Very low	30.8	Very low	122 Å²	122	156 Å²	156	82%	0.824	78%	0.784	S	S	*	*			trans	-124.8	105	-176.9	-172.9	0	0	0	0	111.6
184	L	29.9	Very low	30.3	Very low	159 Å²	159	153.7 Å²	153.7	83%	0.832	78%	0.779	S	S	*	*			trans	-159.3	148.5	171.6	-144.7	67.8	0	0	0	112.6
185	C	27.6	Very low	29.9	Very low	109 Å²	109	149.4 Å²	149.4	74%	0.736	77%	0.773	S	S	*	*			trans	23.1	120.1	168	-59.4	0	0	0	0	119.8
186	Q	27.4	Very low	29.9	Very low	174 Å²	174	154 Å²	154	81%	0.813	79%	0.793	S	S	*	*				56.6	122.5	65.6	-73.2	-157.7	-7	0	0	117.3
187	L	26	Very low	29.6	Very low	153 Å²	153	155.6 Å²	155.6	80%	0.801	80%	0.796	S	S	*	*			trans	73.3	160	155.8	-63.4	166.7	0	0	0	118.3
188	I	29	Very low	29.7	Very low	162 Å²	162	154.9 Å²	154.9	83%	0.831	80%	0.795	S	S	*	*			trans	71.4	105.9	-172.6	-49.8	168.4	0	0	0	110.5
189	W	30.1	Very low	29.7	Very low	256 Å²	256	158.3 Å²	158.3	97%	0.97	81%	0.813	S	S	*	*			cis	-125.2	137.9	40.9	-126.7	34.3	0	0	0	113.2
190	R	28.8	Very low	29.9	Very low	241 Å²	241	161.7 Å²	161.7	91%	0.909	81%	0.81	S	S	*	*			trans	-160	96	176	-176	-170.5	-176.2	-170.8	3.7	112.6
191	K	28.7	Very low	30	Very low	204 Å²	204	157.5 Å²	157.5	89%	0.887	80%	0.798	S	S	*	*			trans	-174.6	157.8	156.2	-115.4	172.7	-178.6	-178.9	0	113.4
192	S	29.9	Very low	30.1	Very low	104 Å²	104	156.8 Å²	156.8	73%	0.727	80%	0.8	S	S	*	*			trans	66.4	128.1	174.6	-59	0	0	0	0	115.1
193	L	31	Very low	30.4	Very low	156 Å²	156	160.1 Å²	160.1	82%	0.817	80%	0.801	S	S	*	*			cis	-130.7	130.3	-0.1	-71.4	99.1	0	0	0	107.6
194	L	31.5	Very low	30.4	Very low	138 Å²	138	164 Å²	164	72%	0.723	81%	0.807	S	S	*	*				78.3	118.1	71.9	-77.7	165.1	0	0	0	115.1
195	N	30.4	Very low	30.5	Very low	140 Å²	140	162.9 Å²	162.9	75%	0.749	80%	0.797	S	S	*	*			trans	70.2	138.6	160.9	-57.1	5.4	0	0	0	116.5
196	E	34.6	Very low	30.5	Very low	176 Å²	176	163.6 Å²	163.6	82%	0.822	80%	0.804	S	S	*	*			cis	-133.3	153.3	-3.1	-65.8	-164.2	126.1	0	0	109
197	N	31.2	Very low	30.6	Very low	161 Å²	161	161.9 Å²	161.9	86%	0.861	81%	0.805	S	S	*	*			cis	88.5	56	44.2	-93.5	4.9	0	0	0	118.1
198	S	34.1	Very low	30.8	Very low	110 Å²	110	163.9 Å²	163.9	77%	0.769	81%	0.81	S	S	*	*			trans	-160.4	130	145.7	55.1	0	0	0	0	111.1
199	L	28.9	Very low	30.8	Very low	151 Å²	151	162.1 Å²	162.1	79%	0.791	81%	0.812	S	S	*	*				65.1	120.1	75.3	-133.1	75.2	0	0	0	111.4
200	F	32.5	Very low	30.9	Very low	169 Å²	169	154.5 Å²	154.5	74%	0.741	80%	0.804	S	S	*	*			cis	-152.3	-171.3	9.7	-147.1	-142.2	0	0	0	112.9
201	K	33.2	Very low	31	Very low	154 Å²	154	149.2 Å²	149.2	67%	0.67	80%	0.802	S	S	*	*			trans	-60.9	161.4	176	-39.4	167.3	174.6	178.5	0	112.1
202	D	33.2	Very low	31.3	Very low	142 Å²	142	145 Å²	145	76%	0.759	80%	0.796	S	S	*	*			cis	-165.1	133.1	48.1	-91.7	-49.4	0	0	0	111.9
203	K	32.6	Very low	31.2	Very low	181 Å²	181	147.5 Å²	147.5	79%	0.787	80%	0.801	S	S	*	*			trans	171.9	141.4	139.9	-102.3	-177.7	167.9	-153.8	0	110.5	E205	K203-E205 IonicContact NZ-OE1 3.22Å; K203-E205 PolarHBondContact NZ-OE1 2.84Å
204	Q	28.7	Very low	31.2	Very low	203 Å²	203	143.8 Å²	143.8	95%	0.949	80%	0.8	S	S	*	*			trans	-102.7	107.9	167.2	-74.5	-177.5	-99	0	0	109.5
205	E	31	Very low	31.1	Very low	136 Å²	136	144.5 Å²	144.5	64%	0.636	81%	0.805	S	S	*	*			trans	-128.2	165.1	163.7	-70.5	172.2	-160.6	0	0	107.6	K203	K203-E205 IonicContact NZ-OE1 3.22Å; K203-E205 PolarHBondContact NZ-OE1 2.84Å
206	S	28.5	Very low	31	Very low	124 Å²	124	143.8 Å²	143.8	87%	0.867	81%	0.81	S	S	*	*			trans	50.8	64.7	170.5	59.2	0	0	0	0	119.9
207	V	29.3	Very low	30.7	Very low	139 Å²	139	141.7 Å²	141.7	84%	0.842	81%	0.813	S	S	*	*			trans	-132.2	80.7	153.4	-173.2	0	0	0	0	111.5
208	Q	30.6	Very low	30.7	Very low	195 Å²	195	138.7 Å²	138.7	91%	0.911	81%	0.805	S	S	*	*			trans	177.6	95.3	147	-102.7	167.7	4.4	0	0	111.8
209	S	28.6	Very low	30.4	Very low	124 Å²	124	139.6 Å²	139.6	87%	0.867	81%	0.811	S	S	*	*			trans	-155.7	83.9	167	47.1	0	0	0	0	111.5
210	A	31.8	Very low	30.4	Very low	97 Å²	97	139.1 Å²	139.1	80%	0.802	81%	0.808	S	S	*	*	S	Bend	trans	-161.6	96.3	168.7	0	0	0	0	0	112.9
211	C	31.4	Very low	30.2	Very low	129 Å²	129	137.9 Å²	137.9	87%	0.872	81%	0.809	S	S	*	*			trans	70.3	154.6	156.9	-63	0	0	0	0	119.9
212	P	34.2	Very low	30.1	Very low	115 Å²	115	140.4 Å²	140.4	75%	0.747	82%	0.82	S	S	*	*			trans	-139	-169.7	-141.2	41.9	-21.5	0	0	0	116.2
213	N	28.2	Very low	30	Very low	157 Å²	157	141 Å²	141	84%	0.84	82%	0.822	S	S	*	*			trans	16	118.2	154.8	-63.5	-12	0	0	0	119.5
214	G	29.8	Very low	29.8	Very low	78 Å²	78	139.2 Å²	139.2	80%	0.804	82%	0.82	S	S	*	*			trans	-144.1	59.7	179.1	0	0	0	0	0	115.4
215	N	30.5	Very low	30	Very low	153 Å²	153	135.9 Å²	135.9	82%	0.818	81%	0.806	S	S	*	*			trans	42.2	124.4	150.1	-62.1	-5.4	0	0	0	123.1
216	C	27.7	Very low	30	Very low	126 Å²	126	136.8 Å²	136.8	85%	0.851	81%	0.811	S	S	*	*				67.7	61.2	128.8	-147.3	0	0	0	0	120.8
217	C	29.1	Very low	30	Very low	132 Å²	132	137.5 Å²	137.5	89%	0.892	81%	0.805	S	S	*	*			trans	-156.4	147.1	144.7	-97.4	0	0	0	0	107.8
218	S	30.8	Very low	30	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	80%	0.795	S	S	*	*			cis	-159	129.9	9.4	49.9	0	0	0	0	111.4	L220	S218-L220 PolarHBondContact O-N 2.62Å
219	S	28.5	Very low	30	Very low	128 Å²	128	132.2 Å²	132.2	90%	0.895	78%	0.782	S	S	*	*			trans	-87.3	72.8	170.8	-66.6	0	0	0	0	112
220	L	27.5	Very low	30	Very low	142 Å²	142	132.8 Å²	132.8	74%	0.743	78%	0.78	S	S	*	*			trans	-158.2	162.4	164.9	-136.5	71.5	0	0	0	110.7	S218	S218-L220 PolarHBondContact O-N 2.62Å
221	N	29.6	Very low	29.9	Very low	142 Å²	142	132.8 Å²	132.8	76%	0.759	77%	0.774	S	S	*	*			trans	70.2	61.3	172.8	-54.9	-16.5	0	0	0	118.1
222	K	31.4	Very low	29.7	Very low	207 Å²	207	131.1 Å²	131.1	90%	0.9	76%	0.764	S	S	*	*			trans	-147.4	28.4	138	-132.4	175.3	-175.2	179.2	0	116.7
223	I	29.2	Very low	29.5	Very low	155 Å²	155	134.9 Å²	134.9	80%	0.795	77%	0.769	S	S	*	*	S	Bend	trans	-95.7	143.6	144.6	-61.2	173.6	0	0	0	104.9
224	L	29.1	Very low	29.3	Very low	144 Å²	144	132.8 Å²	132.8	75%	0.754	77%	0.766	S	S	*	*			trans	73.9	126.6	-163.5	-52.1	168.6	0	0	0	112.4
225	M	32.4	Very low	29.5	Very low	133 Å²	133	134 Å²	134	66%	0.655	76%	0.76	S	S	*	*			cis	-134.4	132.9	-14.6	-53.1	-167.5	85.8	0	0	107
226	E	30.9	Very low	29.3	Very low	155 Å²	155	134.7 Å²	134.7	72%	0.724	76%	0.76	S	S	*	*				74.3	139.4	103.5	-63.9	178	164.1	0	0	115.4
227	D	30	Very low	29.4	Very low	139 Å²	139	136.9 Å²	136.9	74%	0.743	76%	0.762	S	S	*	*			trans	64.2	135.1	155.7	-77.6	22	0	0	0	120.3
228	N	29.2	Very low	29.3	Very low	118 Å²	118	138.5 Å²	138.5	63%	0.631	76%	0.759	S	S	*	*			cis	-159.8	171.8	-1.7	-140.8	-43.1	0	0	0	113.2
229	T	29.3	Very low	29.3	Very low	104 Å²	104	139.5 Å²	139.5	64%	0.638	77%	0.765	S	S	*	*			trans	58.3	118.3	153.3	51.5	0	0	0	0	121.8
230	T	30.1	Very low	29.5	Very low	137 Å²	137	140.2 Å²	140.2	84%	0.84	76%	0.759	S	S	*	*			trans	69.6	152.9	134.6	61.2	0	0	0	0	120.7
231	S	28.3	Very low	29.7	Very low	96 Å²	96	139.9 Å²	139.9	67%	0.671	76%	0.758	S	S	*	*			cis	-170.1	128.8	-22.3	175.3	0	0	0	0	111.8
232	S	27.9	Very low	29.9	Very low	95 Å²	95	139 Å²	139	66%	0.664	76%	0.76	S	S	*	*			trans	69	151	148.1	75.8	0	0	0	0	122.2
233	K	29.9	Very low	30.1	Very low	194 Å²	194	133.8 Å²	133.8	84%	0.843	75%	0.75	S	S	*	*			trans	89.1	95.9	156.8	-61.1	-177.8	-177.6	-179.4	0	121
234	S	23.8	Very low	30.3	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	76%	0.755	S	S	*	*				-74.9	-174	128.5	-19.6	0	0	0	0	110.3
235	P	35.2	Very low	30.3	Very low	104 Å²	104	136 Å²	136	68%	0.675	76%	0.763	S	S	*	*			cis	-134.2	-172.3	-14.7	40.6	-23.4	0	0	0	113.7
236	M	25.4	Very low	30.2	Very low	167 Å²	167	139.2 Å²	139.2	82%	0.823	77%	0.773	S	S	*	*			trans	53.1	135.8	149.5	-73.9	170.7	120.5	0	0	122.1
237	I	30.4	Very low	30.3	Very low	173 Å²	173	139.6 Å²	139.6	89%	0.887	78%	0.779	S	S	*	*				-167.8	148.8	124.8	-99.9	155.8	0	0	0	109.7
238	M	26.8	Very low	30.4	Very low	166 Å²	166	140.9 Å²	140.9	82%	0.818	78%	0.784	S	S	*	*			trans	-95.5	159.3	178	-56.8	148.7	56.8	0	0	111.7
239	S	31.1	Very low	30.5	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	79%	0.791	S	S	*	*			trans	-173	152.3	135	-161.5	0	0	0	0	112.1
240	D	32.3	Very low	30.6	Very low	143 Å²	143	144.5 Å²	144.5	77%	0.765	80%	0.799	S	S	*	*			trans	-93.6	157	-176.6	-38.5	-99.1	0	0	0	114.2
241	D	32.4	Very low	30.6	Very low	135 Å²	135	148.9 Å²	148.9	72%	0.722	80%	0.801	S	S	*	*			trans	-153.8	112.3	149.3	-170.9	-21.1	0	0	0	111.2	S243	D241-S243 PolarHBondContact OD1-OG 2.97Å
242	P	32.8	Very low	30.8	Very low	124 Å²	124	150.9 Å²	150.9	81%	0.805	80%	0.804	S	S	*	*			trans	-99	92.7	177.5	35.9	-30.3	0	0	0	113
243	S	35.4	Very low	30.8	Very low	98 Å²	98	152.6 Å²	152.6	69%	0.685	81%	0.811	S	S	*	*			trans	-137.7	2.3	177.9	-68.2	0	0	0	0	117.3	D241	D241-S243 PolarHBondContact OD1-OG 2.97Å
244	V	33.5	Very low	31.1	Very low	150 Å²	150	149.5 Å²	149.5	91%	0.909	81%	0.808	S	S	*	*			trans	-118.9	76.6	-172.5	-168.5	0	0	0	0	112.6
245	Q	29.9	Very low	31.7	Very low	195 Å²	195	148.9 Å²	148.9	91%	0.911	80%	0.799	S	S	*	*	S	Bend	trans	-138.4	24.7	174.5	-147.7	-167.3	25.4	0	0	114.8
246	K	30.2	Very low	31.8	Very low	200 Å²	200	151.7 Å²	151.7	87%	0.87	80%	0.804	S	S	*	*	S	Bend	trans	-156.9	78.9	178	-161.4	173.9	-173.5	176.8	0	113.7
247	I	31.9	Very low	32.4	Very low	164 Å²	164	151 Å²	151	84%	0.841	80%	0.798	S	S	*	*	S	Bend	trans	-162.9	-12.8	166.2	-115	155.9	0	0	0	116.1
248	I	33	Very low	32.7	Very low	165 Å²	165	149.6 Å²	149.6	85%	0.846	79%	0.791	S	S	*	*			trans	-108.4	71.6	178.1	-49.4	-173.5	0	0	0	111.1
249	T	30.6	Very low	33	Very low	130 Å²	130	145.7 Å²	145.7	80%	0.798	79%	0.785	S	S	*	*			trans	-144.1	155.7	156.5	-51.7	0	0	0	0	104.9
250	E	31.3	Very low	33.2	Very low	169 Å²	169	147.7 Å²	147.7	79%	0.79	78%	0.784	S	S	*	*			trans	74.1	68.5	-174.8	-50.1	-173.6	117.9	0	0	116.2
251	Y	30.8	Very low	33.3	Very low	228 Å²	228	147.2 Å²	147.2	89%	0.894	78%	0.78	S	S	*	*			trans	-150.8	113.7	143.9	-112.8	-83.2	0	0	0	108.8
252	L	32	Very low	33.3	Very low	138 Å²	138	147.6 Å²	147.6	72%	0.723	78%	0.78	S	S	*	*			cis	-176.3	138.4	-23.8	-114.4	164.6	0	0	0	104.2
253	T	28.9	Very low	33.2	Very low	132 Å²	132	146.6 Å²	146.6	81%	0.81	77%	0.771	S	S	*	*			trans	-98.7	134.2	-170.3	49.6	0	0	0	0	113.7
254	T	35.1	Very low	33	Very low	128 Å²	128	148 Å²	148	79%	0.785	78%	0.776	S	S	*	*			trans	-162.9	141.6	166.1	40.1	0	0	0	0	107.9
255	T	37.1	Very low	32.9	Very low	99 Å²	99	145.2 Å²	145.2	61%	0.607	76%	0.763	S	S	*	*			cis	-164.1	149.5	1.2	13.9	0	0	0	0	111.5
256	E	36.8	Very low	33	Very low	163 Å²	163	140.5 Å²	140.5	76%	0.762	75%	0.752	S	S	*	*			trans	68.1	151.7	136.2	-65.3	160.2	175.5	0	0	120.6
257	E	37.2	Very low	33	Very low	152 Å²	152	137 Å²	137	71%	0.71	75%	0.747	S	S	*	*			cis	-160.8	173.1	-0.7	-133	-173.7	170.8	0	0	114.6
258	I	36.8	Very low	33.1	Very low	145 Å²	145	135.3 Å²	135.3	74%	0.744	75%	0.747	S	S	*	*			trans	68	133	154.1	-69.2	160.2	0	0	0	116.5
259	A	34.2	Very low	33	Very low	84 Å²	84	133.9 Å²	133.9	69%	0.694	75%	0.746	S	S	*	*			cis	-164.1	170.8	0.5	0	0	0	0	0	108.3
260	M	34.8	Very low	32.9	Very low	159 Å²	159	133 Å²	133	78%	0.783	74%	0.74	S	S	*	*			cis	-161.3	145.2	6.6	-125	-171.2	-179.8	0	0	109.2
261	L	33.8	Very low	32.8	Very low	133 Å²	133	130.9 Å²	130.9	70%	0.696	74%	0.739	S	S	*	*			trans	58.6	142	148.4	-54.2	171.8	0	0	0	119.7
262	M	33.2	Very low	32.6	Very low	144 Å²	144	126.6 Å²	126.6	71%	0.709	73%	0.727	S	S	*	*			cis	-157.1	129.5	-5.5	-105.9	-67.4	-151.4	0	0	110.7
263	T	31.1	Very low	32.6	Very low	102 Å²	102	128 Å²	128	63%	0.626	73%	0.727	S	S	*	*			trans	34.1	126.8	140.6	59.9	0	0	0	0	122.9
264	T	30.4	Very low	32.5	Very low	128 Å²	128	126.7 Å²	126.7	79%	0.785	72%	0.723	S	S	*	*			trans	63.4	148.3	132.2	60.6	0	0	0	0	121
265	S	31.1	Very low	32.5	Very low	92 Å²	92	126.8 Å²	126.8	64%	0.643	72%	0.724	S	S	*	*			cis	-174.3	148.8	-15.4	49.9	0	0	0	0	111.1
266	S	32.4	Very low	32.1	Very low	96 Å²	96	126.3 Å²	126.3	67%	0.671	73%	0.73	S	S	*	*			trans	63.9	146.5	145.3	69.1	0	0	0	0	122.2
267	T	31.4	Very low	31.7	Very low	126 Å²	126	123.6 Å²	123.6	77%	0.773	73%	0.725	S	S	*	*			trans	79.5	124	163.9	70.9	0	0	0	0	118.5
268	P	33.2	Very low	31.4	Very low	129 Å²	129	122.6 Å²	122.6	84%	0.838	73%	0.729	S	S	*	*			trans	-95	141.3	166.7	35.9	-30.3	0	0	0	111.3
269	V	32	Very low	31	Very low	135 Å²	135	120.7 Å²	120.7	82%	0.818	72%	0.724	S	S	*	*			trans	-132.7	145.3	168.2	179.4	0	0	0	0	109.8
270	T	27.1	Very low	30.7	Very low	112 Å²	112	121.4 Å²	121.4	69%	0.687	72%	0.724	S	S	*	*			trans	-71.7	179.1	-170.2	52.1	0	0	0	0	115.1
271	T	29.6	Very low	30.4	Very low	124 Å²	124	119 Å²	119	76%	0.761	72%	0.718	S	S	*	*			trans	67.8	151.8	157.7	50.1	0	0	0	0	117.5
272	E	27.5	Very low	30	Very low	137 Å²	137	117.8 Å²	117.8	64%	0.64	72%	0.717	S	S	*	*			cis	-179.8	160	-27.4	-156.3	-177.6	-120.7	0	0	105.4
273	K	30	Very low	29.7	Very low	168 Å²	168	116.7 Å²	116.7	73%	0.73	72%	0.718	S	S	*	*			trans	66.7	120.6	171.3	-67.5	150.4	176.3	140.4	0	115
274	S	28.5	Very low	29.4	Very low	104 Å²	104	117.5 Å²	117.5	73%	0.727	72%	0.723	S	S	*	*				81.4	161.8	53.3	84.2	0	0	0	0	114.4
275	V	33.5	Very low	29.2	Very low	131 Å²	131	118.1 Å²	118.1	79%	0.794	72%	0.717	S	S	*	*			trans	75.2	96.6	-162.6	-168.5	0	0	0	0	111.9
276	A	29.7	Very low	29.1	Very low	88 Å²	88	120.8 Å²	120.8	73%	0.727	72%	0.717	S	S	*	*			cis	85.4	155.7	23.1	0	0	0	0	0	116.6
277	T	27.8	Very low	28.8	Very low	107 Å²	107	124.4 Å²	124.4	66%	0.656	72%	0.723	S	S	*	*			trans	88.5	93.3	168.9	-31.5	0	0	0	0	118	T279	T277-T279 HydrophobicContact CG2-CG2 4.31Å
278	T	32.4	Very low	28.7	Very low	130 Å²	130	125.2 Å²	125.2	80%	0.798	72%	0.722	S	S	*	*				-160.9	113.5	99.7	23.8	0	0	0	0	108.1
279	T	28.2	Very low	28.4	Very low	105 Å²	105	124 Å²	124	64%	0.644	71%	0.712	S	S	*	*				44	124.7	58.7	74.7	0	0	0	0	111.9	T277	T277-T279 HydrophobicContact CG2-CG2 4.31Å
280	S	28	Very low	28.3	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	71%	0.708	S	S	*	*			cis	172.9	-163.7	5.5	49.8	0	0	0	0	103.4
281	T	28	Very low	28.5	Very low	109 Å²	109	126.3 Å²	126.3	67%	0.669	72%	0.716	S	S	*	*			cis	-160.9	135.9	9.2	-12.3	0	0	0	0	107.4
282	T	25.7	Very low	28.7	Very low	108 Å²	108	128.8 Å²	128.8	66%	0.663	72%	0.718	S	S	*	*			trans	32.8	145.6	135.8	59.9	0	0	0	0	123.2
283	T	25.3	Very low	28.9	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	73%	0.727	S	S	*	*			trans	69.9	146	144.3	51.2	0	0	0	0	117.9
284	T	25.3	Very low	29	Very low	118 Å²	118	127.3 Å²	127.3	72%	0.724	72%	0.723	S	S	*	*			cis	-159	170.8	12	-10.2	0	0	0	0	112.3
285	E	27.6	Very low	28.9	Very low	142 Å²	142	129.4 Å²	129.4	66%	0.664	72%	0.719	S	S	*	*			trans	77.7	136	147.7	-77.8	-162.7	134.5	0	0	122.9
286	K	28.2	Very low	28.7	Very low	148 Å²	148	127.7 Å²	127.7	64%	0.643	71%	0.713	S	S	*	*			trans	73.2	91.1	142.3	-70.9	163.5	-177.1	146.7	0	121.2
287	Q	25.8	Very low	28.6	Very low	171 Å²	171	132.9 Å²	132.9	80%	0.799	72%	0.72	S	S	*	*				55.6	147.9	95.4	-158.3	-175.8	9.5	0	0	119
288	I	28.5	Very low	28.7	Very low	144 Å²	144	133.8 Å²	133.8	74%	0.738	72%	0.721	S	S	*	*			trans	86.1	129.3	172.3	-55.2	173.9	0	0	0	113.9
289	T	28.3	Very low	28.5	Very low	103 Å²	103	135.7 Å²	135.7	63%	0.632	73%	0.725	S	S	*	*			cis	-164.5	150.4	-17.7	28.8	0	0	0	0	109.9
290	D	28.6	Very low	28.6	Very low	137 Å²	137	136.1 Å²	136.1	73%	0.733	73%	0.727	S	S	*	*			trans	63.7	154.5	137.3	-51.1	-8.4	0	0	0	124.2
291	D	32.5	Very low	28.6	Very low	159 Å²	159	135 Å²	135	85%	0.85	73%	0.732	S	S	*	*			trans	85.3	110.7	157.3	-61.3	-14.5	0	0	0	122.7
292	E	34	Very low	28.6	Very low	175 Å²	175	133.4 Å²	133.4	82%	0.818	74%	0.737	S	S	*	*			trans	-75.5	159.5	176.3	-56.3	161.4	127.7	0	0	112.5
293	D	31.1	Very low	28.9	Very low	153 Å²	153	136.4 Å²	136.4	82%	0.818	75%	0.747	S	S	*	*				171	156.1	104.8	-105.9	-24.2	0	0	0	116.5
294	D	32.2	Very low	29.1	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	75%	0.747	S	S	*	*			trans	-30.2	144.6	-178.9	-85.4	-33.5	0	0	0	122.2
295	F	26.3	Very low	29.3	Very low	148 Å²	148	138 Å²	138	65%	0.649	75%	0.745	S	S	*	*				176.1	101.7	92.7	-102.5	-72.6	0	0	0	114	F297	F295-F297 HydrophobicContact CE1-CE2 4.18Å
296	S	30.1	Very low	29.5	Very low	96 Å²	96	136.9 Å²	136.9	67%	0.671	75%	0.75	S	S	*	*			trans	-158.4	123.3	151.8	63.5	0	0	0	0	110.8
297	F	26.8	Very low	29.5	Very low	197 Å²	197	136.4 Å²	136.4	86%	0.864	76%	0.755	S	S	*	*			trans	-74.2	148.4	-165.7	-108.3	-108.5	0	0	0	115.3	F295	F295-F297 HydrophobicContact CE1-CE2 4.18Å
298	N	28.9	Very low	29.6	Very low	126 Å²	126	134.8 Å²	134.8	67%	0.674	75%	0.751	S	S	*	*			trans	-89.6	148.6	-175.4	-86.8	-50.5	0	0	0	114.2	V300	N298-V300 HydrophobicContact CB-CG2 3.75Å; N298-V300 VanDerWaalsContact OD1-CG2 3.32Å; N298-V300 WeakPolarHBondContact OD1-CG2 3.45Å
299	L	29.1	Very low	29.6	Very low	170 Å²	170	138.1 Å²	138.1	89%	0.89	75%	0.754	S	S	*	*			trans	-179.9	77.9	132.2	-97	163.6	0	0	0	106.5
300	V	29.8	Very low	29.7	Very low	114 Å²	114	140.5 Å²	140.5	69%	0.691	76%	0.758	S	S	*	*				58	113.7	72.7	-173.9	0	0	0	0	111.3	N298	N298-V300 HydrophobicContact CB-CG2 3.75Å; N298-V300 VanDerWaalsContact OD1-CG2 3.32Å; N298-V300 WeakPolarHBondContact OD1-CG2 3.45Å
301	G	29	Very low	29.8	Very low	76 Å²	76	141.5 Å²	141.5	78%	0.784	76%	0.758	S	S	*	*			cis	-173.3	177.5	-2.2	0	0	0	0	0	113.4
302	G	28	Very low	30	Very low	75 Å²	75	138.7 Å²	138.7	77%	0.773	76%	0.757	S	S	*	*			trans	-143.5	168.6	173	0	0	0	0	0	110.7
303	I	31.5	Very low	29.9	Very low	171 Å²	171	136.6 Å²	136.6	88%	0.877	75%	0.751	S	S	*	*			trans	-134.1	122.8	169.3	-62.6	-179.7	0	0	0	107.1
304	D	30.5	Very low	30.1	Very low	141 Å²	141	137.5 Å²	137.5	75%	0.754	75%	0.754	S	S	*	*			trans	-95.4	169	167.8	-99.6	-55.7	0	0	0	110.8
305	L	28.9	Very low	30.3	Very low	131 Å²	131	137.8 Å²	137.8	69%	0.686	76%	0.756	S	S	*	*			trans	-33.5	158	171.2	-70.2	102.7	0	0	0	116.5
306	P	32.6	Very low	30.7	Very low	118 Å²	118	137.3 Å²	137.3	77%	0.766	76%	0.76	S	S	*	*			cis	-150.5	-168.6	41	43.9	-22.4	0	0	0	118.2
307	D	27.3	Very low	31	Very low	139 Å²	139	139 Å²	139	74%	0.743	76%	0.76	S	S	*	*			trans	-64.3	168.6	169.5	-54.1	-85.2	0	0	0	115
308	I	28.7	Very low	31.4	Very low	137 Å²	137	134.1 Å²	134.1	70%	0.703	75%	0.751	S	S	*	*			trans	135	136	141.1	-72.5	167.3	0	0	0	115.9
309	W	28.5	Very low	31.6	Very low	213 Å²	213	135.5 Å²	135.5	81%	0.807	76%	0.757	S	S	*	*			trans	74.5	125.9	166.8	-67.3	-26.8	0	0	0	118.9
310	E	29.4	Very low	31.7	Very low	154 Å²	154	133 Å²	133	72%	0.72	75%	0.749	S	S	*	*				79.5	138.6	59.6	-81.9	170.5	-145.8	0	0	112.7
311	E	30.9	Very low	31.8	Very low	158 Å²	158	134.2 Å²	134.2	74%	0.738	75%	0.752	S	S	*	*			cis	-163.8	163.6	-8.7	-158.3	169	-135.9	0	0	108.9
312	A	36	Very low	31.9	Very low	100 Å²	100	140 Å²	140	83%	0.826	76%	0.755	S	S	*	*			trans	-162.3	104.8	168.5	0	0	0	0	0	113.8
313	D	31.8	Very low	32	Very low	130 Å²	130	140.1 Å²	140.1	70%	0.695	75%	0.749	S	S	*	*			trans	-74.8	148.9	179.6	-67.1	-58.6	0	0	0	115.3
314	I	36.9	Very low	31.8	Very low	172 Å²	172	137.6 Å²	137.6	88%	0.882	74%	0.742	S	S	*	*			trans	-135.1	104.8	130.5	-58.8	-175.4	0	0	0	108.4
315	D	35.7	Very low	31.8	Very low	128 Å²	128	137 Å²	137	68%	0.684	74%	0.739	S	S	*	*			trans	-85	152.2	177.6	-172.1	12.3	0	0	0	112
316	N	35	Very low	31.8	Very low	137 Å²	137	136.7 Å²	136.7	73%	0.733	74%	0.738	S	S	*	*			trans	-170.6	102.9	149	-103.4	-57.3	0	0	0	114.9
317	I	36.6	Very low	31.7	Very low	131 Å²	131	138.5 Å²	138.5	67%	0.672	74%	0.736	S	S	*	*			trans	71.2	77.4	130.1	-58.6	179	0	0	0	118.3
318	S	33.9	Very low	31.8	Very low	95 Å²	95	137 Å²	137	66%	0.664	73%	0.731	S	S	*	*				92.8	155.2	104.7	86.3	0	0	0	0	124.1
319	L	34.3	Very low	31.7	Very low	155 Å²	155	135.4 Å²	135.4	81%	0.812	73%	0.729	S	S	*	*			trans	79.2	84.8	148.9	-74.7	166.1	0	0	0	120.5
320	T	30.3	Very low	31.7	Very low	118 Å²	118	131.8 Å²	131.8	72%	0.724	73%	0.725	S	S	*	*			trans	-55.9	145.7	151.3	49.3	0	0	0	0	114.2
321	N	33.1	Very low	31.6	Very low	140 Å²	140	129.6 Å²	129.6	75%	0.749	73%	0.727	S	S	*	*				178.8	118.9	126.2	-89.9	-49.2	0	0	0	108.3
322	K	30.5	Very low	31.5	Very low	196 Å²	196	127.7 Å²	127.7	85%	0.852	73%	0.725	S	S	*	*				88.1	129.1	53.4	-170.4	179.7	-173.4	177.3	0	112.8
323	A	29.2	Very low	30.9	Very low	78 Å²	78	128.3 Å²	128.3	65%	0.645	72%	0.719	S	S	*	*			trans	103.6	109.4	159.4	0	0	0	0	0	120.1
324	T	28.6	Very low	30.6	Very low	118 Å²	118	128.4 Å²	128.4	72%	0.724	73%	0.725	S	S	*	*				77.8	125.1	124.8	54.3	0	0	0	0	123.7
325	N	30	Very low	30.3	Very low	129 Å²	129	125.3 Å²	125.3	69%	0.69	72%	0.719	S	S	*	*				91.6	113.2	127.9	-69.4	8.5	0	0	0	122.1
326	N	29.1	Very low	30.1	Very low	125 Å²	125	125.2 Å²	125.2	67%	0.668	72%	0.723	S	S	*	*				91.7	115.5	120	-68.2	5	0	0	0	122.1
327	H	31.1	Very low	30.1	Very low	155 Å²	155	124.1 Å²	124.1	72%	0.718	72%	0.723	S	S	*	*				81.4	120.5	126.5	-86.5	-96.6	0	0	0	122.3
328	T	28	Very low	29.8	Very low	107 Å²	107	123.1 Å²	123.1	66%	0.656	73%	0.727	S	S	*	*				83.9	122.1	129.4	49.8	0	0	0	0	123.6
329	T	27.4	Very low	29.7	Very low	105 Å²	105	124.7 Å²	124.7	64%	0.644	73%	0.733	S	S	*	*			trans	74.1	113.6	130.7	58.1	0	0	0	0	121.9
330	D	27.1	Very low	29.5	Very low	137 Å²	137	123.1 Å²	123.1	73%	0.733	73%	0.73	S	S	*	*				72.2	101.2	117.9	-51.6	-15.9	0	0	0	122
331	S	27.3	Very low	29.5	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	73%	0.733	S	S	*	*				87.4	168.9	115.2	78.7	0	0	0	0	121.6
332	V	28.9	Very low	29.3	Very low	117 Å²	117	122.9 Å²	122.9	71%	0.709	73%	0.732	S	S	*	*			trans	83.4	84.8	161.3	-178.9	0	0	0	0	119.6
333	T	25.1	Very low	29.3	Very low	114 Å²	114	118.1 Å²	118.1	70%	0.699	72%	0.724	S	S	*	*			trans	62.6	151.8	130.8	64.9	0	0	0	0	124.7
334	T	25.3	Very low	29.5	Very low	131 Å²	131	124.1 Å²	124.1	80%	0.804	74%	0.735	S	S	*	*			trans	68.7	146.3	156.4	44.1	0	0	0	0	118.7
335	S	30.7	Very low	29.6	Very low	108 Å²	108	124 Å²	124	76%	0.755	73%	0.734	S	S	*	*			cis	-162.4	164.9	-5.1	44.7	0	0	0	0	113.4
336	T	31.3	Very low	29.7	Very low	126 Å²	126	124 Å²	124	77%	0.773	73%	0.734	S	S	*	*			trans	-52.1	167.4	165.7	47.7	0	0	0	0	115
337	P	34	Very low	29.8	Very low	113 Å²	113	125.9 Å²	125.9	73%	0.734	74%	0.739	S	S	*	*			cis	-155.3	167.7	37.4	43.8	-21.4	0	0	0	122.7
338	S	30	Very low	29.8	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	74%	0.739	S	S	*	*			trans	20.6	136.3	140.5	-46.6	0	0	0	0	125.6
339	T	33.5	Very low	29.9	Very low	128 Å²	128	124.1 Å²	124.1	79%	0.785	74%	0.739	S	S	*	*			trans	-170	117.1	131.2	20.3	0	0	0	0	111.1
340	T	28.7	Very low	30.1	Very low	122 Å²	122	126.7 Å²	126.7	75%	0.748	75%	0.748	S	S	*	*				62.6	143.2	98.9	64.9	0	0	0	0	116.9
341	L	30.7	Very low	30.4	Very low	150 Å²	150	123.6 Å²	123.6	79%	0.785	74%	0.741	S	S	*	*			cis	-163.8	152.8	16.4	-155.6	73.9	0	0	0	112.7
342	S	28.7	Very low	30.6	Very low	103 Å²	103	124.6 Å²	124.6	72%	0.72	74%	0.742	S	S	*	*			trans	37.7	160.8	145.6	-75.1	0	0	0	0	125
343	S	30.3	Very low	30.9	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	74%	0.741	S	S	*	*			cis	172.6	145.7	-23.1	60.1	0	0	0	0	110.8
344	K	34.1	Very low	31.3	Very low	204 Å²	204	125.4 Å²	125.4	89%	0.887	75%	0.745	S	S	*	*			trans	-179.2	164.8	133.1	-106.6	177.4	178.7	-173	0	115.6
345	T	29.9	Very low	31.9	Very low	115 Å²	115	124.5 Å²	124.5	71%	0.706	74%	0.741	S	S	*	*			trans	-95.9	178.1	-177.5	49.8	0	0	0	0	111.4
346	D	33.3	Very low	31.9	Very low	130 Å²	130	124.2 Å²	124.2	70%	0.695	74%	0.739	S	S	*	*				-153.1	144.4	51.9	-72.6	-43.4	0	0	0	111.7
347	Q	31.5	Very low	32.1	Very low	164 Å²	164	124.5 Å²	124.5	77%	0.766	74%	0.74	S	S	*	*				50.8	138.7	96.9	-52.4	-169.2	2.3	0	0	116.3
348	T	30.5	Very low	31.9	Very low	117 Å²	117	122.8 Å²	122.8	72%	0.718	74%	0.736	S	S	*	*			cis	-168.3	-173.6	-5.2	23.6	0	0	0	0	107.5
349	T	30.3	Very low	31.9	Very low	108 Å²	108	122.3 Å²	122.3	66%	0.663	73%	0.732	S	S	*	*			cis	-168.8	166.8	14.2	-8.3	0	0	0	0	110.5
350	I	31.1	Very low	31.8	Very low	159 Å²	159	122.8 Å²	122.8	82%	0.815	74%	0.735	S	S	*	*			trans	69.4	139.7	146.9	-73.1	162.1	0	0	0	119.4
351	A	34	Very low	32.2	Very low	71 Å²	71	123.2 Å²	123.2	59%	0.587	74%	0.74	S	S	*	*			cis	-171.6	156.1	-21.1	0	0	0	0	0	113
352	T	30.4	Very low	32.1	Very low	129 Å²	129	119.2 Å²	119.2	79%	0.791	74%	0.735	S	S	*	*			trans	54.5	150.6	150.3	49.5	0	0	0	0	121.1
353	S	35.6	Very low	32.3	Very low	97 Å²	97	121.6 Å²	121.6	68%	0.678	75%	0.746	S	S	*	*			cis	-165	136.9	11	14.2	0	0	0	0	109.4
354	I	34.6	Very low	32.2	Very low	152 Å²	152	122.8 Å²	122.8	78%	0.779	75%	0.749	S	S	*	*				72.3	133.5	80.8	-67.4	166.4	0	0	0	114.2
355	P	36.8	Very low	32.1	Very low	111 Å²	111	120 Å²	120	72%	0.721	75%	0.749	S	S	*	*			cis	-147.6	-160.6	-18.3	44.6	-22.9	0	0	0	117.3
356	S	31.3	Very low	32	Very low	102 Å²	102	120.4 Å²	120.4	71%	0.713	75%	0.751	S	S	*	*			trans	-22	165.1	163.8	51.7	0	0	0	0	121.6
357	V	34.8	Very low	31.9	Very low	132 Å²	132	119 Å²	119	80%	0.8	76%	0.758	S	S	*	*				-177.1	161.7	67.3	169.2	0	0	0	0	108.1
358	A	30.5	Very low	31.8	Very low	78 Å²	78	117.3 Å²	117.3	65%	0.645	76%	0.759	S	S	*	*			cis	175.3	159	-33.3	0	0	0	0	0	108.2
359	S	29.6	Very low	31.9	Very low	100 Å²	100	116.5 Å²	116.5	70%	0.699	76%	0.758	S	S	*	*			trans	67	118	146.6	59.9	0	0	0	0	125.5
360	T	32.2	Very low	31.8	Very low	137 Å²	137	117.4 Å²	117.4	84%	0.84	76%	0.764	S	S	*	*				85.4	153.6	129.7	53.1	0	0	0	0	123.7
361	P	36.5	Very low	31.7	Very low	131 Å²	131	115.2 Å²	115.2	85%	0.851	76%	0.758	S	S	*	*			trans	-124.2	175	-160.7	43.6	-29.7	0	0	0	116.5
362	G	29.1	Very low	31.4	Very low	67 Å²	67	117.8 Å²	117.8	69%	0.691	77%	0.766	S	S	*	*			trans	140.4	153	143.1	0	0	0	0	0	119.6
363	T	32.8	Very low	31.6	Very low	152 Å²	152	116.9 Å²	116.9	93%	0.933	77%	0.765	S	S	*	*			trans	83.3	144.6	162.6	-9.6	0	0	0	0	119.8
364	T	27.7	Very low	31.3	Very low	122 Å²	122	117.3 Å²	117.3	75%	0.748	77%	0.768	S	S	*	*			trans	-104.2	154.7	-169	46.5	0	0	0	0	113.9
365	V	32	Very low	31.3	Very low	147 Å²	147	114.9 Å²	114.9	89%	0.891	76%	0.762	S	S	*	*			trans	-145.8	143	139.4	170.7	0	0	0	0	108.9
366	T	27	Very low	30.9	Very low	122 Å²	122	115.8 Å²	115.8	75%	0.748	77%	0.766	S	S	*	*			trans	-105.8	142.7	180	-44.9	0	0	0	0	111.5
367	A	32.3	Very low	30.9	Very low	102 Å²	102	115.1 Å²	115.1	84%	0.843	76%	0.761	S	S	*	*			trans	-153.8	141.3	161	0	0	0	0	0	111.6
368	T	28.8	Very low	30.6	Very low	128 Å²	128	115 Å²	115	79%	0.785	76%	0.761	S	S	*	*			trans	-128.2	133.6	-171.4	50	0	0	0	0	113.5
369	S	32.6	Very low	30.7	Very low	100 Å²	100	115.7 Å²	115.7	70%	0.699	76%	0.761	S	S	*	*			trans	-175.6	120.4	152.7	51.4	0	0	0	0	108.4
370	T	27.6	Very low	30.8	Very low	127 Å²	127	116.9 Å²	116.9	78%	0.779	76%	0.764	S	S	*	*				53.7	131.7	69.9	72.3	0	0	0	0	112.3
371	T	30.3	Very low	30.9	Very low	112 Å²	112	118 Å²	118	69%	0.687	77%	0.765	S	S	*	*			cis	-158	167.1	34.5	50.4	0	0	0	0	112.6
372	T	28	Very low	30.8	Very low	126 Å²	126	115.2 Å²	115.2	77%	0.773	75%	0.752	S	S	*	*			trans	54.2	149	143.2	50.8	0	0	0	0	121.4
373	S	32.7	Very low	31	Very low	110 Å²	110	119.7 Å²	119.7	77%	0.769	76%	0.76	S	S	*	*			cis	-167.4	163.2	-3.8	43.7	0	0	0	0	110.7
374	S	29.2	Very low	31.2	Very low	106 Å²	106	118.5 Å²	118.5	74%	0.741	75%	0.753	S	S	*	*			trans	-80.9	-171.9	163.3	59.6	0	0	0	0	110.8
375	P	36.2	Very low	31.4	Very low	100 Å²	100	119.5 Å²	119.5	65%	0.649	75%	0.753	S	S	*	*			cis	-140.1	-167.4	1.4	40	-18.8	0	0	0	115.7
376	T	28.3	Very low	31.6	Very low	130 Å²	130	121.1 Å²	121.1	80%	0.798	75%	0.751	S	S	*	*			trans	64.7	153.9	154.2	44.1	0	0	0	0	119.7
377	S	30.3	Very low	31.8	Very low	88 Å²	88	121.1 Å²	121.1	62%	0.615	75%	0.751	S	S	*	*			cis	-169.7	169.8	-12.8	51	0	0	0	0	111.2
378	T	29.2	Very low	31.7	Very low	131 Å²	131	124.3 Å²	124.3	80%	0.804	75%	0.752	S	S	*	*			trans	66.9	152.6	150.4	38.1	0	0	0	0	119
379	S	32	Very low	31.7	Very low	91 Å²	91	123.8 Å²	123.8	64%	0.636	75%	0.749	S	S	*	*			cis	-169.6	162.8	-0.4	42.1	0	0	0	0	113.3
380	T	31.2	Very low	31.4	Very low	125 Å²	125	124.4 Å²	124.4	77%	0.767	75%	0.748	S	S	*	*			trans	65.1	155.9	147.5	48.2	0	0	0	0	119.7
381	L	36	Very low	31.6	Very low	162 Å²	162	126.9 Å²	126.9	85%	0.848	75%	0.751	S	S	*	*			cis	-137.7	-174.1	1.8	-80.8	100	0	0	0	109.3
382	A	34.3	Very low	31.6	Very low	72 Å²	72	127.3 Å²	127.3	60%	0.595	75%	0.754	S	S	*	*				178.1	135.5	-56	0	0	0	0	0	111.3
383	N	31.7	Very low	31.7	Very low	160 Å²	160	126.2 Å²	126.2	86%	0.856	75%	0.751	S	S	*	*			trans	66.3	164.5	164.8	-55.2	3.2	0	0	0	116.3
384	V	38.1	Very low	31.5	Very low	128 Å²	128	125.6 Å²	125.6	78%	0.776	75%	0.747	S	S	*	*			cis	-149.1	151.5	32.3	170	0	0	0	0	112.2
385	D	31.2	Very low	31.7	Very low	142 Å²	142	129 Å²	129	76%	0.759	75%	0.751	S	S	*	*			trans	-71.3	160.7	173.4	-60.4	-83.1	0	0	0	115.4
386	H	36.1	Very low	31.5	Very low	182 Å²	182	130.2 Å²	130.2	84%	0.843	76%	0.756	S	S	*	*				-178.6	144.5	117.5	-102.1	-68.6	0	0	0	114.3
387	T	30.8	Very low	31.6	Very low	122 Å²	122	130.3 Å²	130.3	75%	0.748	76%	0.757	S	S	*	*			trans	-86.2	153.1	166.6	50.8	0	0	0	0	112.6
388	I	31.7	Very low	32.3	Very low	168 Å²	168	131.3 Å²	131.3	86%	0.862	76%	0.762	S	S	*	*			trans	-171.5	161.1	141.3	-100.5	152.4	0	0	0	110.4
389	T	27.1	Very low	32.6	Very low	117 Å²	117	131.4 Å²	131.4	72%	0.718	76%	0.762	S	S	*	*			trans	-107	-172.5	-166.1	51.7	0	0	0	0	115
390	T	27.3	Very low	32.7	Very low	113 Å²	113	131.6 Å²	131.6	69%	0.693	76%	0.764	S	S	*	*			trans	83.3	92.2	153.2	36.7	0	0	0	0	121.6
391	E	30.9	Very low	32.9	Very low	179 Å²	179	132.6 Å²	132.6	84%	0.836	76%	0.763	S	S	*	*				66.4	160.6	116.9	-64.8	-166.2	154.5	0	0	125.6
392	V	31.2	Very low	32.7	Very low	122 Å²	122	132.8 Å²	132.8	74%	0.739	76%	0.758	S	S	*	*			trans	81.5	120.8	155.3	-133.4	0	0	0	0	122.6
393	S	29.3	Very low	32.8	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	76%	0.763	S	S	*	*			trans	66.2	153.9	142.2	52.2	0	0	0	0	122.6
394	S	30.2	Very low	32.9	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	76%	0.755	S	S	*	*			cis	-175.5	139.5	-26.4	55.3	0	0	0	0	112.8
395	E	32.7	Very low	32.8	Very low	177 Å²	177	134 Å²	134	83%	0.827	76%	0.758	S	S	*	*			trans	62.8	168.2	142.8	-70.2	-161.7	135.9	0	0	124.4
396	T	32.2	Very low	32.8	Very low	125 Å²	125	135.1 Å²	135.1	77%	0.767	76%	0.758	S	S	*	*			trans	90.2	136.1	163.4	72.4	0	0	0	0	118
397	T	31	Very low	32.7	Very low	132 Å²	132	134.2 Å²	134.2	81%	0.81	76%	0.759	S	S	*	*			cis	-156.6	175.1	-4.2	14.6	0	0	0	0	110.8
398	P	43.9	Very low	32.9	Very low	110 Å²	110	136.6 Å²	136.6	71%	0.714	76%	0.761	S	S	*	*			trans	-126	-171.9	-148.7	46.4	-38.1	0	0	0	117.3
399	T	35	Very low	33.4	Very low	132 Å²	132	134.6 Å²	134.6	81%	0.81	76%	0.757	S	S	*	*			trans	-163.5	115.9	140.8	2	0	0	0	0	115.7
400	S	34.1	Very low	34.7	Very low	96 Å²	96	133.1 Å²	133.1	67%	0.671	74%	0.744	S	S	*	*				46	142.6	128.3	92.9	0	0	0	0	121.8
401	L	35.2	Very low	35.8	Very low	145 Å²	145	136.6 Å²	136.6	76%	0.759	75%	0.752	S	S	*	*			cis	-153.5	146.5	27.1	-86.1	134.9	0	0	0	112.7
402	K	33	Very low	37.1	Very low	167 Å²	167	129.7 Å²	129.7	73%	0.726	72%	0.723	S	S	*	*			trans	44.5	152.2	138.7	-68.9	178.4	158.1	-135	0	121.9
403	E	35.5	Very low	38.1	Very low	154 Å²	154	131.6 Å²	131.6	72%	0.72	72%	0.724	S	S	*	*			cis	-144.8	-171.5	11	-146.2	142.9	-127.2	0	0	112.3
404	V	35.1	Very low	39.1	Very low	111 Å²	111	133.8 Å²	133.8	67%	0.673	73%	0.728	S	S	*	*			trans	-120.4	138.8	-150.9	176.8	0	0	0	0	116.2
405	S	36.3	Very low	40	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	72%	0.719	S	S	*	*			trans	-149.3	147.7	142.6	63.9	0	0	0	0	110.3
406	H	31.3	Very low	41.3	Very low	165 Å²	165	128.6 Å²	128.6	76%	0.764	70%	0.695	S	S	*	*			trans	-99.5	117.7	-163.3	-76.3	-94.7	0	0	0	115
407	L	32.7	Very low	42.5	Very low	163 Å²	163	126.1 Å²	126.1	85%	0.853	68%	0.679	S	S	*	*				-153.3	129.6	126.1	-161.1	69.4	0	0	0	107	T409	L407-T409 PolarHBondContact O-N 2.78Å
408	E	35	Very low	44.5	Very low	172 Å²	172	123.9 Å²	123.9	80%	0.804	66%	0.656	S	S	*	*			trans	-73.4	103	-170.5	-69.3	-176.6	146.1	0	0	111.3	I410	E408-I410 PolarHBondContact O-N 3.31Å; E408-I410 VanDerWaalsContact O-N 3.12Å
409	T	43.1	Very low	45.6	Very low	127 Å²	127	120.8 Å²	120.8	78%	0.779	63%	0.633	S	S	*	*			trans	-73.5	97.9	173.8	39.2	0	0	0	0	110.2	L407 Q411	L407-T409 PolarHBondContact O-N 2.78Å; T409-Q411 PolarHBondContact O-N 2.85Å; T409-Q411 VanDerWaalsContact O-N 3.14Å
410	I	53.7	Low	47	Very low	85 Å²	85	118 Å²	118	44%	0.436	62%	0.619	S	S	.	*			trans	-66.5	111.5	-178.4	-63.6	166.1	0	0	0	109.7	E408 C412 W418	E408-I410 PolarHBondContact O-N 3.31Å; E408-I410 VanDerWaalsContact O-N 3.12Å; I410-C412 PolarHBondContact O-N 2.88Å; I410-W418 HydrophobicContact CB-CD2 4.02Å; I410-W418 HydrophobicContact CB-CE3 4.01Å; I410-W418 HydrophobicContact CB-CG 4.42Å; I410-W418 HydrophobicContact CB-CZ3 4.38Å; I410-W418 HydrophobicContact CD1-CD2 4.1Å; I410-W418 HydrophobicContact CD1-CE3 4.21Å; I410-W418 HydrophobicContact CD1-CH2 3.48Å; I410-W418 VanDerWaalsContact CD1-CH2 3.48Å; I410-W418 HydrophobicContact CD1-CZ2 3.36Å; I410-W418 HydrophobicContact CD1-CZ3 3.92Å; I410-W418 HydrophobicContact CG2-CD2 4Å; I410-W418 HydrophobicContact CG2-CE3 3.46Å; I410-W418 VanDerWaalsContact CG2-CE3 3.46Å; I410-W418 HydrophobicContact CG2-CH2 4.39Å; I410-W418 HydrophobicContact CG2-CZ3 3.67Å
411	Q	50.7	Low	48.5	Very low	187 Å²	187	120.4 Å²	120.4	87%	0.874	63%	0.625	S	S	*	*			trans	-84.1	113.2	178.3	-66.5	-167.8	-76.3	0	0	110.4	T409	T409-Q411 PolarHBondContact O-N 2.85Å; T409-Q411 VanDerWaalsContact O-N 3.14Å
412	C	57.1	Low	49.9	Very low	33 Å²	33	119.5 Å²	119.5	22%	0.223	62%	0.617	C	S	.	*	P	Polyproline II helix	trans	-81.7	156.3	167.4	-56.2	0	0	0	0	110.9	I410 F416 W418 C425	I410-C412 PolarHBondContact O-N 2.88Å; C412-F416 HydrophobicContact CB-CB 3.62Å; C412-W418 PolarHBondContact SG-N 3.32Å; C412-W418 VanDerWaalsContact SG-N 3.39Å; C412-C425 WeakPolarHBondContact CA-SG 3.45Å; C412-C425 HydrophobicContact CB-CB 3.69Å; C412-C425 WeakPolarHBondContact CB-SG 3.38Å; C412-C425 VanDerWaalsContact SG-CA 3.56Å; C412-C425 WeakPolarHBondContact SG-CB 3.35Å; C412-C425 CovalentContact SG-SG 2.03Å; C412-C425 PolarHBondContact SG-SG 3.29Å
413	Q	54	Low	51.8	Low	162 Å²	162	118 Å²	118	76%	0.757	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-67.3	165.9	174	-67.3	-174.8	-74.1	0	0	111.9	N415 F416	Q413-N415 PolarHBondContact O-N 2.99Å; Q413-F416 HydrophobicContact CB-CD2 4.35Å; Q413-F416 WeakPolarHBondContact O-CB 3.3Å; Q413-F416 PolarHBondContact O-N 3.21Å
414	D	49.2	Very low	53.2	Low	150 Å²	150	114.6 Å²	114.6	80%	0.802	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	133.4	178.7	-67.3	-53.4	0	0	0	112.4
415	N	48.5	Very low	54.2	Low	90 Å²	90	111.5 Å²	111.5	48%	0.481	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	68.3	24.7	-169.6	-46.1	-76.8	0	0	0	115.5	Q413 L428	Q413-N415 PolarHBondContact O-N 2.99Å; N415-L428 PolarHBondContact O-N 3.33Å
416	F	60.2	Low	55.1	Low	75 Å²	75	108.8 Å²	108.8	33%	0.329	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.5	149.9	168.2	-66.7	-108.6	0	0	0	111.4	C412 Q413 C425 V426 R427	C412-F416 HydrophobicContact CB-CB 3.62Å; Q413-F416 HydrophobicContact CB-CD2 4.35Å; Q413-F416 WeakPolarHBondContact O-CB 3.3Å; Q413-F416 PolarHBondContact O-N 3.21Å; F416-C425 HydrophobicContact CB-CB 4.28Å; F416-C425 HydrophobicContact CD1-CB 4.41Å; F416-C425 WeakPolarHBondContact CD1-O 3.31Å; F416-V426 CarbonylContact C-O 3.54Å; F416-V426 VanDerWaalsContact CA-O 3.25Å; F416-V426 WeakPolarHBondContact CA-O 3.34Å; F416-R427 VanDerWaalsContact CD1-CA 3.47Å; F416-R427 HydrophobicContact CD1-CB 3.83Å; F416-R427 HydrophobicContact CD1-CG 4.34Å; F416-R427 HydrophobicContact CE1-CB 3.59Å; F416-R427 HydrophobicContact CE1-CG 3.98Å; F416-R427 HydrophobicContact CE2-CG 4.16Å; F416-R427 HydrophobicContact CG-CB 4.45Å; F416-R427 HydrophobicContact CZ-CB 4.02Å; F416-R427 HydrophobicContact CZ-CG 3.88Å
417	V	57.8	Low	56.1	Low	73 Å²	73	109.6 Å²	109.6	44%	0.442	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.1	141.5	177.2	163.2	0	0	0	0	109.4	D419 C425 V426 L428	V417-D419 PolarHBondContact O-N 2.96Å; V417-C425 CarbonylContact O-C 3.58Å; V417-C425 WeakPolarHBondContact O-CA 3.44Å; V417-V426 PolarHBondContact N-O 2.84Å; V417-V426 PolarHBondContact O-N 3.28Å; V417-L428 HydrophobicContact CB-CD2 4.39Å; V417-L428 HydrophobicContact CG2-CD1 3.88Å; V417-L428 HydrophobicContact CG2-CD2 3.84Å; V417-L428 HydrophobicContact CG2-CG 3.86Å
418	W	73.2	Confident	56.9	Low	84 Å²	84	104.8 Å²	104.8	32%	0.318	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.1	176.4	179.4	-104.5	0	0	0	111.2	I410 C412 Q423 L424	I410-W418 HydrophobicContact CB-CD2 4.02Å; I410-W418 HydrophobicContact CB-CE3 4.01Å; I410-W418 HydrophobicContact CB-CG 4.42Å; I410-W418 HydrophobicContact CB-CZ3 4.38Å; I410-W418 HydrophobicContact CD1-CD2 4.1Å; I410-W418 HydrophobicContact CD1-CE3 4.21Å; I410-W418 HydrophobicContact CD1-CH2 3.48Å; I410-W418 VanDerWaalsContact CD1-CH2 3.48Å; I410-W418 HydrophobicContact CD1-CZ2 3.36Å; I410-W418 HydrophobicContact CD1-CZ3 3.92Å; I410-W418 HydrophobicContact CG2-CD2 4Å; I410-W418 HydrophobicContact CG2-CE3 3.46Å; I410-W418 VanDerWaalsContact CG2-CE3 3.46Å; I410-W418 HydrophobicContact CG2-CH2 4.39Å; I410-W418 HydrophobicContact CG2-CZ3 3.67Å; C412-W418 PolarHBondContact SG-N 3.32Å; C412-W418 VanDerWaalsContact SG-N 3.39Å; W418-Q423 HydrophobicContact CH2-CB 4.29Å; W418-Q423 WeakPolarHBondContact CH2-O 3.44Å; W418-Q423 HydrophobicContact CZ2-CB 4.34Å; W418-L424 VanDerWaalsContact CZ3-CA 3.47Å
419	D	66.8	Low	57.5	Low	45 Å²	45	102.6 Å²	102.6	24%	0.241	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.7	170.3	-176.7	-35.9	0	0	0	109.3	V417 D421 Q422 Q423 L424 V426	V417-D419 PolarHBondContact O-N 2.96Å; D419-D421 VanDerWaalsContact C-N 3.28Å; D419-D421 PolarHBondContact O-N 2.86Å; D419-D421 WeakPolarHBondContact OD1-CA 3.46Å; D419-D421 WeakPolarHBondContact OD1-CB 3.23Å; D419-D421 PolarHBondContact OD1-N 2.83Å; D419-Q422 HydrophobicContact CB-CB 4.36Å; D419-Q422 PolarHBondContact OD1-N 2.94Å; D419-Q423 WeakPolarHBondContact O-CA 3.38Å; D419-Q423 PolarHBondContact O-N 2.04Å; D419-L424 PolarHBondContact N-O 2.84Å; D419-L424 PolarHBondContact O-N 3.38Å; D419-V426 HydrophobicContact CB-CG2 3.38Å
420	S	64.5	Low	57.8	Low	74 Å²	74	104.8 Å²	104.8	52%	0.517	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.2	-179.8	45.5	0	0	0	0	113.4	Q423	S420-Q423 PolarHBondContact O-NE2 2.79Å
421	D	66.3	Low	57.8	Low	147 Å²	147	104.9 Å²	104.9	79%	0.786	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-30.4	-166.1	-55	-0.1	0	0	0	109.6	D419	D419-D421 VanDerWaalsContact C-N 3.28Å; D419-D421 PolarHBondContact O-N 2.86Å; D419-D421 WeakPolarHBondContact OD1-CA 3.46Å; D419-D421 WeakPolarHBondContact OD1-CB 3.23Å; D419-D421 PolarHBondContact OD1-N 2.83Å
422	Q	63.6	Low	58	Low	126 Å²	126	97.5 Å²	97.5	59%	0.589	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-10.5	171.3	-58	-160.7	9.8	0	0	114.5	D419 L424	D419-Q422 HydrophobicContact CB-CB 4.36Å; D419-Q422 PolarHBondContact OD1-N 2.94Å; Q422-L424 VanDerWaalsContact C-N 3.32Å; Q422-L424 HydrophobicContact CB-CD1 4.12Å; Q422-L424 HydrophobicContact CB-CD2 4.3Å; Q422-L424 HydrophobicContact CB-CG 3.86Å; Q422-L424 WeakPolarHBondContact O-CD2 3.03Å; Q422-L424 WeakPolarHBondContact O-CG 3.06Å; Q422-L424 PolarHBondContact O-N 3.16Å
423	Q	73.7	Confident	57.8	Low	136 Å²	136	98.7 Å²	98.7	64%	0.636	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	38.4	-177.4	-62.7	-78.2	-67.8	0	0	113.6	W418 D419 S420	W418-Q423 HydrophobicContact CH2-CB 4.29Å; W418-Q423 WeakPolarHBondContact CH2-O 3.44Å; W418-Q423 HydrophobicContact CZ2-CB 4.34Å; D419-Q423 WeakPolarHBondContact O-CA 3.38Å; D419-Q423 PolarHBondContact O-N 2.04Å; S420-Q423 PolarHBondContact O-NE2 2.79Å
424	L	64	Low	57.9	Low	81 Å²	81	98.7 Å²	98.7	42%	0.424	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	156.5	-178.9	48	92.2	0	0	0	113.8	W418 D419 Q422 V426	W418-L424 VanDerWaalsContact CZ3-CA 3.47Å; D419-L424 PolarHBondContact N-O 2.84Å; D419-L424 PolarHBondContact O-N 3.38Å; Q422-L424 VanDerWaalsContact C-N 3.32Å; Q422-L424 HydrophobicContact CB-CD1 4.12Å; Q422-L424 HydrophobicContact CB-CD2 4.3Å; Q422-L424 HydrophobicContact CB-CG 3.86Å; Q422-L424 WeakPolarHBondContact O-CD2 3.03Å; Q422-L424 WeakPolarHBondContact O-CG 3.06Å; Q422-L424 PolarHBondContact O-N 3.16Å; L424-V426 HydrophobicContact CD1-CG2 4.32Å; L424-V426 PolarHBondContact O-N 3.43Å
425	C	56.9	Low	58.2	Low	47 Å²	47	94.2 Å²	94.2	32%	0.318	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	106	175.3	-72.4	0	0	0	0	110.2	C412 F416 V417	C412-C425 WeakPolarHBondContact CA-SG 3.45Å; C412-C425 HydrophobicContact CB-CB 3.69Å; C412-C425 WeakPolarHBondContact CB-SG 3.38Å; C412-C425 VanDerWaalsContact SG-CA 3.56Å; C412-C425 WeakPolarHBondContact SG-CB 3.35Å; C412-C425 CovalentContact SG-SG 2.03Å; C412-C425 PolarHBondContact SG-SG 3.29Å; F416-C425 HydrophobicContact CB-CB 4.28Å; F416-C425 HydrophobicContact CD1-CB 4.41Å; F416-C425 WeakPolarHBondContact CD1-O 3.31Å; V417-C425 CarbonylContact O-C 3.58Å; V417-C425 WeakPolarHBondContact O-CA 3.44Å
426	V	53.9	Low	58.7	Low	63 Å²	63	91.8 Å²	91.8	38%	0.382	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.6	176.8	-144.5	0	0	0	0	109.6	F416 V417 D419 L424 L428	F416-V426 CarbonylContact C-O 3.54Å; F416-V426 VanDerWaalsContact CA-O 3.25Å; F416-V426 WeakPolarHBondContact CA-O 3.34Å; V417-V426 PolarHBondContact N-O 2.84Å; V417-V426 PolarHBondContact O-N 3.28Å; D419-V426 HydrophobicContact CB-CG2 3.38Å; L424-V426 HydrophobicContact CD1-CG2 4.32Å; L424-V426 PolarHBondContact O-N 3.43Å; V426-L428 PolarHBondContact O-N 2.77Å
427	R	52.5	Low	58.6	Low	181 Å²	181	93.2 Å²	93.2	68%	0.683	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	129.7	176.1	-164.7	173.9	-179.9	176.6	-0.9	109.6	F416 V429	F416-R427 VanDerWaalsContact CD1-CA 3.47Å; F416-R427 HydrophobicContact CD1-CB 3.83Å; F416-R427 HydrophobicContact CD1-CG 4.34Å; F416-R427 HydrophobicContact CE1-CB 3.59Å; F416-R427 HydrophobicContact CE1-CG 3.98Å; F416-R427 HydrophobicContact CE2-CG 4.16Å; F416-R427 HydrophobicContact CG-CB 4.45Å; F416-R427 HydrophobicContact CZ-CB 4.02Å; F416-R427 HydrophobicContact CZ-CG 3.88Å; R427-V429 PolarHBondContact O-N 2.94Å
428	L	50.2	Low	58.7	Low	63 Å²	63	93.6 Å²	93.6	33%	0.33	50%	0.501	S	S	.	.			trans	-64.6	105	166.9	-74.6	173.5	0	0	0	108.1	N415 V417 V426 F430	N415-L428 PolarHBondContact O-N 3.33Å; V417-L428 HydrophobicContact CB-CD2 4.39Å; V417-L428 HydrophobicContact CG2-CD1 3.88Å; V417-L428 HydrophobicContact CG2-CD2 3.84Å; V417-L428 HydrophobicContact CG2-CG 3.86Å; V426-L428 PolarHBondContact O-N 2.77Å; L428-F430 PolarHBondContact O-N 2.03Å
429	V	48.2	Very low	58.3	Low	126 Å²	126	91.7 Å²	91.7	76%	0.764	50%	0.497	S	S	*	.	S	Bend	trans	-65.1	-20.8	176.1	-178.2	0	0	0	0	111.3	R427	R427-V429 PolarHBondContact O-N 2.94Å
430	F	48.9	Very low	57.8	Low	173 Å²	173	99 Å²	99	76%	0.759	53%	0.527	S	S	*	.			trans	-116.6	100.9	177.7	-61.5	-83	0	0	0	111	L428	L428-F430 PolarHBondContact O-N 2.03Å
431	S	54.2	Low	57.8	Low	86 Å²	86	104.3 Å²	104.3	60%	0.601	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-62.1	137.2	151	-54.4	0	0	0	0	108.2
432	C	53.7	Low	57.9	Low	33 Å²	33	100.8 Å²	100.8	22%	0.223	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-64.5	141.6	170.7	-73	0	0	0	0	110.1	M436 L438 C445	C432-M436 HydrophobicContact CB-CB 4.23Å; C432-M436 WeakPolarHBondContact CB-O 3.24Å; C432-L438 PolarHBondContact SG-N 2.95Å; C432-C445 WeakPolarHBondContact CA-SG 3.49Å; C432-C445 HydrophobicContact CB-CB 3.84Å; C432-C445 WeakPolarHBondContact CB-SG 3.02Å; C432-C445 WeakPolarHBondContact SG-CB 3.47Å; C432-C445 CovalentContact SG-SG 2.04Å; C432-C445 PolarHBondContact SG-SG 3.47Å
433	P	53.1	Low	57.9	Low	58 Å²	58	105.5 Å²	105.5	38%	0.377	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-54.9	153.3	174.7	-26.7	35.3	0	0	0	112.6	G435 M436	P433-G435 PolarHBondContact O-N 2.91Å; P433-G435 VanDerWaalsContact O-N 3.16Å; P433-M436 HydrophobicContact CB-SD 4.39Å; P433-M436 HydrophobicContact CG-SD 4.2Å; P433-M436 PolarHBondContact O-N 3.33Å
434	V	55.7	Low	56.9	Low	161 Å²	161	106.1 Å²	106.1	98%	0.976	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	120.8	-178.8	-179.7	0	0	0	0	110
435	G	55.4	Low	56.7	Low	56 Å²	56	104.2 Å²	104.2	58%	0.577	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	-13.8	-175.3	0	0	0	0	0	114.7	P433	P433-G435 PolarHBondContact O-N 2.91Å; P433-G435 VanDerWaalsContact O-N 3.16Å
436	M	60.4	Low	56.9	Low	40 Å²	40	104.1 Å²	104.1	20%	0.197	53%	0.532	C	S	.	.			trans	-107	156.7	173	-49.5	-173.4	89.2	0	0	111.8	C432 P433 C445 V446 L447	C432-M436 HydrophobicContact CB-CB 4.23Å; C432-M436 WeakPolarHBondContact CB-O 3.24Å; P433-M436 HydrophobicContact CB-SD 4.39Å; P433-M436 HydrophobicContact CG-SD 4.2Å; P433-M436 PolarHBondContact O-N 3.33Å; M436-C445 HydrophobicContact CB-CB 3.92Å; M436-C445 HydrophobicContact CE-CB 4.14Å; M436-C445 HydrophobicContact SD-CB 4.04Å; M436-V446 WeakPolarHBondContact CA-O 3.42Å; M436-L447 HydrophobicContact CE-CG 4.33Å; M436-L447 HydrophobicContact CG-CD2 4.31Å; M436-L447 HydrophobicContact CG-CG 4.34Å
437	Y	57.6	Low	56.9	Low	105 Å²	105	104.5 Å²	104.5	41%	0.412	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.8	176	49.6	-90	0	0	0	111.9	N439 C445 V446 L447 E448	Y437-N439 PolarHBondContact O-N 2.82Å; Y437-C445 CarbonylContact O-C 3.59Å; Y437-C445 WeakPolarHBondContact O-CA 3.05Å; Y437-V446 HydrophobicContact CD2-CG2 4.02Å; Y437-V446 HydrophobicContact CE2-CG2 3.58Å; Y437-V446 PolarHBondContact N-O 3Å; Y437-V446 PolarHBondContact O-N 3.23Å; Y437-L447 VanDerWaalsContact OH-C 3.27Å; Y437-L447 PolarHBondContact OH-O 3.47Å; Y437-E448 HydrophobicContact CE1-CB 3.78Å; Y437-E448 WeakPolarHBondContact OH-CA 3.44Å; Y437-E448 WeakPolarHBondContact OH-CB 3.48Å; Y437-E448 PolarHBondContact OH-N 2.79Å
438	L	58.7	Low	56.7	Low	80 Å²	80	101.3 Å²	101.3	42%	0.419	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	110.9	-172.4	-173.2	64.9	0	0	0	111.2	C432 K440	C432-L438 PolarHBondContact SG-N 2.95Å; L438-K440 PolarHBondContact O-N 3.43Å
439	N	65.3	Low	56.5	Low	44 Å²	44	104 Å²	104	24%	0.235	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.9	168.9	177.9	-41.2	0	0	0	109.1	Y437 E441 T442 R443 K444 V446	Y437-N439 PolarHBondContact O-N 2.82Å; N439-E441 VanDerWaalsContact C-N 3.3Å; N439-E441 PolarHBondContact O-N 3.31Å; N439-E441 PolarHBondContact OD1-N 3.16Å; N439-T442 WeakPolarHBondContact CB-OG1 3.44Å; N439-T442 PolarHBondContact OD1-N 2.74Å; N439-T442 PolarHBondContact OD1-OG1 3.49Å; N439-R443 WeakPolarHBondContact O-CA 3.36Å; N439-R443 PolarHBondContact O-N 3.41Å; N439-K444 WeakPolarHBondContact CB-O 3.3Å; N439-K444 PolarHBondContact N-O 3.49Å; N439-V446 HydrophobicContact CB-CG1 4.08Å; N439-V446 HydrophobicContact CB-CG2 3.94Å
440	K	56.3	Low	56.3	Low	200 Å²	200	105 Å²	105	87%	0.87	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-22.5	-173.9	-65.2	-176.3	177.8	-177.5	0	114.1	L438	L438-K440 PolarHBondContact O-N 3.43Å
441	E	64.9	Low	56.1	Low	184 Å²	184	104.3 Å²	104.3	86%	0.86	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-41.5	178.8	-60.5	178.1	131.6	0	0	111.4	N439	N439-E441 VanDerWaalsContact C-N 3.3Å; N439-E441 PolarHBondContact O-N 3.31Å; N439-E441 PolarHBondContact OD1-N 3.16Å
442	T	68	Low	55.9	Low	74 Å²	74	108.8 Å²	108.8	45%	0.454	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.1	-8.3	-175.2	64.3	0	0	0	0	114.6	N439 K444	N439-T442 WeakPolarHBondContact CB-OG1 3.44Å; N439-T442 PolarHBondContact OD1-N 2.74Å; N439-T442 PolarHBondContact OD1-OG1 3.49Å; T442-K444 PolarHBondContact O-N 2.85Å
443	R	63.8	Low	56	Low	225 Å²	225	112.7 Å²	112.7	85%	0.849	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.6	28.1	-172.8	-60.6	-176.6	175.5	-174.3	-2.4	113.8	N439	N439-R443 WeakPolarHBondContact O-CA 3.36Å; N439-R443 PolarHBondContact O-N 3.41Å
444	K	53.3	Low	56.6	Low	148 Å²	148	117 Å²	117	64%	0.643	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.5	148.7	177.9	-69.4	-178.4	178.8	-174	0	111.3	N439 T442	N439-K444 WeakPolarHBondContact CB-O 3.3Å; N439-K444 PolarHBondContact N-O 3.49Å; T442-K444 PolarHBondContact O-N 2.85Å
445	C	59.3	Low	57.1	Low	42 Å²	42	110.6 Å²	110.6	28%	0.284	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71	136.2	168.2	-57.4	0	0	0	0	109.8	C432 M436 Y437	C432-C445 WeakPolarHBondContact CA-SG 3.49Å; C432-C445 HydrophobicContact CB-CB 3.84Å; C432-C445 WeakPolarHBondContact CB-SG 3.02Å; C432-C445 WeakPolarHBondContact SG-CB 3.47Å; C432-C445 CovalentContact SG-SG 2.04Å; C432-C445 PolarHBondContact SG-SG 3.47Å; M436-C445 HydrophobicContact CB-CB 3.92Å; M436-C445 HydrophobicContact CE-CB 4.14Å; M436-C445 HydrophobicContact SD-CB 4.04Å; Y437-C445 CarbonylContact O-C 3.59Å; Y437-C445 WeakPolarHBondContact O-CA 3.05Å
446	V	60.6	Low	57.8	Low	45 Å²	45	110.3 Å²	110.3	27%	0.273	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137	163.8	179.7	-59.6	0	0	0	0	111.3	M436 Y437 N439	M436-V446 WeakPolarHBondContact CA-O 3.42Å; Y437-V446 HydrophobicContact CD2-CG2 4.02Å; Y437-V446 HydrophobicContact CE2-CG2 3.58Å; Y437-V446 PolarHBondContact N-O 3Å; Y437-V446 PolarHBondContact O-N 3.23Å; N439-V446 HydrophobicContact CB-CG1 4.08Å; N439-V446 HydrophobicContact CB-CG2 3.94Å
447	L	54.4	Low	58.6	Low	70 Å²	70	116.6 Å²	116.6	37%	0.366	59%	0.585	S	S	.	*			trans	-103.1	150.8	-178.8	-76.4	154.6	0	0	0	111.6	M436 Y437 S449 P456	M436-L447 HydrophobicContact CE-CG 4.33Å; M436-L447 HydrophobicContact CG-CD2 4.31Å; M436-L447 HydrophobicContact CG-CG 4.34Å; Y437-L447 VanDerWaalsContact OH-C 3.27Å; Y437-L447 PolarHBondContact OH-O 3.47Å; L447-S449 PolarHBondContact O-N 2.94Å; L447-P456 HydrophobicContact CD1-CG 4.01Å; L447-P456 HydrophobicContact CD2-CG 3.84Å
448	E	49.7	Very low	59.3	Low	115 Å²	115	112 Å²	112	54%	0.537	57%	0.57	S	S	.	*			trans	-90.3	103.7	173.5	-155.9	172.8	-172.4	0	0	110.4	Y437 K450	Y437-E448 HydrophobicContact CE1-CB 3.78Å; Y437-E448 WeakPolarHBondContact OH-CA 3.44Å; Y437-E448 WeakPolarHBondContact OH-CB 3.48Å; Y437-E448 PolarHBondContact OH-N 2.79Å; E448-K450 VanDerWaalsContact C-N 3.31Å; E448-K450 HydrophobicContact CG-CD 4.21Å; E448-K450 HydrophobicContact CG-CG 4.36Å; E448-K450 PolarHBondContact O-N 2.04Å; E448-K450 VanDerWaalsContact OE1-CE 3.23Å; E448-K450 WeakPolarHBondContact OE1-CE 3.47Å; E448-K450 IonicContact OE1-NZ 3.63Å; E448-K450 PolarHBondContact OE1-NZ 3.09Å; E448-K450 IonicContact OE2-NZ 3.94Å
449	S	44.2	Very low	60.5	Low	119 Å²	119	109.9 Å²	109.9	83%	0.832	56%	0.557	S	S	*	*			trans	-72.6	82.4	178.9	58	0	0	0	0	111.5	L447	L447-S449 PolarHBondContact O-N 2.94Å
450	K	45.6	Very low	61.3	Low	148 Å²	148	111.7 Å²	111.7	64%	0.643	56%	0.562	S	S	*	*			trans	-122.8	19.7	176.6	-86.5	179.4	179.6	156.7	0	114.7	E448	E448-K450 VanDerWaalsContact C-N 3.31Å; E448-K450 HydrophobicContact CG-CD 4.21Å; E448-K450 HydrophobicContact CG-CG 4.36Å; E448-K450 PolarHBondContact O-N 2.04Å; E448-K450 VanDerWaalsContact OE1-CE 3.23Å; E448-K450 WeakPolarHBondContact OE1-CE 3.47Å; E448-K450 IonicContact OE1-NZ 3.63Å; E448-K450 PolarHBondContact OE1-NZ 3.09Å; E448-K450 IonicContact OE2-NZ 3.94Å
451	D	44.6	Very low	62.4	Low	157 Å²	157	107.5 Å²	107.5	84%	0.84	55%	0.549	S	S	*	.			trans	-159.5	163.5	143.2	-103.5	-40	0	0	0	110.3
452	K	49.7	Very low	62.9	Low	180 Å²	180	99.7 Å²	99.7	78%	0.783	51%	0.514	S	S	*	.	S	Bend	trans	-124.5	37.7	-157.7	-149.5	-160.4	176.8	-156.2	0	115.7	D466	K452-D466 IonicContact NZ-OD2 3Å
453	S	55.9	Low	62.8	Low	116 Å²	116	102.2 Å²	102.2	81%	0.811	54%	0.535	S	S	*	.	S	Bend	trans	-151.6	7	-176.8	62.6	0	0	0	0	117
454	D	64.5	Low	63.1	Low	148 Å²	148	97.1 Å²	97.1	79%	0.791	53%	0.529	S	S	*	.			trans	-147.6	149.4	179.5	-151.5	-7.6	0	0	0	110.4
455	C	66.5	Low	63.7	Low	26 Å²	26	97.9 Å²	97.9	18%	0.176	53%	0.528	C	S	.	.			trans	-105	150.4	179.1	-74.4	0	0	0	0	111.2	Y459 C468	C455-Y459 WeakPolarHBondContact CB-O 3.49Å; C455-C468 VanDerWaalsContact CA-SG 3.5Å; C455-C468 HydrophobicContact CB-CB 3.96Å; C455-C468 WeakPolarHBondContact CB-SG 3.35Å; C455-C468 WeakPolarHBondContact SG-CB 3.35Å; C455-C468 CovalentContact SG-SG 2.05Å; C455-C468 PolarHBondContact SG-SG 2.85Å
456	P	71.6	Confident	64.2	Low	50 Å²	50	101.7 Å²	101.7	33%	0.325	55%	0.546	S	S	.	.			trans	-59.2	152.8	173.2	-21	32.5	0	0	0	112	L447 G458 Y459	L447-P456 HydrophobicContact CD1-CG 4.01Å; L447-P456 HydrophobicContact CD2-CG 3.84Å; P456-G458 PolarHBondContact O-N 3.19Å; P456-Y459 HydrophobicContact CB-CD2 4.01Å; P456-Y459 HydrophobicContact CG-CD2 4.48Å; P456-Y459 WeakPolarHBondContact O-CB 3.42Å; P456-Y459 PolarHBondContact O-N 2.74Å
457	I	75.9	Confident	65.1	Low	172 Å²	172	104 Å²	104	88%	0.882	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	132.9	171.5	-58.4	173.3	0	0	0	108.8
458	G	73.4	Confident	66.2	Low	9 Å²	9	103 Å²	103	9%	0.093	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	91.2	-3.4	-171	0	0	0	0	0	114.8	P456 I471	P456-G458 PolarHBondContact O-N 3.19Å; G458-I471 WeakPolarHBondContact O-CB 3.16Å; G458-I471 PolarHBondContact O-N 3.22Å
459	Y	83.6	Confident	67.9	Low	36 Å²	36	99.8 Å²	99.8	14%	0.141	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.2	179.6	-63.4	-101.7	0	0	0	112	C455 P456 V469 D470 P496 G497	C455-Y459 WeakPolarHBondContact CB-O 3.49Å; P456-Y459 HydrophobicContact CB-CD2 4.01Å; P456-Y459 HydrophobicContact CG-CD2 4.48Å; P456-Y459 WeakPolarHBondContact O-CB 3.42Å; P456-Y459 PolarHBondContact O-N 2.74Å; Y459-V469 CarbonylContact C-O 3.6Å; Y459-V469 WeakPolarHBondContact CA-O 3.44Å; Y459-D470 HydrophobicContact CE1-CB 4.44Å; Y459-P496 VanDerWaalsContact OH-C 3.24Å; Y459-P496 PolarHBondContact OH-O 2.03Å; Y459-G497 VanDerWaalsContact CE2-CA 3.47Å; Y459-G497 PolarHBondContact OH-N 3.3Å
460	K	82	Confident	69.8	Low	81 Å²	81	96.7 Å²	96.7	35%	0.352	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.6	174.6	63.7	179.3	174.7	-178.8	0	111.4	S462 C468 V469 I471 E476	K460-S462 PolarHBondContact O-N 2.04Å; K460-C468 CarbonylContact O-C 3.53Å; K460-C468 WeakPolarHBondContact O-CA 3.47Å; K460-V469 HydrophobicContact CG-CG2 3.85Å; K460-V469 PolarHBondContact N-O 2.99Å; K460-V469 WeakPolarHBondContact O-CG2 3.46Å; K460-V469 PolarHBondContact O-N 2.82Å; K460-I471 HydrophobicContact CB-CD1 4.21Å; K460-I471 HydrophobicContact CB-CG1 3.86Å; K460-I471 HydrophobicContact CD-CG1 4.26Å; K460-I471 HydrophobicContact CG-CG1 3.93Å; K460-E476 IonicContact NZ-OE1 3.99Å; K460-E476 PolarHBondContact NZ-OE1 2.03Å; K460-E476 IonicContact NZ-OE2 2.77Å; K460-E476 PolarHBondContact NZ-OE2 3.17Å
461	L	79.2	Confident	71.6	Confident	112 Å²	112	91.5 Å²	91.5	59%	0.586	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	122.7	178.4	-164.6	70.8	0	0	0	110.7	S463	L461-S463 PolarHBondContact O-N 2.82Å
462	S	74.6	Confident	73.5	Confident	20 Å²	20	86.1 Å²	86.1	14%	0.14	46%	0.464	C	S	.	.			trans	-72	114.3	179.1	179.1	0	0	0	0	111.3	K460 T464 R465 D466 E467	K460-S462 PolarHBondContact O-N 2.04Å; S462-T464 PolarHBondContact O-N 2.88Å; S462-T464 PolarHBondContact OG-OG1 3.48Å; S462-R465 PolarHBondContact O-N 3.45Å; S462-R465 VanDerWaalsContact O-N 3.15Å; S462-D466 PolarHBondContact O-N 3.12Å; S462-E467 WeakPolarHBondContact CB-O 3.34Å; S462-E467 PolarHBondContact N-O 3Å
463	S	66.8	Low	75.3	Confident	128 Å²	128	78.5 Å²	78.5	90%	0.895	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-3.3	176.9	55.9	0	0	0	0	115.3	L461	L461-S463 PolarHBondContact O-N 2.82Å
464	T	69.6	Low	76.6	Confident	117 Å²	117	75 Å²	75	72%	0.718	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-5.5	-179.6	55.9	0	0	0	0	114.3	S462	S462-T464 PolarHBondContact O-N 2.88Å; S462-T464 PolarHBondContact OG-OG1 3.48Å
465	R	66.1	Low	77.5	Confident	165 Å²	165	74.6 Å²	74.6	62%	0.623	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.3	-9	-169.6	-62.8	-169.3	-174.6	174.6	1.7	117.7	S462 E467	S462-R465 PolarHBondContact O-N 3.45Å; S462-R465 VanDerWaalsContact O-N 3.15Å; R465-E467 HydrophobicContact CB-CB 4Å; R465-E467 HydrophobicContact CB-CG 3.84Å; R465-E467 WeakPolarHBondContact CD-OE2 3.37Å; R465-E467 IonicContact NH1-OE2 2.74Å; R465-E467 PolarHBondContact O-N 3.2Å; R465-E467 VanDerWaalsContact O-N 3.17Å
466	D	70.9	Confident	78.1	Confident	122 Å²	122	78.4 Å²	78.4	65%	0.652	42%	0.418	S	S	*	.	S	Bend	trans	60.1	18.2	-170.6	-108.4	26.8	0	0	0	112.7	K452 S462	K452-D466 IonicContact NZ-OD2 3Å; S462-D466 PolarHBondContact O-N 3.12Å
467	E	78.6	Confident	78.1	Confident	94 Å²	94	77.1 Å²	77.1	44%	0.439	41%	0.414	S	S	.	.			trans	-102.7	136.1	180	-71.8	164.9	-163.1	0	0	110.1	S462 R465 V469	S462-E467 WeakPolarHBondContact CB-O 3.34Å; S462-E467 PolarHBondContact N-O 3Å; R465-E467 HydrophobicContact CB-CB 4Å; R465-E467 HydrophobicContact CB-CG 3.84Å; R465-E467 WeakPolarHBondContact CD-OE2 3.37Å; R465-E467 IonicContact NH1-OE2 2.74Å; R465-E467 PolarHBondContact O-N 3.2Å; R465-E467 VanDerWaalsContact O-N 3.17Å; E467-V469 PolarHBondContact O-N 3.25Å
468	C	78.4	Confident	78	Confident	48 Å²	48	71.3 Å²	71.3	32%	0.324	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	113.3	164.3	-66.1	0	0	0	0	108.9	C455 K460	C455-C468 VanDerWaalsContact CA-SG 3.5Å; C455-C468 HydrophobicContact CB-CB 3.96Å; C455-C468 WeakPolarHBondContact CB-SG 3.35Å; C455-C468 WeakPolarHBondContact SG-CB 3.35Å; C455-C468 CovalentContact SG-SG 2.05Å; C455-C468 PolarHBondContact SG-SG 2.85Å; K460-C468 CarbonylContact O-C 3.53Å; K460-C468 WeakPolarHBondContact O-CA 3.47Å
469	V	84	Confident	77.6	Confident	48 Å²	48	77.3 Å²	77.3	29%	0.291	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	147.7	176.4	-68.7	0	0	0	0	110.5	Y459 K460 E467	Y459-V469 CarbonylContact C-O 3.6Å; Y459-V469 WeakPolarHBondContact CA-O 3.44Å; K460-V469 HydrophobicContact CG-CG2 3.85Å; K460-V469 PolarHBondContact N-O 2.99Å; K460-V469 WeakPolarHBondContact O-CG2 3.46Å; K460-V469 PolarHBondContact O-N 2.82Å; E467-V469 PolarHBondContact O-N 3.25Å
470	D	84.1	Confident	76.5	Confident	53 Å²	53	80.1 Å²	80.1	28%	0.283	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	133.1	176	-164.7	47	0	0	0	111.4	Y459 N494 P496 G497	Y459-D470 HydrophobicContact CE1-CB 4.44Å; D470-N494 PolarHBondContact OD2-ND2 3.28Å; D470-P496 WeakPolarHBondContact OD1-CA 3.35Å; D470-G497 PolarHBondContact OD1-N 2.68Å
471	I	84.4	Confident	75.5	Confident	39 Å²	39	80.1 Å²	80.1	20%	0.2	47%	0.473	C	S	.	.			trans	-84.2	115.5	169.6	-61.1	171.5	0	0	0	106.6	G458 K460 E473 E476	G458-I471 WeakPolarHBondContact O-CB 3.16Å; G458-I471 PolarHBondContact O-N 3.22Å; K460-I471 HydrophobicContact CB-CD1 4.21Å; K460-I471 HydrophobicContact CB-CG1 3.86Å; K460-I471 HydrophobicContact CD-CG1 4.26Å; K460-I471 HydrophobicContact CG-CG1 3.93Å; I471-E473 HydrophobicContact CG2-CG 4.14Å; I471-E473 PolarHBondContact O-N 2.75Å; I471-E476 HydrophobicContact CG2-CB 4.48Å
472	N	84.8	Confident	74.9	Confident	45 Å²	45	78.1 Å²	78.1	24%	0.241	46%	0.462	C	S	.	.			trans	-78.6	86.3	176	-170.9	-44	0	0	0	109.9	C474 I475 E476 N494	N472-C474 PolarHBondContact O-N 3.49Å; N472-C474 VanDerWaalsContact O-N 3.16Å; N472-C474 WeakPolarHBondContact OD1-CB 3.4Å; N472-C474 PolarHBondContact OD1-N 3.42Å; N472-I475 HydrophobicContact CB-CB 4.41Å; N472-I475 PolarHBondContact O-N 2.77Å; N472-I475 WeakPolarHBondContact OD1-CG1 3.36Å; N472-I475 PolarHBondContact OD1-N 3.42Å; N472-E476 PolarHBondContact O-N 3.12Å; N472-N494 WeakPolarHBondContact CA-OD1 3.35Å
473	E	86.6	Confident	74.5	Confident	20 Å²	20	83.5 Å²	83.5	9%	0.093	49%	0.488	C	S	.	.	H	α-helix	trans	-64.7	-24	-173.2	-56.1	105.3	156	0	0	112.4	I471 I475 G477 P484 N494 S498 Y499	I471-E473 HydrophobicContact CG2-CG 4.14Å; I471-E473 PolarHBondContact O-N 2.75Å; E473-I475 PolarHBondContact O-N 2.94Å; E473-G477 VanDerWaalsContact O-CA 3.23Å; E473-G477 WeakPolarHBondContact O-CA 3.1Å; E473-G477 PolarHBondContact O-N 3.49Å; E473-P484 WeakPolarHBondContact O-CG 3.45Å; E473-N494 PolarHBondContact N-OD1 3.42Å; E473-S498 VanDerWaalsContact OE2-C 3.24Å; E473-Y499 HydrophobicContact CB-CD1 3.76Å; E473-Y499 HydrophobicContact CB-CE1 4.45Å; E473-Y499 HydrophobicContact CB-CG 4.39Å; E473-Y499 HydrophobicContact CG-CD1 3.98Å; E473-Y499 PolarHBondContact OE2-N 3.5Å
474	C	84.2	Confident	74.8	Confident	43 Å²	43	78.3 Å²	78.3	29%	0.291	45%	0.452	S	S	.	.	H	α-helix	trans	-66.8	-17.3	173.2	-56.1	0	0	0	0	114	N472 C492 E493	N472-C474 PolarHBondContact O-N 3.49Å; N472-C474 VanDerWaalsContact O-N 3.16Å; N472-C474 WeakPolarHBondContact OD1-CB 3.4Å; N472-C474 PolarHBondContact OD1-N 3.42Å; C474-C492 WeakPolarHBondContact CA-SG 2.97Å; C474-C492 HydrophobicContact CB-CB 3.75Å; C474-C492 WeakPolarHBondContact CB-SG 3.36Å; C474-C492 VanDerWaalsContact SG-C 3.5Å; C474-C492 WeakPolarHBondContact SG-CB 2.97Å; C474-C492 CovalentContact SG-SG 2.04Å; C474-C492 PolarHBondContact SG-SG 3.08Å; C474-E493 VanDerWaalsContact SG-C 3.57Å
475	I	82.7	Confident	75	Confident	138 Å²	138	73.1 Å²	73.1	71%	0.708	42%	0.42	S	S	*	.	H	α-helix	trans	-114.6	-40.6	177.8	-63.6	176.9	0	0	0	111.5	N472 E473	N472-I475 HydrophobicContact CB-CB 4.41Å; N472-I475 PolarHBondContact O-N 2.77Å; N472-I475 WeakPolarHBondContact OD1-CG1 3.36Å; N472-I475 PolarHBondContact OD1-N 3.42Å; E473-I475 PolarHBondContact O-N 2.94Å
476	E	79.3	Confident	75.2	Confident	106 Å²	106	72.1 Å²	72.1	50%	0.495	42%	0.42	S	S	.	.	H	α-helix	trans	-93.8	-14.3	-173.5	-58.9	-172.2	-163.5	0	0	113.1	K460 I471 N472	K460-E476 IonicContact NZ-OE1 3.99Å; K460-E476 PolarHBondContact NZ-OE1 2.03Å; K460-E476 IonicContact NZ-OE2 2.77Å; K460-E476 PolarHBondContact NZ-OE2 3.17Å; I471-E476 HydrophobicContact CG2-CB 4.48Å; N472-E476 PolarHBondContact O-N 3.12Å
477	G	70.7	Confident	74.9	Confident	24 Å²	24	68.4 Å²	68.4	25%	0.247	41%	0.411	C	S	.	.			trans	78.4	172.1	-180	0	0	0	0	0	114.1	E473	E473-G477 VanDerWaalsContact O-CA 3.23Å; E473-G477 WeakPolarHBondContact O-CA 3.1Å; E473-G477 PolarHBondContact O-N 3.49Å
478	L	74.2	Confident	74.3	Confident	49 Å²	49	70.4 Å²	70.4	26%	0.257	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-75	146.7	169.9	-71	164.5	0	0	0	110.6	S480 G481 I482 Y499	L478-S480 PolarHBondContact O-N 2.96Å; L478-G481 PolarHBondContact O-N 2.77Å; L478-I482 WeakPolarHBondContact CB-O 3.32Å; L478-I482 HydrophobicContact CD1-CB 4.16Å; L478-I482 HydrophobicContact CD1-CG2 4.31Å; L478-I482 PolarHBondContact N-O 2.95Å; L478-Y499 HydrophobicContact CD2-CE1 3.75Å
479	S	65.2	Low	73.9	Confident	135 Å²	135	68.7 Å²	68.7	94%	0.944	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-12	173.8	-38.5	0	0	0	0	114.9
480	S	61.1	Low	73.6	Confident	96 Å²	96	68 Å²	68	67%	0.671	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.7	174.7	-49.4	0	0	0	0	114.2	L478 I482	L478-S480 PolarHBondContact O-N 2.96Å; S480-I482 VanDerWaalsContact C-N 3.34Å
481	G	59.8	Low	73.6	Confident	80 Å²	80	71.9 Å²	71.9	83%	0.825	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	26.8	-172.2	0	0	0	0	0	113.6	L478	L478-G481 PolarHBondContact O-N 2.77Å
482	I	66.2	Low	73.6	Confident	71 Å²	71	71.8 Å²	71.8	36%	0.364	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-115.3	139.1	-174.3	-60.1	175.8	0	0	0	109.3	L478 S480 K486	L478-I482 WeakPolarHBondContact CB-O 3.32Å; L478-I482 HydrophobicContact CD1-CB 4.16Å; L478-I482 HydrophobicContact CD1-CG2 4.31Å; L478-I482 PolarHBondContact N-O 2.95Å; S480-I482 VanDerWaalsContact C-N 3.34Å; I482-K486 VanDerWaalsContact CG2-CE 3.4Å
483	L	67.3	Low	73.6	Confident	133 Å²	133	73 Å²	73	70%	0.696	42%	0.424	S	S	*	.			trans	-61.1	131.5	171.9	-129.6	74.9	0	0	0	110	C485	L483-C485 VanDerWaalsContact C-N 3.32Å; L483-C485 PolarHBondContact O-N 2.99Å
484	P	71.8	Confident	73.5	Confident	19 Å²	19	74.5 Å²	74.5	12%	0.123	43%	0.432	C	S	.	.	S	Bend	trans	-59.1	-39.9	-175.2	21.5	-34.4	0	0	0	113.5	E473 C492 Y499	E473-P484 WeakPolarHBondContact O-CG 3.45Å; P484-C492 HydrophobicContact CG-CB 4.41Å; P484-C492 VanDerWaalsContact CG-SG 3.52Å; P484-Y499 HydrophobicContact CB-CD1 4.06Å; P484-Y499 HydrophobicContact CB-CD2 3.58Å; P484-Y499 HydrophobicContact CB-CE1 4.09Å; P484-Y499 HydrophobicContact CB-CE2 3.57Å; P484-Y499 HydrophobicContact CB-CG 3.82Å; P484-Y499 WeakPolarHBondContact O-CE2 3.34Å
485	C	75.1	Confident	73.4	Confident	8 Å²	8	76.1 Å²	76.1	5%	0.054	44%	0.438	C	S	.	.	S	Bend	trans	-108	140.5	171.8	-53.5	0	0	0	0	110.4	L483 C501	L483-C485 VanDerWaalsContact C-N 3.32Å; L483-C485 PolarHBondContact O-N 2.99Å; C485-C501 WeakPolarHBondContact CA-SG 3.38Å; C485-C501 HydrophobicContact CB-CB 3.95Å; C485-C501 WeakPolarHBondContact CB-SG 3.36Å; C485-C501 VanDerWaalsContact SG-CA 3.5Å; C485-C501 WeakPolarHBondContact SG-CB 3.07Å; C485-C501 CovalentContact SG-SG 2.04Å; C485-C501 PolarHBondContact SG-SG 2.85Å
486	K	69.2	Low	73.3	Confident	143 Å²	143	73.5 Å²	73.5	62%	0.622	43%	0.43	S	S	*	.			trans	-123.7	126.3	179.3	-79.7	-174.9	174.4	178	0	111.2	I482	I482-K486 VanDerWaalsContact CG2-CE 3.4Å
487	G	64.9	Low	73.1	Confident	45 Å²	45	69.6 Å²	69.6	46%	0.464	42%	0.418	S	S	.	.	S	Bend	trans	131.7	147.5	177.3	0	0	0	0	0	111	T490	G487-T490 WeakPolarHBondContact O-CB 3.47Å; G487-T490 WeakPolarHBondContact O-CG2 3.45Å; G487-T490 PolarHBondContact O-N 2.8Å; G487-T490 PolarHBondContact O-OG1 3.02Å
488	E	65.2	Low	73.7	Confident	136 Å²	136	71.1 Å²	71.1	64%	0.636	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	148.5	166.6	-63.5	-172.1	146.3	0	0	109.5	T490 F507	E488-T490 PolarHBondContact O-N 2.04Å; E488-F507 HydrophobicContact CB-CE1 4.43Å
489	G	71.8	Confident	74.2	Confident	12 Å²	12	72 Å²	72	12%	0.124	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	3.9	-176.1	0	0	0	0	0	116.1	C503 I504 F507	G489-C503 WeakPolarHBondContact O-CA 3.39Å; G489-I504 WeakPolarHBondContact O-CG1 3.37Å; G489-I504 PolarHBondContact O-N 2.87Å; G489-F507 VanDerWaalsContact CA-CE2 3.43Å
490	T	77.5	Confident	75.1	Confident	32 Å²	32	69.2 Å²	69.2	20%	0.196	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	140.1	175.2	61.3	0	0	0	0	112.7	G487 E488 S502 C515	G487-T490 WeakPolarHBondContact O-CB 3.47Å; G487-T490 WeakPolarHBondContact O-CG2 3.45Å; G487-T490 PolarHBondContact O-N 2.8Å; G487-T490 PolarHBondContact O-OG1 3.02Å; E488-T490 PolarHBondContact O-N 2.04Å; T490-S502 CarbonylContact C-O 3.52Å; T490-S502 WeakPolarHBondContact CA-O 3.34Å; T490-C515 HydrophobicContact CG2-CB 3.94Å
491	R	83.1	Confident	76.2	Confident	135 Å²	135	66.6 Å²	66.6	51%	0.509	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.7	174.7	163.5	-178.1	170	157.4	-3.3	109.5	E493 S502 I504	R491-E493 HydrophobicContact CG-CG 4.26Å; R491-E493 IonicContact CZ-OE1 3.85Å; R491-E493 VanDerWaalsContact CZ-OE1 3.22Å; R491-E493 IonicContact NE-OE1 2.74Å; R491-E493 PolarHBondContact NE-OE1 2.98Å; R491-E493 VanDerWaalsContact NE-OE1 3.13Å; R491-E493 IonicContact NH2-OE1 2.6Å; R491-E493 PolarHBondContact NH2-OE1 2.79Å; R491-S502 WeakPolarHBondContact CB-OG 3.34Å; R491-S502 WeakPolarHBondContact CG-OG 3.47Å; R491-S502 PolarHBondContact N-O 3.17Å; R491-S502 PolarHBondContact O-N 3.37Å; R491-S502 PolarHBondContact O-OG 3.21Å; R491-I504 HydrophobicContact CB-CG1 3.87Å
492	C	85.3	Confident	77.3	Confident	37 Å²	37	64 Å²	64	25%	0.25	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.4	170.7	-168.2	0	0	0	0	110.3	C474 P484 N500	C474-C492 WeakPolarHBondContact CA-SG 2.97Å; C474-C492 HydrophobicContact CB-CB 3.75Å; C474-C492 WeakPolarHBondContact CB-SG 3.36Å; C474-C492 VanDerWaalsContact SG-C 3.5Å; C474-C492 WeakPolarHBondContact SG-CB 2.97Å; C474-C492 CovalentContact SG-SG 2.04Å; C474-C492 PolarHBondContact SG-SG 3.08Å; P484-C492 HydrophobicContact CG-CB 4.41Å; P484-C492 VanDerWaalsContact CG-SG 3.52Å; C492-N500 WeakPolarHBondContact CA-O 3.32Å
493	E	85.4	Confident	78.2	Confident	72 Å²	72	62.2 Å²	62.2	34%	0.336	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.7	168.6	-59.5	-161.5	129.1	0	0	109.8	C474 R491 Y499 N500	C474-E493 VanDerWaalsContact SG-C 3.57Å; R491-E493 HydrophobicContact CG-CG 4.26Å; R491-E493 IonicContact CZ-OE1 3.85Å; R491-E493 VanDerWaalsContact CZ-OE1 3.22Å; R491-E493 IonicContact NE-OE1 2.74Å; R491-E493 PolarHBondContact NE-OE1 2.98Å; R491-E493 VanDerWaalsContact NE-OE1 3.13Å; R491-E493 IonicContact NH2-OE1 2.6Å; R491-E493 PolarHBondContact NH2-OE1 2.79Å; E493-Y499 CarbonylContact O-C 3.58Å; E493-Y499 WeakPolarHBondContact O-CA 3.49Å; E493-N500 PolarHBondContact N-O 2.84Å; E493-N500 PolarHBondContact O-N 3.18Å
494	N	82.5	Confident	78.8	Confident	50 Å²	50	59.9 Å²	59.9	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.5	-177.2	-164.9	76.4	0	0	0	111.7	D470 N472 E473	D470-N494 PolarHBondContact OD2-ND2 3.28Å; N472-N494 WeakPolarHBondContact CA-OD1 3.35Å; E473-N494 PolarHBondContact N-OD1 3.42Å
495	L	83.4	Confident	79.3	Confident	78 Å²	78	64.5 Å²	64.5	41%	0.408	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	158.6	177	-53	173.5	0	0	0	109.8	G497 S498 N500	L495-G497 PolarHBondContact O-N 3.06Å; L495-S498 CarbonylContact C-O 3.38Å; L495-S498 VanDerWaalsContact C-O 3.28Å; L495-S498 WeakPolarHBondContact CA-O 3.29Å; L495-S498 WeakPolarHBondContact CB-O 3.42Å; L495-S498 PolarHBondContact N-O 3.47Å; L495-S498 PolarHBondContact O-N 2.82Å; L495-S498 VanDerWaalsContact O-N 3.14Å; L495-N500 HydrophobicContact CD1-CB 3.95Å; L495-N500 HydrophobicContact CG-CB 4.46Å
496	P	79.9	Confident	79.5	Confident	82 Å²	82	64.8 Å²	64.8	53%	0.532	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	102.3	178.3	-25	36.2	0	0	0	113	Y459 D470	Y459-P496 VanDerWaalsContact OH-C 3.24Å; Y459-P496 PolarHBondContact OH-O 2.03Å; D470-P496 WeakPolarHBondContact OD1-CA 3.35Å
497	G	75.4	Confident	80.3	Confident	24 Å²	24	59.5 Å²	59.5	25%	0.247	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	19.8	-177.5	0	0	0	0	0	115.9	Y459 D470 L495	Y459-G497 VanDerWaalsContact CE2-CA 3.47Å; Y459-G497 PolarHBondContact OH-N 3.3Å; D470-G497 PolarHBondContact OD1-N 2.68Å; L495-G497 PolarHBondContact O-N 3.06Å
498	S	83.1	Confident	81.2	Confident	57 Å²	57	59.8 Å²	59.8	40%	0.399	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	161.7	177.7	-174	0	0	0	0	111	E473 L495	E473-S498 VanDerWaalsContact OE2-C 3.24Å; L495-S498 CarbonylContact C-O 3.38Å; L495-S498 VanDerWaalsContact C-O 3.28Å; L495-S498 WeakPolarHBondContact CA-O 3.29Å; L495-S498 WeakPolarHBondContact CB-O 3.42Å; L495-S498 PolarHBondContact N-O 3.47Å; L495-S498 PolarHBondContact O-N 2.82Å; L495-S498 VanDerWaalsContact O-N 3.14Å
499	Y	85.5	Confident	81.9	Confident	68 Å²	68	57.9 Å²	57.9	27%	0.267	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	167.9	162.2	59.6	-80.8	0	0	0	111.4	E473 L478 P484 E493	E473-Y499 HydrophobicContact CB-CD1 3.76Å; E473-Y499 HydrophobicContact CB-CE1 4.45Å; E473-Y499 HydrophobicContact CB-CG 4.39Å; E473-Y499 HydrophobicContact CG-CD1 3.98Å; E473-Y499 PolarHBondContact OE2-N 3.5Å; L478-Y499 HydrophobicContact CD2-CE1 3.75Å; P484-Y499 HydrophobicContact CB-CD1 4.06Å; P484-Y499 HydrophobicContact CB-CD2 3.58Å; P484-Y499 HydrophobicContact CB-CE1 4.09Å; P484-Y499 HydrophobicContact CB-CE2 3.57Å; P484-Y499 HydrophobicContact CB-CG 3.82Å; P484-Y499 WeakPolarHBondContact O-CE2 3.34Å; E493-Y499 CarbonylContact O-C 3.58Å; E493-Y499 WeakPolarHBondContact O-CA 3.49Å
500	N	84.3	Confident	82.2	Confident	76 Å²	76	58.6 Å²	58.6	41%	0.406	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.4	169.4	179.3	37.9	0	0	0	109.6	C492 E493 L495	C492-N500 WeakPolarHBondContact CA-O 3.32Å; E493-N500 PolarHBondContact N-O 2.84Å; E493-N500 PolarHBondContact O-N 3.18Å; L495-N500 HydrophobicContact CD1-CB 3.95Å; L495-N500 HydrophobicContact CG-CB 4.46Å
501	C	83.1	Confident	82.1	Confident	40 Å²	40	63.7 Å²	63.7	27%	0.27	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.9	176.1	-63.4	0	0	0	0	110.2	C485 M509	C485-C501 WeakPolarHBondContact CA-SG 3.38Å; C485-C501 HydrophobicContact CB-CB 3.95Å; C485-C501 WeakPolarHBondContact CB-SG 3.36Å; C485-C501 VanDerWaalsContact SG-CA 3.5Å; C485-C501 WeakPolarHBondContact SG-CB 3.07Å; C485-C501 CovalentContact SG-SG 2.04Å; C485-C501 PolarHBondContact SG-SG 2.85Å; C501-M509 WeakPolarHBondContact O-CE 3.4Å
502	S	83.6	Confident	81.7	Confident	27 Å²	27	62.8 Å²	62.8	19%	0.189	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	164.2	179.2	57.3	0	0	0	0	110.2	T490 R491	T490-S502 CarbonylContact C-O 3.52Å; T490-S502 WeakPolarHBondContact CA-O 3.34Å; R491-S502 WeakPolarHBondContact CB-OG 3.34Å; R491-S502 WeakPolarHBondContact CG-OG 3.47Å; R491-S502 PolarHBondContact N-O 3.17Å; R491-S502 PolarHBondContact O-N 3.37Å; R491-S502 PolarHBondContact O-OG 3.21Å
503	C	83.9	Confident	80.9	Confident	33 Å²	33	63.3 Å²	63.3	22%	0.223	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	140.8	171.6	-59.5	0	0	0	0	110.8	G489 F507 C515	G489-C503 WeakPolarHBondContact O-CA 3.39Å; C503-F507 HydrophobicContact CB-CB 3.92Å; C503-C515 WeakPolarHBondContact CA-SG 3.43Å; C503-C515 HydrophobicContact CB-CB 3.99Å; C503-C515 WeakPolarHBondContact CB-SG 3.44Å; C503-C515 VanDerWaalsContact SG-CA 3.53Å; C503-C515 WeakPolarHBondContact SG-CB 3.38Å; C503-C515 CovalentContact SG-SG 2.04Å; C503-C515 PolarHBondContact SG-SG 3.44Å
504	I	81.9	Confident	80.4	Confident	84 Å²	84	62.4 Å²	62.4	43%	0.431	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-71.2	151.8	170.7	-59	168.3	0	0	0	108.4	G489 R491 G506 F507	G489-I504 WeakPolarHBondContact O-CG1 3.37Å; G489-I504 PolarHBondContact O-N 2.87Å; R491-I504 HydrophobicContact CB-CG1 3.87Å; I504-G506 PolarHBondContact O-N 2.64Å; I504-F507 HydrophobicContact CB-CD2 4.47Å; I504-F507 WeakPolarHBondContact O-CB 3.43Å; I504-F507 PolarHBondContact O-N 3.49Å
505	S	81.7	Confident	80.3	Confident	116 Å²	116	60.7 Å²	60.7	81%	0.811	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	135.6	171.1	-54.3	0	0	0	0	111.4
506	G	78.3	Confident	80.3	Confident	14 Å²	14	60 Å²	60	14%	0.144	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	94	-9.8	-169.1	0	0	0	0	0	114	I504 I518	I504-G506 PolarHBondContact O-N 2.64Å; G506-I518 WeakPolarHBondContact O-CB 3.05Å; G506-I518 PolarHBondContact O-N 2.89Å
507	F	86.5	Confident	80.4	Confident	31 Å²	31	58.5 Å²	58.5	14%	0.136	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151.9	176.4	-61.7	-100.9	0	0	0	112.2	E488 G489 C503 I504 C515 V516 D517 I538	E488-F507 HydrophobicContact CB-CE1 4.43Å; G489-F507 VanDerWaalsContact CA-CE2 3.43Å; C503-F507 HydrophobicContact CB-CB 3.92Å; I504-F507 HydrophobicContact CB-CD2 4.47Å; I504-F507 WeakPolarHBondContact O-CB 3.43Å; I504-F507 PolarHBondContact O-N 3.49Å; F507-C515 HydrophobicContact CB-CB 4.06Å; F507-C515 HydrophobicContact CD1-CB 4.35Å; F507-V516 WeakPolarHBondContact CA-O 3.45Å; F507-D517 HydrophobicContact CE1-CB 4.49Å; F507-I538 HydrophobicContact CE1-CG2 3.98Å; F507-I538 HydrophobicContact CZ-CG2 3.69Å
508	S	83.7	Confident	80.8	Confident	51 Å²	51	60.7 Å²	60.7	36%	0.357	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.1	178.6	61.8	0	0	0	0	111.1	A510 C515 V516	S508-A510 PolarHBondContact O-N 2.68Å; S508-C515 CarbonylContact O-C 3.54Å; S508-C515 WeakPolarHBondContact O-CA 3.37Å; S508-V516 PolarHBondContact N-O 2.9Å; S508-V516 WeakPolarHBondContact O-CG2 3.26Å; S508-V516 PolarHBondContact O-N 2.84Å; S508-V516 PolarHBondContact OG-O 2.89Å
509	M	79.6	Confident	80.8	Confident	96 Å²	96	60.9 Å²	60.9	47%	0.473	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.2	-177	-163.8	71.8	73.5	0	0	110.5	C501	C501-M509 WeakPolarHBondContact O-CE 3.4Å
510	A	78.1	Confident	80.8	Confident	27 Å²	27	59.2 Å²	59.2	22%	0.223	37%	0.365	C	S	.	.			trans	-74.4	165.2	173	0	0	0	0	0	111.9	S508 D512 G513 T514 V516	S508-A510 PolarHBondContact O-N 2.68Å; A510-D512 WeakPolarHBondContact CB-OD1 3.01Å; A510-D512 PolarHBondContact O-N 2.85Å; A510-D512 VanDerWaalsContact O-N 3.08Å; A510-G513 PolarHBondContact O-N 2.95Å; A510-T514 WeakPolarHBondContact CB-O 3.05Å; A510-T514 PolarHBondContact N-O 2.03Å; A510-V516 HydrophobicContact CB-CG1 3.92Å; A510-V516 HydrophobicContact CB-CG2 4.01Å
511	S	76.1	Confident	80.7	Confident	140 Å²	140	57.1 Å²	57.1	98%	0.979	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-9.8	-176.6	54.1	0	0	0	0	115.2
512	D	74.3	Confident	80.5	Confident	116 Å²	116	60.4 Å²	60.4	62%	0.62	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	0.4	175	62.5	0.8	0	0	0	113.4	A510 T514	A510-D512 WeakPolarHBondContact CB-OD1 3.01Å; A510-D512 PolarHBondContact O-N 2.85Å; A510-D512 VanDerWaalsContact O-N 3.08Å; D512-T514 WeakPolarHBondContact OD1-CB 3.32Å; D512-T514 WeakPolarHBondContact OD1-CG2 3.2Å; D512-T514 PolarHBondContact OD1-N 2.9Å; D512-T514 PolarHBondContact OD1-OG1 2.83Å
513	G	69.4	Low	80	Confident	47 Å²	47	61.7 Å²	61.7	49%	0.485	38%	0.384	S	S	.	.	S	Bend	trans	83.6	9.5	-176.8	0	0	0	0	0	114.7	A510	A510-G513 PolarHBondContact O-N 2.95Å
514	T	74.8	Confident	79.3	Confident	53 Å²	53	67.9 Å²	67.9	33%	0.325	42%	0.421	S	S	.	.			trans	-83.3	148.4	169.7	63.2	0	0	0	0	111.3	A510 D512	A510-T514 WeakPolarHBondContact CB-O 3.05Å; A510-T514 PolarHBondContact N-O 2.03Å; D512-T514 WeakPolarHBondContact OD1-CB 3.32Å; D512-T514 WeakPolarHBondContact OD1-CG2 3.2Å; D512-T514 PolarHBondContact OD1-N 2.9Å; D512-T514 PolarHBondContact OD1-OG1 2.83Å
515	C	80.4	Confident	78.8	Confident	14 Å²	14	73 Å²	73	10%	0.095	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.9	169.7	-69.7	0	0	0	0	109.4	T490 C503 F507 S508	T490-C515 HydrophobicContact CG2-CB 3.94Å; C503-C515 WeakPolarHBondContact CA-SG 3.43Å; C503-C515 HydrophobicContact CB-CB 3.99Å; C503-C515 WeakPolarHBondContact CB-SG 3.44Å; C503-C515 VanDerWaalsContact SG-CA 3.53Å; C503-C515 WeakPolarHBondContact SG-CB 3.38Å; C503-C515 CovalentContact SG-SG 2.04Å; C503-C515 PolarHBondContact SG-SG 3.44Å; F507-C515 HydrophobicContact CB-CB 4.06Å; F507-C515 HydrophobicContact CD1-CB 4.35Å; S508-C515 CarbonylContact O-C 3.54Å; S508-C515 WeakPolarHBondContact O-CA 3.37Å
516	V	82.3	Confident	78.1	Confident	65 Å²	65	71 Å²	71	39%	0.394	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.9	176.3	-66.5	0	0	0	0	110.5	F507 S508 A510	F507-V516 WeakPolarHBondContact CA-O 3.45Å; S508-V516 PolarHBondContact N-O 2.9Å; S508-V516 WeakPolarHBondContact O-CG2 3.26Å; S508-V516 PolarHBondContact O-N 2.84Å; S508-V516 PolarHBondContact OG-O 2.89Å; A510-V516 HydrophobicContact CB-CG1 3.92Å; A510-V516 HydrophobicContact CB-CG2 4.01Å
517	D	83.6	Confident	78.1	Confident	50 Å²	50	72.3 Å²	72.3	27%	0.267	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	130.3	178.4	-177.7	56.2	0	0	0	112.6	F507 N519 N536 G539	F507-D517 HydrophobicContact CE1-CB 4.49Å; D517-N519 PolarHBondContact O-N 3.39Å; D517-N536 PolarHBondContact OD2-ND2 3.34Å; D517-G539 PolarHBondContact OD1-N 2.97Å
518	I	83.4	Confident	77.7	Confident	69 Å²	69	71.6 Å²	71.6	35%	0.354	42%	0.421	S	S	.	.			trans	-84.4	102.4	177.8	-60.5	173.2	0	0	0	107.8	G506 E520	G506-I518 WeakPolarHBondContact O-CB 3.05Å; G506-I518 PolarHBondContact O-N 2.89Å; I518-E520 HydrophobicContact CG2-CG 4.16Å; I518-E520 PolarHBondContact O-N 3.06Å
519	N	82.7	Confident	77.2	Confident	61 Å²	61	75.1 Å²	75.1	33%	0.326	44%	0.435	S	S	.	.			trans	-74.3	85.6	178.7	-175.9	-24.9	0	0	0	111.9	D517 C521 T522 S523 N536	D517-N519 PolarHBondContact O-N 3.39Å; N519-C521 PolarHBondContact O-N 3.26Å; N519-C521 WeakPolarHBondContact OD1-CB 2.99Å; N519-C521 PolarHBondContact OD1-N 3.13Å; N519-T522 WeakPolarHBondContact CB-OG1 3.24Å; N519-T522 VanDerWaalsContact CG-OG1 3.28Å; N519-T522 PolarHBondContact O-N 3.35Å; N519-T522 PolarHBondContact O-OG1 3.31Å; N519-T522 PolarHBondContact OD1-N 3.43Å; N519-T522 PolarHBondContact OD1-OG1 3.06Å; N519-S523 PolarHBondContact O-N 3.09Å; N519-N536 VanDerWaalsContact CA-OD1 3.24Å; N519-N536 WeakPolarHBondContact CA-OD1 3.32Å; N519-N536 PolarHBondContact OD1-OD1 3.42Å
520	E	85.7	Confident	76.5	Confident	33 Å²	33	78.3 Å²	78.3	15%	0.154	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-64.4	-26	-175	-56.7	99.8	154.7	0	0	112.4	I518 T522 S523 P527 Y541	I518-E520 HydrophobicContact CG2-CG 4.16Å; I518-E520 PolarHBondContact O-N 3.06Å; E520-T522 PolarHBondContact O-N 2.82Å; E520-S523 VanDerWaalsContact O-CB 3.32Å; E520-S523 WeakPolarHBondContact O-CB 3.04Å; E520-S523 PolarHBondContact O-N 3.43Å; E520-S523 VanDerWaalsContact O-N 3.08Å; E520-S523 PolarHBondContact O-OG 3.08Å; E520-P527 HydrophobicContact CB-CG 4.11Å; E520-Y541 HydrophobicContact CB-CD1 3.94Å; E520-Y541 HydrophobicContact CB-CG 4.31Å; E520-Y541 VanDerWaalsContact CD-CD1 3.41Å; E520-Y541 HydrophobicContact CG-CD1 3.89Å; E520-Y541 HydrophobicContact CG-CE1 4.36Å; E520-Y541 WeakPolarHBondContact OE2-CB 3.44Å; E520-Y541 WeakPolarHBondContact OE2-CD1 3.01Å
521	C	82.2	Confident	75.7	Confident	32 Å²	32	79.8 Å²	79.8	22%	0.216	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-65	-17.4	173.1	-54	0	0	0	0	113.8	N519 C534 R535 N536	N519-C521 PolarHBondContact O-N 3.26Å; N519-C521 WeakPolarHBondContact OD1-CB 2.99Å; N519-C521 PolarHBondContact OD1-N 3.13Å; C521-C534 WeakPolarHBondContact CA-SG 3.48Å; C521-C534 HydrophobicContact CB-CB 3.61Å; C521-C534 WeakPolarHBondContact CB-SG 3.49Å; C521-C534 WeakPolarHBondContact SG-CB 3.33Å; C521-C534 CovalentContact SG-SG 2.03Å; C521-C534 PolarHBondContact SG-SG 2.93Å; C521-R535 VanDerWaalsContact SG-C 3.5Å; C521-N536 PolarHBondContact SG-N 2.92Å; C521-N536 VanDerWaalsContact SG-N 3.42Å
522	T	78	Confident	75.3	Confident	109 Å²	109	76 Å²	76	67%	0.669	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-106.5	2.3	173	60	0	0	0	0	113.8	N519 E520	N519-T522 WeakPolarHBondContact CB-OG1 3.24Å; N519-T522 VanDerWaalsContact CG-OG1 3.28Å; N519-T522 PolarHBondContact O-N 3.35Å; N519-T522 PolarHBondContact O-OG1 3.31Å; N519-T522 PolarHBondContact OD1-N 3.43Å; N519-T522 PolarHBondContact OD1-OG1 3.06Å; E520-T522 PolarHBondContact O-N 2.82Å
523	S	73.4	Confident	75.2	Confident	54 Å²	54	74.9 Å²	74.9	38%	0.378	44%	0.435	S	S	.	.	S	Bend	trans	-69.2	163.4	175.5	76.9	0	0	0	0	111.9	N519 E520 Y525	N519-S523 PolarHBondContact O-N 3.09Å; E520-S523 VanDerWaalsContact O-CB 3.32Å; E520-S523 WeakPolarHBondContact O-CB 3.04Å; E520-S523 PolarHBondContact O-N 3.43Å; E520-S523 VanDerWaalsContact O-N 3.08Å; E520-S523 PolarHBondContact O-OG 3.08Å; S523-Y525 PolarHBondContact O-N 3.12Å; S523-Y525 VanDerWaalsContact O-N 3.12Å; S523-Y525 PolarHBondContact OG-O 3.35Å
524	T	69.9	Low	75.7	Confident	163 Å²	163	73.7 Å²	73.7	100%	1	42%	0.42	S	S	*	.	S	Bend	trans	-67.8	-6.7	178.2	44.6	0	0	0	0	114.2
525	Y	70.1	Confident	76	Confident	192 Å²	192	77.2 Å²	77.2	75%	0.753	43%	0.427	S	S	*	.	S	Bend	trans	-137.3	92.7	174.3	-176.2	-92.9	0	0	0	108.7	S523 P527	S523-Y525 PolarHBondContact O-N 3.12Å; S523-Y525 VanDerWaalsContact O-N 3.12Å; S523-Y525 PolarHBondContact OG-O 3.35Å; Y525-P527 WeakPolarHBondContact O-CD 3.2Å; Y525-P527 VanDerWaalsContact O-N 3.16Å
526	N	68.4	Low	75.9	Confident	74 Å²	74	78.7 Å²	78.7	40%	0.396	43%	0.434	S	S	.	.			trans	-56.7	119.4	174.6	176.8	-3.8	0	0	0	109	C528	N526-C528 PolarHBondContact O-N 3.14Å; N526-C528 WeakPolarHBondContact OD1-CB 3.2Å; N526-C528 PolarHBondContact OD1-N 3.42Å
527	P	77.4	Confident	75.9	Confident	41 Å²	41	78.1 Å²	78.1	27%	0.266	43%	0.428	S	S	.	.			trans	-73.8	-8	-174	30.6	-37.5	0	0	0	114	E520 Y525 Y541	E520-P527 HydrophobicContact CB-CG 4.11Å; Y525-P527 WeakPolarHBondContact O-CD 3.2Å; Y525-P527 VanDerWaalsContact O-N 3.16Å; P527-Y541 HydrophobicContact CB-CD2 4.24Å; P527-Y541 HydrophobicContact CB-CE1 4.29Å; P527-Y541 HydrophobicContact CB-CE2 3.54Å; P527-Y541 HydrophobicContact CG-CD1 4.16Å; P527-Y541 HydrophobicContact CG-CD2 3.49Å; P527-Y541 VanDerWaalsContact CG-CD2 3.49Å; P527-Y541 HydrophobicContact CG-CE1 4Å; P527-Y541 HydrophobicContact CG-CE2 3.32Å; P527-Y541 HydrophobicContact CG-CG 3.92Å
528	C	78.7	Confident	75.7	Confident	16 Å²	16	81.2 Å²	81.2	11%	0.108	44%	0.444	C	S	.	.	S	Bend	trans	-86	148.9	-179	-58.5	0	0	0	0	113.2	N526 Q532 C534 C543	N526-C528 PolarHBondContact O-N 3.14Å; N526-C528 WeakPolarHBondContact OD1-CB 3.2Å; N526-C528 PolarHBondContact OD1-N 3.42Å; C528-Q532 HydrophobicContact CB-CB 3.97Å; C528-C534 HydrophobicContact CB-CB 4.4Å; C528-C534 VanDerWaalsContact SG-CB 3.53Å; C528-C543 WeakPolarHBondContact CA-SG 3.28Å; C528-C543 HydrophobicContact CB-CB 3.71Å; C528-C543 WeakPolarHBondContact CB-SG 2.77Å; C528-C543 WeakPolarHBondContact SG-CA 3.36Å; C528-C543 WeakPolarHBondContact SG-CB 3.35Å; C528-C543 CovalentContact SG-SG 2.04Å; C528-C543 PolarHBondContact SG-SG 3.47Å
529	L	72.6	Confident	75.3	Confident	126 Å²	126	78.8 Å²	78.8	66%	0.66	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-68.2	155	179.4	-62.3	173	0	0	0	111.8	G531 Q532	L529-G531 PolarHBondContact O-N 2.68Å; L529-G531 VanDerWaalsContact O-N 3.1Å; L529-Q532 HydrophobicContact CB-CG 4.42Å; L529-Q532 WeakPolarHBondContact O-CB 3.42Å; L529-Q532 PolarHBondContact O-N 2.89Å
530	V	63.9	Low	75.2	Confident	162 Å²	162	78.3 Å²	78.3	98%	0.982	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	117.3	175.7	-177.3	0	0	0	0	109.9
531	G	61.2	Low	75.2	Confident	59 Å²	59	81.6 Å²	81.6	61%	0.608	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	100	5.2	-174.2	0	0	0	0	0	115.4	L529	L529-G531 PolarHBondContact O-N 2.68Å; L529-G531 VanDerWaalsContact O-N 3.1Å
532	Q	68.6	Low	75.1	Confident	60 Å²	60	83.4 Å²	83.4	28%	0.28	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.2	169.7	-65.8	173.1	-21.2	0	0	111	C528 L529 C543 L544	C528-Q532 HydrophobicContact CB-CB 3.97Å; L529-Q532 HydrophobicContact CB-CG 4.42Å; L529-Q532 WeakPolarHBondContact O-CB 3.42Å; L529-Q532 PolarHBondContact O-N 2.89Å; Q532-C543 HydrophobicContact CB-CB 4.28Å; Q532-L544 CarbonylContact C-O 3.6Å; Q532-L544 WeakPolarHBondContact CA-O 3.48Å
533	Q	72.1	Confident	75.1	Confident	92 Å²	92	80.2 Å²	80.2	43%	0.43	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.4	170.6	-173.4	-178.9	36.7	0	0	109	R535 L544 E546	Q533-R535 PolarHBondContact O-N 3.47Å; Q533-L544 PolarHBondContact N-O 3.02Å; Q533-L544 PolarHBondContact O-N 2.74Å; Q533-E546 HydrophobicContact CB-CG 4.04Å
534	C	79.3	Confident	74.6	Confident	23 Å²	23	80.7 Å²	80.7	16%	0.155	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	120.1	172.2	-168.9	0	0	0	0	109.6	C521 C528	C521-C534 WeakPolarHBondContact CA-SG 3.48Å; C521-C534 HydrophobicContact CB-CB 3.61Å; C521-C534 WeakPolarHBondContact CB-SG 3.49Å; C521-C534 WeakPolarHBondContact SG-CB 3.33Å; C521-C534 CovalentContact SG-SG 2.03Å; C521-C534 PolarHBondContact SG-SG 2.93Å; C528-C534 HydrophobicContact CB-CB 4.4Å; C528-C534 VanDerWaalsContact SG-CB 3.53Å
535	R	81.8	Confident	74	Confident	127 Å²	127	78.9 Å²	78.9	48%	0.479	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.5	168.9	171	-174.5	173.7	-158.7	4.7	108.4	C521 Q533 L537 Q542 L544	C521-R535 VanDerWaalsContact SG-C 3.5Å; Q533-R535 PolarHBondContact O-N 3.47Å; R535-L537 HydrophobicContact CG-CD2 4.26Å; R535-Q542 HydrophobicContact CB-CB 4.41Å; R535-Q542 PolarHBondContact N-O 2.8Å; R535-Q542 PolarHBondContact O-N 2.85Å; R535-L544 HydrophobicContact CB-CD1 3.98Å; R535-L544 HydrophobicContact CB-CG 4.43Å
536	N	78.7	Confident	73.2	Confident	45 Å²	45	74.1 Å²	74.1	24%	0.241	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	139.7	172.6	-155.3	63.3	0	0	0	111.1	D517 N519 C521	D517-N536 PolarHBondContact OD2-ND2 3.34Å; N519-N536 VanDerWaalsContact CA-OD1 3.24Å; N519-N536 WeakPolarHBondContact CA-OD1 3.32Å; N519-N536 PolarHBondContact OD1-OD1 3.42Å; C521-N536 PolarHBondContact SG-N 2.92Å; C521-N536 VanDerWaalsContact SG-N 3.42Å
537	L	81.5	Confident	72.4	Confident	52 Å²	52	74.7 Å²	74.7	27%	0.272	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	166.2	171	-54.9	176.8	0	0	0	108.3	R535 G539 S540 Q542	R535-L537 HydrophobicContact CG-CD2 4.26Å; L537-G539 PolarHBondContact O-N 3.43Å; L537-S540 CarbonylContact C-O 3.55Å; L537-S540 VanDerWaalsContact C-O 3.29Å; L537-S540 VanDerWaalsContact CA-O 3.25Å; L537-S540 WeakPolarHBondContact CA-O 3.4Å; L537-S540 VanDerWaalsContact CB-O 3.25Å; L537-S540 WeakPolarHBondContact CB-O 3Å; L537-S540 PolarHBondContact N-O 3.19Å; L537-S540 PolarHBondContact O-N 3.13Å; L537-Q542 HydrophobicContact CD1-CB 3.94Å; L537-Q542 HydrophobicContact CG-CB 4.27Å
538	I	80.4	Confident	71.5	Confident	115 Å²	115	77.6 Å²	77.6	59%	0.59	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	114.3	176.8	-65.6	171.8	0	0	0	108.5	F507	F507-I538 HydrophobicContact CE1-CG2 3.98Å; F507-I538 HydrophobicContact CZ-CG2 3.69Å
539	G	74.5	Confident	70.8	Confident	19 Å²	19	78.1 Å²	78.1	20%	0.196	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	12.3	-177.8	0	0	0	0	0	115.6	D517 L537	D517-G539 PolarHBondContact OD1-N 2.97Å; L537-G539 PolarHBondContact O-N 3.43Å
540	S	81.7	Confident	70.2	Confident	50 Å²	50	74 Å²	74	35%	0.35	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	171.5	-179.9	52.5	0	0	0	0	113.1	L537	L537-S540 CarbonylContact C-O 3.55Å; L537-S540 VanDerWaalsContact C-O 3.29Å; L537-S540 VanDerWaalsContact CA-O 3.25Å; L537-S540 WeakPolarHBondContact CA-O 3.4Å; L537-S540 VanDerWaalsContact CB-O 3.25Å; L537-S540 WeakPolarHBondContact CB-O 3Å; L537-S540 PolarHBondContact N-O 3.19Å; L537-S540 PolarHBondContact O-N 3.13Å
541	Y	84.7	Confident	70.6	Confident	102 Å²	102	77 Å²	77	40%	0.4	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	155.4	170.7	61.9	-79.5	0	0	0	112.3	E520 P527	E520-Y541 HydrophobicContact CB-CD1 3.94Å; E520-Y541 HydrophobicContact CB-CG 4.31Å; E520-Y541 VanDerWaalsContact CD-CD1 3.41Å; E520-Y541 HydrophobicContact CG-CD1 3.89Å; E520-Y541 HydrophobicContact CG-CE1 4.36Å; E520-Y541 WeakPolarHBondContact OE2-CB 3.44Å; E520-Y541 WeakPolarHBondContact OE2-CD1 3.01Å; P527-Y541 HydrophobicContact CB-CD2 4.24Å; P527-Y541 HydrophobicContact CB-CE1 4.29Å; P527-Y541 HydrophobicContact CB-CE2 3.54Å; P527-Y541 HydrophobicContact CG-CD1 4.16Å; P527-Y541 HydrophobicContact CG-CD2 3.49Å; P527-Y541 VanDerWaalsContact CG-CD2 3.49Å; P527-Y541 HydrophobicContact CG-CE1 4Å; P527-Y541 HydrophobicContact CG-CE2 3.32Å; P527-Y541 HydrophobicContact CG-CG 3.92Å
542	Q	80.3	Confident	71.2	Confident	71 Å²	71	74.9 Å²	74.9	33%	0.332	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.6	175.3	-176.2	-179.8	38.1	0	0	110.3	R535 L537 L544	R535-Q542 HydrophobicContact CB-CB 4.41Å; R535-Q542 PolarHBondContact N-O 2.8Å; R535-Q542 PolarHBondContact O-N 2.85Å; L537-Q542 HydrophobicContact CD1-CB 3.94Å; L537-Q542 HydrophobicContact CG-CB 4.27Å; Q542-L544 HydrophobicContact CG-CD2 3.9Å; Q542-L544 HydrophobicContact CG-CG 4.1Å; Q542-L544 PolarHBondContact O-N 3.13Å
543	C	78	Confident	71.9	Confident	42 Å²	42	75.1 Å²	75.1	28%	0.284	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	97.3	173.5	-59.1	0	0	0	0	110.7	C528 Q532	C528-C543 WeakPolarHBondContact CA-SG 3.28Å; C528-C543 HydrophobicContact CB-CB 3.71Å; C528-C543 WeakPolarHBondContact CB-SG 2.77Å; C528-C543 WeakPolarHBondContact SG-CA 3.36Å; C528-C543 WeakPolarHBondContact SG-CB 3.35Å; C528-C543 CovalentContact SG-SG 2.04Å; C528-C543 PolarHBondContact SG-SG 3.47Å; Q532-C543 HydrophobicContact CB-CB 4.28Å
544	L	62.9	Low	72.3	Confident	64 Å²	64	74.8 Å²	74.8	34%	0.335	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.8	178.1	-67.7	175	0	0	0	110.5	Q532 Q533 R535 Q542 E546	Q532-L544 CarbonylContact C-O 3.6Å; Q532-L544 WeakPolarHBondContact CA-O 3.48Å; Q533-L544 PolarHBondContact N-O 3.02Å; Q533-L544 PolarHBondContact O-N 2.74Å; R535-L544 HydrophobicContact CB-CD1 3.98Å; R535-L544 HydrophobicContact CB-CG 4.43Å; Q542-L544 HydrophobicContact CG-CD2 3.9Å; Q542-L544 HydrophobicContact CG-CG 4.1Å; Q542-L544 PolarHBondContact O-N 3.13Å; L544-E546 PolarHBondContact O-N 2.98Å
545	R	56.7	Low	71.9	Confident	124 Å²	124	78 Å²	78	47%	0.468	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	114.6	171.9	-157.3	-173	78.6	169.3	7.4	109	V547 C562	R545-V547 VanDerWaalsContact CZ-O 3.32Å; R545-V547 PolarHBondContact NE-O 3.19Å; R545-V547 PolarHBondContact NH2-O 2.89Å; R545-V547 PolarHBondContact O-N 3.17Å; R545-C562 PolarHBondContact NH2-SG 3.19Å
546	E	52.9	Low	71.4	Confident	92 Å²	92	73.8 Å²	73.8	43%	0.43	39%	0.388	S	S	.	.	S	Bend	trans	-61.2	-16.5	-179.1	-72.8	-164.9	166.1	0	0	114.4	Q533 L544 P548 K795	Q533-E546 HydrophobicContact CB-CG 4.04Å; L544-E546 PolarHBondContact O-N 2.98Å; E546-P548 WeakPolarHBondContact O-CD 3.38Å; E546-K795 IonicContact OE2-NZ 3.51Å; E546-K795 PolarHBondContact OE2-NZ 2.82Å
547	V	53.3	Low	70.5	Confident	87 Å²	87	76.7 Å²	76.7	53%	0.527	41%	0.41	S	S	.	.	S	Bend	trans	-91.5	101.4	-179.5	-173.2	0	0	0	0	107.8	R545	R545-V547 VanDerWaalsContact CZ-O 3.32Å; R545-V547 PolarHBondContact NE-O 3.19Å; R545-V547 PolarHBondContact NH2-O 2.89Å; R545-V547 PolarHBondContact O-N 3.17Å
548	P	57.6	Low	70	Confident	102 Å²	102	84.8 Å²	84.8	66%	0.662	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-55.1	156.3	165	26.3	-35.1	0	0	0	109.1	E546 G550	E546-P548 WeakPolarHBondContact O-CD 3.38Å; P548-G550 PolarHBondContact O-N 2.6Å
549	C	63.5	Low	69.8	Low	27 Å²	27	82.3 Å²	82.3	18%	0.182	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-56.5	128.8	167.8	-62.6	0	0	0	0	108.1	Y553 L555 C562	C549-Y553 WeakPolarHBondContact CB-O 3.06Å; C549-L555 VanDerWaalsContact SG-CA 3.58Å; C549-L555 PolarHBondContact SG-N 2.81Å; C549-C562 WeakPolarHBondContact CA-SG 3.46Å; C549-C562 HydrophobicContact CB-CB 3.73Å; C549-C562 WeakPolarHBondContact CB-SG 3.34Å; C549-C562 WeakPolarHBondContact SG-CA 2.96Å; C549-C562 WeakPolarHBondContact SG-CB 3.48Å; C549-C562 CovalentContact SG-SG 2.04Å; C549-C562 PolarHBondContact SG-SG 3.21Å
550	G	60.1	Low	69.3	Low	40 Å²	40	87.5 Å²	87.5	41%	0.412	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-62.4	170.1	-171.6	0	0	0	0	0	111.6	P548 G552 Y553	P548-G550 PolarHBondContact O-N 2.6Å; G550-G552 PolarHBondContact O-N 3.33Å; G550-Y553 WeakPolarHBondContact O-CB 3.01Å; G550-Y553 PolarHBondContact O-N 3.12Å
551	Y	72	Confident	68.8	Low	225 Å²	225	91.3 Å²	91.3	88%	0.882	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	130.4	170.3	-65.4	-78.8	0	0	0	110	Y553 G586	Y551-Y553 WeakPolarHBondContact O-CD2 3.31Å; Y551-G586 CarbonylContact O-C 3.59Å; Y551-G586 WeakPolarHBondContact O-CA 3.41Å; Y551-G586 VanDerWaalsContact O-O 3.14Å
552	G	75	Confident	68.2	Low	14 Å²	14	88.1 Å²	88.1	14%	0.144	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	11.2	-172.2	0	0	0	0	0	116.7	G550 V565 E567	G550-G552 PolarHBondContact O-N 3.33Å; G552-V565 PolarHBondContact O-N 3Å; G552-E567 WeakPolarHBondContact CA-OE1 3.28Å
553	Y	83.7	Confident	68.3	Low	64 Å²	64	88.6 Å²	88.6	25%	0.251	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.7	175.2	-59.8	-96.8	0	0	0	112.8	C549 G550 Y551 C562 E563 D564 R585	C549-Y553 WeakPolarHBondContact CB-O 3.06Å; G550-Y553 WeakPolarHBondContact O-CB 3.01Å; G550-Y553 PolarHBondContact O-N 3.12Å; Y551-Y553 WeakPolarHBondContact O-CD2 3.31Å; Y553-C562 HydrophobicContact CD1-CB 4.43Å; Y553-E563 CarbonylContact C-O 3.37Å; Y553-E563 VanDerWaalsContact CA-O 3.23Å; Y553-E563 WeakPolarHBondContact CA-O 3.39Å; Y553-D564 HydrophobicContact CD1-CB 4.46Å; Y553-D564 HydrophobicContact CE1-CB 4.45Å; Y553-R585 HydrophobicContact CE1-CG 4.15Å; Y553-R585 WeakPolarHBondContact OH-CD 3.05Å; Y553-R585 VanDerWaalsContact OH-CG 3.24Å; Y553-R585 WeakPolarHBondContact OH-CG 3.45Å
554	V	79.9	Confident	68.6	Low	85 Å²	85	89.4 Å²	89.4	52%	0.515	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.9	172.9	-75.3	0	0	0	0	111.4	N556 C562 E563 V565	V554-N556 PolarHBondContact O-N 2.66Å; V554-C562 CarbonylContact O-C 3.58Å; V554-C562 WeakPolarHBondContact O-CA 3.46Å; V554-E563 PolarHBondContact N-O 3.37Å; V554-E563 PolarHBondContact O-N 3.32Å; V554-V565 HydrophobicContact CB-CG2 4.24Å; V554-V565 HydrophobicContact CG1-CG2 3.66Å; V554-V565 HydrophobicContact CG2-CG2 3.93Å
555	L	70.6	Confident	69.6	Low	90 Å²	90	88 Å²	88	47%	0.471	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	114.7	173.4	-176.1	67	0	0	0	109.3	C549 P557	C549-L555 VanDerWaalsContact SG-CA 3.58Å; C549-L555 PolarHBondContact SG-N 2.81Å; L555-P557 WeakPolarHBondContact O-CD 3.21Å
556	N	71.1	Confident	71	Confident	39 Å²	39	84.3 Å²	84.3	21%	0.209	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	115.8	168.1	174.7	-20.6	0	0	0	108.5	V554 R558 T559 Q560 Q561 E563	V554-N556 PolarHBondContact O-N 2.66Å; N556-R558 PolarHBondContact O-N 3.39Å; N556-R558 WeakPolarHBondContact OD1-CB 3.34Å; N556-R558 PolarHBondContact OD1-N 2.87Å; N556-T559 VanDerWaalsContact CB-OG1 3.31Å; N556-T559 WeakPolarHBondContact CB-OG1 3.43Å; N556-T559 VanDerWaalsContact CG-OG1 3.27Å; N556-T559 PolarHBondContact ND2-OG1 2.9Å; N556-T559 PolarHBondContact O-N 3.28Å; N556-T559 PolarHBondContact OD1-N 3.3Å; N556-Q560 WeakPolarHBondContact O-CA 3.12Å; N556-Q560 PolarHBondContact O-N 3.48Å; N556-Q561 PolarHBondContact N-O 3.32Å; N556-E563 VanDerWaalsContact CB-CD 3.44Å; N556-E563 HydrophobicContact CB-CG 4.22Å; N556-E563 WeakPolarHBondContact CB-OE1 3.29Å; N556-E563 VanDerWaalsContact ND2-CD 3.27Å; N556-E563 PolarHBondContact ND2-OE1 3.26Å; N556-E563 PolarHBondContact ND2-OE2 3.39Å; N556-E563 VanDerWaalsContact ND2-OE2 3.13Å
557	P	60.2	Low	72.6	Confident	106 Å²	106	81.7 Å²	81.7	69%	0.688	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.9	-173	28.5	-35.7	0	0	0	113	L555 Q560	L555-P557 WeakPolarHBondContact O-CD 3.21Å; P557-Q560 PolarHBondContact O-NE2 2.74Å
558	R	71.7	Confident	74.1	Confident	223 Å²	223	78.8 Å²	78.8	84%	0.842	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-32.8	-178.8	-161.6	178.7	-170.8	-177.9	3.3	112.9	N556	N556-R558 PolarHBondContact O-N 3.39Å; N556-R558 WeakPolarHBondContact OD1-CB 3.34Å; N556-R558 PolarHBondContact OD1-N 2.87Å
559	T	75	Confident	75.5	Confident	62 Å²	62	81.5 Å²	81.5	38%	0.38	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-16.5	178.8	61.7	0	0	0	0	113.1	N556 Q561 E563	N556-T559 VanDerWaalsContact CB-OG1 3.31Å; N556-T559 WeakPolarHBondContact CB-OG1 3.43Å; N556-T559 VanDerWaalsContact CG-OG1 3.27Å; N556-T559 PolarHBondContact ND2-OG1 2.9Å; N556-T559 PolarHBondContact O-N 3.28Å; N556-T559 PolarHBondContact OD1-N 3.3Å; T559-Q561 PolarHBondContact O-N 3.28Å; T559-Q561 PolarHBondContact OG1-N 2.03Å; T559-E563 PolarHBondContact OG1-OE1 2.91Å
560	Q	65.5	Low	76.5	Confident	129 Å²	129	85.6 Å²	85.6	60%	0.603	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	21.8	-169	-61.6	-67	-46.5	0	0	113.4	N556 P557	N556-Q560 WeakPolarHBondContact O-CA 3.12Å; N556-Q560 PolarHBondContact O-N 3.48Å; P557-Q560 PolarHBondContact O-NE2 2.74Å
561	Q	69.2	Low	77.5	Confident	129 Å²	129	87.1 Å²	87.1	60%	0.603	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	149.9	177.4	-61.5	-176.9	21.1	0	0	111	N556 T559 E563	N556-Q561 PolarHBondContact N-O 3.32Å; T559-Q561 PolarHBondContact O-N 3.28Å; T559-Q561 PolarHBondContact OG1-N 2.03Å; Q561-E563 PolarHBondContact O-N 3.1Å
562	C	74.1	Confident	77.7	Confident	35 Å²	35	81.1 Å²	81.1	24%	0.236	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	109.1	170.2	-65.8	0	0	0	0	109.3	R545 C549 Y553 V554	R545-C562 PolarHBondContact NH2-SG 3.19Å; C549-C562 WeakPolarHBondContact CA-SG 3.46Å; C549-C562 HydrophobicContact CB-CB 3.73Å; C549-C562 WeakPolarHBondContact CB-SG 3.34Å; C549-C562 WeakPolarHBondContact SG-CA 2.96Å; C549-C562 WeakPolarHBondContact SG-CB 3.48Å; C549-C562 CovalentContact SG-SG 2.04Å; C549-C562 PolarHBondContact SG-SG 3.21Å; Y553-C562 HydrophobicContact CD1-CB 4.43Å; V554-C562 CarbonylContact O-C 3.58Å; V554-C562 WeakPolarHBondContact O-CA 3.46Å
563	E	82.5	Confident	77.8	Confident	81 Å²	81	86 Å²	86	38%	0.379	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	145.4	179.2	-72.3	171.5	-165.2	0	0	110.2	Y553 V554 N556 T559 Q561	Y553-E563 CarbonylContact C-O 3.37Å; Y553-E563 VanDerWaalsContact CA-O 3.23Å; Y553-E563 WeakPolarHBondContact CA-O 3.39Å; V554-E563 PolarHBondContact N-O 3.37Å; V554-E563 PolarHBondContact O-N 3.32Å; N556-E563 VanDerWaalsContact CB-CD 3.44Å; N556-E563 HydrophobicContact CB-CG 4.22Å; N556-E563 WeakPolarHBondContact CB-OE1 3.29Å; N556-E563 VanDerWaalsContact ND2-CD 3.27Å; N556-E563 PolarHBondContact ND2-OE1 3.26Å; N556-E563 PolarHBondContact ND2-OE2 3.39Å; N556-E563 VanDerWaalsContact ND2-OE2 3.13Å; T559-E563 PolarHBondContact OG1-OE1 2.91Å; Q561-E563 PolarHBondContact O-N 3.1Å
564	D	84.2	Confident	77.6	Confident	59 Å²	59	86 Å²	86	32%	0.316	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.5	-174.6	-163.8	63.9	0	0	0	110.4	Y553 D566 N583 R585 G586	Y553-D564 HydrophobicContact CD1-CB 4.46Å; Y553-D564 HydrophobicContact CE1-CB 4.45Å; D564-D566 PolarHBondContact O-N 2.68Å; D564-N583 PolarHBondContact OD2-ND2 3.29Å; D564-R585 VanDerWaalsContact OD1-CA 3.26Å; D564-R585 WeakPolarHBondContact OD1-CA 3.5Å; D564-G586 PolarHBondContact OD1-N 2.91Å
565	V	83.4	Confident	77.6	Confident	35 Å²	35	82.7 Å²	82.7	21%	0.212	43%	0.428	C	S	.	.			trans	-82.5	112.6	178.5	-175.2	0	0	0	0	108.7	G552 V554 E567 V570 N583	G552-V565 PolarHBondContact O-N 3Å; V554-V565 HydrophobicContact CB-CG2 4.24Å; V554-V565 HydrophobicContact CG1-CG2 3.66Å; V554-V565 HydrophobicContact CG2-CG2 3.93Å; V565-E567 HydrophobicContact CB-CG 4.27Å; V565-E567 HydrophobicContact CG1-CG 3.89Å; V565-E567 PolarHBondContact O-N 2.98Å; V565-V570 HydrophobicContact CG1-CG2 4.11Å; V565-N583 PolarHBondContact O-OD1 2.6Å; V565-N583 VanDerWaalsContact O-OD1 3.13Å
566	D	85.5	Confident	77.7	Confident	47 Å²	47	80.3 Å²	80.3	25%	0.251	43%	0.425	S	S	.	.			trans	-74.3	80.7	172.6	-167	-28.7	0	0	0	110.6	D564 C568 K569 V570 N583	D564-D566 PolarHBondContact O-N 2.68Å; D566-C568 PolarHBondContact O-N 3.45Å; D566-C568 WeakPolarHBondContact OD1-CB 3.42Å; D566-C568 PolarHBondContact OD1-N 3.1Å; D566-K569 HydrophobicContact CB-CB 4.34Å; D566-K569 HydrophobicContact CB-CD 4.36Å; D566-K569 HydrophobicContact CB-CG 4.22Å; D566-K569 WeakPolarHBondContact O-CA 3.24Å; D566-K569 WeakPolarHBondContact O-CB 3.37Å; D566-K569 PolarHBondContact O-N 3.26Å; D566-K569 PolarHBondContact OD1-N 3.22Å; D566-K569 IonicContact OD2-NZ 2.59Å; D566-K569 PolarHBondContact OD2-NZ 2.83Å; D566-V570 PolarHBondContact O-N 3.29Å; D566-V570 VanDerWaalsContact O-N 3.17Å; D566-N583 WeakPolarHBondContact CA-OD1 3.3Å
567	E	86.4	Confident	77.7	Confident	36 Å²	36	88.2 Å²	88.2	17%	0.168	46%	0.457	C	S	.	.	H	α-helix	trans	-62.5	-25.1	-176	-68.7	151.1	-174.7	0	0	111.9	G552 V565 K569 V570 D571 I574 G587 H588	G552-E567 WeakPolarHBondContact CA-OE1 3.28Å; V565-E567 HydrophobicContact CB-CG 4.27Å; V565-E567 HydrophobicContact CG1-CG 3.89Å; V565-E567 PolarHBondContact O-N 2.98Å; E567-K569 VanDerWaalsContact C-N 3.27Å; E567-K569 PolarHBondContact O-N 2.85Å; E567-V570 PolarHBondContact O-N 2.84Å; E567-V570 VanDerWaalsContact O-N 3.13Å; E567-D571 PolarHBondContact O-N 2.88Å; E567-I574 HydrophobicContact CB-CD1 4.37Å; E567-G587 WeakPolarHBondContact OE2-CA 3.38Å; E567-H588 HydrophobicContact CB-CB 4.22Å; E567-H588 IonicContact OE2-CE1 2.68Å; E567-H588 IonicContact OE2-CG 2.64Å; E567-H588 PolarHBondContact OE2-N 3.14Å; E567-H588 IonicContact OE2-ND1 3.79Å; E567-H588 PolarHBondContact OE2-ND1 3.35Å
568	C	85.5	Confident	78	Confident	27 Å²	27	85 Å²	85	18%	0.182	44%	0.443	C	S	.	.	H	α-helix	trans	-70.9	-19.7	172.8	-54.6	0	0	0	0	113.5	D566 C581 I582 N583	D566-C568 PolarHBondContact O-N 3.45Å; D566-C568 WeakPolarHBondContact OD1-CB 3.42Å; D566-C568 PolarHBondContact OD1-N 3.1Å; C568-C581 WeakPolarHBondContact CA-SG 3.49Å; C568-C581 HydrophobicContact CB-CB 3.71Å; C568-C581 WeakPolarHBondContact CB-SG 3.03Å; C568-C581 WeakPolarHBondContact SG-CB 3.46Å; C568-C581 CovalentContact SG-SG 2.03Å; C568-C581 PolarHBondContact SG-SG 2.81Å; C568-I582 PolarHBondContact SG-N 3.32Å; C568-N583 PolarHBondContact SG-N 3.41Å
569	K	86.1	Confident	78.2	Confident	159 Å²	159	78.7 Å²	78.7	69%	0.691	42%	0.424	S	S	*	.	H	α-helix	trans	-84.7	-32.4	164	-69.1	-170.6	-174.7	82.6	0	112.7	D566 E567	D566-K569 HydrophobicContact CB-CB 4.34Å; D566-K569 HydrophobicContact CB-CD 4.36Å; D566-K569 HydrophobicContact CB-CG 4.22Å; D566-K569 WeakPolarHBondContact O-CA 3.24Å; D566-K569 WeakPolarHBondContact O-CB 3.37Å; D566-K569 PolarHBondContact O-N 3.26Å; D566-K569 PolarHBondContact OD1-N 3.22Å; D566-K569 IonicContact OD2-NZ 2.59Å; D566-K569 PolarHBondContact OD2-NZ 2.83Å; E567-K569 VanDerWaalsContact C-N 3.27Å; E567-K569 PolarHBondContact O-N 2.85Å
570	V	83.9	Confident	78.1	Confident	113 Å²	113	77.3 Å²	77.3	69%	0.685	42%	0.419	S	S	*	.	H	α-helix	trans	-70.9	-45.9	-177.7	179.1	0	0	0	0	111.5	V565 D566 E567	V565-V570 HydrophobicContact CG1-CG2 4.11Å; D566-V570 PolarHBondContact O-N 3.29Å; D566-V570 VanDerWaalsContact O-N 3.17Å; E567-V570 PolarHBondContact O-N 2.84Å; E567-V570 VanDerWaalsContact O-N 3.13Å
571	D	81.9	Confident	78.9	Confident	72 Å²	72	72.8 Å²	72.8	39%	0.385	40%	0.402	S	S	.	.			trans	-136	100.1	171	177	13.2	0	0	0	111.2	E567 L573 I574	E567-D571 PolarHBondContact O-N 2.88Å; D571-L573 PolarHBondContact O-N 2.8Å; D571-L573 WeakPolarHBondContact OD1-CA 3.45Å; D571-L573 PolarHBondContact OD1-N 3.4Å; D571-I574 HydrophobicContact CB-CB 4Å; D571-I574 VanDerWaalsContact O-CB 3.3Å; D571-I574 WeakPolarHBondContact O-CB 3.33Å; D571-I574 VanDerWaalsContact O-CG2 3.31Å; D571-I574 WeakPolarHBondContact O-CG2 3.3Å; D571-I574 PolarHBondContact O-N 2.81Å; D571-I574 VanDerWaalsContact O-N 3.08Å; D571-I574 PolarHBondContact OD1-N 3.44Å; D571-I574 WeakPolarHBondContact OD2-CA 3.49Å; D571-I574 PolarHBondContact OD2-N 3.36Å
572	P	75.7	Confident	79.5	Confident	99 Å²	99	70.6 Å²	70.6	64%	0.643	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-10.7	175.3	-25.3	35.9	0	0	0	115.3
573	L	76.8	Confident	79.9	Confident	115 Å²	115	71.1 Å²	71.1	60%	0.602	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	7.5	175.9	-86	85	0	0	0	113.6	D571 C575 G576	D571-L573 PolarHBondContact O-N 2.8Å; D571-L573 WeakPolarHBondContact OD1-CA 3.45Å; D571-L573 PolarHBondContact OD1-N 3.4Å; L573-C575 PolarHBondContact O-N 2.93Å; L573-G576 WeakPolarHBondContact O-CA 3.43Å; L573-G576 PolarHBondContact O-N 2.86Å
574	I	81.4	Confident	80	Confident	64 Å²	64	70.2 Å²	70.2	33%	0.328	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-31	-174.2	-162.7	163.2	0	0	0	114.1	E567 D571 C581 H588	E567-I574 HydrophobicContact CB-CD1 4.37Å; D571-I574 HydrophobicContact CB-CB 4Å; D571-I574 VanDerWaalsContact O-CB 3.3Å; D571-I574 WeakPolarHBondContact O-CB 3.33Å; D571-I574 VanDerWaalsContact O-CG2 3.31Å; D571-I574 WeakPolarHBondContact O-CG2 3.3Å; D571-I574 PolarHBondContact O-N 2.81Å; D571-I574 VanDerWaalsContact O-N 3.08Å; D571-I574 PolarHBondContact OD1-N 3.44Å; D571-I574 WeakPolarHBondContact OD2-CA 3.49Å; D571-I574 PolarHBondContact OD2-N 3.36Å; I574-C581 HydrophobicContact CG2-CB 4.18Å; I574-C581 VanDerWaalsContact CG2-SG 3.55Å; I574-H588 WeakPolarHBondContact CD1-CE1 3.17Å
575	C	79.9	Confident	79.9	Confident	17 Å²	17	77.4 Å²	77.4	12%	0.115	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-4.5	177.8	-64.9	0	0	0	0	114.9	L573 M579 C590	L573-C575 PolarHBondContact O-N 2.93Å; C575-M579 HydrophobicContact CB-CB 3.66Å; C575-M579 WeakPolarHBondContact O-CB 3.38Å; C575-C590 WeakPolarHBondContact CA-SG 3.08Å; C575-C590 HydrophobicContact CB-CB 3.61Å; C575-C590 WeakPolarHBondContact CB-SG 3.04Å; C575-C590 WeakPolarHBondContact SG-CA 3.43Å; C575-C590 WeakPolarHBondContact SG-CB 3.38Å; C575-C590 CovalentContact SG-SG 2.04Å; C575-C590 PolarHBondContact SG-SG 2.88Å
576	G	72.2	Confident	79.5	Confident	39 Å²	39	77 Å²	77	40%	0.402	42%	0.418	S	S	.	.			trans	79.4	168.1	-176.9	0	0	0	0	0	114.7	L573 G578 M579	L573-G576 WeakPolarHBondContact O-CA 3.43Å; L573-G576 PolarHBondContact O-N 2.86Å; G576-G578 PolarHBondContact O-N 3.21Å; G576-M579 PolarHBondContact O-N 2.95Å
577	K	70.8	Confident	79.4	Confident	206 Å²	206	75.3 Å²	75.3	90%	0.896	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	118.8	179.3	-71.8	-175.2	178.6	179.7	0	110.5
578	G	66.8	Low	79.3	Confident	37 Å²	37	76.7 Å²	76.7	38%	0.381	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	100	4.3	179.8	0	0	0	0	0	114.6	G576 Y593	G576-G578 PolarHBondContact O-N 3.21Å; G578-Y593 WeakPolarHBondContact O-CB 3.44Å; G578-Y593 WeakPolarHBondContact O-CD2 3.26Å; G578-Y593 PolarHBondContact O-N 3.46Å
579	M	75	Confident	79.1	Confident	91 Å²	91	81.3 Å²	81.3	45%	0.448	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.4	167.5	-59.6	-161	-175.3	0	0	111.1	C575 G576 C590 V591 Y593	C575-M579 HydrophobicContact CB-CB 3.66Å; C575-M579 WeakPolarHBondContact O-CB 3.38Å; G576-M579 PolarHBondContact O-N 2.95Å; M579-C590 HydrophobicContact SD-CB 4.2Å; M579-V591 CarbonylContact C-O 3.48Å; M579-V591 WeakPolarHBondContact CA-O 3.39Å; M579-V591 WeakPolarHBondContact CB-O 3.1Å; M579-Y593 VanDerWaalsContact C-CE2 3.47Å; M579-Y593 WeakPolarHBondContact O-CE2 3.09Å
580	A	74.1	Confident	78.9	Confident	34 Å²	34	76.1 Å²	76.1	28%	0.281	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.8	174.7	0	0	0	0	0	110.2	V591 Y593	A580-V591 HydrophobicContact CB-CG2 4.16Å; A580-V591 PolarHBondContact N-O 2.78Å; A580-V591 PolarHBondContact O-N 3.19Å; A580-Y593 HydrophobicContact CB-CD2 4.27Å; A580-Y593 HydrophobicContact CB-CE2 4.1Å
581	C	82.1	Confident	78.1	Confident	34 Å²	34	71.7 Å²	71.7	23%	0.23	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.8	176.1	-170.1	0	0	0	0	110.3	C568 I574	C568-C581 WeakPolarHBondContact CA-SG 3.49Å; C568-C581 HydrophobicContact CB-CB 3.71Å; C568-C581 WeakPolarHBondContact CB-SG 3.03Å; C568-C581 WeakPolarHBondContact SG-CB 3.46Å; C568-C581 CovalentContact SG-SG 2.03Å; C568-C581 PolarHBondContact SG-SG 2.81Å; I574-C581 HydrophobicContact CG2-CB 4.18Å; I574-C581 VanDerWaalsContact CG2-SG 3.55Å
582	I	82.3	Confident	77	Confident	82 Å²	82	71.6 Å²	71.6	42%	0.421	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.6	169.5	-57.5	176.9	0	0	0	107.7	C568 K589 V591	C568-I582 PolarHBondContact SG-N 3.32Å; I582-K589 PolarHBondContact N-O 3.03Å; I582-K589 PolarHBondContact O-N 2.83Å; I582-V591 HydrophobicContact CD1-CG1 3.89Å; I582-V591 HydrophobicContact CD1-CG2 3.8Å; I582-V591 HydrophobicContact CG1-CG2 4.21Å
583	N	82.6	Confident	76.1	Confident	46 Å²	46	73 Å²	73	25%	0.246	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135.9	175.4	-166.5	60.1	0	0	0	110.6	D564 V565 D566 C568 G587	D564-N583 PolarHBondContact OD2-ND2 3.29Å; V565-N583 PolarHBondContact O-OD1 2.6Å; V565-N583 VanDerWaalsContact O-OD1 3.13Å; D566-N583 WeakPolarHBondContact CA-OD1 3.3Å; C568-N583 PolarHBondContact SG-N 3.41Å; N583-G587 PolarHBondContact OD1-O 2.84Å
584	V	84.2	Confident	75.2	Confident	62 Å²	62	74.3 Å²	74.3	38%	0.376	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	161.7	177.4	-63.1	0	0	0	0	109.5	G586 G587 K589	V584-G586 PolarHBondContact O-N 2.92Å; V584-G587 CarbonylContact C-O 3.52Å; V584-G587 WeakPolarHBondContact CA-O 3.47Å; V584-G587 WeakPolarHBondContact CG2-O 3.38Å; V584-G587 PolarHBondContact N-O 3.09Å; V584-G587 PolarHBondContact O-N 2.89Å; V584-K589 HydrophobicContact CG1-CB 4.14Å
585	R	81.8	Confident	74.1	Confident	211 Å²	211	72 Å²	72	80%	0.796	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	107.9	-171.3	-140.4	-162.3	175.9	165.8	-1.9	111.2	Y553 D564	Y553-R585 HydrophobicContact CE1-CG 4.15Å; Y553-R585 WeakPolarHBondContact OH-CD 3.05Å; Y553-R585 VanDerWaalsContact OH-CG 3.24Å; Y553-R585 WeakPolarHBondContact OH-CG 3.45Å; D564-R585 VanDerWaalsContact OD1-CA 3.26Å; D564-R585 WeakPolarHBondContact OD1-CA 3.5Å
586	G	75.7	Confident	72.8	Confident	25 Å²	25	75.4 Å²	75.4	26%	0.258	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	28.9	-171.6	0	0	0	0	0	115.5	Y551 D564 V584	Y551-G586 CarbonylContact O-C 3.59Å; Y551-G586 WeakPolarHBondContact O-CA 3.41Å; Y551-G586 VanDerWaalsContact O-O 3.14Å; D564-G586 PolarHBondContact OD1-N 2.91Å; V584-G586 PolarHBondContact O-N 2.92Å
587	G	82.5	Confident	72.2	Confident	12 Å²	12	76.6 Å²	76.6	12%	0.124	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-168.3	166.3	0	0	0	0	0	114.4	E567 N583 V584	E567-G587 WeakPolarHBondContact OE2-CA 3.38Å; N583-G587 PolarHBondContact OD1-O 2.84Å; V584-G587 CarbonylContact C-O 3.52Å; V584-G587 WeakPolarHBondContact CA-O 3.47Å; V584-G587 WeakPolarHBondContact CG2-O 3.38Å; V584-G587 PolarHBondContact N-O 3.09Å; V584-G587 PolarHBondContact O-N 2.89Å
588	H	85.1	Confident	71.6	Confident	65 Å²	65	70.6 Å²	70.6	30%	0.301	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.9	174.2	62	-77.1	0	0	0	112.7	E567 I574	E567-H588 HydrophobicContact CB-CB 4.22Å; E567-H588 IonicContact OE2-CE1 2.68Å; E567-H588 IonicContact OE2-CG 2.64Å; E567-H588 PolarHBondContact OE2-N 3.14Å; E567-H588 IonicContact OE2-ND1 3.79Å; E567-H588 PolarHBondContact OE2-ND1 3.35Å; I574-H588 WeakPolarHBondContact CD1-CE1 3.17Å
589	K	80.5	Confident	71.3	Confident	125 Å²	125	69.3 Å²	69.3	54%	0.543	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.5	171	-176.7	175.9	-178.5	173.8	0	109.9	I582 V584 V591	I582-K589 PolarHBondContact N-O 3.03Å; I582-K589 PolarHBondContact O-N 2.83Å; V584-K589 HydrophobicContact CG1-CB 4.14Å; K589-V591 HydrophobicContact CD-CG1 4.39Å; K589-V591 HydrophobicContact CG-CG1 4.22Å; K589-V591 PolarHBondContact O-N 3.17Å
590	C	81	Confident	70.8	Confident	50 Å²	50	69 Å²	69	34%	0.338	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.6	166.1	-58.7	0	0	0	0	110.3	C575 M579	C575-C590 WeakPolarHBondContact CA-SG 3.08Å; C575-C590 HydrophobicContact CB-CB 3.61Å; C575-C590 WeakPolarHBondContact CB-SG 3.04Å; C575-C590 WeakPolarHBondContact SG-CA 3.43Å; C575-C590 WeakPolarHBondContact SG-CB 3.38Å; C575-C590 CovalentContact SG-SG 2.04Å; C575-C590 PolarHBondContact SG-SG 2.88Å; M579-C590 HydrophobicContact SD-CB 4.2Å
591	V	66.9	Low	70.2	Confident	20 Å²	20	72.4 Å²	72.4	12%	0.121	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.2	167.4	-61.6	0	0	0	0	108.7	M579 A580 I582 K589 P596	M579-V591 CarbonylContact C-O 3.48Å; M579-V591 WeakPolarHBondContact CA-O 3.39Å; M579-V591 WeakPolarHBondContact CB-O 3.1Å; A580-V591 HydrophobicContact CB-CG2 4.16Å; A580-V591 PolarHBondContact N-O 2.78Å; A580-V591 PolarHBondContact O-N 3.19Å; I582-V591 HydrophobicContact CD1-CG1 3.89Å; I582-V591 HydrophobicContact CD1-CG2 3.8Å; I582-V591 HydrophobicContact CG1-CG2 4.21Å; K589-V591 HydrophobicContact CD-CG1 4.39Å; K589-V591 HydrophobicContact CG-CG1 4.22Å; K589-V591 PolarHBondContact O-N 3.17Å; V591-P596 HydrophobicContact CG1-CG 4.4Å
592	D	59.3	Low	69.4	Low	69 Å²	69	73.2 Å²	73.2	37%	0.369	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	153	175.2	-167.7	-27.4	0	0	0	110.4	H594	D592-H594 CarbonylContact C-O 3.52Å; D592-H594 HydrophobicContact CB-CB 4.1Å; D592-H594 CarbonylContact O-C 3.59Å; D592-H594 PolarHBondContact O-N 3.19Å; D592-H594 VanDerWaalsContact O-O 3.06Å; D592-H594 IonicContact OD1-CE1 2.75Å; D592-H594 IonicContact OD1-CG 3.84Å; D592-H594 PolarHBondContact OD1-N 3.06Å; D592-H594 IonicContact OD1-ND1 2.62Å; D592-H594 PolarHBondContact OD1-ND1 2.87Å; D592-H594 IonicContact OD2-CG 3.33Å; D592-H594 IonicContact OD2-ND1 2.64Å; D592-H594 PolarHBondContact OD2-ND1 3.25Å; D592-H594 VanDerWaalsContact OD2-ND1 3.09Å
593	Y	57.5	Low	68.7	Low	128 Å²	128	79.9 Å²	79.9	50%	0.502	40%	0.404	S	S	.	.	S	Bend	trans	-61.5	-20.5	163.9	-91.3	-126.2	0	0	0	111.4	G578 M579 A580 C595 R601	G578-Y593 WeakPolarHBondContact O-CB 3.44Å; G578-Y593 WeakPolarHBondContact O-CD2 3.26Å; G578-Y593 PolarHBondContact O-N 3.46Å; M579-Y593 VanDerWaalsContact C-CE2 3.47Å; M579-Y593 WeakPolarHBondContact O-CE2 3.09Å; A580-Y593 HydrophobicContact CB-CD2 4.27Å; A580-Y593 HydrophobicContact CB-CE2 4.1Å; Y593-C595 PolarHBondContact O-N 3.42Å; Y593-R601 PolarHBondContact O-NE 2.96Å; Y593-R601 PolarHBondContact O-NH2 3.15Å
594	H	58.4	Low	68	Low	144 Å²	144	83.4 Å²	83.4	67%	0.667	43%	0.427	S	S	*	.	S	Bend	trans	-68.8	115.1	157.1	-57.1	89.6	0	0	0	110	D592	D592-H594 CarbonylContact C-O 3.52Å; D592-H594 HydrophobicContact CB-CB 4.1Å; D592-H594 CarbonylContact O-C 3.59Å; D592-H594 PolarHBondContact O-N 3.19Å; D592-H594 VanDerWaalsContact O-O 3.06Å; D592-H594 IonicContact OD1-CE1 2.75Å; D592-H594 IonicContact OD1-CG 3.84Å; D592-H594 PolarHBondContact OD1-N 3.06Å; D592-H594 IonicContact OD1-ND1 2.62Å; D592-H594 PolarHBondContact OD1-ND1 2.87Å; D592-H594 IonicContact OD2-CG 3.33Å; D592-H594 IonicContact OD2-ND1 2.64Å; D592-H594 PolarHBondContact OD2-ND1 3.25Å; D592-H594 VanDerWaalsContact OD2-ND1 3.09Å
595	C	56.8	Low	66.7	Low	15 Å²	15	81.7 Å²	81.7	10%	0.101	42%	0.422	C	S	.	.			trans	-58.8	129.9	-174.2	-60.2	0	0	0	0	111.9	Y593 G597 A599 C607	Y593-C595 PolarHBondContact O-N 3.42Å; C595-G597 PolarHBondContact O-N 3.23Å; C595-A599 HydrophobicContact CB-CB 3.47Å; C595-A599 VanDerWaalsContact CB-CB 3.47Å; C595-C607 WeakPolarHBondContact CA-SG 3.37Å; C595-C607 HydrophobicContact CB-CB 3.47Å; C595-C607 VanDerWaalsContact CB-CB 3.47Å; C595-C607 WeakPolarHBondContact CB-SG 3.19Å; C595-C607 WeakPolarHBondContact SG-CA 3.24Å; C595-C607 WeakPolarHBondContact SG-CB 3.41Å; C595-C607 CovalentContact SG-SG 2.03Å; C595-C607 PolarHBondContact SG-SG 2.8Å
596	P	54	Low	65.7	Low	89 Å²	89	75.9 Å²	75.9	58%	0.578	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	123.9	-170.9	24	-33.6	0	0	0	112.4	V591	V591-P596 HydrophobicContact CG1-CG 4.4Å
597	G	59.4	Low	65.3	Low	63 Å²	63	77.4 Å²	77.4	65%	0.649	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-146.1	-179.6	0	0	0	0	0	113.3	C595 A599	C595-G597 PolarHBondContact O-N 3.23Å; G597-A599 PolarHBondContact O-N 3.42Å
598	N	56.7	Low	64.6	Low	81 Å²	81	79.3 Å²	79.3	43%	0.433	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	48.3	-174.2	-59.9	5.5	0	0	0	112.3	C610	N598-C610 WeakPolarHBondContact O-CB 3.4Å; N598-C610 PolarHBondContact O-N 2.84Å; N598-C610 PolarHBondContact O-SG 2.84Å; N598-C610 VanDerWaalsContact O-SG 3.4Å
599	A	62.1	Low	63.9	Low	10 Å²	10	80.9 Å²	80.9	8%	0.083	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144	-169.7	0	0	0	0	0	113	C595 G597 V608	C595-A599 HydrophobicContact CB-CB 3.47Å; C595-A599 VanDerWaalsContact CB-CB 3.47Å; G597-A599 PolarHBondContact O-N 3.42Å; A599-V608 WeakPolarHBondContact CA-O 3.3Å
600	K	63.5	Low	63.6	Low	83 Å²	83	75.5 Å²	75.5	36%	0.361	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.1	176.3	67	-174.1	172.3	-165	0	110.1	V608 Y616	K600-V608 HydrophobicContact CG-CG2 3.92Å; K600-V608 PolarHBondContact N-O 2.82Å; K600-V608 VanDerWaalsContact O-CG2 3.29Å; K600-V608 WeakPolarHBondContact O-CG2 3.47Å; K600-V608 PolarHBondContact O-N 3.45Å; K600-V608 VanDerWaalsContact O-O 3.07Å; K600-Y616 HydrophobicContact CB-CD2 4.03Å; K600-Y616 HydrophobicContact CB-CE2 3.79Å
601	R	61.6	Low	63.4	Low	107 Å²	107	76.6 Å²	76.6	40%	0.404	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.7	172.6	-162.3	171.7	-78.3	-110.5	10.2	110	Y593 G605 D606	Y593-R601 PolarHBondContact O-NE 2.96Å; Y593-R601 PolarHBondContact O-NH2 3.15Å; R601-G605 VanDerWaalsContact CG-O 3.32Å; R601-G605 WeakPolarHBondContact CG-O 3.47Å; R601-G605 PolarHBondContact NH1-O 2.69Å; R601-D606 CarbonylContact C-O 3.59Å; R601-D606 WeakPolarHBondContact CA-O 3.35Å
602	N	66.7	Low	63.9	Low	51 Å²	51	82.2 Å²	82.2	27%	0.273	46%	0.457	S	S	.	.			trans	-80.7	179.4	175	77.4	11.1	0	0	0	111.3	V604 G605 D606 V608	N602-V604 PolarHBondContact O-N 3.3Å; N602-V604 WeakPolarHBondContact OD1-CA 3.49Å; N602-V604 WeakPolarHBondContact OD1-CB 3.38Å; N602-V604 PolarHBondContact OD1-N 2.79Å; N602-G605 PolarHBondContact O-N 2.76Å; N602-G605 PolarHBondContact OD1-N 3.5Å; N602-D606 PolarHBondContact N-O 3.13Å; N602-D606 WeakPolarHBondContact ND2-CB 3.34Å; N602-D606 PolarHBondContact ND2-OD2 2.83Å; N602-D606 PolarHBondContact OD1-N 2.86Å; N602-D606 PolarHBondContact OD1-OD2 2.96Å; N602-V608 HydrophobicContact CB-CG2 4.03Å
603	K	66.3	Low	64.8	Low	221 Å²	221	79.2 Å²	79.2	96%	0.961	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-13	178.5	-69.9	-170.4	177.2	-175	0	115.1
604	V	67.1	Low	66	Low	121 Å²	121	76.1 Å²	76.1	73%	0.733	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-21	179.6	-167.2	0	0	0	0	110.9	N602	N602-V604 PolarHBondContact O-N 3.3Å; N602-V604 WeakPolarHBondContact OD1-CA 3.49Å; N602-V604 WeakPolarHBondContact OD1-CB 3.38Å; N602-V604 PolarHBondContact OD1-N 2.79Å
605	G	57.9	Low	66.9	Low	26 Å²	26	71.8 Å²	71.8	27%	0.268	41%	0.413	S	S	.	.	S	Bend	trans	111.9	-7.5	-176.9	0	0	0	0	0	113.5	R601 N602	R601-G605 VanDerWaalsContact CG-O 3.32Å; R601-G605 WeakPolarHBondContact CG-O 3.47Å; R601-G605 PolarHBondContact NH1-O 2.69Å; N602-G605 PolarHBondContact O-N 2.76Å; N602-G605 PolarHBondContact OD1-N 3.5Å
606	D	61.8	Low	67.8	Low	89 Å²	89	74.5 Å²	74.5	48%	0.476	42%	0.422	S	S	.	.			trans	-74.1	144.2	-177.8	-39.9	-58.7	0	0	0	111.7	R601 N602 V608	R601-D606 CarbonylContact C-O 3.59Å; R601-D606 WeakPolarHBondContact CA-O 3.35Å; N602-D606 PolarHBondContact N-O 3.13Å; N602-D606 WeakPolarHBondContact ND2-CB 3.34Å; N602-D606 PolarHBondContact ND2-OD2 2.83Å; N602-D606 PolarHBondContact OD1-N 2.86Å; N602-D606 PolarHBondContact OD1-OD2 2.96Å; D606-V608 PolarHBondContact O-N 2.91Å
607	C	66.4	Low	68.6	Low	56 Å²	56	72.7 Å²	72.7	38%	0.378	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	98.3	171.4	-76.1	0	0	0	0	110.9	C595	C595-C607 WeakPolarHBondContact CA-SG 3.37Å; C595-C607 HydrophobicContact CB-CB 3.47Å; C595-C607 VanDerWaalsContact CB-CB 3.47Å; C595-C607 WeakPolarHBondContact CB-SG 3.19Å; C595-C607 WeakPolarHBondContact SG-CA 3.24Å; C595-C607 WeakPolarHBondContact SG-CB 3.41Å; C595-C607 CovalentContact SG-SG 2.03Å; C595-C607 PolarHBondContact SG-SG 2.8Å
608	V	68.1	Low	69	Low	53 Å²	53	75.5 Å²	75.5	32%	0.321	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.3	174.6	-75.3	0	0	0	0	110	A599 K600 N602 D606	A599-V608 WeakPolarHBondContact CA-O 3.3Å; K600-V608 HydrophobicContact CG-CG2 3.92Å; K600-V608 PolarHBondContact N-O 2.82Å; K600-V608 VanDerWaalsContact O-CG2 3.29Å; K600-V608 WeakPolarHBondContact O-CG2 3.47Å; K600-V608 PolarHBondContact O-N 3.45Å; K600-V608 VanDerWaalsContact O-O 3.07Å; N602-V608 HydrophobicContact CB-CG2 4.03Å; D606-V608 PolarHBondContact O-N 2.91Å
609	P	70	Confident	69.8	Low	98 Å²	98	77 Å²	77	64%	0.636	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	151	171	26.2	-33.6	0	0	0	110.5
610	C	74.6	Confident	70.3	Confident	11 Å²	11	78.9 Å²	78.9	7%	0.074	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-56.3	148.3	160.4	-71.2	0	0	0	0	109.3	N598 C623	N598-C610 WeakPolarHBondContact O-CB 3.4Å; N598-C610 PolarHBondContact O-N 2.84Å; N598-C610 PolarHBondContact O-SG 2.84Å; N598-C610 VanDerWaalsContact O-SG 3.4Å; C610-C623 WeakPolarHBondContact CA-SG 3.5Å; C610-C623 HydrophobicContact CB-CB 3.74Å; C610-C623 WeakPolarHBondContact CB-SG 3.22Å; C610-C623 WeakPolarHBondContact SG-CB 3.46Å; C610-C623 CovalentContact SG-SG 2.04Å; C610-C623 PolarHBondContact SG-SG 2.97Å
611	P	76.9	Confident	70.5	Confident	74 Å²	74	77 Å²	77	48%	0.481	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-56.3	153.1	176.4	-21.1	32.5	0	0	0	111	G613 Y614	P611-G613 PolarHBondContact O-N 2.71Å; P611-Y614 HydrophobicContact CB-CD2 3.91Å; P611-Y614 HydrophobicContact CB-CE2 4.4Å; P611-Y614 HydrophobicContact CG-CD2 4.33Å; P611-Y614 WeakPolarHBondContact O-CB 3.34Å; P611-Y614 PolarHBondContact O-N 3.05Å
612	T	76.6	Confident	71.2	Confident	137 Å²	137	77 Å²	77	84%	0.84	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	134.7	170.3	-46	0	0	0	0	109.9
613	G	77.9	Confident	71.8	Confident	6 Å²	6	75.3 Å²	75.3	6%	0.062	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	0.2	-171.9	0	0	0	0	0	115.5	P611 I626	P611-G613 PolarHBondContact O-N 2.71Å; G613-I626 WeakPolarHBondContact O-CB 3.37Å; G613-I626 WeakPolarHBondContact O-CG1 3.3Å; G613-I626 PolarHBondContact O-N 2.93Å
614	Y	83.6	Confident	72.6	Confident	63 Å²	63	67.3 Å²	67.3	25%	0.247	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.2	178.8	-62.6	-101.2	0	0	0	113.2	P611 C623 D624 R645	P611-Y614 HydrophobicContact CB-CD2 3.91Å; P611-Y614 HydrophobicContact CB-CE2 4.4Å; P611-Y614 HydrophobicContact CG-CD2 4.33Å; P611-Y614 WeakPolarHBondContact O-CB 3.34Å; P611-Y614 PolarHBondContact O-N 3.05Å; Y614-C623 HydrophobicContact CD1-CB 4.45Å; Y614-D624 CarbonylContact C-O 3.46Å; Y614-D624 VanDerWaalsContact CA-O 3.24Å; Y614-D624 WeakPolarHBondContact CA-O 3.28Å; Y614-D624 WeakPolarHBondContact CB-O 3.35Å; Y614-R645 PolarHBondContact OH-O 3.46Å
615	V	77.4	Confident	73.4	Confident	53 Å²	53	64.5 Å²	64.5	32%	0.321	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.4	176.8	59	0	0	0	0	110.4	N617 C623 D624 I626	V615-N617 PolarHBondContact O-N 3.3Å; V615-C623 CarbonylContact O-C 3.51Å; V615-C623 WeakPolarHBondContact O-CA 3.22Å; V615-D624 PolarHBondContact N-O 2.04Å; V615-D624 PolarHBondContact O-N 2.78Å; V615-I626 HydrophobicContact CB-CD1 4.21Å; V615-I626 HydrophobicContact CB-CG1 3.88Å; V615-I626 HydrophobicContact CG1-CG1 3.94Å
616	Y	74.3	Confident	74.5	Confident	72 Å²	72	65.1 Å²	65.1	28%	0.282	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	114.3	176.9	-171.8	-114.5	0	0	0	110.5	K600 T618 G621	K600-Y616 HydrophobicContact CB-CD2 4.03Å; K600-Y616 HydrophobicContact CB-CE2 3.79Å; Y616-T618 HydrophobicContact CD1-CG2 4.27Å; Y616-T618 HydrophobicContact CE1-CG2 4.29Å; Y616-G621 WeakPolarHBondContact CE2-O 3.48Å
617	N	71.9	Confident	75.6	Confident	52 Å²	52	64 Å²	64	28%	0.278	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	109.9	176.3	176.9	-4.9	0	0	0	109.6	V615 S619 S620 G621 I622 D624	V615-N617 PolarHBondContact O-N 3.3Å; N617-S619 PolarHBondContact O-N 3.11Å; N617-S619 WeakPolarHBondContact OD1-CA 3.22Å; N617-S619 VanDerWaalsContact OD1-CB 3.3Å; N617-S619 WeakPolarHBondContact OD1-CB 3.33Å; N617-S619 PolarHBondContact OD1-N 2.57Å; N617-S620 WeakPolarHBondContact CB-OG 3.47Å; N617-S620 PolarHBondContact O-N 3.43Å; N617-S620 PolarHBondContact O-OG 3.36Å; N617-S620 PolarHBondContact OD1-N 3.01Å; N617-G621 PolarHBondContact O-N 3.14Å; N617-I622 PolarHBondContact N-O 3.05Å; N617-D624 HydrophobicContact CB-CB 4.33Å; N617-D624 WeakPolarHBondContact CB-OD2 3.23Å; N617-D624 PolarHBondContact ND2-OD2 3.2Å
618	T	66.7	Low	76.5	Confident	121 Å²	121	62.5 Å²	62.5	74%	0.742	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.1	179.4	50.9	0	0	0	0	113.9	Y616	Y616-T618 HydrophobicContact CD1-CG2 4.27Å; Y616-T618 HydrophobicContact CE1-CG2 4.29Å
619	S	73.5	Confident	77.4	Confident	113 Å²	113	61.9 Å²	61.9	79%	0.79	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-30.3	177.4	-54	0	0	0	0	113.2	N617	N617-S619 PolarHBondContact O-N 3.11Å; N617-S619 WeakPolarHBondContact OD1-CA 3.22Å; N617-S619 VanDerWaalsContact OD1-CB 3.3Å; N617-S619 WeakPolarHBondContact OD1-CB 3.33Å; N617-S619 PolarHBondContact OD1-N 2.57Å
620	S	73.2	Confident	78	Confident	50 Å²	50	64.3 Å²	64.3	35%	0.35	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-22.8	175	73.6	0	0	0	0	112.8	N617 I622 D624	N617-S620 WeakPolarHBondContact CB-OG 3.47Å; N617-S620 PolarHBondContact O-N 3.43Å; N617-S620 PolarHBondContact O-OG 3.36Å; N617-S620 PolarHBondContact OD1-N 3.01Å; S620-I622 PolarHBondContact O-N 2.04Å; S620-I622 PolarHBondContact OG-N 2.91Å; S620-I622 VanDerWaalsContact OG-N 3.15Å; S620-D624 PolarHBondContact OG-OD1 2.56Å
621	G	67.9	Low	78.2	Confident	42 Å²	42	68.3 Å²	68.3	43%	0.433	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	9.4	-171.3	0	0	0	0	0	113.6	Y616 N617	Y616-G621 WeakPolarHBondContact CE2-O 3.48Å; N617-G621 PolarHBondContact O-N 3.14Å
622	I	76.6	Confident	78.1	Confident	107 Å²	107	70.1 Å²	70.1	55%	0.549	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	160.9	-170.3	-63.3	167.8	0	0	0	109.7	N617 S620 D624	N617-I622 PolarHBondContact N-O 3.05Å; S620-I622 PolarHBondContact O-N 2.04Å; S620-I622 PolarHBondContact OG-N 2.91Å; S620-I622 VanDerWaalsContact OG-N 3.15Å; I622-D624 PolarHBondContact O-N 2.99Å
623	C	79.1	Confident	77.9	Confident	16 Å²	16	71.2 Å²	71.2	11%	0.108	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	105.7	166.4	-63.9	0	0	0	0	108.3	C610 Y614 V615	C610-C623 WeakPolarHBondContact CA-SG 3.5Å; C610-C623 HydrophobicContact CB-CB 3.74Å; C610-C623 WeakPolarHBondContact CB-SG 3.22Å; C610-C623 WeakPolarHBondContact SG-CB 3.46Å; C610-C623 CovalentContact SG-SG 2.04Å; C610-C623 PolarHBondContact SG-SG 2.97Å; Y614-C623 HydrophobicContact CD1-CB 4.45Å; V615-C623 CarbonylContact O-C 3.51Å; V615-C623 WeakPolarHBondContact O-CA 3.22Å
624	D	83.5	Confident	78	Confident	54 Å²	54	74.3 Å²	74.3	29%	0.289	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	155.4	178.1	-66.4	-0.3	0	0	0	110.1	Y614 V615 N617 S620 I622	Y614-D624 CarbonylContact C-O 3.46Å; Y614-D624 VanDerWaalsContact CA-O 3.24Å; Y614-D624 WeakPolarHBondContact CA-O 3.28Å; Y614-D624 WeakPolarHBondContact CB-O 3.35Å; V615-D624 PolarHBondContact N-O 2.04Å; V615-D624 PolarHBondContact O-N 2.78Å; N617-D624 HydrophobicContact CB-CB 4.33Å; N617-D624 WeakPolarHBondContact CB-OD2 3.23Å; N617-D624 PolarHBondContact ND2-OD2 3.2Å; S620-D624 PolarHBondContact OG-OD1 2.56Å; I622-D624 PolarHBondContact O-N 2.99Å
625	D	84.1	Confident	77.8	Confident	61 Å²	61	72.3 Å²	72.3	33%	0.326	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.3	-178.9	-162.5	44.4	0	0	0	110.8	N643 R645 G646	D625-N643 PolarHBondContact OD2-ND2 2.91Å; D625-R645 WeakPolarHBondContact OD1-CA 3.04Å; D625-G646 PolarHBondContact OD1-N 3.47Å
626	I	81.3	Confident	77.7	Confident	39 Å²	39	77.3 Å²	77.3	20%	0.2	42%	0.422	C	S	.	.			trans	-86.4	114.1	171.3	-56.4	173.2	0	0	0	107.3	G613 V615 E628 N643	G613-I626 WeakPolarHBondContact O-CB 3.37Å; G613-I626 WeakPolarHBondContact O-CG1 3.3Å; G613-I626 PolarHBondContact O-N 2.93Å; V615-I626 HydrophobicContact CB-CD1 4.21Å; V615-I626 HydrophobicContact CB-CG1 3.88Å; V615-I626 HydrophobicContact CG1-CG1 3.94Å; I626-E628 VanDerWaalsContact C-N 3.27Å; I626-E628 HydrophobicContact CB-CG 4.07Å; I626-E628 HydrophobicContact CG2-CG 3.68Å; I626-E628 PolarHBondContact O-N 2.91Å; I626-N643 PolarHBondContact O-OD1 3.23Å
627	D	84.3	Confident	77.4	Confident	66 Å²	66	78.6 Å²	78.6	35%	0.353	44%	0.441	S	S	.	.			trans	-72.3	90.1	165.5	-173.3	-10.5	0	0	0	108.9	C629 Q630 N643	D627-C629 PolarHBondContact O-N 3.32Å; D627-C629 WeakPolarHBondContact OD1-CB 3.33Å; D627-C629 PolarHBondContact OD1-N 3.21Å; D627-C629 VanDerWaalsContact OD1-N 3.16Å; D627-Q630 HydrophobicContact CB-CG 3.87Å; D627-Q630 PolarHBondContact O-N 3.2Å; D627-Q630 WeakPolarHBondContact OD2-CG 3.15Å; D627-Q630 PolarHBondContact OD2-NE2 3.41Å; D627-N643 WeakPolarHBondContact CA-OD1 3.24Å; D627-N643 WeakPolarHBondContact OD1-CB 3.45Å
628	E	85.6	Confident	77.2	Confident	24 Å²	24	82 Å²	82	11%	0.112	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-69	-26.7	-174.9	-71.8	159.7	142	0	0	110.4	I626 Q630 Q631 K634 N643 F647 F648	I626-E628 VanDerWaalsContact C-N 3.27Å; I626-E628 HydrophobicContact CB-CG 4.07Å; I626-E628 HydrophobicContact CG2-CG 3.68Å; I626-E628 PolarHBondContact O-N 2.91Å; E628-Q630 PolarHBondContact O-N 2.89Å; E628-Q631 WeakPolarHBondContact O-CB 3.44Å; E628-Q631 PolarHBondContact O-N 2.87Å; E628-K634 VanDerWaalsContact O-CG 3.23Å; E628-K634 WeakPolarHBondContact O-CG 3.45Å; E628-N643 PolarHBondContact N-OD1 2.99Å; E628-F647 VanDerWaalsContact OE2-CA 3.3Å; E628-F647 WeakPolarHBondContact OE2-CA 3.32Å; E628-F648 HydrophobicContact CB-CB 4.1Å; E628-F648 HydrophobicContact CB-CD1 3.58Å; E628-F648 HydrophobicContact CB-CE1 4.39Å; E628-F648 HydrophobicContact CB-CG 4.13Å; E628-F648 HydrophobicContact CG-CD1 4.2Å; E628-F648 WeakPolarHBondContact OE2-CD1 3.1Å; E628-F648 PolarHBondContact OE2-N 2.79Å
629	C	86.3	Confident	77.7	Confident	40 Å²	40	77.9 Å²	77.9	27%	0.27	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-68.7	-12	176.9	-61.7	0	0	0	0	114.2	D627 Q631 C641 V642	D627-C629 PolarHBondContact O-N 3.32Å; D627-C629 WeakPolarHBondContact OD1-CB 3.33Å; D627-C629 PolarHBondContact OD1-N 3.21Å; D627-C629 VanDerWaalsContact OD1-N 3.16Å; C629-Q631 VanDerWaalsContact C-N 3.26Å; C629-C641 WeakPolarHBondContact CA-SG 3.45Å; C629-C641 HydrophobicContact CB-CB 3.81Å; C629-C641 WeakPolarHBondContact CB-SG 3.39Å; C629-C641 VanDerWaalsContact SG-C 3.53Å; C629-C641 WeakPolarHBondContact SG-CB 3.34Å; C629-C641 CovalentContact SG-SG 2.04Å; C629-C641 PolarHBondContact SG-SG 3.34Å; C629-V642 VanDerWaalsContact SG-C 3.59Å; C629-V642 PolarHBondContact SG-N 3.49Å
630	Q	83.7	Confident	78	Confident	149 Å²	149	77.6 Å²	77.6	70%	0.696	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-74.4	-15.4	167.9	-55.5	-58	-32.9	0	0	113	D627 E628	D627-Q630 HydrophobicContact CB-CG 3.87Å; D627-Q630 PolarHBondContact O-N 3.2Å; D627-Q630 WeakPolarHBondContact OD2-CG 3.15Å; D627-Q630 PolarHBondContact OD2-NE2 3.41Å; E628-Q630 PolarHBondContact O-N 2.89Å
631	Q	76.8	Confident	78.5	Confident	95 Å²	95	77.1 Å²	77.1	44%	0.444	40%	0.403	S	S	.	.	S	Bend	trans	-91.6	134.1	179	-61.6	178	16.4	0	0	110.3	E628 C629 K634	E628-Q631 WeakPolarHBondContact O-CB 3.44Å; E628-Q631 PolarHBondContact O-N 2.87Å; C629-Q631 VanDerWaalsContact C-N 3.26Å; Q631-K634 VanDerWaalsContact CB-CE 3.48Å; Q631-K634 HydrophobicContact CB-CG 4.29Å
632	P	74.9	Confident	79.4	Confident	113 Å²	113	77 Å²	77	73%	0.734	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	147.4	-178.9	25.3	-33.9	0	0	0	112.2	K634	P632-K634 PolarHBondContact O-N 3.41Å
633	N	72.3	Confident	79.6	Confident	159 Å²	159	74 Å²	74	85%	0.85	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	28.7	171.4	-52.2	-31.7	0	0	0	116.8
634	K	80.3	Confident	79.9	Confident	72 Å²	72	78.2 Å²	78.2	31%	0.313	40%	0.397	S	S	.	.	S	Bend	trans	-67.4	-49	173.6	-72.6	-66.4	-179.2	169.9	0	114.5	E628 Q631 P632 F648	E628-K634 VanDerWaalsContact O-CG 3.23Å; E628-K634 WeakPolarHBondContact O-CG 3.45Å; Q631-K634 VanDerWaalsContact CB-CE 3.48Å; Q631-K634 HydrophobicContact CB-CG 4.29Å; P632-K634 PolarHBondContact O-N 3.41Å; K634-F648 HydrophobicContact CB-CD2 4.06Å; K634-F648 HydrophobicContact CB-CE1 4.48Å; K634-F648 HydrophobicContact CB-CE2 3.73Å; K634-F648 HydrophobicContact CB-CZ 3.97Å; K634-F648 HydrophobicContact CD-CD1 4.5Å; K634-F648 HydrophobicContact CD-CE1 3.95Å; K634-F648 HydrophobicContact CD-CZ 4.01Å; K634-F648 HydrophobicContact CG-CZ 4.45Å; K634-F648 WeakPolarHBondContact O-CE2 3.34Å
635	C	80	Confident	80	Confident	21 Å²	21	85 Å²	85	14%	0.142	42%	0.419	C	S	.	.	S	Bend	trans	-96.2	161.5	172.7	-64.5	0	0	0	0	110.4	E639 C641 C650	C635-E639 HydrophobicContact CB-CB 3.79Å; C635-C641 HydrophobicContact CB-CB 4.47Å; C635-C641 VanDerWaalsContact SG-CA 3.57Å; C635-C650 WeakPolarHBondContact CA-SG 3.45Å; C635-C650 HydrophobicContact CB-CB 3.81Å; C635-C650 WeakPolarHBondContact CB-SG 3.45Å; C635-C650 WeakPolarHBondContact SG-CA 3.22Å; C635-C650 WeakPolarHBondContact SG-CB 3.41Å; C635-C650 CovalentContact SG-SG 2.04Å; C635-C650 PolarHBondContact SG-SG 3.45Å
636	R	75.8	Confident	79.7	Confident	158 Å²	158	82.9 Å²	82.9	60%	0.596	41%	0.411	S	S	*	.			trans	-66.9	160.4	174.9	-53.8	-176.9	-178.4	178.5	-7.7	110.1	W638 E639	R636-W638 HydrophobicContact CB-CD2 3.98Å; R636-W638 HydrophobicContact CB-CE3 4.33Å; R636-W638 HydrophobicContact CB-CH2 4.33Å; R636-W638 HydrophobicContact CB-CZ2 3.95Å; R636-W638 HydrophobicContact CB-CZ3 4.48Å; R636-W638 HydrophobicContact CG-CZ2 4.19Å; R636-W638 PolarHBondContact O-N 3.09Å; R636-E639 HydrophobicContact CB-CG 4.38Å; R636-E639 WeakPolarHBondContact CB-OE2 3.11Å; R636-E639 WeakPolarHBondContact CD-OE1 3.29Å; R636-E639 VanDerWaalsContact CG-OE2 3.31Å; R636-E639 WeakPolarHBondContact CG-OE2 3.45Å; R636-E639 PolarHBondContact N-OE2 3.42Å; R636-E639 WeakPolarHBondContact O-CA 3.48Å; R636-E639 WeakPolarHBondContact O-CB 3.29Å; R636-E639 PolarHBondContact O-N 3.34Å
637	S	67.2	Low	79.8	Confident	98 Å²	98	86 Å²	86	69%	0.685	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.1	-175.4	49.9	0	0	0	0	113.3	E639 K653	S637-E639 VanDerWaalsContact C-N 3.28Å; S637-E639 PolarHBondContact O-N 3.17Å; S637-K653 PolarHBondContact O-NZ 2.75Å
638	W	68.7	Low	79.9	Confident	124 Å²	124	85.8 Å²	85.8	47%	0.47	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	13.7	172.8	62.1	80.9	0	0	0	114.2	R636 K653 I662	R636-W638 HydrophobicContact CB-CD2 3.98Å; R636-W638 HydrophobicContact CB-CE3 4.33Å; R636-W638 HydrophobicContact CB-CH2 4.33Å; R636-W638 HydrophobicContact CB-CZ2 3.95Å; R636-W638 HydrophobicContact CB-CZ3 4.48Å; R636-W638 HydrophobicContact CG-CZ2 4.19Å; R636-W638 PolarHBondContact O-N 3.09Å; W638-K653 WeakPolarHBondContact O-CA 3.37Å; W638-K653 WeakPolarHBondContact O-CB 3.47Å; W638-K653 PolarHBondContact O-N 2.64Å; W638-I662 HydrophobicContact CB-CD1 4.27Å
639	E	77.5	Confident	79.8	Confident	35 Å²	35	89 Å²	89	16%	0.164	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.3	176.9	-74.1	150.3	-157.3	0	0	110.9	C635 R636 S637 C650 E651 K653	C635-E639 HydrophobicContact CB-CB 3.79Å; R636-E639 HydrophobicContact CB-CG 4.38Å; R636-E639 WeakPolarHBondContact CB-OE2 3.11Å; R636-E639 WeakPolarHBondContact CD-OE1 3.29Å; R636-E639 VanDerWaalsContact CG-OE2 3.31Å; R636-E639 WeakPolarHBondContact CG-OE2 3.45Å; R636-E639 PolarHBondContact N-OE2 3.42Å; R636-E639 WeakPolarHBondContact O-CA 3.48Å; R636-E639 WeakPolarHBondContact O-CB 3.29Å; R636-E639 PolarHBondContact O-N 3.34Å; S637-E639 VanDerWaalsContact C-N 3.28Å; S637-E639 PolarHBondContact O-N 3.17Å; E639-C650 HydrophobicContact CB-CB 4.02Å; E639-C650 HydrophobicContact CG-CB 4.22Å; E639-E651 CarbonylContact C-O 3.46Å; E639-E651 VanDerWaalsContact CA-O 3.24Å; E639-E651 WeakPolarHBondContact CA-O 3.07Å; E639-K653 WeakPolarHBondContact O-CE 3.34Å; E639-K653 PolarHBondContact O-NZ 3.2Å
640	K	79.9	Confident	79.6	Confident	107 Å²	107	89.4 Å²	89.4	47%	0.465	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.4	174.5	167.6	-176.4	164.7	-118.4	0	108.3	V642 C650 E651 K653	K640-V642 HydrophobicContact CG-CG2 4.38Å; K640-C650 WeakPolarHBondContact O-CA 3.04Å; K640-E651 HydrophobicContact CB-CB 4.39Å; K640-E651 PolarHBondContact N-O 3.45Å; K640-E651 IonicContact NZ-OE2 2.61Å; K640-E651 PolarHBondContact NZ-OE2 2.79Å; K640-E651 PolarHBondContact O-N 3.12Å; K640-K653 HydrophobicContact CB-CG 4.48Å
641	C	83.2	Confident	79.2	Confident	39 Å²	39	86.4 Å²	86.4	26%	0.264	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135.8	173.1	-161.7	0	0	0	0	110.3	C629 C635	C629-C641 WeakPolarHBondContact CA-SG 3.45Å; C629-C641 HydrophobicContact CB-CB 3.81Å; C629-C641 WeakPolarHBondContact CB-SG 3.39Å; C629-C641 VanDerWaalsContact SG-C 3.53Å; C629-C641 WeakPolarHBondContact SG-CB 3.34Å; C629-C641 CovalentContact SG-SG 2.04Å; C629-C641 PolarHBondContact SG-SG 3.34Å; C635-C641 HydrophobicContact CB-CB 4.47Å; C635-C641 VanDerWaalsContact SG-CA 3.57Å
642	V	85.9	Confident	78.5	Confident	41 Å²	41	85.4 Å²	85.4	25%	0.248	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.1	171.5	179.7	0	0	0	0	107.2	C629 K640 F648 L649 E651	C629-V642 VanDerWaalsContact SG-C 3.59Å; C629-V642 PolarHBondContact SG-N 3.49Å; K640-V642 HydrophobicContact CG-CG2 4.38Å; V642-F648 CarbonylContact O-C 3.34Å; V642-F648 WeakPolarHBondContact O-CA 3.49Å; V642-L649 PolarHBondContact N-O 3.32Å; V642-L649 PolarHBondContact O-N 2.85Å; V642-E651 HydrophobicContact CG2-CG 4.07Å; V642-E651 WeakPolarHBondContact CG2-OE2 2.97Å
643	N	81.7	Confident	77.8	Confident	43 Å²	43	83.9 Å²	83.9	23%	0.23	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.2	-179.8	-158	76.9	0	0	0	111	D625 I626 D627 E628	D625-N643 PolarHBondContact OD2-ND2 2.91Å; I626-N643 PolarHBondContact O-OD1 3.23Å; D627-N643 WeakPolarHBondContact CA-OD1 3.24Å; D627-N643 WeakPolarHBondContact OD1-CB 3.45Å; E628-N643 PolarHBondContact N-OD1 2.99Å
644	E	84.4	Confident	77.3	Confident	104 Å²	104	80.7 Å²	80.7	49%	0.486	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	165	173.7	-79.1	-74.1	-178.2	0	0	109.2	G646 F647	E644-G646 PolarHBondContact O-N 3.31Å; E644-F647 CarbonylContact C-O 3.55Å; E644-F647 WeakPolarHBondContact CA-O 3.28Å; E644-F647 HydrophobicContact CB-CD1 4.33Å; E644-F647 HydrophobicContact CB-CD2 4.1Å; E644-F647 HydrophobicContact CB-CE1 3.88Å; E644-F647 HydrophobicContact CB-CE2 3.63Å; E644-F647 HydrophobicContact CB-CG 4.43Å; E644-F647 HydrophobicContact CB-CZ 3.49Å; E644-F647 VanDerWaalsContact CB-CZ 3.49Å; E644-F647 WeakPolarHBondContact CB-O 3.09Å; E644-F647 HydrophobicContact CG-CE2 4.11Å; E644-F647 HydrophobicContact CG-CZ 4.09Å; E644-F647 PolarHBondContact N-O 2.87Å; E644-F647 CarbonylContact O-C 3.57Å; E644-F647 PolarHBondContact O-N 2.77Å; E644-F647 VanDerWaalsContact O-N 3.13Å
645	R	85.2	Confident	76.6	Confident	198 Å²	198	84.3 Å²	84.3	75%	0.747	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	106.7	-173.2	-84.7	-172.1	179.9	151.9	1.5	113.1	Y614 D625	Y614-R645 PolarHBondContact OH-O 3.46Å; D625-R645 WeakPolarHBondContact OD1-CA 3.04Å
646	G	78.3	Confident	76.2	Confident	16 Å²	16	85.1 Å²	85.1	17%	0.165	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	10.5	-178.8	0	0	0	0	0	115.3	D625 E644	D625-G646 PolarHBondContact OD1-N 3.47Å; E644-G646 PolarHBondContact O-N 3.31Å
647	F	84.7	Confident	76.2	Confident	104 Å²	104	80.8 Å²	80.8	46%	0.456	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	145	173.8	62.6	-78.9	0	0	0	112.3	E628 E644 L649	E628-F647 VanDerWaalsContact OE2-CA 3.3Å; E628-F647 WeakPolarHBondContact OE2-CA 3.32Å; E644-F647 CarbonylContact C-O 3.55Å; E644-F647 WeakPolarHBondContact CA-O 3.28Å; E644-F647 HydrophobicContact CB-CD1 4.33Å; E644-F647 HydrophobicContact CB-CD2 4.1Å; E644-F647 HydrophobicContact CB-CE1 3.88Å; E644-F647 HydrophobicContact CB-CE2 3.63Å; E644-F647 HydrophobicContact CB-CG 4.43Å; E644-F647 HydrophobicContact CB-CZ 3.49Å; E644-F647 VanDerWaalsContact CB-CZ 3.49Å; E644-F647 WeakPolarHBondContact CB-O 3.09Å; E644-F647 HydrophobicContact CG-CE2 4.11Å; E644-F647 HydrophobicContact CG-CZ 4.09Å; E644-F647 PolarHBondContact N-O 2.87Å; E644-F647 CarbonylContact O-C 3.57Å; E644-F647 PolarHBondContact O-N 2.77Å; E644-F647 VanDerWaalsContact O-N 3.13Å; F647-L649 HydrophobicContact CE2-CD1 4.43Å
648	F	85.6	Confident	76.6	Confident	62 Å²	62	85.3 Å²	85.3	27%	0.272	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	147.7	161.2	68.2	-76.5	0	0	0	112.9	E628 K634 V642 C650	E628-F648 HydrophobicContact CB-CB 4.1Å; E628-F648 HydrophobicContact CB-CD1 3.58Å; E628-F648 HydrophobicContact CB-CE1 4.39Å; E628-F648 HydrophobicContact CB-CG 4.13Å; E628-F648 HydrophobicContact CG-CD1 4.2Å; E628-F648 WeakPolarHBondContact OE2-CD1 3.1Å; E628-F648 PolarHBondContact OE2-N 2.79Å; K634-F648 HydrophobicContact CB-CD2 4.06Å; K634-F648 HydrophobicContact CB-CE1 4.48Å; K634-F648 HydrophobicContact CB-CE2 3.73Å; K634-F648 HydrophobicContact CB-CZ 3.97Å; K634-F648 HydrophobicContact CD-CD1 4.5Å; K634-F648 HydrophobicContact CD-CE1 3.95Å; K634-F648 HydrophobicContact CD-CZ 4.01Å; K634-F648 HydrophobicContact CG-CZ 4.45Å; K634-F648 WeakPolarHBondContact O-CE2 3.34Å; V642-F648 CarbonylContact O-C 3.34Å; V642-F648 WeakPolarHBondContact O-CA 3.49Å; F648-C650 VanDerWaalsContact CE2-SG 3.54Å
649	L	83	Confident	77.2	Confident	92 Å²	92	79.7 Å²	79.7	48%	0.482	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.6	168.3	-157	78.9	0	0	0	110.2	V642 F647	V642-L649 PolarHBondContact N-O 3.32Å; V642-L649 PolarHBondContact O-N 2.85Å; F647-L649 HydrophobicContact CE2-CD1 4.43Å
650	C	82.6	Confident	77.5	Confident	47 Å²	47	79.5 Å²	79.5	32%	0.318	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	103.1	175.4	-61.7	0	0	0	0	110.3	C635 E639 K640 F648	C635-C650 WeakPolarHBondContact CA-SG 3.45Å; C635-C650 HydrophobicContact CB-CB 3.81Å; C635-C650 WeakPolarHBondContact CB-SG 3.45Å; C635-C650 WeakPolarHBondContact SG-CA 3.22Å; C635-C650 WeakPolarHBondContact SG-CB 3.41Å; C635-C650 CovalentContact SG-SG 2.04Å; C635-C650 PolarHBondContact SG-SG 3.45Å; E639-C650 HydrophobicContact CB-CB 4.02Å; E639-C650 HydrophobicContact CG-CB 4.22Å; K640-C650 WeakPolarHBondContact O-CA 3.04Å; F648-C650 VanDerWaalsContact CE2-SG 3.54Å
651	E	74.7	Confident	77.6	Confident	87 Å²	87	79.4 Å²	79.4	41%	0.407	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.1	175.6	-62.7	-177.9	137	0	0	110.4	E639 K640 V642 K653	E639-E651 CarbonylContact C-O 3.46Å; E639-E651 VanDerWaalsContact CA-O 3.24Å; E639-E651 WeakPolarHBondContact CA-O 3.07Å; K640-E651 HydrophobicContact CB-CB 4.39Å; K640-E651 PolarHBondContact N-O 3.45Å; K640-E651 IonicContact NZ-OE2 2.61Å; K640-E651 PolarHBondContact NZ-OE2 2.79Å; K640-E651 PolarHBondContact O-N 3.12Å; V642-E651 HydrophobicContact CG2-CG 4.07Å; V642-E651 WeakPolarHBondContact CG2-OE2 2.97Å; E651-K653 PolarHBondContact O-N 2.81Å
652	A	62.3	Low	77.2	Confident	73 Å²	73	79.2 Å²	79.2	60%	0.603	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.3	179.5	0	0	0	0	0	112.1
653	K	60.4	Low	76.9	Confident	81 Å²	81	77.9 Å²	77.9	35%	0.352	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-79.1	138.9	159.7	-54.8	164.4	177.2	142	0	107.3	S637 W638 E639 K640 E651 I662	S637-K653 PolarHBondContact O-NZ 2.75Å; W638-K653 WeakPolarHBondContact O-CA 3.37Å; W638-K653 WeakPolarHBondContact O-CB 3.47Å; W638-K653 PolarHBondContact O-N 2.64Å; E639-K653 WeakPolarHBondContact O-CE 3.34Å; E639-K653 PolarHBondContact O-NZ 3.2Å; K640-K653 HydrophobicContact CB-CG 4.48Å; E651-K653 PolarHBondContact O-N 2.81Å; K653-I662 HydrophobicContact CB-CD1 3.52Å; K653-I662 WeakPolarHBondContact O-CD1 3.31Å
654	L	62.1	Low	76.4	Confident	92 Å²	92	82.5 Å²	82.5	48%	0.482	43%	0.43	S	S	.	.			trans	3.7	105.7	174.2	-167.8	72.3	0	0	0	117.5	C656 I662	L654-C656 PolarHBondContact O-N 2.81Å; L654-I662 HydrophobicContact CB-CD1 4Å; L654-I662 HydrophobicContact CB-CG1 4.38Å; L654-I662 WeakPolarHBondContact O-CD1 3.5Å
655	N	65.4	Low	75.7	Confident	148 Å²	148	83.2 Å²	83.2	79%	0.791	44%	0.437	S	S	*	.			trans	-62.8	104.9	175.1	-73.3	-4.5	0	0	0	112
656	C	72	Confident	74.8	Confident	38 Å²	38	75 Å²	75	26%	0.257	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-79.4	160.5	169.8	-68.9	0	0	0	0	112.4	L654 C669	L654-C656 PolarHBondContact O-N 2.81Å; C656-C669 WeakPolarHBondContact CA-SG 3.4Å; C656-C669 HydrophobicContact CB-CB 3.82Å; C656-C669 WeakPolarHBondContact CB-SG 3.47Å; C656-C669 VanDerWaalsContact SG-CA 3.57Å; C656-C669 WeakPolarHBondContact SG-CB 3.34Å; C656-C669 CovalentContact SG-SG 2.04Å; C656-C669 PolarHBondContact SG-SG 3.34Å
657	A	74.8	Confident	74.6	Confident	67 Å²	67	78.9 Å²	78.9	55%	0.554	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-75.3	155.7	174.5	0	0	0	0	0	111.2	T660	A657-T660 PolarHBondContact N-OG1 2.98Å; A657-T660 PolarHBondContact O-N 2.73Å; A657-T660 VanDerWaalsContact O-O 3.13Å; A657-T660 PolarHBondContact O-OG1 2.8Å
658	H	76.9	Confident	74.2	Confident	193 Å²	193	78.5 Å²	78.5	89%	0.894	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	140.2	173.9	-155.9	-79.9	0	0	0	110.5	T660	H658-T660 VanDerWaalsContact C-N 3.28Å
659	G	80.5	Confident	74	Confident	6 Å²	6	78.2 Å²	78.2	6%	0.062	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-1.8	-169.4	0	0	0	0	0	114.9	I672	G659-I672 PolarHBondContact O-N 3.15Å
660	T	84.9	Confident	74.1	Confident	32 Å²	32	77.4 Å²	77.4	20%	0.196	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.7	174.5	66.5	0	0	0	0	111.8	A657 H658 L670	A657-T660 PolarHBondContact N-OG1 2.98Å; A657-T660 PolarHBondContact O-N 2.73Å; A657-T660 VanDerWaalsContact O-O 3.13Å; A657-T660 PolarHBondContact O-OG1 2.8Å; H658-T660 VanDerWaalsContact C-N 3.28Å; T660-L670 CarbonylContact C-O 3.59Å; T660-L670 WeakPolarHBondContact CA-O 3.39Å; T660-L670 VanDerWaalsContact CB-O 3.29Å; T660-L670 WeakPolarHBondContact CB-O 3.3Å
661	R	80.4	Confident	74.4	Confident	105 Å²	105	77.4 Å²	77.4	40%	0.396	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.7	178.7	62.7	171.5	168.7	-143.4	-15.6	112.2	C669 L670 I672 E677	R661-C669 CarbonylContact O-C 3.5Å; R661-C669 VanDerWaalsContact O-CA 3.31Å; R661-C669 WeakPolarHBondContact O-CA 3.44Å; R661-L670 PolarHBondContact N-O 3.32Å; R661-L670 PolarHBondContact O-N 2.81Å; R661-I672 HydrophobicContact CB-CD1 4.16Å; R661-I672 HydrophobicContact CB-CG1 4.01Å; R661-I672 HydrophobicContact CG-CG1 3.95Å; R661-E677 IonicContact CZ-OE1 3.07Å; R661-E677 IonicContact CZ-OE2 3.78Å; R661-E677 IonicContact NH1-OE1 2.78Å; R661-E677 PolarHBondContact NH1-OE1 2.83Å; R661-E677 IonicContact NH1-OE2 2.65Å; R661-E677 PolarHBondContact NH1-OE2 2.63Å; R661-E677 IonicContact NH2-OE1 2.65Å; R661-E677 PolarHBondContact NH2-OE1 3.38Å
662	I	75.6	Confident	74.9	Confident	34 Å²	34	75 Å²	75	17%	0.174	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	136.9	167	-90.9	-177.1	0	0	0	110.8	W638 K653 L654 E668	W638-I662 HydrophobicContact CB-CD1 4.27Å; K653-I662 HydrophobicContact CB-CD1 3.52Å; K653-I662 WeakPolarHBondContact O-CD1 3.31Å; L654-I662 HydrophobicContact CB-CD1 4Å; L654-I662 HydrophobicContact CB-CG1 4.38Å; L654-I662 WeakPolarHBondContact O-CD1 3.5Å; I662-E668 WeakPolarHBondContact CA-O 3.37Å
663	N	78.8	Confident	76.1	Confident	13 Å²	13	73.9 Å²	73.9	7%	0.07	41%	0.405	C	S	.	.			trans	-69.1	170.5	166.3	76.5	-7.4	0	0	0	112.4	N665 G666 T667 E668 L670	N663-N665 PolarHBondContact O-N 2.83Å; N663-N665 PolarHBondContact OD1-N 2.82Å; N663-G666 PolarHBondContact O-N 3.47Å; N663-G666 VanDerWaalsContact O-N 3.13Å; N663-G666 PolarHBondContact OD1-N 2.87Å; N663-T667 PolarHBondContact ND2-OG1 2.03Å; N663-T667 PolarHBondContact OD1-N 2.86Å; N663-T667 PolarHBondContact OD1-OG1 2.89Å; N663-E668 HydrophobicContact CB-CG 3.89Å; N663-E668 PolarHBondContact N-O 2.04Å; N663-E668 VanDerWaalsContact ND2-CD 3.35Å; N663-E668 WeakPolarHBondContact ND2-CG 3.31Å; N663-E668 PolarHBondContact ND2-OE1 2.82Å; N663-E668 PolarHBondContact OD1-N 2.72Å; N663-L670 HydrophobicContact CB-CD1 3.71Å; N663-L670 HydrophobicContact CB-CG 4.07Å
664	T	71.5	Confident	77.4	Confident	140 Å²	140	70.9 Å²	70.9	86%	0.859	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-22.5	-178.6	52.8	0	0	0	0	114.9
665	N	70.3	Confident	78.7	Confident	120 Å²	120	66.8 Å²	66.8	64%	0.642	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-7.3	-171.2	-58.2	-1.3	0	0	0	113	N663 T667	N663-N665 PolarHBondContact O-N 2.83Å; N663-N665 PolarHBondContact OD1-N 2.82Å; N665-T667 VanDerWaalsContact C-N 3.34Å; N665-T667 HydrophobicContact CB-CG2 3.93Å
666	G	65.3	Low	79.6	Confident	25 Å²	25	64 Å²	64	26%	0.258	36%	0.356	S	S	.	.	S	Bend	trans	75.3	17.5	-174.2	0	0	0	0	0	114.7	N663	N663-G666 PolarHBondContact O-N 3.47Å; N663-G666 VanDerWaalsContact O-N 3.13Å; N663-G666 PolarHBondContact OD1-N 2.87Å
667	T	74.5	Confident	80.1	Confident	97 Å²	97	66.7 Å²	66.7	60%	0.595	37%	0.365	S	S	*	.	S	Bend	trans	-107.7	-23.5	-167.7	62.7	0	0	0	0	115.3	N663 N665	N663-T667 PolarHBondContact ND2-OG1 2.03Å; N663-T667 PolarHBondContact OD1-N 2.86Å; N663-T667 PolarHBondContact OD1-OG1 2.89Å; N665-T667 VanDerWaalsContact C-N 3.34Å; N665-T667 HydrophobicContact CB-CG2 3.93Å
668	E	77.4	Confident	80.1	Confident	96 Å²	96	71.5 Å²	71.5	45%	0.449	37%	0.373	S	S	.	.			trans	-144.6	162	-179.4	86.3	-150.7	136.9	0	0	111.5	I662 N663 L670	I662-E668 WeakPolarHBondContact CA-O 3.37Å; N663-E668 HydrophobicContact CB-CG 3.89Å; N663-E668 PolarHBondContact N-O 2.04Å; N663-E668 VanDerWaalsContact ND2-CD 3.35Å; N663-E668 WeakPolarHBondContact ND2-CG 3.31Å; N663-E668 PolarHBondContact ND2-OE1 2.82Å; N663-E668 PolarHBondContact OD1-N 2.72Å; E668-L670 HydrophobicContact CG-CD2 3.87Å; E668-L670 HydrophobicContact CG-CG 4.08Å
669	C	80.9	Confident	80.3	Confident	57 Å²	57	65.6 Å²	65.6	39%	0.385	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.3	173.6	-58.8	0	0	0	0	109.4	C656 R661	C656-C669 WeakPolarHBondContact CA-SG 3.4Å; C656-C669 HydrophobicContact CB-CB 3.82Å; C656-C669 WeakPolarHBondContact CB-SG 3.47Å; C656-C669 VanDerWaalsContact SG-CA 3.57Å; C656-C669 WeakPolarHBondContact SG-CB 3.34Å; C656-C669 CovalentContact SG-SG 2.04Å; C656-C669 PolarHBondContact SG-SG 3.34Å; R661-C669 CarbonylContact O-C 3.5Å; R661-C669 VanDerWaalsContact O-CA 3.31Å; R661-C669 WeakPolarHBondContact O-CA 3.44Å
670	L	85.4	Confident	80.4	Confident	75 Å²	75	67.8 Å²	67.8	39%	0.393	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	150.2	176.4	-61.8	175.6	0	0	0	110.4	T660 R661 N663 E668	T660-L670 CarbonylContact C-O 3.59Å; T660-L670 WeakPolarHBondContact CA-O 3.39Å; T660-L670 VanDerWaalsContact CB-O 3.29Å; T660-L670 WeakPolarHBondContact CB-O 3.3Å; R661-L670 PolarHBondContact N-O 3.32Å; R661-L670 PolarHBondContact O-N 2.81Å; N663-L670 HydrophobicContact CB-CD1 3.71Å; N663-L670 HydrophobicContact CB-CG 4.07Å; E668-L670 HydrophobicContact CG-CD2 3.87Å; E668-L670 HydrophobicContact CG-CG 4.08Å
671	D	88.1	Confident	80.4	Confident	47 Å²	47	73.8 Å²	73.8	25%	0.251	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	144.9	169.4	-161.4	48.7	0	0	0	111.5	N690 L692 G693	D671-N690 PolarHBondContact OD2-ND2 2.6Å; D671-L692 HydrophobicContact CB-CD1 4.13Å; D671-L692 WeakPolarHBondContact OD1-CA 3.24Å; D671-G693 PolarHBondContact OD1-N 2.65Å
672	I	85.2	Confident	80.6	Confident	37 Å²	37	69.7 Å²	69.7	19%	0.19	37%	0.374	C	S	.	.			trans	-100.7	107.7	169.3	-57.1	171.8	0	0	0	106.6	G659 R661 E674	G659-I672 PolarHBondContact O-N 3.15Å; R661-I672 HydrophobicContact CB-CD1 4.16Å; R661-I672 HydrophobicContact CB-CG1 4.01Å; R661-I672 HydrophobicContact CG-CG1 3.95Å; I672-E674 VanDerWaalsContact C-N 3.28Å; I672-E674 HydrophobicContact CG2-CG 4.09Å; I672-E674 PolarHBondContact O-N 3.04Å
673	D	87.8	Confident	81.1	Confident	48 Å²	48	72.8 Å²	72.8	26%	0.257	39%	0.391	S	S	.	.			trans	-73	88.8	172.9	-168.4	-54.2	0	0	0	109	C675 L676 E677 N690	D673-C675 PolarHBondContact O-N 3.45Å; D673-C675 WeakPolarHBondContact OD1-CB 3.11Å; D673-C675 PolarHBondContact OD1-N 3.11Å; D673-L676 HydrophobicContact CB-CB 4.25Å; D673-L676 HydrophobicContact CB-CD1 4.27Å; D673-L676 HydrophobicContact CB-CG 4.46Å; D673-L676 PolarHBondContact O-N 2.97Å; D673-L676 WeakPolarHBondContact OD1-CG 3.32Å; D673-L676 PolarHBondContact OD1-N 3.37Å; D673-E677 PolarHBondContact O-N 3.25Å; D673-N690 WeakPolarHBondContact CA-ND2 3.24Å; D673-N690 PolarHBondContact OD2-ND2 3.37Å; D673-N690 VanDerWaalsContact OD2-ND2 3.14Å
674	E	88.6	Confident	80.9	Confident	18 Å²	18	80.6 Å²	80.6	8%	0.084	43%	0.433	C	S	.	.	H	α-helix	trans	-63.6	-27.4	-171.8	-62.8	121.1	146.3	0	0	111.6	I672 K678 S679 F680 Y695	I672-E674 VanDerWaalsContact C-N 3.28Å; I672-E674 HydrophobicContact CG2-CG 4.09Å; I672-E674 PolarHBondContact O-N 3.04Å; E674-K678 CarbonylContact O-C 3.55Å; E674-K678 WeakPolarHBondContact O-CA 3.5Å; E674-K678 PolarHBondContact O-N 3.26Å; E674-S679 VanDerWaalsContact CA-OG 3.32Å; E674-S679 WeakPolarHBondContact CA-OG 3.29Å; E674-S679 WeakPolarHBondContact CB-OG 3.47Å; E674-S679 WeakPolarHBondContact CG-OG 3.47Å; E674-S679 PolarHBondContact O-N 3.05Å; E674-F680 HydrophobicContact CB-CB 4.35Å; E674-F680 WeakPolarHBondContact O-CD1 3.16Å; E674-Y695 HydrophobicContact CB-CD1 3.84Å; E674-Y695 HydrophobicContact CB-CG 4.41Å; E674-Y695 HydrophobicContact CG-CD1 4.03Å; E674-Y695 WeakPolarHBondContact OE2-CB 3.47Å; E674-Y695 WeakPolarHBondContact OE2-CD1 3.34Å; E674-Y695 PolarHBondContact OE2-N 3.46Å; E674-Y695 VanDerWaalsContact OE2-N 3.1Å
675	C	88.7	Confident	81.1	Confident	7 Å²	7	76.4 Å²	76.4	5%	0.047	42%	0.418	C	S	.	.	H	α-helix	trans	-68.7	-43.3	178.1	-49.9	0	0	0	0	112.5	D673 C688 V689 N690 Y710	D673-C675 PolarHBondContact O-N 3.45Å; D673-C675 WeakPolarHBondContact OD1-CB 3.11Å; D673-C675 PolarHBondContact OD1-N 3.11Å; C675-C688 WeakPolarHBondContact CA-SG 3.35Å; C675-C688 HydrophobicContact CB-CB 3.73Å; C675-C688 WeakPolarHBondContact CB-SG 3.37Å; C675-C688 WeakPolarHBondContact SG-CB 3.36Å; C675-C688 CovalentContact SG-SG 2.04Å; C675-C688 PolarHBondContact SG-SG 3.36Å; C675-V689 PolarHBondContact SG-N 3.1Å; C675-V689 VanDerWaalsContact SG-N 3.38Å; C675-N690 PolarHBondContact SG-N 3.13Å; C675-Y710 HydrophobicContact CB-CD1 3.94Å; C675-Y710 HydrophobicContact CB-CE1 4.23Å
676	L	84.5	Confident	81.9	Confident	90 Å²	90	73.8 Å²	73.8	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-72.6	-35.8	174.3	-70.3	177.2	0	0	0	112.3	D673 K678 Q711	D673-L676 HydrophobicContact CB-CB 4.25Å; D673-L676 HydrophobicContact CB-CD1 4.27Å; D673-L676 HydrophobicContact CB-CG 4.46Å; D673-L676 PolarHBondContact O-N 2.97Å; D673-L676 WeakPolarHBondContact OD1-CG 3.32Å; D673-L676 PolarHBondContact OD1-N 3.37Å; L676-K678 VanDerWaalsContact C-N 3.32Å; L676-Q711 HydrophobicContact CD2-CG 4.03Å
677	E	81.1	Confident	83	Confident	93 Å²	93	73.7 Å²	73.7	44%	0.435	39%	0.394	S	S	.	.	H	α-helix	trans	-85.6	-4.5	-179.3	-70.8	179.5	-140	0	0	113.9	R661 D673 S679	R661-E677 IonicContact CZ-OE1 3.07Å; R661-E677 IonicContact CZ-OE2 3.78Å; R661-E677 IonicContact NH1-OE1 2.78Å; R661-E677 PolarHBondContact NH1-OE1 2.83Å; R661-E677 IonicContact NH1-OE2 2.65Å; R661-E677 PolarHBondContact NH1-OE2 2.63Å; R661-E677 IonicContact NH2-OE1 2.65Å; R661-E677 PolarHBondContact NH2-OE1 3.38Å; D673-E677 PolarHBondContact O-N 3.25Å; E677-S679 PolarHBondContact O-N 2.95Å
678	K	76.2	Confident	83.7	Confident	168 Å²	168	69.4 Å²	69.4	73%	0.73	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	32.4	-177.8	-54.9	-172.9	178.1	-171.1	0	113.1	E674 L676 F680	E674-K678 CarbonylContact O-C 3.55Å; E674-K678 WeakPolarHBondContact O-CA 3.5Å; E674-K678 PolarHBondContact O-N 3.26Å; L676-K678 VanDerWaalsContact C-N 3.32Å; K678-F680 VanDerWaalsContact C-N 3.34Å
679	S	80.5	Confident	84.3	Confident	69 Å²	69	67 Å²	67	48%	0.483	36%	0.36	S	S	.	.			trans	-97	18.8	176.3	59.8	0	0	0	0	113	E674 E677	E674-S679 VanDerWaalsContact CA-OG 3.32Å; E674-S679 WeakPolarHBondContact CA-OG 3.29Å; E674-S679 WeakPolarHBondContact CB-OG 3.47Å; E674-S679 WeakPolarHBondContact CG-OG 3.47Å; E674-S679 PolarHBondContact O-N 3.05Å; E677-S679 PolarHBondContact O-N 2.95Å
680	F	83.5	Confident	84.5	Confident	53 Å²	53	66.3 Å²	66.3	23%	0.232	35%	0.352	C	S	.	.			trans	-95.3	158.7	173.9	68	-90.8	0	0	0	112.2	E674 K678 C682 C688 Y695 Y710	E674-F680 HydrophobicContact CB-CB 4.35Å; E674-F680 WeakPolarHBondContact O-CD1 3.16Å; K678-F680 VanDerWaalsContact C-N 3.34Å; F680-C682 HydrophobicContact CD2-CB 4.17Å; F680-C682 HydrophobicContact CE2-CB 4.4Å; F680-C688 HydrophobicContact CB-CB 4.24Å; F680-C688 HydrophobicContact CD1-CB 3.73Å; F680-C688 HydrophobicContact CD2-CB 3.74Å; F680-C688 HydrophobicContact CE1-CB 3.92Å; F680-C688 HydrophobicContact CE2-CB 3.94Å; F680-C688 HydrophobicContact CG-CB 3.64Å; F680-C688 VanDerWaalsContact CG-SG 3.6Å; F680-C688 HydrophobicContact CZ-CB 4.03Å; F680-Y695 HydrophobicContact CB-CD1 3.97Å; F680-Y695 HydrophobicContact CB-CD2 3.74Å; F680-Y695 HydrophobicContact CB-CE1 3.92Å; F680-Y695 HydrophobicContact CB-CE2 3.7Å; F680-Y695 HydrophobicContact CB-CG 3.9Å; F680-Y710 HydrophobicContact CE1-CE2 4.01Å; F680-Y710 AromaticContact CZ-CE2 3.74Å; F680-Y710 HydrophobicContact CZ-CE2 3.74Å; F680-Y710 AromaticContact CZ-CZ 3.73Å; F680-Y710 WeakPolarHBondContact CZ-OH 3.49Å
681	H	84.3	Confident	84.6	Confident	158 Å²	158	65.5 Å²	65.5	73%	0.731	35%	0.351	S	S	*	.			trans	-128.2	112.9	165.2	-170.4	60.5	0	0	0	109	Y695	H681-Y695 PolarHBondContact N-OH 3.38Å; H681-Y695 WeakPolarHBondContact O-CE2 3.31Å; H681-Y695 PolarHBondContact O-OH 3.49Å
682	C	85.1	Confident	84.5	Confident	19 Å²	19	70.7 Å²	70.7	13%	0.128	38%	0.377	C	S	.	.			trans	-122.1	149.2	173.7	-67.4	0	0	0	0	108.7	F680 K686 C697	F680-C682 HydrophobicContact CD2-CB 4.17Å; F680-C682 HydrophobicContact CE2-CB 4.4Å; C682-K686 HydrophobicContact CB-CB 4.06Å; C682-C697 WeakPolarHBondContact CA-SG 3.25Å; C682-C697 HydrophobicContact CB-CB 3.75Å; C682-C697 WeakPolarHBondContact CB-SG 3.03Å; C682-C697 WeakPolarHBondContact SG-CB 3.32Å; C682-C697 CovalentContact SG-SG 2.04Å; C682-C697 PolarHBondContact SG-SG 2.87Å
683	D	84.9	Confident	84.4	Confident	98 Å²	98	70 Å²	70	52%	0.524	38%	0.379	S	S	.	.			trans	-60.4	153.9	175.1	-46.2	-65.2	0	0	0	111.4	G685 K686	D683-G685 PolarHBondContact O-N 2.85Å; D683-K686 HydrophobicContact CB-CD 4.12Å; D683-K686 WeakPolarHBondContact O-CB 3.06Å; D683-K686 PolarHBondContact O-N 2.88Å; D683-K686 IonicContact OD2-NZ 2.79Å; D683-K686 PolarHBondContact OD2-NZ 3.26Å
684	D	74.8	Confident	84.3	Confident	178 Å²	178	70.6 Å²	70.6	95%	0.952	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	127	173.7	-70.5	-43.4	0	0	0	111
685	G	77.2	Confident	84.4	Confident	52 Å²	52	72.8 Å²	72.8	54%	0.536	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-0.8	-175.7	0	0	0	0	0	115.5	D683 S700	D683-G685 PolarHBondContact O-N 2.85Å; G685-S700 WeakPolarHBondContact O-CB 3.47Å; G685-S700 PolarHBondContact O-N 3.06Å
686	K	86.9	Confident	84.6	Confident	65 Å²	65	78.6 Å²	78.6	28%	0.283	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150	175.8	-64.9	175.2	-170.8	169.6	0	113.1	C682 D683 C697 T698 E699	C682-K686 HydrophobicContact CB-CB 4.06Å; D683-K686 HydrophobicContact CB-CD 4.12Å; D683-K686 WeakPolarHBondContact O-CB 3.06Å; D683-K686 PolarHBondContact O-N 2.88Å; D683-K686 IonicContact OD2-NZ 2.79Å; D683-K686 PolarHBondContact OD2-NZ 3.26Å; K686-C697 HydrophobicContact CB-CB 4.17Å; K686-C697 HydrophobicContact CD-CB 4.18Å; K686-T698 CarbonylContact C-O 3.56Å; K686-T698 WeakPolarHBondContact CA-O 3.49Å; K686-T698 WeakPolarHBondContact CB-O 3.41Å; K686-E699 WeakPolarHBondContact CE-OE1 3.47Å
687	I	87.7	Confident	84.9	Confident	22 Å²	22	76.5 Å²	76.5	11%	0.113	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	147.9	174	60.1	174.4	0	0	0	111.6	C697 T698 Y708 Y710	I687-C697 WeakPolarHBondContact O-CA 3.47Å; I687-T698 HydrophobicContact CD1-CG2 4.22Å; I687-T698 HydrophobicContact CG1-CG2 3.7Å; I687-T698 PolarHBondContact N-O 3.33Å; I687-T698 PolarHBondContact O-N 3.35Å; I687-Y708 HydrophobicContact CD1-CD2 4.29Å; I687-Y708 HydrophobicContact CD1-CE1 4.47Å; I687-Y708 HydrophobicContact CD1-CE2 4.09Å; I687-Y708 HydrophobicContact CG2-CD1 4.23Å; I687-Y708 HydrophobicContact CG2-CD2 4.17Å; I687-Y708 HydrophobicContact CG2-CG 3.78Å; I687-Y710 WeakPolarHBondContact CA-OH 3.27Å; I687-Y710 HydrophobicContact CB-CE1 4.38Å
688	C	90	Very high	85.3	Confident	7 Å²	7	74.9 Å²	74.9	5%	0.047	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.8	177.5	-180	0	0	0	0	112	C675 F680 Y710	C675-C688 WeakPolarHBondContact CA-SG 3.35Å; C675-C688 HydrophobicContact CB-CB 3.73Å; C675-C688 WeakPolarHBondContact CB-SG 3.37Å; C675-C688 WeakPolarHBondContact SG-CB 3.36Å; C675-C688 CovalentContact SG-SG 2.04Å; C675-C688 PolarHBondContact SG-SG 3.36Å; F680-C688 HydrophobicContact CB-CB 4.24Å; F680-C688 HydrophobicContact CD1-CB 3.73Å; F680-C688 HydrophobicContact CD2-CB 3.74Å; F680-C688 HydrophobicContact CE1-CB 3.92Å; F680-C688 HydrophobicContact CE2-CB 3.94Å; F680-C688 HydrophobicContact CG-CB 3.64Å; F680-C688 VanDerWaalsContact CG-SG 3.6Å; F680-C688 HydrophobicContact CZ-CB 4.03Å; C688-Y710 HydrophobicContact CB-CE1 3.78Å; C688-Y710 PolarHBondContact N-OH 3.45Å; C688-Y710 WeakPolarHBondContact O-CE1 3.18Å
689	V	89	Confident	85.8	Confident	47 Å²	47	73.2 Å²	73.2	29%	0.285	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.6	167.8	-174.4	0	0	0	0	109.1	C675 Y695 Y696 T698	C675-V689 PolarHBondContact SG-N 3.1Å; C675-V689 VanDerWaalsContact SG-N 3.38Å; V689-Y695 WeakPolarHBondContact O-CA 3.43Å; V689-Y696 HydrophobicContact CB-CD1 4.05Å; V689-Y696 HydrophobicContact CB-CD2 4.46Å; V689-Y696 HydrophobicContact CB-CE1 3.64Å; V689-Y696 HydrophobicContact CB-CE2 4.07Å; V689-Y696 HydrophobicContact CB-CG 4.45Å; V689-Y696 HydrophobicContact CG1-CD1 4.37Å; V689-Y696 HydrophobicContact CG1-CE1 3.58Å; V689-Y696 HydrophobicContact CG2-CE1 4.47Å; V689-Y696 HydrophobicContact CG2-CE2 4.1Å; V689-Y696 PolarHBondContact N-O 3.33Å; V689-Y696 PolarHBondContact O-N 3.35Å; V689-T698 HydrophobicContact CG2-CG2 3.91Å
690	N	84.6	Confident	85.8	Confident	41 Å²	41	71.8 Å²	71.8	22%	0.219	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	144	-178.5	-176.5	33.1	0	0	0	111.9	D671 D673 C675	D671-N690 PolarHBondContact OD2-ND2 2.6Å; D673-N690 WeakPolarHBondContact CA-ND2 3.24Å; D673-N690 PolarHBondContact OD2-ND2 3.37Å; D673-N690 VanDerWaalsContact OD2-ND2 3.14Å; C675-N690 PolarHBondContact SG-N 3.13Å
691	T	87.5	Confident	85.8	Confident	59 Å²	59	75.3 Å²	75.3	36%	0.362	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.4	172.2	72.5	0	0	0	0	110	G693 S694 Y696	T691-G693 PolarHBondContact O-N 3.19Å; T691-S694 CarbonylContact C-O 3.56Å; T691-S694 VanDerWaalsContact C-O 3.27Å; T691-S694 VanDerWaalsContact CA-O 3.25Å; T691-S694 WeakPolarHBondContact CA-O 3.02Å; T691-S694 WeakPolarHBondContact CB-O 3.32Å; T691-S694 PolarHBondContact N-O 3.39Å; T691-S694 PolarHBondContact O-N 3.38Å; T691-S694 PolarHBondContact OG1-O 3.44Å; T691-Y696 HydrophobicContact CG2-CD1 3.7Å; T691-Y696 HydrophobicContact CG2-CE1 3.89Å
692	L	86.2	Confident	85.8	Confident	155 Å²	155	68.9 Å²	68.9	81%	0.812	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	105.7	-174	-175.2	65.3	0	0	0	112.1	D671	D671-L692 HydrophobicContact CB-CD1 4.13Å; D671-L692 WeakPolarHBondContact OD1-CA 3.24Å
693	G	82.7	Confident	85.6	Confident	23 Å²	23	70.3 Å²	70.3	24%	0.237	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	10.6	-178.3	0	0	0	0	0	116.3	D671 T691	D671-G693 PolarHBondContact OD1-N 2.65Å; T691-G693 PolarHBondContact O-N 3.19Å
694	S	87.3	Confident	85.2	Confident	61 Å²	61	72.9 Å²	72.9	43%	0.427	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173	166	175.3	-146.6	0	0	0	0	113	T691	T691-S694 CarbonylContact C-O 3.56Å; T691-S694 VanDerWaalsContact C-O 3.27Å; T691-S694 VanDerWaalsContact CA-O 3.25Å; T691-S694 WeakPolarHBondContact CA-O 3.02Å; T691-S694 WeakPolarHBondContact CB-O 3.32Å; T691-S694 PolarHBondContact N-O 3.39Å; T691-S694 PolarHBondContact O-N 3.38Å; T691-S694 PolarHBondContact OG1-O 3.44Å
695	Y	89.9	Confident	85.2	Confident	64 Å²	64	67.2 Å²	67.2	25%	0.251	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	162.4	169.4	65.6	-82.6	0	0	0	112.2	E674 F680 H681 V689	E674-Y695 HydrophobicContact CB-CD1 3.84Å; E674-Y695 HydrophobicContact CB-CG 4.41Å; E674-Y695 HydrophobicContact CG-CD1 4.03Å; E674-Y695 WeakPolarHBondContact OE2-CB 3.47Å; E674-Y695 WeakPolarHBondContact OE2-CD1 3.34Å; E674-Y695 PolarHBondContact OE2-N 3.46Å; E674-Y695 VanDerWaalsContact OE2-N 3.1Å; F680-Y695 HydrophobicContact CB-CD1 3.97Å; F680-Y695 HydrophobicContact CB-CD2 3.74Å; F680-Y695 HydrophobicContact CB-CE1 3.92Å; F680-Y695 HydrophobicContact CB-CE2 3.7Å; F680-Y695 HydrophobicContact CB-CG 3.9Å; H681-Y695 PolarHBondContact N-OH 3.38Å; H681-Y695 WeakPolarHBondContact O-CE2 3.31Å; H681-Y695 PolarHBondContact O-OH 3.49Å; V689-Y695 WeakPolarHBondContact O-CA 3.43Å
696	Y	92.1	Very high	85.5	Confident	128 Å²	128	66 Å²	66	50%	0.502	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.4	161.3	74.4	-88.7	0	0	0	111.4	V689 T691	V689-Y696 HydrophobicContact CB-CD1 4.05Å; V689-Y696 HydrophobicContact CB-CD2 4.46Å; V689-Y696 HydrophobicContact CB-CE1 3.64Å; V689-Y696 HydrophobicContact CB-CE2 4.07Å; V689-Y696 HydrophobicContact CB-CG 4.45Å; V689-Y696 HydrophobicContact CG1-CD1 4.37Å; V689-Y696 HydrophobicContact CG1-CE1 3.58Å; V689-Y696 HydrophobicContact CG2-CE1 4.47Å; V689-Y696 HydrophobicContact CG2-CE2 4.1Å; V689-Y696 PolarHBondContact N-O 3.33Å; V689-Y696 PolarHBondContact O-N 3.35Å; T691-Y696 HydrophobicContact CG2-CD1 3.7Å; T691-Y696 HydrophobicContact CG2-CE1 3.89Å
697	C	90.7	Very high	85.2	Confident	46 Å²	46	66.9 Å²	66.9	31%	0.311	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.5	-179.9	-55.4	0	0	0	0	110.5	C682 K686 I687	C682-C697 WeakPolarHBondContact CA-SG 3.25Å; C682-C697 HydrophobicContact CB-CB 3.75Å; C682-C697 WeakPolarHBondContact CB-SG 3.03Å; C682-C697 WeakPolarHBondContact SG-CB 3.32Å; C682-C697 CovalentContact SG-SG 2.04Å; C682-C697 PolarHBondContact SG-SG 2.87Å; K686-C697 HydrophobicContact CB-CB 4.17Å; K686-C697 HydrophobicContact CD-CB 4.18Å; I687-C697 WeakPolarHBondContact O-CA 3.47Å
698	T	89.8	Confident	85	Confident	60 Å²	60	68.1 Å²	68.1	37%	0.368	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.6	175.2	-164.7	0	0	0	0	110.7	K686 I687 V689 S700	K686-T698 CarbonylContact C-O 3.56Å; K686-T698 WeakPolarHBondContact CA-O 3.49Å; K686-T698 WeakPolarHBondContact CB-O 3.41Å; I687-T698 HydrophobicContact CD1-CG2 4.22Å; I687-T698 HydrophobicContact CG1-CG2 3.7Å; I687-T698 PolarHBondContact N-O 3.33Å; I687-T698 PolarHBondContact O-N 3.35Å; V689-T698 HydrophobicContact CG2-CG2 3.91Å; T698-S700 PolarHBondContact O-N 2.95Å
699	E	87.1	Confident	84.6	Confident	133 Å²	133	70.1 Å²	70.1	62%	0.621	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.9	-176.2	-57.6	-55.4	138.2	0	0	111.7	K686	K686-E699 WeakPolarHBondContact CE-OE1 3.47Å
700	S	80.1	Confident	84.3	Confident	39 Å²	39	70 Å²	70	27%	0.273	38%	0.38	S	S	.	.			trans	-73.4	146.7	176.8	-172.1	0	0	0	0	111.7	G685 T698 C702	G685-S700 WeakPolarHBondContact O-CB 3.47Å; G685-S700 PolarHBondContact O-N 3.06Å; T698-S700 PolarHBondContact O-N 2.95Å; S700-C702 WeakPolarHBondContact OG-CB 3.46Å; S700-C702 PolarHBondContact OG-N 3.2Å; S700-C702 VanDerWaalsContact OG-N 3.12Å
701	N	84.1	Confident	83.9	Confident	127 Å²	127	75.7 Å²	75.7	68%	0.679	41%	0.406	S	S	*	.			trans	-98.9	6.3	168.5	66.1	-24.2	0	0	0	113.4	C715	N701-C715 PolarHBondContact OD1-SG 3.36Å
702	C	83.4	Confident	83.6	Confident	22 Å²	22	78.5 Å²	78.5	15%	0.149	42%	0.415	C	S	.	.	S	Bend	trans	-87.2	150.8	177.3	-52.2	0	0	0	0	111.8	S700 Q706 C715	S700-C702 WeakPolarHBondContact OG-CB 3.46Å; S700-C702 PolarHBondContact OG-N 3.2Å; S700-C702 VanDerWaalsContact OG-N 3.12Å; C702-Q706 HydrophobicContact CB-CB 3.82Å; C702-C715 WeakPolarHBondContact CA-SG 3.33Å; C702-C715 HydrophobicContact CB-CB 3.79Å; C702-C715 WeakPolarHBondContact CB-SG 3.19Å; C702-C715 PolarHBondContact N-SG 3.48Å; C702-C715 VanDerWaalsContact N-SG 3.45Å; C702-C715 VanDerWaalsContact SG-CA 3.59Å; C702-C715 WeakPolarHBondContact SG-CB 3.44Å; C702-C715 CovalentContact SG-SG 2.04Å; C702-C715 PolarHBondContact SG-SG 2.93Å
703	T	81.7	Confident	83.4	Confident	49 Å²	49	80.6 Å²	80.6	30%	0.301	41%	0.412	S	S	.	.			trans	-72.5	164.3	170.3	61.4	0	0	0	0	111.2	T705 Q706 N726	T703-T705 PolarHBondContact O-N 3.41Å; T703-Q706 PolarHBondContact O-N 3.42Å; T703-Q706 VanDerWaalsContact OG1-CG 3.28Å; T703-Q706 WeakPolarHBondContact OG1-CG 3.41Å; T703-N726 HydrophobicContact CG2-CB 4.19Å; T703-N726 WeakPolarHBondContact CG2-O 3.08Å; T703-N726 PolarHBondContact OG1-O 3.45Å
704	T	76.3	Confident	83.5	Confident	152 Å²	152	84.1 Å²	84.1	93%	0.933	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-9	-178.5	45.5	0	0	0	0	115.1
705	T	75.5	Confident	83.5	Confident	59 Å²	59	82.6 Å²	82.6	36%	0.362	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-4.9	175.3	56.6	0	0	0	0	113	T703 E727 C728	T703-T705 PolarHBondContact O-N 3.41Å; T705-E727 WeakPolarHBondContact OG1-CA 3.21Å; T705-C728 VanDerWaalsContact O-CB 3.28Å; T705-C728 WeakPolarHBondContact O-CB 3.37Å; T705-C728 PolarHBondContact O-SG 3.05Å; T705-C728 PolarHBondContact OG1-N 3.36Å
706	Q	82.7	Confident	83.3	Confident	27 Å²	27	81.1 Å²	81.1	13%	0.126	41%	0.407	C	S	.	.			trans	-104.8	150.7	-177.3	-73.4	172.3	0.1	0	0	112.3	C702 T703 C715 T716 N726 C728	C702-Q706 HydrophobicContact CB-CB 3.82Å; T703-Q706 PolarHBondContact O-N 3.42Å; T703-Q706 VanDerWaalsContact OG1-CG 3.28Å; T703-Q706 WeakPolarHBondContact OG1-CG 3.41Å; Q706-C715 HydrophobicContact CB-CB 4.31Å; Q706-C715 VanDerWaalsContact OE1-CB 3.29Å; Q706-T716 CarbonylContact C-O 3.27Å; Q706-T716 VanDerWaalsContact CA-O 3.26Å; Q706-T716 WeakPolarHBondContact CA-O 3.33Å; Q706-T716 WeakPolarHBondContact CB-O 3.37Å; Q706-N726 PolarHBondContact NE2-O 3.26Å; Q706-C728 VanDerWaalsContact CG-SG 3.59Å
707	I	80.3	Confident	83	Confident	84 Å²	84	76.2 Å²	76.2	43%	0.431	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.8	173.9	-57.6	-170.3	0	0	0	109.8	D709 T716 E718	I707-D709 PolarHBondContact O-N 2.65Å; I707-T716 PolarHBondContact N-O 3.01Å; I707-T716 PolarHBondContact O-N 2.73Å; I707-T716 PolarHBondContact O-OG1 3.46Å; I707-E718 HydrophobicContact CD1-CG 3.46Å; I707-E718 VanDerWaalsContact CD1-CG 3.46Å; I707-E718 HydrophobicContact CG1-CG 4.34Å
708	Y	83.7	Confident	82.6	Confident	48 Å²	48	79.5 Å²	79.5	19%	0.188	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.3	173.4	-165.8	-94.7	0	0	0	110.8	I687 Y710 R713	I687-Y708 HydrophobicContact CD1-CD2 4.29Å; I687-Y708 HydrophobicContact CD1-CE1 4.47Å; I687-Y708 HydrophobicContact CD1-CE2 4.09Å; I687-Y708 HydrophobicContact CG2-CD1 4.23Å; I687-Y708 HydrophobicContact CG2-CD2 4.17Å; I687-Y708 HydrophobicContact CG2-CG 3.78Å; Y708-Y710 AromaticContact CD1-CD1 3.79Å; Y708-Y710 HydrophobicContact CD1-CD1 3.79Å; Y708-Y710 HydrophobicContact CD1-CD2 4.4Å; Y708-Y710 AromaticContact CD1-CE1 3.77Å; Y708-Y710 HydrophobicContact CD1-CE1 3.77Å; Y708-Y710 HydrophobicContact CD1-CE2 4.4Å; Y708-Y710 HydrophobicContact CD1-CG 4.11Å; Y708-Y710 AromaticContact CE1-CD1 3.94Å; Y708-Y710 HydrophobicContact CE1-CD1 3.94Å; Y708-Y710 HydrophobicContact CE1-CE1 4.16Å; Y708-Y710 HydrophobicContact CE1-CG 4.49Å; Y708-Y710 PolarHBondContact O-N 2.03Å; Y708-R713 VanDerWaalsContact OH-C 3.3Å; Y708-R713 WeakPolarHBondContact OH-CA 3.33Å; Y708-R713 PolarHBondContact OH-O 2.74Å
709	D	82.9	Confident	82.2	Confident	49 Å²	49	86.4 Å²	86.4	26%	0.262	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	111.8	171.3	-174.3	-29.3	0	0	0	109	I707 Q711 E712 R713 K714 T716	I707-D709 PolarHBondContact O-N 2.65Å; D709-Q711 VanDerWaalsContact C-N 3.33Å; D709-Q711 WeakPolarHBondContact OD1-CA 3.46Å; D709-Q711 WeakPolarHBondContact OD1-CB 3.38Å; D709-Q711 PolarHBondContact OD1-N 3.33Å; D709-E712 HydrophobicContact CB-CB 4.16Å; D709-E712 PolarHBondContact OD1-N 3.29Å; D709-R713 WeakPolarHBondContact O-CA 3.36Å; D709-R713 PolarHBondContact O-N 2.91Å; D709-K714 WeakPolarHBondContact CB-O 3.5Å; D709-K714 PolarHBondContact N-O 2.88Å; D709-K714 PolarHBondContact O-N 2.72Å; D709-T716 HydrophobicContact CB-CG2 3.9Å
710	Y	82	Confident	81.9	Confident	43 Å²	43	80.6 Å²	80.6	17%	0.169	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.4	-179.8	-69.6	-80.1	0	0	0	114	C675 F680 I687 C688 Y708	C675-Y710 HydrophobicContact CB-CD1 3.94Å; C675-Y710 HydrophobicContact CB-CE1 4.23Å; F680-Y710 HydrophobicContact CE1-CE2 4.01Å; F680-Y710 AromaticContact CZ-CE2 3.74Å; F680-Y710 HydrophobicContact CZ-CE2 3.74Å; F680-Y710 AromaticContact CZ-CZ 3.73Å; F680-Y710 WeakPolarHBondContact CZ-OH 3.49Å; I687-Y710 WeakPolarHBondContact CA-OH 3.27Å; I687-Y710 HydrophobicContact CB-CE1 4.38Å; C688-Y710 HydrophobicContact CB-CE1 3.78Å; C688-Y710 PolarHBondContact N-OH 3.45Å; C688-Y710 WeakPolarHBondContact O-CE1 3.18Å; Y708-Y710 AromaticContact CD1-CD1 3.79Å; Y708-Y710 HydrophobicContact CD1-CD1 3.79Å; Y708-Y710 HydrophobicContact CD1-CD2 4.4Å; Y708-Y710 AromaticContact CD1-CE1 3.77Å; Y708-Y710 HydrophobicContact CD1-CE1 3.77Å; Y708-Y710 HydrophobicContact CD1-CE2 4.4Å; Y708-Y710 HydrophobicContact CD1-CG 4.11Å; Y708-Y710 AromaticContact CE1-CD1 3.94Å; Y708-Y710 HydrophobicContact CE1-CD1 3.94Å; Y708-Y710 HydrophobicContact CE1-CE1 4.16Å; Y708-Y710 HydrophobicContact CE1-CG 4.49Å; Y708-Y710 PolarHBondContact O-N 2.03Å
711	Q	77.1	Confident	82.2	Confident	162 Å²	162	81.8 Å²	81.8	76%	0.757	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-47.2	175.1	-64	-175.5	-16.6	0	0	110.2	L676 D709	L676-Q711 HydrophobicContact CD2-CG 4.03Å; D709-Q711 VanDerWaalsContact C-N 3.33Å; D709-Q711 WeakPolarHBondContact OD1-CA 3.46Å; D709-Q711 WeakPolarHBondContact OD1-CB 3.38Å; D709-Q711 PolarHBondContact OD1-N 3.33Å
712	E	81.2	Confident	82.3	Confident	118 Å²	118	80.3 Å²	80.3	55%	0.551	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.6	-178.7	-68.2	-78.4	130.8	0	0	114.1	D709 K714	D709-E712 HydrophobicContact CB-CB 4.16Å; D709-E712 PolarHBondContact OD1-N 3.29Å; E712-K714 VanDerWaalsContact C-N 3.3Å; E712-K714 HydrophobicContact CB-CD 3.75Å; E712-K714 VanDerWaalsContact CB-CE 3.44Å; E712-K714 HydrophobicContact CB-CG 3.9Å; E712-K714 PolarHBondContact O-N 2.78Å; E712-K714 IonicContact OE2-NZ 2.65Å; E712-K714 PolarHBondContact OE2-NZ 3.4Å
713	R	80.9	Confident	82.3	Confident	199 Å²	199	83.4 Å²	83.4	75%	0.751	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	37.2	179.3	-60.9	-176.7	175.7	-170.3	-3.7	114.7	Y708 D709	Y708-R713 VanDerWaalsContact OH-C 3.3Å; Y708-R713 WeakPolarHBondContact OH-CA 3.33Å; Y708-R713 PolarHBondContact OH-O 2.74Å; D709-R713 WeakPolarHBondContact O-CA 3.36Å; D709-R713 PolarHBondContact O-N 2.91Å
714	K	85.9	Confident	82.3	Confident	96 Å²	96	85.9 Å²	85.9	42%	0.417	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.6	-172.9	72.6	-164.4	-179.2	-161.3	0	112.4	D709 E712 T716	D709-K714 WeakPolarHBondContact CB-O 3.5Å; D709-K714 PolarHBondContact N-O 2.88Å; D709-K714 PolarHBondContact O-N 2.72Å; E712-K714 VanDerWaalsContact C-N 3.3Å; E712-K714 HydrophobicContact CB-CD 3.75Å; E712-K714 VanDerWaalsContact CB-CE 3.44Å; E712-K714 HydrophobicContact CB-CG 3.9Å; E712-K714 PolarHBondContact O-N 2.78Å; E712-K714 IonicContact OE2-NZ 2.65Å; E712-K714 PolarHBondContact OE2-NZ 3.4Å; K714-T716 HydrophobicContact CG-CG2 3.88Å
715	C	86.3	Confident	82.5	Confident	30 Å²	30	87.7 Å²	87.7	20%	0.203	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	137	170.9	-55.8	0	0	0	0	110.9	N701 C702 Q706	N701-C715 PolarHBondContact OD1-SG 3.36Å; C702-C715 WeakPolarHBondContact CA-SG 3.33Å; C702-C715 HydrophobicContact CB-CB 3.79Å; C702-C715 WeakPolarHBondContact CB-SG 3.19Å; C702-C715 PolarHBondContact N-SG 3.48Å; C702-C715 VanDerWaalsContact N-SG 3.45Å; C702-C715 VanDerWaalsContact SG-CA 3.59Å; C702-C715 WeakPolarHBondContact SG-CB 3.44Å; C702-C715 CovalentContact SG-SG 2.04Å; C702-C715 PolarHBondContact SG-SG 2.93Å; Q706-C715 HydrophobicContact CB-CB 4.31Å; Q706-C715 VanDerWaalsContact OE1-CB 3.29Å
716	T	86.3	Confident	82.6	Confident	33 Å²	33	90.1 Å²	90.1	20%	0.202	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	176.2	-176.4	61.9	0	0	0	0	110	Q706 I707 D709 K714	Q706-T716 CarbonylContact C-O 3.27Å; Q706-T716 VanDerWaalsContact CA-O 3.26Å; Q706-T716 WeakPolarHBondContact CA-O 3.33Å; Q706-T716 WeakPolarHBondContact CB-O 3.37Å; I707-T716 PolarHBondContact N-O 3.01Å; I707-T716 PolarHBondContact O-N 2.73Å; I707-T716 PolarHBondContact O-OG1 3.46Å; D709-T716 HydrophobicContact CB-CG2 3.9Å; K714-T716 HydrophobicContact CG-CG2 3.88Å
717	C	85.5	Confident	82.5	Confident	25 Å²	25	94.4 Å²	94.4	17%	0.169	44%	0.441	C	S	.	.			trans	-105.9	161.4	169.3	-56.7	0	0	0	0	111	R722 I723 C728	C717-R722 VanDerWaalsContact SG-C 3.53Å; C717-I723 WeakPolarHBondContact SG-CG1 3.4Å; C717-I723 PolarHBondContact SG-N 2.78Å; C717-C728 WeakPolarHBondContact CA-SG 3.23Å; C717-C728 HydrophobicContact CB-CB 3.71Å; C717-C728 WeakPolarHBondContact CB-SG 3.44Å; C717-C728 VanDerWaalsContact SG-CA 3.58Å; C717-C728 WeakPolarHBondContact SG-CB 3.39Å; C717-C728 CovalentContact SG-SG 2.03Å; C717-C728 PolarHBondContact SG-SG 3.18Å
718	E	81.7	Confident	82.7	Confident	115 Å²	115	91.1 Å²	91.1	54%	0.537	43%	0.425	S	S	.	.			trans	-61.1	158.9	166.1	-70.1	-156.4	129.5	0	0	112	I707 G720 Y721	I707-E718 HydrophobicContact CD1-CG 3.46Å; I707-E718 VanDerWaalsContact CD1-CG 3.46Å; I707-E718 HydrophobicContact CG1-CG 4.34Å; E718-G720 PolarHBondContact O-N 3.36Å; E718-Y721 HydrophobicContact CB-CD2 3.83Å; E718-Y721 HydrophobicContact CB-CE2 4.09Å; E718-Y721 PolarHBondContact O-N 3.22Å; E718-Y721 VanDerWaalsContact O-N 3.12Å
719	K	81.4	Confident	82.9	Confident	204 Å²	204	91 Å²	91	89%	0.887	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	134.2	170.3	-67.6	-174.1	176.7	-176.9	0	109.1
720	G	81.1	Confident	83	Confident	12 Å²	12	90.8 Å²	90.8	12%	0.124	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.6	-9.8	-170.2	0	0	0	0	0	114	E718 I731	E718-G720 PolarHBondContact O-N 3.36Å; G720-I731 WeakPolarHBondContact O-CB 3.42Å; G720-I731 WeakPolarHBondContact O-CG1 3.5Å; G720-I731 PolarHBondContact O-N 3.29Å
721	Y	86.6	Confident	83.2	Confident	63 Å²	63	90.2 Å²	90.2	25%	0.247	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.2	-177.4	-58.5	-98.3	0	0	0	112.8	E718 V729 I751	E718-Y721 HydrophobicContact CB-CD2 3.83Å; E718-Y721 HydrophobicContact CB-CE2 4.09Å; E718-Y721 PolarHBondContact O-N 3.22Å; E718-Y721 VanDerWaalsContact O-N 3.12Å; Y721-V729 CarbonylContact C-O 3.28Å; Y721-V729 VanDerWaalsContact CA-O 3.29Å; Y721-V729 WeakPolarHBondContact CA-O 3.07Å; Y721-I751 HydrophobicContact CE1-CG2 4.18Å; Y721-I751 VanDerWaalsContact OH-CG2 3.24Å; Y721-I751 WeakPolarHBondContact OH-CG2 3.47Å
722	R	86.6	Confident	83.6	Confident	97 Å²	97	84.8 Å²	84.8	37%	0.366	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.7	173	60.2	175.6	162.4	-144.6	-18	111.3	C717 L724 C728 V729 I731 E736	C717-R722 VanDerWaalsContact SG-C 3.53Å; R722-L724 PolarHBondContact O-N 2.77Å; R722-C728 CarbonylContact O-C 3.52Å; R722-C728 WeakPolarHBondContact O-CA 3.05Å; R722-V729 HydrophobicContact CG-CG2 3.61Å; R722-V729 PolarHBondContact N-O 3.24Å; R722-V729 PolarHBondContact O-N 3.02Å; R722-I731 HydrophobicContact CB-CD1 4.17Å; R722-I731 HydrophobicContact CB-CG1 4.05Å; R722-I731 HydrophobicContact CG-CG1 3.99Å; R722-E736 IonicContact CZ-OE1 3.13Å; R722-E736 IonicContact NH1-OE1 3.75Å; R722-E736 PolarHBondContact NH1-OE1 2.73Å; R722-E736 IonicContact NH1-OE2 3.34Å; R722-E736 PolarHBondContact NH1-OE2 3.02Å; R722-E736 IonicContact NH2-OE1 3.96Å; R722-E736 PolarHBondContact NH2-OE1 2.56Å
723	I	82.2	Confident	84	Confident	87 Å²	87	80.4 Å²	80.4	45%	0.446	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124	170.8	-55.9	174.1	0	0	0	108.9	C717 E727	C717-I723 WeakPolarHBondContact SG-CG1 3.4Å; C717-I723 PolarHBondContact SG-N 2.78Å; I723-E727 CarbonylContact C-O 3.58Å; I723-E727 WeakPolarHBondContact CA-O 3.46Å
724	L	82.5	Confident	84.2	Confident	100 Å²	100	72.3 Å²	72.3	52%	0.524	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122	168.5	-172.6	72.5	0	0	0	107.4	R722 N726 E727 V729	R722-L724 PolarHBondContact O-N 2.77Å; L724-N726 PolarHBondContact O-N 2.03Å; L724-N726 VanDerWaalsContact O-N 3.13Å; L724-E727 PolarHBondContact N-O 2.92Å; L724-E727 PolarHBondContact O-N 3.02Å; L724-E727 VanDerWaalsContact O-O 3.07Å; L724-V729 HydrophobicContact CB-CG1 4.16Å; L724-V729 HydrophobicContact CB-CG2 3.7Å; L724-V729 HydrophobicContact CD2-CG1 4.34Å; L724-V729 HydrophobicContact CD2-CG2 4.12Å
725	E	81	Confident	84.2	Confident	191 Å²	191	71.9 Å²	71.9	89%	0.893	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	38.8	178.8	-57.3	-169.6	162.1	0	0	114.7	E727	E725-E727 VanDerWaalsContact C-N 3.27Å; E725-E727 PolarHBondContact O-N 3.29Å
726	N	77.7	Confident	84.1	Confident	109 Å²	109	73.5 Å²	73.5	58%	0.583	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	4.8	-173.5	-80.3	-2.1	0	0	0	116.9	T703 Q706 L724	T703-N726 HydrophobicContact CG2-CB 4.19Å; T703-N726 WeakPolarHBondContact CG2-O 3.08Å; T703-N726 PolarHBondContact OG1-O 3.45Å; Q706-N726 PolarHBondContact NE2-O 3.26Å; L724-N726 PolarHBondContact O-N 2.03Å; L724-N726 VanDerWaalsContact O-N 3.13Å
727	E	79.9	Confident	83.6	Confident	118 Å²	118	78.3 Å²	78.3	55%	0.551	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	152	168.6	-61.7	-165.4	152.9	0	0	111.7	T705 I723 L724 E725	T705-E727 WeakPolarHBondContact OG1-CA 3.21Å; I723-E727 CarbonylContact C-O 3.58Å; I723-E727 WeakPolarHBondContact CA-O 3.46Å; L724-E727 PolarHBondContact N-O 2.92Å; L724-E727 PolarHBondContact O-N 3.02Å; L724-E727 VanDerWaalsContact O-O 3.07Å; E725-E727 VanDerWaalsContact C-N 3.27Å; E725-E727 PolarHBondContact O-N 3.29Å
728	C	85.1	Confident	83.3	Confident	15 Å²	15	82.5 Å²	82.5	10%	0.101	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105.6	174.6	-68.4	0	0	0	0	110.5	T705 Q706 C717 R722	T705-C728 VanDerWaalsContact O-CB 3.28Å; T705-C728 WeakPolarHBondContact O-CB 3.37Å; T705-C728 PolarHBondContact O-SG 3.05Å; T705-C728 PolarHBondContact OG1-N 3.36Å; Q706-C728 VanDerWaalsContact CG-SG 3.59Å; C717-C728 WeakPolarHBondContact CA-SG 3.23Å; C717-C728 HydrophobicContact CB-CB 3.71Å; C717-C728 WeakPolarHBondContact CB-SG 3.44Å; C717-C728 VanDerWaalsContact SG-CA 3.58Å; C717-C728 WeakPolarHBondContact SG-CB 3.39Å; C717-C728 CovalentContact SG-SG 2.03Å; C717-C728 PolarHBondContact SG-SG 3.18Å; R722-C728 CarbonylContact O-C 3.52Å; R722-C728 WeakPolarHBondContact O-CA 3.05Å
729	V	86.4	Confident	82.8	Confident	46 Å²	46	79.6 Å²	79.6	28%	0.279	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146.4	178.7	-58.3	0	0	0	0	111.3	Y721 R722 L724	Y721-V729 CarbonylContact C-O 3.28Å; Y721-V729 VanDerWaalsContact CA-O 3.29Å; Y721-V729 WeakPolarHBondContact CA-O 3.07Å; R722-V729 HydrophobicContact CG-CG2 3.61Å; R722-V729 PolarHBondContact N-O 3.24Å; R722-V729 PolarHBondContact O-N 3.02Å; L724-V729 HydrophobicContact CB-CG1 4.16Å; L724-V729 HydrophobicContact CB-CG2 3.7Å; L724-V729 HydrophobicContact CD2-CG1 4.34Å; L724-V729 HydrophobicContact CD2-CG2 4.12Å
730	D	85.9	Confident	82.8	Confident	44 Å²	44	77.2 Å²	77.2	24%	0.235	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	139.4	177	-164.9	54.4	0	0	0	111.4	N749 I751 G752	D730-N749 PolarHBondContact OD2-ND2 2.64Å; D730-I751 WeakPolarHBondContact OD1-CA 3.25Å; D730-G752 PolarHBondContact OD1-N 3.07Å
731	I	86.1	Confident	82.6	Confident	30 Å²	30	78 Å²	78	15%	0.154	40%	0.397	C	S	.	.			trans	-95.9	104	170.4	-56.1	171.8	0	0	0	107.1	G720 R722 E733 K738	G720-I731 WeakPolarHBondContact O-CB 3.42Å; G720-I731 WeakPolarHBondContact O-CG1 3.5Å; G720-I731 PolarHBondContact O-N 3.29Å; R722-I731 HydrophobicContact CB-CD1 4.17Å; R722-I731 HydrophobicContact CB-CG1 4.05Å; R722-I731 HydrophobicContact CG-CG1 3.99Å; I731-E733 VanDerWaalsContact C-N 3.31Å; I731-E733 HydrophobicContact CG2-CG 4.03Å; I731-E733 VanDerWaalsContact O-CD 3.29Å; I731-E733 PolarHBondContact O-N 3.47Å; I731-K738 HydrophobicContact CG2-CD 4.33Å
732	D	85.5	Confident	82.1	Confident	49 Å²	49	78.8 Å²	78.8	26%	0.262	41%	0.409	S	S	.	.			trans	-70.1	88.7	172.5	-176.5	-10.9	0	0	0	110.2	C734 S735 E736 N749	D732-C734 PolarHBondContact O-N 3Å; D732-C734 WeakPolarHBondContact OD1-CA 3.42Å; D732-C734 WeakPolarHBondContact OD1-CB 3.45Å; D732-C734 PolarHBondContact OD1-N 3.16Å; D732-C734 VanDerWaalsContact OD1-N 3.1Å; D732-S735 VanDerWaalsContact CG-CB 3.44Å; D732-S735 VanDerWaalsContact CG-OG 3.25Å; D732-S735 PolarHBondContact O-N 2.97Å; D732-S735 PolarHBondContact OD1-N 3.45Å; D732-S735 WeakPolarHBondContact OD2-CB 3.35Å; D732-S735 PolarHBondContact OD2-OG 2.85Å; D732-E736 WeakPolarHBondContact O-CB 3.4Å; D732-E736 WeakPolarHBondContact O-CG 3.47Å; D732-E736 PolarHBondContact O-N 2.87Å; D732-N749 WeakPolarHBondContact OD1-CB 3.22Å
733	E	88.4	Confident	81.1	Confident	25 Å²	25	83.6 Å²	83.6	12%	0.117	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.9	-177.9	-60.5	111.4	156.7	0	0	112.8	I731 N737 K738 H739 G753 F754	I731-E733 VanDerWaalsContact C-N 3.31Å; I731-E733 HydrophobicContact CG2-CG 4.03Å; I731-E733 VanDerWaalsContact O-CD 3.29Å; I731-E733 PolarHBondContact O-N 3.47Å; E733-N737 PolarHBondContact O-N 3.05Å; E733-K738 HydrophobicContact CB-CB 3.81Å; E733-K738 HydrophobicContact CG-CB 3.94Å; E733-K738 PolarHBondContact O-N 2.86Å; E733-H739 PolarHBondContact O-CD2 2.87Å; E733-H739 PolarHBondContact O-N 3.38Å; E733-H739 VanDerWaalsContact O-N 3.17Å; E733-G753 WeakPolarHBondContact OE2-CA 3.33Å; E733-F754 HydrophobicContact CB-CB 4.18Å; E733-F754 HydrophobicContact CB-CD1 3.68Å; E733-F754 HydrophobicContact CB-CE1 4.38Å; E733-F754 HydrophobicContact CB-CG 4.13Å; E733-F754 HydrophobicContact CG-CD1 3.92Å; E733-F754 HydrophobicContact CG-CE1 4.48Å; E733-F754 WeakPolarHBondContact OE2-CD1 3.35Å; E733-F754 PolarHBondContact OE2-N 3.33Å
734	C	85.7	Confident	80.2	Confident	29 Å²	29	80.9 Å²	80.9	20%	0.196	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-51.1	171.2	-58	0	0	0	0	110.8	D732 E736 N737 C747 N749	D732-C734 PolarHBondContact O-N 3Å; D732-C734 WeakPolarHBondContact OD1-CA 3.42Å; D732-C734 WeakPolarHBondContact OD1-CB 3.45Å; D732-C734 PolarHBondContact OD1-N 3.16Å; D732-C734 VanDerWaalsContact OD1-N 3.1Å; C734-E736 VanDerWaalsContact C-N 3.34Å; C734-E736 PolarHBondContact O-N 3.31Å; C734-N737 PolarHBondContact O-N 3.42Å; C734-C747 WeakPolarHBondContact CA-SG 3.48Å; C734-C747 HydrophobicContact CB-CB 3.85Å; C734-C747 WeakPolarHBondContact CB-SG 3.32Å; C734-C747 WeakPolarHBondContact SG-CB 3.17Å; C734-C747 CovalentContact SG-SG 2.03Å; C734-C747 PolarHBondContact SG-SG 2.89Å; C734-N749 HydrophobicContact CB-CB 4.37Å; C734-N749 PolarHBondContact SG-N 3.46Å
735	S	85.9	Confident	79.5	Confident	88 Å²	88	77 Å²	77	62%	0.615	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.9	177.3	-66	0	0	0	0	112.9	D732 N737	D732-S735 VanDerWaalsContact CG-CB 3.44Å; D732-S735 VanDerWaalsContact CG-OG 3.25Å; D732-S735 PolarHBondContact O-N 2.97Å; D732-S735 PolarHBondContact OD1-N 3.45Å; D732-S735 WeakPolarHBondContact OD2-CB 3.35Å; D732-S735 PolarHBondContact OD2-OG 2.85Å; S735-N737 VanDerWaalsContact C-N 3.35Å
736	E	84.5	Confident	79.3	Confident	63 Å²	63	71.1 Å²	71.1	29%	0.294	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	5.1	179.1	-65.5	-171.2	-167.3	0	0	114.2	R722 D732 C734 K738	R722-E736 IonicContact CZ-OE1 3.13Å; R722-E736 IonicContact NH1-OE1 3.75Å; R722-E736 PolarHBondContact NH1-OE1 2.73Å; R722-E736 IonicContact NH1-OE2 3.34Å; R722-E736 PolarHBondContact NH1-OE2 3.02Å; R722-E736 IonicContact NH2-OE1 3.96Å; R722-E736 PolarHBondContact NH2-OE1 2.56Å; D732-E736 WeakPolarHBondContact O-CB 3.4Å; D732-E736 WeakPolarHBondContact O-CG 3.47Å; D732-E736 PolarHBondContact O-N 2.87Å; C734-E736 VanDerWaalsContact C-N 3.34Å; C734-E736 PolarHBondContact O-N 3.31Å; E736-K738 HydrophobicContact CB-CD 4.02Å; E736-K738 HydrophobicContact CB-CG 4.27Å; E736-K738 PolarHBondContact O-N 2.85Å; E736-K738 WeakPolarHBondContact OE2-CE 3.49Å; E736-K738 IonicContact OE2-NZ 3.09Å; E736-K738 PolarHBondContact OE2-NZ 2.86Å
737	N	75.6	Confident	79.4	Confident	134 Å²	134	67.2 Å²	67.2	72%	0.717	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	34.1	-177	-65.6	-85.1	0	0	0	113.9	E733 C734 S735	E733-N737 PolarHBondContact O-N 3.05Å; C734-N737 PolarHBondContact O-N 3.42Å; S735-N737 VanDerWaalsContact C-N 3.35Å
738	K	79.1	Confident	79.5	Confident	113 Å²	113	65.2 Å²	65.2	49%	0.491	35%	0.353	S	S	.	.			trans	-95.1	-3.5	176.2	-71.1	169.5	-179.8	170.3	0	112.8	I731 E733 E736 N740	I731-K738 HydrophobicContact CG2-CD 4.33Å; E733-K738 HydrophobicContact CB-CB 3.81Å; E733-K738 HydrophobicContact CG-CB 3.94Å; E733-K738 PolarHBondContact O-N 2.86Å; E736-K738 HydrophobicContact CB-CD 4.02Å; E736-K738 HydrophobicContact CB-CG 4.27Å; E736-K738 PolarHBondContact O-N 2.85Å; E736-K738 WeakPolarHBondContact OE2-CE 3.49Å; E736-K738 IonicContact OE2-NZ 3.09Å; E736-K738 PolarHBondContact OE2-NZ 2.86Å; K738-N740 PolarHBondContact O-N 2.8Å
739	H	72.4	Confident	79.1	Confident	54 Å²	54	67 Å²	67	25%	0.25	36%	0.361	C	S	.	.			trans	-74	113.1	-179.4	67.8	93	0	0	0	112.2	E733 C741 C747 F754	E733-H739 PolarHBondContact O-CD2 2.87Å; E733-H739 PolarHBondContact O-N 3.38Å; E733-H739 VanDerWaalsContact O-N 3.17Å; H739-C741 PolarHBondContact ND1-SG 2.85Å; H739-C741 PolarHBondContact O-N 2.04Å; H739-C747 HydrophobicContact CB-CB 4.3Å; H739-C747 WeakPolarHBondContact CB-SG 3.38Å; H739-F754 HydrophobicContact CB-CD2 3.53Å; H739-F754 HydrophobicContact CB-CE2 3.77Å; H739-F754 HydrophobicContact CB-CG 3.96Å; H739-F754 HydrophobicContact CB-CZ 4.38Å
740	N	80.2	Confident	79.1	Confident	154 Å²	154	69.1 Å²	69.1	82%	0.824	37%	0.368	S	S	*	.			trans	-76.8	53.1	174.5	-80.8	-14.9	0	0	0	112.2	K738	K738-N740 PolarHBondContact O-N 2.8Å
741	C	77.3	Confident	78.8	Confident	29 Å²	29	72.7 Å²	72.7	20%	0.196	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-81.8	138.9	179.1	-62	0	0	0	0	112.1	H739 C756	H739-C741 PolarHBondContact ND1-SG 2.85Å; H739-C741 PolarHBondContact O-N 2.04Å; C741-C756 WeakPolarHBondContact CA-SG 3.07Å; C741-C756 HydrophobicContact CB-CB 3.67Å; C741-C756 WeakPolarHBondContact CB-SG 3.42Å; C741-C756 WeakPolarHBondContact SG-CB 3.26Å; C741-C756 CovalentContact SG-SG 2.03Å; C741-C756 PolarHBondContact SG-SG 3.17Å
742	T	75.4	Confident	78.5	Confident	80 Å²	80	72.7 Å²	72.7	49%	0.491	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-65.9	149.6	176.2	-35.6	0	0	0	0	110.8	G744 S745	T742-G744 PolarHBondContact O-N 3.24Å; T742-S745 PolarHBondContact N-OG 2.03Å; T742-S745 WeakPolarHBondContact O-CB 3.08Å; T742-S745 PolarHBondContact O-N 2.85Å; T742-S745 PolarHBondContact O-OG 3.06Å
743	Y	65.4	Low	78.4	Confident	197 Å²	197	70.6 Å²	70.6	77%	0.773	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	133.5	172.6	-158.3	-97.1	0	0	0	110.4
744	G	64.6	Low	78.2	Confident	30 Å²	30	72.7 Å²	72.7	31%	0.309	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	14.5	-172.6	0	0	0	0	0	116	T742	T742-G744 PolarHBondContact O-N 3.24Å
745	S	67.2	Low	77.8	Confident	18 Å²	18	77.9 Å²	77.9	13%	0.126	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.5	169.2	67.3	0	0	0	0	111.9	T742 I757	T742-S745 PolarHBondContact N-OG 2.03Å; T742-S745 WeakPolarHBondContact O-CB 3.08Å; T742-S745 PolarHBondContact O-N 2.85Å; T742-S745 PolarHBondContact O-OG 3.06Å; S745-I757 WeakPolarHBondContact CA-O 3.02Å; S745-I757 WeakPolarHBondContact CB-O 3.41Å
746	T	76.1	Confident	77.5	Confident	68 Å²	68	76 Å²	76	42%	0.417	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136.8	-176	-58.2	0	0	0	0	110.6	I757	T746-I757 PolarHBondContact N-O 2.95Å; T746-I757 WeakPolarHBondContact O-CG1 3.4Å; T746-I757 PolarHBondContact O-N 2.04Å
747	C	81.7	Confident	76.6	Confident	27 Å²	27	75 Å²	75	18%	0.182	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.3	174.7	-167.2	0	0	0	0	111.2	C734 H739	C734-C747 WeakPolarHBondContact CA-SG 3.48Å; C734-C747 HydrophobicContact CB-CB 3.85Å; C734-C747 WeakPolarHBondContact CB-SG 3.32Å; C734-C747 WeakPolarHBondContact SG-CB 3.17Å; C734-C747 CovalentContact SG-SG 2.03Å; C734-C747 PolarHBondContact SG-SG 2.89Å; H739-C747 HydrophobicContact CB-CB 4.3Å; H739-C747 WeakPolarHBondContact CB-SG 3.38Å
748	M	81	Confident	75.8	Confident	77 Å²	77	76.3 Å²	76.3	38%	0.379	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.3	164.8	-63.9	-173.8	80	0	0	109.9	F754 R755 I757	M748-F754 WeakPolarHBondContact O-CA 2.87Å; M748-R755 HydrophobicContact CB-CG 3.96Å; M748-R755 PolarHBondContact N-O 3.02Å; M748-R755 PolarHBondContact O-N 3.23Å; M748-R755 PolarHBondContact SD-NH2 2.94Å; M748-I757 HydrophobicContact CG-CD1 4.02Å; M748-I757 HydrophobicContact CG-CG1 4.15Å; M748-I757 HydrophobicContact SD-CD1 3.76Å; M748-I757 HydrophobicContact SD-CG1 4.27Å; M748-I757 HydrophobicContact SD-CG2 4.47Å
749	N	77.5	Confident	74.7	Confident	52 Å²	52	72.2 Å²	72.2	28%	0.278	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	145.9	172.8	-166.8	54.6	0	0	0	110.5	D730 D732 C734 G753	D730-N749 PolarHBondContact OD2-ND2 2.64Å; D732-N749 WeakPolarHBondContact OD1-CB 3.22Å; C734-N749 HydrophobicContact CB-CB 4.37Å; C734-N749 PolarHBondContact SG-N 3.46Å; N749-G753 PolarHBondContact OD1-O 3.34Å
750	H	84.8	Confident	73.9	Confident	90 Å²	90	76 Å²	76	42%	0.417	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157.5	169.4	63.9	-46.1	0	0	0	109.8	G752 G753	H750-G752 PolarHBondContact O-N 2.95Å; H750-G753 CarbonylContact C-O 3.55Å; H750-G753 PolarHBondContact CE1-O 2.64Å; H750-G753 PolarHBondContact N-O 3.47Å; H750-G753 PolarHBondContact ND1-O 3.4Å; H750-G753 CarbonylContact O-C 3.55Å; H750-G753 PolarHBondContact O-N 2.85Å
751	I	81	Confident	73	Confident	119 Å²	119	75.8 Å²	75.8	61%	0.61	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	112.2	-177.4	-64.5	165.7	0	0	0	109.3	Y721 D730	Y721-I751 HydrophobicContact CE1-CG2 4.18Å; Y721-I751 VanDerWaalsContact OH-CG2 3.24Å; Y721-I751 WeakPolarHBondContact OH-CG2 3.47Å; D730-I751 WeakPolarHBondContact OD1-CA 3.25Å
752	G	79	Confident	72.6	Confident	30 Å²	30	75.7 Å²	75.7	31%	0.309	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	6.8	-173.4	0	0	0	0	0	116.5	D730 H750	D730-G752 PolarHBondContact OD1-N 3.07Å; H750-G752 PolarHBondContact O-N 2.95Å
753	G	82.8	Confident	72.4	Confident	6 Å²	6	75.9 Å²	75.9	6%	0.062	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.8	-160.6	165.9	0	0	0	0	0	116	E733 N749 H750	E733-G753 WeakPolarHBondContact OE2-CA 3.33Å; N749-G753 PolarHBondContact OD1-O 3.34Å; H750-G753 CarbonylContact C-O 3.55Å; H750-G753 PolarHBondContact CE1-O 2.64Å; H750-G753 PolarHBondContact N-O 3.47Å; H750-G753 PolarHBondContact ND1-O 3.4Å; H750-G753 CarbonylContact O-C 3.55Å; H750-G753 PolarHBondContact O-N 2.85Å
754	F	85.6	Confident	73.1	Confident	69 Å²	69	72.1 Å²	72.1	30%	0.303	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	159.6	179.8	71.1	-76.4	0	0	0	113.8	E733 H739 M748 C756	E733-F754 HydrophobicContact CB-CB 4.18Å; E733-F754 HydrophobicContact CB-CD1 3.68Å; E733-F754 HydrophobicContact CB-CE1 4.38Å; E733-F754 HydrophobicContact CB-CG 4.13Å; E733-F754 HydrophobicContact CG-CD1 3.92Å; E733-F754 HydrophobicContact CG-CE1 4.48Å; E733-F754 WeakPolarHBondContact OE2-CD1 3.35Å; E733-F754 PolarHBondContact OE2-N 3.33Å; H739-F754 HydrophobicContact CB-CD2 3.53Å; H739-F754 HydrophobicContact CB-CE2 3.77Å; H739-F754 HydrophobicContact CB-CG 3.96Å; H739-F754 HydrophobicContact CB-CZ 4.38Å; M748-F754 WeakPolarHBondContact O-CA 2.87Å; F754-C756 VanDerWaalsContact CE2-SG 3.55Å
755	R	77.7	Confident	73.9	Confident	138 Å²	138	71.3 Å²	71.3	52%	0.521	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.5	163.5	69.5	-177.9	-169	-178	5.6	111.1	M748	M748-R755 HydrophobicContact CB-CG 3.96Å; M748-R755 PolarHBondContact N-O 3.02Å; M748-R755 PolarHBondContact O-N 3.23Å; M748-R755 PolarHBondContact SD-NH2 2.94Å
756	C	77.6	Confident	74.7	Confident	48 Å²	48	73 Å²	73	32%	0.324	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	105.3	177.1	-54.6	0	0	0	0	109.3	C741 F754 R758	C741-C756 WeakPolarHBondContact CA-SG 3.07Å; C741-C756 HydrophobicContact CB-CB 3.67Å; C741-C756 WeakPolarHBondContact CB-SG 3.42Å; C741-C756 WeakPolarHBondContact SG-CB 3.26Å; C741-C756 CovalentContact SG-SG 2.03Å; C741-C756 PolarHBondContact SG-SG 3.17Å; F754-C756 VanDerWaalsContact CE2-SG 3.55Å; C756-R758 PolarHBondContact O-N 3.12Å
757	I	67.3	Low	74.9	Confident	41 Å²	41	73.6 Å²	73.6	21%	0.21	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	101.9	172.3	44.4	164.6	0	0	0	108.9	L93 S745 T746 M748 I759	L93-I757 WeakPolarHBondContact O-CD1 3.26Å; S745-I757 WeakPolarHBondContact CA-O 3.02Å; S745-I757 WeakPolarHBondContact CB-O 3.41Å; T746-I757 PolarHBondContact N-O 2.95Å; T746-I757 WeakPolarHBondContact O-CG1 3.4Å; T746-I757 PolarHBondContact O-N 2.04Å; M748-I757 HydrophobicContact CG-CD1 4.02Å; M748-I757 HydrophobicContact CG-CG1 4.15Å; M748-I757 HydrophobicContact SD-CD1 3.76Å; M748-I757 HydrophobicContact SD-CG1 4.27Å; M748-I757 HydrophobicContact SD-CG2 4.47Å; I757-I759 WeakPolarHBondContact O-CD1 3.35Å
758	R	58	Low	74.4	Confident	162 Å²	162	75.7 Å²	75.7	61%	0.611	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	154.6	151	-89.6	-168.4	-178.2	-170.3	1.5	108.4	C756	C756-R758 PolarHBondContact O-N 3.12Å
759	I	55.9	Low	74.1	Confident	28 Å²	28	79.6 Å²	79.6	14%	0.144	40%	0.397	C	S	.	.			trans	-128.9	105.7	172.2	-47.1	93.6	0	0	0	109.8	T94 S95 I757	T94-I759 VanDerWaalsContact CA-CG2 3.42Å; T94-I759 HydrophobicContact CG2-CG2 4.4Å; T94-I759 WeakPolarHBondContact O-CG1 3.03Å; S95-I759 VanDerWaalsContact OG-CG2 3.22Å; S95-I759 WeakPolarHBondContact OG-CG2 3.38Å; I757-I759 WeakPolarHBondContact O-CD1 3.35Å
760	E	55.9	Low	73.5	Confident	132 Å²	132	80.1 Å²	80.1	62%	0.617	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-75.9	147.1	157.2	-70	100.8	-130.3	0	0	111.1	R768	E760-R768 PolarHBondContact O-NH1 2.8Å; E760-R768 VanDerWaalsContact O-NH1 3.09Å; E760-R768 PolarHBondContact O-NH2 3.42Å
761	E	60.5	Low	72.2	Confident	150 Å²	150	82.1 Å²	82.1	70%	0.701	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-56.6	156.7	164.8	-66.5	171	175.9	0	0	109.2
762	C	68.7	Low	71.2	Confident	28 Å²	28	82.4 Å²	82.4	19%	0.189	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-61.3	142.6	177.5	-78	0	0	0	0	110.2	F766 R768 C775	C762-F766 HydrophobicContact CB-CB 3.85Å; C762-F766 VanDerWaalsContact CB-O 3.29Å; C762-F766 WeakPolarHBondContact CB-O 3.43Å; C762-R768 WeakPolarHBondContact SG-CG 3.39Å; C762-R768 VanDerWaalsContact SG-CZ 3.55Å; C762-R768 PolarHBondContact SG-NE 3.14Å; C762-C775 WeakPolarHBondContact CA-SG 3.04Å; C762-C775 HydrophobicContact CB-CB 4.11Å; C762-C775 WeakPolarHBondContact CB-SG 3.48Å; C762-C775 WeakPolarHBondContact SG-CA 3.46Å; C762-C775 WeakPolarHBondContact SG-CB 3.36Å; C762-C775 CovalentContact SG-SG 2.04Å; C762-C775 PolarHBondContact SG-SG 3.41Å
763	P	72.7	Confident	70.6	Confident	84 Å²	84	81.6 Å²	81.6	55%	0.545	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-52.4	151.2	168.5	-23.7	33.7	0	0	0	110.7	G765 F766	P763-G765 PolarHBondContact O-N 3.21Å; P763-F766 HydrophobicContact CB-CD2 3.99Å; P763-F766 HydrophobicContact CB-CE2 4.4Å; P763-F766 HydrophobicContact CG-CD2 4.5Å; P763-F766 WeakPolarHBondContact O-CB 3.05Å; P763-F766 PolarHBondContact O-N 2.74Å
764	S	78.5	Confident	70	Confident	118 Å²	118	85.2 Å²	85.2	83%	0.825	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	138.7	172.8	-52.5	0	0	0	0	110.3
765	G	81.3	Confident	69.6	Low	12 Å²	12	84 Å²	84	12%	0.124	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-2.6	-169.2	0	0	0	0	0	114.8	P763 I778	P763-G765 PolarHBondContact O-N 3.21Å; G765-I778 WeakPolarHBondContact O-CB 3.03Å; G765-I778 WeakPolarHBondContact O-CG1 3.34Å; G765-I778 PolarHBondContact O-N 2.75Å
766	F	84.5	Confident	69.8	Low	53 Å²	53	79.1 Å²	79.1	23%	0.232	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.9	178.8	-60.6	-98.7	0	0	0	113.4	C762 P763 C775 E776 I798	C762-F766 HydrophobicContact CB-CB 3.85Å; C762-F766 VanDerWaalsContact CB-O 3.29Å; C762-F766 WeakPolarHBondContact CB-O 3.43Å; P763-F766 HydrophobicContact CB-CD2 3.99Å; P763-F766 HydrophobicContact CB-CE2 4.4Å; P763-F766 HydrophobicContact CG-CD2 4.5Å; P763-F766 WeakPolarHBondContact O-CB 3.05Å; P763-F766 PolarHBondContact O-N 2.74Å; F766-C775 HydrophobicContact CB-CB 3.97Å; F766-C775 HydrophobicContact CD1-CB 4.32Å; F766-C775 HydrophobicContact CG-CB 4.41Å; F766-E776 CarbonylContact C-O 3.58Å; F766-E776 VanDerWaalsContact CA-O 3.3Å; F766-E776 WeakPolarHBondContact CA-O 3.49Å; F766-I798 HydrophobicContact CE1-CG2 3.64Å; F766-I798 HydrophobicContact CZ-CG2 3.74Å
767	K	80.8	Confident	70.3	Confident	82 Å²	82	78.6 Å²	78.6	36%	0.357	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	168.8	179.1	61.6	-174.3	170.7	-163.5	0	111.7	E776 D777 I778	K767-E776 PolarHBondContact N-O 3.01Å; K767-E776 PolarHBondContact O-N 2.04Å; K767-D777 WeakPolarHBondContact CE-O 3.34Å; K767-I778 HydrophobicContact CB-CD1 4.16Å; K767-I778 HydrophobicContact CB-CG1 3.76Å; K767-I778 HydrophobicContact CD-CG1 3.99Å; K767-I778 HydrophobicContact CG-CG1 3.79Å
768	R	71.9	Confident	71.3	Confident	71 Å²	71	78.2 Å²	78.2	27%	0.268	39%	0.388	S	S	.	.			trans	-121.7	127.8	173.9	-59.9	-177.6	167.2	142.1	7.2	109.5	T94 S95 E760 C762 S770 S773 C775	T94-R768 VanDerWaalsContact CG2-NE 3.27Å; S95-R768 PolarHBondContact OG-NH1 2.87Å; E760-R768 PolarHBondContact O-NH1 2.8Å; E760-R768 VanDerWaalsContact O-NH1 3.09Å; E760-R768 PolarHBondContact O-NH2 3.42Å; C762-R768 WeakPolarHBondContact SG-CG 3.39Å; C762-R768 VanDerWaalsContact SG-CZ 3.55Å; C762-R768 PolarHBondContact SG-NE 3.14Å; R768-S770 WeakPolarHBondContact CB-O 3.48Å; R768-S770 PolarHBondContact O-N 2.8Å; R768-S773 VanDerWaalsContact CA-OG 3.24Å; R768-S773 WeakPolarHBondContact CA-OG 3.06Å; R768-S773 WeakPolarHBondContact CB-OG 3.29Å; R768-C775 PolarHBondContact NH2-SG 3.48Å
769	K	73.6	Confident	72.7	Confident	159 Å²	159	72.5 Å²	72.5	69%	0.691	37%	0.369	S	S	*	.	S	Bend	trans	-66.4	-27.4	175.6	-83.6	-177.4	172.9	112.9	0	112.5	S773 E776	K769-S773 PolarHBondContact N-OG 3.2Å; K769-E776 WeakPolarHBondContact CD-OE2 3.28Å; K769-E776 WeakPolarHBondContact CE-OE2 3.49Å; K769-E776 WeakPolarHBondContact CG-OE2 3.34Å; K769-E776 IonicContact NZ-OE1 2.6Å; K769-E776 PolarHBondContact NZ-OE1 2.82Å; K769-E776 IonicContact NZ-OE2 3.69Å; K769-E776 PolarHBondContact NZ-OE2 3.43Å
770	S	65.2	Low	74.4	Confident	63 Å²	63	72.1 Å²	72.1	44%	0.441	37%	0.367	S	S	.	.	S	Bend	trans	-152.2	170	171.7	68.9	0	0	0	0	108.6	R768 F772 S773	R768-S770 WeakPolarHBondContact CB-O 3.48Å; R768-S770 PolarHBondContact O-N 2.8Å; S770-F772 PolarHBondContact O-N 2.74Å; S770-F772 VanDerWaalsContact O-N 3.17Å; S770-F772 VanDerWaalsContact OG-C 3.28Å; S770-F772 WeakPolarHBondContact OG-CA 3.19Å; S770-F772 PolarHBondContact OG-N 2.59Å; S770-F772 VanDerWaalsContact OG-N 3.09Å; S770-S773 PolarHBondContact O-N 3.04Å; S770-S773 VanDerWaalsContact O-N 3.12Å; S770-S773 PolarHBondContact O-OG 3.22Å; S770-S773 PolarHBondContact OG-N 2.79Å
771	Q	58	Low	76	Confident	132 Å²	132	67.3 Å²	67.3	62%	0.617	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-34.9	165.9	-69.3	178.6	-23.8	0	0	110.7	L93 T94 S773	L93-Q771 VanDerWaalsContact CA-O 3.29Å; L93-Q771 WeakPolarHBondContact CA-O 3.44Å; L93-Q771 HydrophobicContact CD1-CB 3.79Å; L93-Q771 WeakPolarHBondContact CD1-O 3.29Å; T94-Q771 WeakPolarHBondContact CB-O 3.17Å; T94-Q771 PolarHBondContact OG1-O 2.93Å; Q771-S773 VanDerWaalsContact C-N 3.34Å; Q771-S773 PolarHBondContact O-N 3.19Å
772	F	59.9	Low	77.3	Confident	125 Å²	125	67 Å²	67	55%	0.548	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	31.5	178.3	-65.8	-100.4	0	0	0	114.2	I92 L93 S770	I92-F772 WeakPolarHBondContact CA-O 3.34Å; I92-F772 HydrophobicContact CG1-CB 4.43Å; I92-F772 WeakPolarHBondContact CG1-O 3.48Å; I92-F772 HydrophobicContact CG2-CB 4.32Å; I92-F772 HydrophobicContact CG2-CD1 3.85Å; L93-F772 HydrophobicContact CB-CB 4.25Å; L93-F772 HydrophobicContact CB-CD1 3.54Å; L93-F772 HydrophobicContact CB-CE1 4.06Å; L93-F772 HydrophobicContact CB-CG 3.91Å; L93-F772 HydrophobicContact CD1-CB 4.34Å; L93-F772 HydrophobicContact CD1-CD1 3.54Å; L93-F772 HydrophobicContact CD1-CD2 3.41Å; L93-F772 VanDerWaalsContact CD1-CD2 3.41Å; L93-F772 HydrophobicContact CD1-CE1 3.57Å; L93-F772 HydrophobicContact CD1-CE2 3.45Å; L93-F772 VanDerWaalsContact CD1-CE2 3.45Å; L93-F772 HydrophobicContact CD1-CG 3.45Å; L93-F772 VanDerWaalsContact CD1-CG 3.45Å; L93-F772 HydrophobicContact CD1-CZ 3.53Å; L93-F772 HydrophobicContact CD2-CE1 4.43Å; L93-F772 HydrophobicContact CG-CD1 4.05Å; L93-F772 HydrophobicContact CG-CE1 4.19Å; L93-F772 HydrophobicContact CG-CG 4.26Å; S770-F772 PolarHBondContact O-N 2.74Å; S770-F772 VanDerWaalsContact O-N 3.17Å; S770-F772 VanDerWaalsContact OG-C 3.28Å; S770-F772 WeakPolarHBondContact OG-CA 3.19Å; S770-F772 PolarHBondContact OG-N 2.59Å; S770-F772 VanDerWaalsContact OG-N 3.09Å
773	S	65.1	Low	78.1	Confident	13 Å²	13	69.5 Å²	69.5	9%	0.091	36%	0.357	C	S	.	.	S	Bend	trans	-112.3	161.6	172	85.8	0	0	0	0	114	R768 K769 S770 Q771	R768-S773 VanDerWaalsContact CA-OG 3.24Å; R768-S773 WeakPolarHBondContact CA-OG 3.06Å; R768-S773 WeakPolarHBondContact CB-OG 3.29Å; K769-S773 PolarHBondContact N-OG 3.2Å; S770-S773 PolarHBondContact O-N 3.04Å; S770-S773 VanDerWaalsContact O-N 3.12Å; S770-S773 PolarHBondContact O-OG 3.22Å; S770-S773 PolarHBondContact OG-N 2.79Å; Q771-S773 VanDerWaalsContact C-N 3.34Å; Q771-S773 PolarHBondContact O-N 3.19Å
774	R	71	Confident	78.5	Confident	82 Å²	82	72 Å²	72	31%	0.309	37%	0.365	S	S	.	.			trans	-61.4	165.2	159.8	61.9	-116.3	-170.2	153.6	13.9	110.6	D89 E776	D89-R774 VanDerWaalsContact C-NH1 3.26Å; D89-R774 VanDerWaalsContact CG-NE 3.33Å; D89-R774 PolarHBondContact O-NH1 3.39Å; D89-R774 WeakPolarHBondContact OD1-CD 3.33Å; D89-R774 VanDerWaalsContact OD1-CG 3.24Å; D89-R774 WeakPolarHBondContact OD1-CG 3.36Å; D89-R774 IonicContact OD1-CZ 2.65Å; D89-R774 IonicContact OD1-NE 3.69Å; D89-R774 PolarHBondContact OD1-NE 2.04Å; D89-R774 IonicContact OD1-NH1 2.62Å; D89-R774 IonicContact OD1-NH2 2.65Å; D89-R774 IonicContact OD2-CZ 3.49Å; D89-R774 IonicContact OD2-NE 2.68Å; D89-R774 PolarHBondContact OD2-NE 3.35Å; D89-R774 IonicContact OD2-NH1 3.75Å; D89-R774 IonicContact OD2-NH2 2.68Å; D89-R774 PolarHBondContact OD2-NH2 3.08Å; R774-E776 HydrophobicContact CG-CG 3.94Å; R774-E776 IonicContact NE-OE1 3.63Å; R774-E776 PolarHBondContact O-N 3.42Å
775	C	76.7	Confident	78.8	Confident	44 Å²	44	71 Å²	71	30%	0.297	35%	0.35	S	S	.	.			trans	-70	113.8	162	-70.1	0	0	0	0	108.1	C762 F766 R768	C762-C775 WeakPolarHBondContact CA-SG 3.04Å; C762-C775 HydrophobicContact CB-CB 4.11Å; C762-C775 WeakPolarHBondContact CB-SG 3.48Å; C762-C775 WeakPolarHBondContact SG-CA 3.46Å; C762-C775 WeakPolarHBondContact SG-CB 3.36Å; C762-C775 CovalentContact SG-SG 2.04Å; C762-C775 PolarHBondContact SG-SG 3.41Å; F766-C775 HydrophobicContact CB-CB 3.97Å; F766-C775 HydrophobicContact CD1-CB 4.32Å; F766-C775 HydrophobicContact CG-CB 4.41Å; R768-C775 PolarHBondContact NH2-SG 3.48Å
776	E	82.6	Confident	78.7	Confident	35 Å²	35	72.4 Å²	72.4	16%	0.164	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	149.7	171.1	-63.6	-177.4	165.2	0	0	109.1	F766 K767 K769 R774	F766-E776 CarbonylContact C-O 3.58Å; F766-E776 VanDerWaalsContact CA-O 3.3Å; F766-E776 WeakPolarHBondContact CA-O 3.49Å; K767-E776 PolarHBondContact N-O 3.01Å; K767-E776 PolarHBondContact O-N 2.04Å; K769-E776 WeakPolarHBondContact CD-OE2 3.28Å; K769-E776 WeakPolarHBondContact CE-OE2 3.49Å; K769-E776 WeakPolarHBondContact CG-OE2 3.34Å; K769-E776 IonicContact NZ-OE1 2.6Å; K769-E776 PolarHBondContact NZ-OE1 2.82Å; K769-E776 IonicContact NZ-OE2 3.69Å; K769-E776 PolarHBondContact NZ-OE2 3.43Å; R774-E776 HydrophobicContact CG-CG 3.94Å; R774-E776 IonicContact NE-OE1 3.63Å; R774-E776 PolarHBondContact O-N 3.42Å
777	D	89.1	Confident	78.6	Confident	37 Å²	37	73.7 Å²	73.7	20%	0.198	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	142.7	178	-171.8	53.7	0	0	0	112.8	K767 N779 N796 I798 G799	K767-D777 WeakPolarHBondContact CE-O 3.34Å; D777-N779 PolarHBondContact O-N 3.22Å; D777-N796 PolarHBondContact OD2-ND2 3.45Å; D777-I798 HydrophobicContact CB-CG2 4.45Å; D777-I798 WeakPolarHBondContact OD1-CA 3.41Å; D777-G799 PolarHBondContact OD1-N 2.68Å
778	I	86.7	Confident	78.7	Confident	33 Å²	33	71 Å²	71	17%	0.169	36%	0.361	C	S	.	.			trans	-90.5	95.6	170.9	-60.1	175.4	0	0	0	107.2	G765 K767 E780 L783 I785	G765-I778 WeakPolarHBondContact O-CB 3.03Å; G765-I778 WeakPolarHBondContact O-CG1 3.34Å; G765-I778 PolarHBondContact O-N 2.75Å; K767-I778 HydrophobicContact CB-CD1 4.16Å; K767-I778 HydrophobicContact CB-CG1 3.76Å; K767-I778 HydrophobicContact CD-CG1 3.99Å; K767-I778 HydrophobicContact CG-CG1 3.79Å; I778-E780 VanDerWaalsContact C-N 3.31Å; I778-E780 HydrophobicContact CG2-CG 4.07Å; I778-E780 PolarHBondContact O-N 2.87Å; I778-E780 VanDerWaalsContact O-OE2 3.1Å; I778-L783 HydrophobicContact CG2-CD1 3.72Å; I778-I785 HydrophobicContact CG2-CD1 3.8Å
779	N	88.2	Confident	79.2	Confident	42 Å²	42	68.6 Å²	68.6	23%	0.225	36%	0.359	C	S	.	.			trans	-62.8	90.7	171.8	-172.6	-4.8	0	0	0	111	D777 C781 E782 L783 N796	D777-N779 PolarHBondContact O-N 3.22Å; N779-C781 VanDerWaalsContact C-N 3.3Å; N779-C781 PolarHBondContact O-N 3.33Å; N779-E782 HydrophobicContact CB-CB 4.06Å; N779-E782 VanDerWaalsContact CG-CB 3.42Å; N779-E782 WeakPolarHBondContact ND2-CB 3.25Å; N779-E782 PolarHBondContact ND2-OE2 2.91Å; N779-E782 PolarHBondContact O-N 3.09Å; N779-E782 PolarHBondContact OD1-N 2.86Å; N779-L783 WeakPolarHBondContact O-CG 3.25Å; N779-L783 PolarHBondContact O-N 3.48Å; N779-N796 WeakPolarHBondContact CA-OD1 3.46Å; N779-N796 WeakPolarHBondContact OD1-CB 3.39Å
780	E	91	Very high	79.5	Confident	20 Å²	20	64.2 Å²	64.2	9%	0.093	35%	0.353	C	S	.	.	H	α-helix	trans	-67.4	-34.3	-172.3	-75.3	107.2	173.8	0	0	111.8	I778 L783 N784 I785 D786 N796 Y801	I778-E780 VanDerWaalsContact C-N 3.31Å; I778-E780 HydrophobicContact CG2-CG 4.07Å; I778-E780 PolarHBondContact O-N 2.87Å; I778-E780 VanDerWaalsContact O-OE2 3.1Å; E780-L783 CarbonylContact O-C 3.53Å; E780-L783 PolarHBondContact O-N 3.41Å; E780-N784 PolarHBondContact O-N 3.18Å; E780-I785 HydrophobicContact CB-CG1 3.91Å; E780-I785 HydrophobicContact CG-CD1 4.09Å; E780-I785 HydrophobicContact CG-CG1 3.78Å; E780-I785 PolarHBondContact O-N 2.83Å; E780-D786 HydrophobicContact CB-CB 4.25Å; E780-N796 PolarHBondContact N-OD1 2.83Å; E780-Y801 HydrophobicContact CB-CD1 3.63Å; E780-Y801 HydrophobicContact CB-CE1 4.34Å; E780-Y801 HydrophobicContact CB-CG 4.14Å; E780-Y801 HydrophobicContact CG-CD1 3.71Å; E780-Y801 HydrophobicContact CG-CE1 4.19Å; E780-Y801 WeakPolarHBondContact OE2-CD1 3.23Å; E780-Y801 PolarHBondContact OE2-N 2.89Å
781	C	90.1	Very high	80.4	Confident	31 Å²	31	63.8 Å²	63.8	21%	0.209	34%	0.344	C	S	.	.	H	α-helix	trans	-67.9	-37.1	178.7	-45.8	0	0	0	0	113.1	N779 C794 K795 N796	N779-C781 VanDerWaalsContact C-N 3.3Å; N779-C781 PolarHBondContact O-N 3.33Å; C781-C794 WeakPolarHBondContact CA-SG 3.36Å; C781-C794 HydrophobicContact CB-CB 3.67Å; C781-C794 WeakPolarHBondContact CB-SG 3.48Å; C781-C794 WeakPolarHBondContact SG-CB 3.04Å; C781-C794 PolarHBondContact SG-O 3.2Å; C781-C794 CovalentContact SG-SG 2.03Å; C781-C794 PolarHBondContact SG-SG 2.79Å; C781-K795 VanDerWaalsContact SG-C 3.58Å; C781-N796 PolarHBondContact SG-N 2.8Å
782	E	88.4	Confident	81.7	Confident	143 Å²	143	58.3 Å²	58.3	67%	0.668	32%	0.319	S	S	*	.	H	α-helix	trans	-73.2	-31.9	175.5	178.1	-177.1	-178.9	0	0	111.5	N779 N784	N779-E782 HydrophobicContact CB-CB 4.06Å; N779-E782 VanDerWaalsContact CG-CB 3.42Å; N779-E782 WeakPolarHBondContact ND2-CB 3.25Å; N779-E782 PolarHBondContact ND2-OE2 2.91Å; N779-E782 PolarHBondContact O-N 3.09Å; N779-E782 PolarHBondContact OD1-N 2.86Å; E782-N784 PolarHBondContact O-ND2 2.96Å
783	L	85.2	Confident	83	Confident	81 Å²	81	57.7 Å²	57.7	42%	0.424	32%	0.316	S	S	.	.	H	α-helix	trans	-84.7	-10	179	-67.2	173.9	0	0	0	113.8	I778 N779 E780 I785	I778-L783 HydrophobicContact CG2-CD1 3.72Å; N779-L783 WeakPolarHBondContact O-CG 3.25Å; N779-L783 PolarHBondContact O-N 3.48Å; E780-L783 CarbonylContact O-C 3.53Å; E780-L783 PolarHBondContact O-N 3.41Å; L783-I785 VanDerWaalsContact C-N 3.29Å; L783-I785 HydrophobicContact CB-CD1 3.99Å; L783-I785 HydrophobicContact CB-CG1 3.9Å; L783-I785 HydrophobicContact CB-CG2 4.27Å; L783-I785 HydrophobicContact CD1-CD1 3.87Å; L783-I785 PolarHBondContact O-N 2.74Å
784	N	81.7	Confident	84.1	Confident	135 Å²	135	58.8 Å²	58.8	72%	0.722	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	44.8	-173.3	-59.5	-108.2	0	0	0	111.7	E780 E782	E780-N784 PolarHBondContact O-N 3.18Å; E782-N784 PolarHBondContact O-ND2 2.96Å
785	I	83.7	Confident	85	Confident	98 Å²	98	58 Å²	58	50%	0.503	32%	0.323	S	S	.	.			trans	-119.4	5.5	175.9	65.2	179.7	0	0	0	112.4	I778 E780 L783	I778-I785 HydrophobicContact CG2-CD1 3.8Å; E780-I785 HydrophobicContact CB-CG1 3.91Å; E780-I785 HydrophobicContact CG-CD1 4.09Å; E780-I785 HydrophobicContact CG-CG1 3.78Å; E780-I785 PolarHBondContact O-N 2.83Å; L783-I785 VanDerWaalsContact C-N 3.29Å; L783-I785 HydrophobicContact CB-CD1 3.99Å; L783-I785 HydrophobicContact CB-CG1 3.9Å; L783-I785 HydrophobicContact CB-CG2 4.27Å; L783-I785 HydrophobicContact CD1-CD1 3.87Å; L783-I785 PolarHBondContact O-N 2.74Å
786	D	79.2	Confident	85.5	Confident	42 Å²	42	58.3 Å²	58.3	23%	0.225	32%	0.321	C	S	.	.			trans	-61.1	143.9	166	59.1	-67.1	0	0	0	110.6	E780 C788 C794 Y801	E780-D786 HydrophobicContact CB-CB 4.25Å; D786-C788 VanDerWaalsContact C-N 3.26Å; D786-C788 PolarHBondContact O-N 3.1Å; D786-C788 WeakPolarHBondContact OD2-CB 3.37Å; D786-C794 HydrophobicContact CB-CB 4.24Å; D786-C794 WeakPolarHBondContact CB-SG 3.26Å; D786-C794 VanDerWaalsContact CG-SG 3.56Å; D786-C794 WeakPolarHBondContact OD2-CB 3.44Å; D786-Y801 HydrophobicContact CB-CD1 4.35Å; D786-Y801 HydrophobicContact CB-CD2 3.7Å; D786-Y801 HydrophobicContact CB-CE1 4.49Å; D786-Y801 HydrophobicContact CB-CE2 3.85Å; D786-Y801 HydrophobicContact CB-CG 3.99Å
787	S	82.3	Confident	85.7	Confident	80 Å²	80	58.6 Å²	58.6	56%	0.559	33%	0.325	S	S	*	.			trans	-96.7	34.1	175.1	-51.2	0	0	0	0	111.2	Y801 T815	S787-Y801 WeakPolarHBondContact CB-OH 3.19Å; S787-Y801 VanDerWaalsContact N-CZ 3.27Å; S787-Y801 PolarHBondContact N-OH 2.04Å; S787-Y801 PolarHBondContact OG-OH 2.98Å; S787-T815 WeakPolarHBondContact O-CB 3.49Å; S787-T815 WeakPolarHBondContact O-CG2 3.24Å
788	C	84.2	Confident	85.5	Confident	24 Å²	24	61 Å²	61	16%	0.162	34%	0.337	C	S	.	.			trans	-74.6	134.9	176.5	-62	0	0	0	0	110.9	D786 T792 C803	D786-C788 VanDerWaalsContact C-N 3.26Å; D786-C788 PolarHBondContact O-N 3.1Å; D786-C788 WeakPolarHBondContact OD2-CB 3.37Å; C788-T792 HydrophobicContact CB-CG2 4.33Å; C788-T792 WeakPolarHBondContact CB-OG1 3.32Å; C788-C803 WeakPolarHBondContact CA-SG 3.5Å; C788-C803 HydrophobicContact CB-CB 3.76Å; C788-C803 WeakPolarHBondContact CB-SG 3.45Å; C788-C803 VanDerWaalsContact SG-CA 3.52Å; C788-C803 WeakPolarHBondContact SG-CB 3.23Å; C788-C803 CovalentContact SG-SG 2.04Å; C788-C803 PolarHBondContact SG-SG 3.39Å
789	G	80.9	Confident	85.3	Confident	22 Å²	22	60.3 Å²	60.3	23%	0.227	34%	0.339	C	S	.	.			trans	-77.9	-171	-177	0	0	0	0	0	113.5	T792 T815	G789-T792 PolarHBondContact O-OG1 3.39Å; G789-T815 WeakPolarHBondContact CA-O 3.08Å; G789-T815 PolarHBondContact N-O 3.45Å
790	A	80.5	Confident	85.3	Confident	67 Å²	67	61 Å²	61	55%	0.554	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	150.4	173.3	0	0	0	0	0	110.9	T792	A790-T792 VanDerWaalsContact C-N 3.32Å; A790-T792 PolarHBondContact O-N 2.9Å
791	H	83.8	Confident	85.1	Confident	54 Å²	54	62.6 Å²	62.6	25%	0.25	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	29.2	177	-43.6	-84.4	0	0	0	115.5	K806 Y809 C817 Q843	H791-K806 WeakPolarHBondContact O-CG 3.03Å; H791-K806 PolarHBondContact O-N 2.83Å; H791-Y809 HydrophobicContact CB-CD1 3.41Å; H791-Y809 VanDerWaalsContact CB-CD1 3.41Å; H791-Y809 HydrophobicContact CB-CD2 4.13Å; H791-Y809 HydrophobicContact CB-CE1 3.44Å; H791-Y809 VanDerWaalsContact CB-CE1 3.44Å; H791-Y809 HydrophobicContact CB-CE2 4.19Å; H791-Y809 HydrophobicContact CB-CG 3.78Å; H791-Y809 AromaticContact CD2-CE1 3.82Å; H791-Y809 AromaticContact CE1-CE1 3.87Å; H791-Y809 AromaticContact CE1-CZ 3.96Å; H791-Y809 PolarHBondContact CE1-OH 3.28Å; H791-Y809 AromaticContact CG-CD1 3.69Å; H791-Y809 AromaticContact CG-CE1 3.18Å; H791-Y809 AromaticContact CG-CZ 3.6Å; H791-Y809 AromaticContact ND1-CE1 3.22Å; H791-Y809 WeakPolarHBondContact ND1-CE1 3.37Å; H791-Y809 AromaticContact ND1-CZ 3.17Å; H791-Y809 PolarHBondContact ND1-OH 3.11Å; H791-C817 HydrophobicContact CB-CB 4.39Å; H791-Q843 PolarHBondContact CE1-NE2 2.87Å; H791-Q843 PolarHBondContact NE2-NE2 3.01Å
792	T	85.9	Confident	85	Confident	17 Å²	17	66.2 Å²	66.2	10%	0.104	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	168.2	169.9	60.5	0	0	0	0	113.1	C788 G789 A790 C803 I804 K806 T815 C817	C788-T792 HydrophobicContact CB-CG2 4.33Å; C788-T792 WeakPolarHBondContact CB-OG1 3.32Å; G789-T792 PolarHBondContact O-OG1 3.39Å; A790-T792 VanDerWaalsContact C-N 3.32Å; A790-T792 PolarHBondContact O-N 2.9Å; T792-C803 HydrophobicContact CG2-CB 3.95Å; T792-I804 CarbonylContact C-O 3.47Å; T792-I804 VanDerWaalsContact CA-O 3.23Å; T792-I804 WeakPolarHBondContact CA-O 3.38Å; T792-K806 WeakPolarHBondContact O-CE 3.45Å; T792-T815 VanDerWaalsContact CG2-O 3.29Å; T792-T815 WeakPolarHBondContact CG2-O 3.44Å; T792-C817 HydrophobicContact CG2-CB 4.49Å; T792-C817 VanDerWaalsContact CG2-SG 3.6Å
793	F	86.2	Confident	84.9	Confident	112 Å²	112	60.4 Å²	60.4	49%	0.491	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.8	153.2	-63.9	-64.2	0	0	0	108.7	I804 K806	F793-I804 PolarHBondContact N-O 3.2Å; F793-I804 PolarHBondContact O-N 2.98Å; F793-K806 HydrophobicContact CD2-CG 3.88Å; F793-K806 HydrophobicContact CE1-CD 4.28Å; F793-K806 HydrophobicContact CE1-CG 4.42Å; F793-K806 HydrophobicContact CE2-CB 4.35Å; F793-K806 HydrophobicContact CE2-CD 4.24Å; F793-K806 HydrophobicContact CE2-CG 3.62Å; F793-K806 HydrophobicContact CG-CG 4.41Å; F793-K806 HydrophobicContact CZ-CD 3.99Å; F793-K806 HydrophobicContact CZ-CG 3.91Å
794	C	89.2	Confident	85	Confident	36 Å²	36	60 Å²	60	24%	0.243	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.8	171.9	-178.1	0	0	0	0	109.8	C781 D786	C781-C794 WeakPolarHBondContact CA-SG 3.36Å; C781-C794 HydrophobicContact CB-CB 3.67Å; C781-C794 WeakPolarHBondContact CB-SG 3.48Å; C781-C794 WeakPolarHBondContact SG-CB 3.04Å; C781-C794 PolarHBondContact SG-O 3.2Å; C781-C794 CovalentContact SG-SG 2.03Å; C781-C794 PolarHBondContact SG-SG 2.79Å; D786-C794 HydrophobicContact CB-CB 4.24Å; D786-C794 WeakPolarHBondContact CB-SG 3.26Å; D786-C794 VanDerWaalsContact CG-SG 3.56Å; D786-C794 WeakPolarHBondContact OD2-CB 3.44Å
795	K	90.2	Very high	85.2	Confident	66 Å²	66	55 Å²	55	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.1	169.9	179.3	167.4	-175.8	155.2	0	109.3	E546 C781 Y801 Q802 I804	E546-K795 IonicContact OE2-NZ 3.51Å; E546-K795 PolarHBondContact OE2-NZ 2.82Å; C781-K795 VanDerWaalsContact SG-C 3.58Å; K795-Y801 CarbonylContact O-C 3.56Å; K795-Y801 WeakPolarHBondContact O-CA 3.46Å; K795-Q802 PolarHBondContact N-O 2.77Å; K795-Q802 PolarHBondContact O-N 2.99Å; K795-I804 HydrophobicContact CB-CD1 3.86Å; K795-I804 HydrophobicContact CB-CG1 4.37Å; K795-I804 HydrophobicContact CD-CD1 3.66Å; K795-I804 HydrophobicContact CG-CD1 4.4Å
796	N	87.4	Confident	85.3	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.262	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138.1	179.2	-165.8	58.5	0	0	0	111	D777 N779 E780 C781	D777-N796 PolarHBondContact OD2-ND2 3.45Å; N779-N796 WeakPolarHBondContact CA-OD1 3.46Å; N779-N796 WeakPolarHBondContact OD1-CB 3.39Å; E780-N796 PolarHBondContact N-OD1 2.83Å; C781-N796 PolarHBondContact SG-N 2.8Å
797	T	86.5	Confident	85.6	Confident	42 Å²	42	61 Å²	61	26%	0.258	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	167.1	171.4	74.2	0	0	0	0	108.9	G799 S800 Q802	T797-G799 PolarHBondContact O-N 3.21Å; T797-G799 VanDerWaalsContact O-N 3.14Å; T797-S800 CarbonylContact C-O 3.58Å; T797-S800 WeakPolarHBondContact CA-O 3.48Å; T797-S800 WeakPolarHBondContact CB-O 3.25Å; T797-S800 PolarHBondContact N-O 3.38Å; T797-S800 PolarHBondContact O-N 2.74Å; T797-S800 PolarHBondContact OG1-O 2.82Å; T797-Q802 HydrophobicContact CG2-CG 3.91Å
798	I	85.3	Confident	85.7	Confident	86 Å²	86	57.4 Å²	57.4	44%	0.441	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	105.7	-167.5	-61.8	171.5	0	0	0	110.3	H86 F766 D777	H86-I798 HydrophobicContact CB-CD1 3.5Å; H86-I798 VanDerWaalsContact ND1-CG2 3.28Å; H86-I798 WeakPolarHBondContact ND1-CG2 3.28Å; F766-I798 HydrophobicContact CE1-CG2 3.64Å; F766-I798 HydrophobicContact CZ-CG2 3.74Å; D777-I798 HydrophobicContact CB-CG2 4.45Å; D777-I798 WeakPolarHBondContact OD1-CA 3.41Å
799	G	82.6	Confident	85.9	Confident	20 Å²	20	57.7 Å²	57.7	21%	0.206	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	95	6.7	-173.7	0	0	0	0	0	115.6	D777 T797	D777-G799 PolarHBondContact OD1-N 2.68Å; T797-G799 PolarHBondContact O-N 3.21Å; T797-G799 VanDerWaalsContact O-N 3.14Å
800	S	87	Confident	86.1	Confident	57 Å²	57	60.9 Å²	60.9	40%	0.399	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	163.1	177.2	-171.9	0	0	0	0	110.6	T797	T797-S800 CarbonylContact C-O 3.58Å; T797-S800 WeakPolarHBondContact CA-O 3.48Å; T797-S800 WeakPolarHBondContact CB-O 3.25Å; T797-S800 PolarHBondContact N-O 3.38Å; T797-S800 PolarHBondContact O-N 2.74Å; T797-S800 PolarHBondContact OG1-O 2.82Å
801	Y	87.6	Confident	86.2	Confident	52 Å²	52	63.3 Å²	63.3	20%	0.204	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	167.7	166.7	58.7	-78.7	0	0	0	111.9	E780 D786 S787 K795	E780-Y801 HydrophobicContact CB-CD1 3.63Å; E780-Y801 HydrophobicContact CB-CE1 4.34Å; E780-Y801 HydrophobicContact CB-CG 4.14Å; E780-Y801 HydrophobicContact CG-CD1 3.71Å; E780-Y801 HydrophobicContact CG-CE1 4.19Å; E780-Y801 WeakPolarHBondContact OE2-CD1 3.23Å; E780-Y801 PolarHBondContact OE2-N 2.89Å; D786-Y801 HydrophobicContact CB-CD1 4.35Å; D786-Y801 HydrophobicContact CB-CD2 3.7Å; D786-Y801 HydrophobicContact CB-CE1 4.49Å; D786-Y801 HydrophobicContact CB-CE2 3.85Å; D786-Y801 HydrophobicContact CB-CG 3.99Å; S787-Y801 WeakPolarHBondContact CB-OH 3.19Å; S787-Y801 VanDerWaalsContact N-CZ 3.27Å; S787-Y801 PolarHBondContact N-OH 2.04Å; S787-Y801 PolarHBondContact OG-OH 2.98Å; K795-Y801 CarbonylContact O-C 3.56Å; K795-Y801 WeakPolarHBondContact O-CA 3.46Å
802	Q	86.4	Confident	86.1	Confident	108 Å²	108	66.3 Å²	66.3	51%	0.505	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137	171.5	-67.5	-178.5	-7.6	0	0	109.9	K795 T797	K795-Q802 PolarHBondContact N-O 2.77Å; K795-Q802 PolarHBondContact O-N 2.99Å; T797-Q802 HydrophobicContact CG2-CG 3.91Å
803	C	88	Confident	85.7	Confident	21 Å²	21	68.8 Å²	68.8	14%	0.142	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.8	177.3	-52.5	0	0	0	0	109.7	C788 T792 E814	C788-C803 WeakPolarHBondContact CA-SG 3.5Å; C788-C803 HydrophobicContact CB-CB 3.76Å; C788-C803 WeakPolarHBondContact CB-SG 3.45Å; C788-C803 VanDerWaalsContact SG-CA 3.52Å; C788-C803 WeakPolarHBondContact SG-CB 3.23Å; C788-C803 CovalentContact SG-SG 2.04Å; C788-C803 PolarHBondContact SG-SG 3.39Å; T792-C803 HydrophobicContact CG2-CB 3.95Å; C803-E814 WeakPolarHBondContact CB-O 3.3Å
804	I	86.3	Confident	85	Confident	72 Å²	72	71.8 Å²	71.8	37%	0.369	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.7	-178.5	-58.7	179.8	0	0	0	108.8	T792 F793 K795	T792-I804 CarbonylContact C-O 3.47Å; T792-I804 VanDerWaalsContact CA-O 3.23Å; T792-I804 WeakPolarHBondContact CA-O 3.38Å; F793-I804 PolarHBondContact N-O 3.2Å; F793-I804 PolarHBondContact O-N 2.98Å; K795-I804 HydrophobicContact CB-CD1 3.86Å; K795-I804 HydrophobicContact CB-CG1 4.37Å; K795-I804 HydrophobicContact CD-CD1 3.66Å; K795-I804 HydrophobicContact CG-CD1 4.4Å
805	C	86.9	Confident	84.3	Confident	30 Å²	30	72.2 Å²	72.2	20%	0.203	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	142.9	177.9	-61.1	0	0	0	0	112.5	Y809 K810 N811 C817	C805-Y809 VanDerWaalsContact CB-O 3.31Å; C805-Y809 WeakPolarHBondContact CB-O 3.41Å; C805-K810 VanDerWaalsContact SG-C 3.52Å; C805-N811 VanDerWaalsContact SG-CA 3.56Å; C805-N811 PolarHBondContact SG-N 2.78Å; C805-C817 WeakPolarHBondContact CA-SG 3.5Å; C805-C817 HydrophobicContact CB-CB 3.75Å; C805-C817 WeakPolarHBondContact CB-SG 3.4Å; C805-C817 WeakPolarHBondContact SG-CB 3.48Å; C805-C817 CovalentContact SG-SG 2.03Å; C805-C817 PolarHBondContact SG-SG 3.19Å
806	K	86.1	Confident	83.7	Confident	81 Å²	81	72 Å²	72	35%	0.352	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-64.2	155.6	169	-64.5	-172.5	-173	-171.5	0	109.6	H791 T792 F793 G808 Y809	H791-K806 WeakPolarHBondContact O-CG 3.03Å; H791-K806 PolarHBondContact O-N 2.83Å; T792-K806 WeakPolarHBondContact O-CE 3.45Å; F793-K806 HydrophobicContact CD2-CG 3.88Å; F793-K806 HydrophobicContact CE1-CD 4.28Å; F793-K806 HydrophobicContact CE1-CG 4.42Å; F793-K806 HydrophobicContact CE2-CB 4.35Å; F793-K806 HydrophobicContact CE2-CD 4.24Å; F793-K806 HydrophobicContact CE2-CG 3.62Å; F793-K806 HydrophobicContact CG-CG 4.41Å; F793-K806 HydrophobicContact CZ-CD 3.99Å; F793-K806 HydrophobicContact CZ-CG 3.91Å; K806-G808 PolarHBondContact O-N 2.87Å; K806-Y809 HydrophobicContact CB-CD2 3.86Å; K806-Y809 HydrophobicContact CB-CE2 4.27Å; K806-Y809 WeakPolarHBondContact O-CB 3.5Å; K806-Y809 WeakPolarHBondContact O-CD2 3.46Å; K806-Y809 PolarHBondContact O-N 3.31Å
807	H	84.8	Confident	83.6	Confident	184 Å²	184	70.1 Å²	70.1	85%	0.852	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	138.3	173.4	-167.5	78.2	0	0	0	110.3	Y809	H807-Y809 WeakPolarHBondContact O-CD2 3.46Å
808	G	84.3	Confident	83.7	Confident	6 Å²	6	71 Å²	71	6%	0.062	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	2	-168.6	0	0	0	0	0	115.4	K806 I820 G844	K806-G808 PolarHBondContact O-N 2.87Å; G808-I820 WeakPolarHBondContact O-CB 3.4Å; G808-I820 WeakPolarHBondContact O-CG1 3.44Å; G808-I820 PolarHBondContact O-N 2.65Å; G808-G844 WeakPolarHBondContact CA-O 3.21Å
809	Y	88.6	Confident	83.9	Confident	30 Å²	30	68.7 Å²	68.7	12%	0.118	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.2	-179.6	-56.8	-102.9	0	0	0	112.3	H791 C805 K806 H807 T818 Q843 G844	H791-Y809 HydrophobicContact CB-CD1 3.41Å; H791-Y809 VanDerWaalsContact CB-CD1 3.41Å; H791-Y809 HydrophobicContact CB-CD2 4.13Å; H791-Y809 HydrophobicContact CB-CE1 3.44Å; H791-Y809 VanDerWaalsContact CB-CE1 3.44Å; H791-Y809 HydrophobicContact CB-CE2 4.19Å; H791-Y809 HydrophobicContact CB-CG 3.78Å; H791-Y809 AromaticContact CD2-CE1 3.82Å; H791-Y809 AromaticContact CE1-CE1 3.87Å; H791-Y809 AromaticContact CE1-CZ 3.96Å; H791-Y809 PolarHBondContact CE1-OH 3.28Å; H791-Y809 AromaticContact CG-CD1 3.69Å; H791-Y809 AromaticContact CG-CE1 3.18Å; H791-Y809 AromaticContact CG-CZ 3.6Å; H791-Y809 AromaticContact ND1-CE1 3.22Å; H791-Y809 WeakPolarHBondContact ND1-CE1 3.37Å; H791-Y809 AromaticContact ND1-CZ 3.17Å; H791-Y809 PolarHBondContact ND1-OH 3.11Å; C805-Y809 VanDerWaalsContact CB-O 3.31Å; C805-Y809 WeakPolarHBondContact CB-O 3.41Å; K806-Y809 HydrophobicContact CB-CD2 3.86Å; K806-Y809 HydrophobicContact CB-CE2 4.27Å; K806-Y809 WeakPolarHBondContact O-CB 3.5Å; K806-Y809 WeakPolarHBondContact O-CD2 3.46Å; K806-Y809 PolarHBondContact O-N 3.31Å; H807-Y809 WeakPolarHBondContact O-CD2 3.46Å; Y809-T818 CarbonylContact C-O 3.35Å; Y809-T818 VanDerWaalsContact CA-O 3.25Å; Y809-T818 WeakPolarHBondContact CA-O 3.06Å; Y809-T818 WeakPolarHBondContact CB-O 3.47Å; Y809-Q843 HydrophobicContact CE1-CG 4.13Å; Y809-Q843 WeakPolarHBondContact OH-CG 3.47Å; Y809-Q843 PolarHBondContact OH-O 3.42Å; Y809-G844 VanDerWaalsContact CZ-CA 3.48Å; Y809-G844 PolarHBondContact OH-N 3.03Å
810	K	85	Confident	84.1	Confident	89 Å²	89	69.8 Å²	69.8	39%	0.387	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.8	176.4	61.5	-171.8	171.1	-166	0	110.8	C805 I812 C817 T818 D819 I820	C805-K810 VanDerWaalsContact SG-C 3.52Å; K810-I812 PolarHBondContact O-N 3.47Å; K810-C817 CarbonylContact O-C 3.58Å; K810-C817 WeakPolarHBondContact O-CA 3.37Å; K810-T818 HydrophobicContact CD-CG2 4.25Å; K810-T818 HydrophobicContact CG-CG2 3.6Å; K810-T818 PolarHBondContact N-O 3.14Å; K810-T818 PolarHBondContact O-N 3.12Å; K810-D819 WeakPolarHBondContact CE-O 3.5Å; K810-I820 HydrophobicContact CB-CD1 4.21Å; K810-I820 HydrophobicContact CB-CG1 3.82Å; K810-I820 HydrophobicContact CD-CG1 4.13Å; K810-I820 HydrophobicContact CG-CG1 3.92Å
811	N	81.4	Confident	84.1	Confident	118 Å²	118	69.6 Å²	69.6	63%	0.631	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.2	-178.8	57.5	-52.1	0	0	0	111.5	C805	C805-N811 VanDerWaalsContact SG-CA 3.56Å; C805-N811 PolarHBondContact SG-N 2.78Å
812	I	81.9	Confident	84.2	Confident	117 Å²	117	68.1 Å²	68.1	60%	0.6	35%	0.345	S	S	*	.	S	Bend	trans	-82.9	-40.4	169.2	-45.6	169.7	0	0	0	109.3	K810 D816 T818	K810-I812 PolarHBondContact O-N 3.47Å; I812-D816 HydrophobicContact CD1-CB 4.17Å; I812-D816 PolarHBondContact N-O 2.95Å; I812-T818 HydrophobicContact CD1-CG2 4.42Å; I812-T818 HydrophobicContact CG1-CG2 3.74Å
813	N	77.9	Confident	84.3	Confident	69 Å²	69	64.8 Å²	64.8	37%	0.369	33%	0.333	S	S	.	.	S	Bend	trans	-146.6	-165.6	-179.9	63	36.5	0	0	0	107.9	T815 D816	N813-T815 VanDerWaalsContact C-N 3.26Å; N813-T815 PolarHBondContact O-N 2.9Å; N813-T815 WeakPolarHBondContact OD1-CA 3.06Å; N813-T815 PolarHBondContact OD1-N 3.42Å; N813-T815 PolarHBondContact OD1-OG1 2.03Å; N813-D816 PolarHBondContact ND2-OD2 3.18Å; N813-D816 PolarHBondContact OD1-N 3.45Å; N813-D816 PolarHBondContact OD1-OD2 2.95Å
814	E	71.2	Confident	84.3	Confident	175 Å²	175	68.2 Å²	68.2	82%	0.818	36%	0.358	S	S	*	.	S	Bend	trans	-76.2	-7.5	-178.1	-66.1	172.8	-177.6	0	0	114.4	C803	C803-E814 WeakPolarHBondContact CB-O 3.3Å
815	T	74.3	Confident	84.1	Confident	44 Å²	44	69.4 Å²	69.4	27%	0.27	36%	0.364	S	S	.	.	S	Bend	trans	-124.3	-27.5	-174.5	48.2	0	0	0	0	115	S787 G789 T792 N813	S787-T815 WeakPolarHBondContact O-CB 3.49Å; S787-T815 WeakPolarHBondContact O-CG2 3.24Å; G789-T815 WeakPolarHBondContact CA-O 3.08Å; G789-T815 PolarHBondContact N-O 3.45Å; T792-T815 VanDerWaalsContact CG2-O 3.29Å; T792-T815 WeakPolarHBondContact CG2-O 3.44Å; N813-T815 VanDerWaalsContact C-N 3.26Å; N813-T815 PolarHBondContact O-N 2.9Å; N813-T815 WeakPolarHBondContact OD1-CA 3.06Å; N813-T815 PolarHBondContact OD1-N 3.42Å; N813-T815 PolarHBondContact OD1-OG1 2.03Å
816	D	77.6	Confident	84	Confident	61 Å²	61	72.4 Å²	72.4	33%	0.326	37%	0.373	S	S	.	.			trans	-117	139.4	-170.9	-62.7	-67.8	0	0	0	112.5	I812 N813	I812-D816 HydrophobicContact CD1-CB 4.17Å; I812-D816 PolarHBondContact N-O 2.95Å; N813-D816 PolarHBondContact ND2-OD2 3.18Å; N813-D816 PolarHBondContact OD1-N 3.45Å; N813-D816 PolarHBondContact OD1-OD2 2.95Å
817	C	85.3	Confident	83.7	Confident	11 Å²	11	72.1 Å²	72.1	7%	0.074	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.6	-179.9	-61.2	0	0	0	0	110.8	H791 T792 C805 K810	H791-C817 HydrophobicContact CB-CB 4.39Å; T792-C817 HydrophobicContact CG2-CB 4.49Å; T792-C817 VanDerWaalsContact CG2-SG 3.6Å; C805-C817 WeakPolarHBondContact CA-SG 3.5Å; C805-C817 HydrophobicContact CB-CB 3.75Å; C805-C817 WeakPolarHBondContact CB-SG 3.4Å; C805-C817 WeakPolarHBondContact SG-CB 3.48Å; C805-C817 CovalentContact SG-SG 2.03Å; C805-C817 PolarHBondContact SG-SG 3.19Å; K810-C817 CarbonylContact O-C 3.58Å; K810-C817 WeakPolarHBondContact O-CA 3.37Å
818	T	88.8	Confident	83.2	Confident	60 Å²	60	68.6 Å²	68.6	37%	0.368	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	152.7	170.1	-168.8	0	0	0	0	109.9	Y809 K810 I812	Y809-T818 CarbonylContact C-O 3.35Å; Y809-T818 VanDerWaalsContact CA-O 3.25Å; Y809-T818 WeakPolarHBondContact CA-O 3.06Å; Y809-T818 WeakPolarHBondContact CB-O 3.47Å; K810-T818 HydrophobicContact CD-CG2 4.25Å; K810-T818 HydrophobicContact CG-CG2 3.6Å; K810-T818 PolarHBondContact N-O 3.14Å; K810-T818 PolarHBondContact O-N 3.12Å; I812-T818 HydrophobicContact CD1-CG2 4.42Å; I812-T818 HydrophobicContact CG1-CG2 3.74Å
819	D	89.1	Confident	82.8	Confident	37 Å²	37	71.8 Å²	71.8	20%	0.198	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	139.8	168.8	-164.8	40.3	0	0	0	112.2	K810 D821 N841 Q843 G844	K810-D819 WeakPolarHBondContact CE-O 3.5Å; D819-D821 PolarHBondContact O-N 2.86Å; D819-N841 PolarHBondContact OD2-ND2 3.13Å; D819-Q843 WeakPolarHBondContact OD1-CA 3.04Å; D819-G844 PolarHBondContact OD1-N 3.15Å
820	I	87.3	Confident	82.3	Confident	44 Å²	44	76 Å²	76	23%	0.226	42%	0.418	C	S	.	.			trans	-88.7	103.3	171	-61.3	175.9	0	0	0	107.3	G808 K810 E822 I825 N841	G808-I820 WeakPolarHBondContact O-CB 3.4Å; G808-I820 WeakPolarHBondContact O-CG1 3.44Å; G808-I820 PolarHBondContact O-N 2.65Å; K810-I820 HydrophobicContact CB-CD1 4.21Å; K810-I820 HydrophobicContact CB-CG1 3.82Å; K810-I820 HydrophobicContact CD-CG1 4.13Å; K810-I820 HydrophobicContact CG-CG1 3.92Å; I820-E822 VanDerWaalsContact C-N 3.26Å; I820-E822 HydrophobicContact CB-CG 4.48Å; I820-E822 HydrophobicContact CG2-CG 3.94Å; I820-E822 WeakPolarHBondContact O-CG 3.48Å; I820-E822 PolarHBondContact O-N 3.01Å; I820-I825 HydrophobicContact CG2-CD1 3.5Å; I820-N841 PolarHBondContact O-OD1 3.02Å
821	D	88.4	Confident	82.1	Confident	52 Å²	52	71.9 Å²	71.9	28%	0.278	40%	0.401	S	S	.	.			trans	-66.9	86.8	170.1	-177.2	2	0	0	0	111	D819 C823 S824 I825 N841	D819-D821 PolarHBondContact O-N 2.86Å; D821-C823 PolarHBondContact O-N 2.67Å; D821-C823 WeakPolarHBondContact OD1-CB 3.44Å; D821-C823 PolarHBondContact OD1-N 3.08Å; D821-S824 VanDerWaalsContact CG-OG 3.28Å; D821-S824 PolarHBondContact O-N 2.83Å; D821-S824 VanDerWaalsContact O-N 3.11Å; D821-S824 PolarHBondContact OD1-N 3.49Å; D821-S824 VanDerWaalsContact OD1-N 3.15Å; D821-S824 VanDerWaalsContact OD2-CB 3.25Å; D821-S824 WeakPolarHBondContact OD2-CB 3.41Å; D821-S824 PolarHBondContact OD2-OG 3.26Å; D821-I825 WeakPolarHBondContact O-CD1 3.44Å; D821-I825 WeakPolarHBondContact O-CG1 3.43Å; D821-I825 PolarHBondContact O-N 2.96Å; D821-N841 WeakPolarHBondContact OD1-CB 3.48Å
822	E	88.6	Confident	82.4	Confident	22 Å²	22	66.5 Å²	66.5	10%	0.103	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-66.6	-26.1	-178.5	-68	119.2	170.6	0	0	111.9	I820 S824 I825 F826 S845 Y846	I820-E822 VanDerWaalsContact C-N 3.26Å; I820-E822 HydrophobicContact CB-CG 4.48Å; I820-E822 HydrophobicContact CG2-CG 3.94Å; I820-E822 WeakPolarHBondContact O-CG 3.48Å; I820-E822 PolarHBondContact O-N 3.01Å; E822-S824 VanDerWaalsContact C-N 3.27Å; E822-S824 PolarHBondContact O-N 2.04Å; E822-I825 PolarHBondContact O-N 3.02Å; E822-F826 HydrophobicContact CB-CD2 3.86Å; E822-F826 HydrophobicContact CB-CE2 3.89Å; E822-F826 HydrophobicContact CG-CD2 4.45Å; E822-F826 HydrophobicContact CG-CE2 3.97Å; E822-F826 WeakPolarHBondContact O-CD2 3.02Å; E822-F826 PolarHBondContact O-N 3.14Å; E822-S845 WeakPolarHBondContact OE2-CA 3.49Å; E822-Y846 HydrophobicContact CB-CD1 3.42Å; E822-Y846 VanDerWaalsContact CB-CD1 3.42Å; E822-Y846 HydrophobicContact CB-CE1 4.11Å; E822-Y846 HydrophobicContact CB-CG 4.01Å; E822-Y846 HydrophobicContact CG-CD1 3.84Å; E822-Y846 HydrophobicContact CG-CE1 4.42Å; E822-Y846 WeakPolarHBondContact OE2-CD1 3.39Å; E822-Y846 PolarHBondContact OE2-N 2.85Å
823	C	89.2	Confident	82.5	Confident	38 Å²	38	64.5 Å²	64.5	26%	0.257	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-72.5	-18.6	174	-54.3	0	0	0	0	113.4	D821 C839 V840 N841	D821-C823 PolarHBondContact O-N 2.67Å; D821-C823 WeakPolarHBondContact OD1-CB 3.44Å; D821-C823 PolarHBondContact OD1-N 3.08Å; C823-C839 WeakPolarHBondContact CA-SG 3.46Å; C823-C839 HydrophobicContact CB-CB 3.77Å; C823-C839 WeakPolarHBondContact CB-SG 3.08Å; C823-C839 WeakPolarHBondContact SG-CB 3.07Å; C823-C839 CovalentContact SG-SG 2.03Å; C823-C839 PolarHBondContact SG-SG 3.37Å; C823-V840 VanDerWaalsContact SG-C 3.53Å; C823-V840 PolarHBondContact SG-N 3.48Å; C823-V840 VanDerWaalsContact SG-N 3.45Å; C823-N841 PolarHBondContact SG-N 2.9Å
824	S	87.2	Confident	82.8	Confident	93 Å²	93	62.1 Å²	62.1	65%	0.65	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-96.7	-3.4	171.5	-71.3	0	0	0	0	113.7	D821 E822	D821-S824 VanDerWaalsContact CG-OG 3.28Å; D821-S824 PolarHBondContact O-N 2.83Å; D821-S824 VanDerWaalsContact O-N 3.11Å; D821-S824 PolarHBondContact OD1-N 3.49Å; D821-S824 VanDerWaalsContact OD1-N 3.15Å; D821-S824 VanDerWaalsContact OD2-CB 3.25Å; D821-S824 WeakPolarHBondContact OD2-CB 3.41Å; D821-S824 PolarHBondContact OD2-OG 3.26Å; E822-S824 VanDerWaalsContact C-N 3.27Å; E822-S824 PolarHBondContact O-N 2.04Å
825	I	83.1	Confident	83.5	Confident	97 Å²	97	59.8 Å²	59.8	50%	0.497	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-47.4	-175	-71	166.7	0	0	0	111.6	I820 D821 E822	I820-I825 HydrophobicContact CG2-CD1 3.5Å; D821-I825 WeakPolarHBondContact O-CD1 3.44Å; D821-I825 WeakPolarHBondContact O-CG1 3.43Å; D821-I825 PolarHBondContact O-N 2.96Å; E822-I825 PolarHBondContact O-N 3.02Å
826	F	83.4	Confident	84	Confident	92 Å²	92	62.6 Å²	62.6	40%	0.404	36%	0.363	S	S	.	.	S	Bend	trans	-83.7	151	176.3	-61.1	-53.4	0	0	0	110.8	E822 E830 S831 Y846	E822-F826 HydrophobicContact CB-CD2 3.86Å; E822-F826 HydrophobicContact CB-CE2 3.89Å; E822-F826 HydrophobicContact CG-CD2 4.45Å; E822-F826 HydrophobicContact CG-CE2 3.97Å; E822-F826 WeakPolarHBondContact O-CD2 3.02Å; E822-F826 PolarHBondContact O-N 3.14Å; F826-E830 HydrophobicContact CB-CB 3.97Å; F826-S831 WeakPolarHBondContact CB-OG 3.45Å; F826-Y846 HydrophobicContact CE2-CE1 4.4Å
827	T	80.1	Confident	84.5	Confident	75 Å²	75	60.4 Å²	60.4	46%	0.46	35%	0.353	S	S	.	.			trans	-69.5	157.4	169	66.2	0	0	0	0	110.3	A829 E830 S831	T827-A829 PolarHBondContact O-N 3.33Å; T827-E830 VanDerWaalsContact CB-OE2 3.27Å; T827-E830 WeakPolarHBondContact CB-OE2 3.04Å; T827-E830 WeakPolarHBondContact CG2-OE2 3.38Å; T827-E830 PolarHBondContact N-OE2 3.24Å; T827-E830 WeakPolarHBondContact O-CA 3.41Å; T827-E830 WeakPolarHBondContact O-CB 3.27Å; T827-E830 PolarHBondContact O-N 2.04Å; T827-E830 VanDerWaalsContact OG1-CD 3.24Å; T827-E830 WeakPolarHBondContact OG1-CG 3.21Å; T827-E830 PolarHBondContact OG1-OE2 3.06Å; T827-S831 PolarHBondContact O-N 2.88Å; T827-S831 PolarHBondContact O-OG 3.34Å
828	P	75.2	Confident	84.7	Confident	111 Å²	111	68.1 Å²	68.1	72%	0.721	38%	0.381	S	S	*	.	H	α-helix	trans	-54	-33.6	-177.3	-29.6	36.4	0	0	0	114.6	C832	P828-C832 CarbonylContact O-C 3.49Å; P828-C832 PolarHBondContact O-N 2.92Å; P828-C832 VanDerWaalsContact O-O 3.07Å
829	A	74.6	Confident	84.7	Confident	72 Å²	72	66.5 Å²	66.5	60%	0.595	37%	0.371	S	S	*	.	H	α-helix	trans	-76	-21.2	177.8	0	0	0	0	0	113.9	T827	T827-A829 PolarHBondContact O-N 3.33Å
830	E	79.1	Confident	84.8	Confident	118 Å²	118	67 Å²	67	55%	0.551	38%	0.376	S	S	*	.	H	α-helix	trans	-88.2	-39.3	174.7	-69.4	163.9	137.9	0	0	111.1	F826 T827	F826-E830 HydrophobicContact CB-CB 3.97Å; T827-E830 VanDerWaalsContact CB-OE2 3.27Å; T827-E830 WeakPolarHBondContact CB-OE2 3.04Å; T827-E830 WeakPolarHBondContact CG2-OE2 3.38Å; T827-E830 PolarHBondContact N-OE2 3.24Å; T827-E830 WeakPolarHBondContact O-CA 3.41Å; T827-E830 WeakPolarHBondContact O-CB 3.27Å; T827-E830 PolarHBondContact O-N 2.04Å; T827-E830 VanDerWaalsContact OG1-CD 3.24Å; T827-E830 WeakPolarHBondContact OG1-CG 3.21Å; T827-E830 PolarHBondContact OG1-OE2 3.06Å
831	S	81	Confident	84.9	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.028	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-55.7	172.8	-41.5	0	0	0	0	110.9	F826 T827 Y846 C848	F826-S831 WeakPolarHBondContact CB-OG 3.45Å; T827-S831 PolarHBondContact O-N 2.88Å; T827-S831 PolarHBondContact O-OG 3.34Å; S831-Y846 WeakPolarHBondContact O-CE2 3.44Å; S831-Y846 PolarHBondContact O-OH 3.14Å; S831-C848 PolarHBondContact O-SG 3.43Å; S831-C848 VanDerWaalsContact O-SG 3.36Å
832	C	86.4	Confident	84.9	Confident	4 Å²	4	67.3 Å²	67.3	3%	0.027	38%	0.38	C	S	.	.			trans	-137	94	-172.1	-59.2	0	0	0	0	109.9	P828 D834 A837 C848 W856	P828-C832 CarbonylContact O-C 3.49Å; P828-C832 PolarHBondContact O-N 2.92Å; P828-C832 VanDerWaalsContact O-O 3.07Å; C832-D834 PolarHBondContact O-N 2.04Å; C832-A837 HydrophobicContact CB-CB 3.89Å; C832-C848 VanDerWaalsContact CA-SG 3.51Å; C832-C848 HydrophobicContact CB-CB 3.98Å; C832-C848 WeakPolarHBondContact CB-SG 3.06Å; C832-C848 VanDerWaalsContact SG-CA 3.51Å; C832-C848 WeakPolarHBondContact SG-CB 3.06Å; C832-C848 CovalentContact SG-SG 2.04Å; C832-C848 PolarHBondContact SG-SG 3.42Å; C832-W856 HydrophobicContact CB-CH2 4.41Å
833	P	84.2	Confident	84.7	Confident	75 Å²	75	72.9 Å²	72.9	49%	0.487	41%	0.406	S	S	.	.	S	Bend	trans	-56.8	-24.8	-173.2	-31.5	37.4	0	0	0	116.5	L862	P833-L862 HydrophobicContact CG-CB 4.42Å; P833-L862 HydrophobicContact CG-CD1 4.48Å
834	D	85.7	Confident	84.4	Confident	20 Å²	20	71.9 Å²	71.9	11%	0.107	40%	0.402	C	S	.	.	S	Bend	trans	-85.2	116.8	171	-172.8	-25.7	0	0	0	110.8	C832 R836 A837 W856 K863 C864	C832-D834 PolarHBondContact O-N 2.04Å; D834-R836 PolarHBondContact O-N 2.04Å; D834-R836 WeakPolarHBondContact OD1-CB 3.47Å; D834-R836 WeakPolarHBondContact OD1-CG 3.41Å; D834-R836 IonicContact OD1-CZ 2.65Å; D834-R836 PolarHBondContact OD1-N 2.86Å; D834-R836 IonicContact OD1-NE 2.74Å; D834-R836 PolarHBondContact OD1-NE 2.81Å; D834-R836 IonicContact OD1-NH2 3.88Å; D834-R836 IonicContact OD2-CZ 3.62Å; D834-R836 IonicContact OD2-NE 3.14Å; D834-R836 PolarHBondContact OD2-NE 2.96Å; D834-R836 IonicContact OD2-NH2 2.64Å; D834-R836 PolarHBondContact OD2-NH2 3.31Å; D834-A837 WeakPolarHBondContact O-CB 3.46Å; D834-A837 PolarHBondContact O-N 2.81Å; D834-W856 HydrophobicContact CB-CZ3 4.09Å; D834-K863 HydrophobicContact CB-CB 4.25Å; D834-K863 WeakPolarHBondContact OD2-CA 3.31Å; D834-K863 WeakPolarHBondContact OD2-CB 3.43Å; D834-C864 PolarHBondContact OD2-N 3.38Å
835	S	84.6	Confident	84.4	Confident	125 Å²	125	70.2 Å²	70.2	87%	0.874	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-8.6	-178.1	58.1	0	0	0	0	115.4
836	R	85.2	Confident	84.6	Confident	104 Å²	104	68.8 Å²	68.8	39%	0.392	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-24.2	171.4	-62.3	173.1	-69.1	161.4	-3.9	113	D834 P851 C864	D834-R836 PolarHBondContact O-N 2.04Å; D834-R836 WeakPolarHBondContact OD1-CB 3.47Å; D834-R836 WeakPolarHBondContact OD1-CG 3.41Å; D834-R836 IonicContact OD1-CZ 2.65Å; D834-R836 PolarHBondContact OD1-N 2.86Å; D834-R836 IonicContact OD1-NE 2.74Å; D834-R836 PolarHBondContact OD1-NE 2.81Å; D834-R836 IonicContact OD1-NH2 3.88Å; D834-R836 IonicContact OD2-CZ 3.62Å; D834-R836 IonicContact OD2-NE 3.14Å; D834-R836 PolarHBondContact OD2-NE 2.96Å; D834-R836 IonicContact OD2-NH2 2.64Å; D834-R836 PolarHBondContact OD2-NH2 3.31Å; R836-P851 HydrophobicContact CB-CG 4.19Å; R836-P851 VanDerWaalsContact O-CD 3.29Å; R836-P851 WeakPolarHBondContact O-CD 3.02Å; R836-P851 WeakPolarHBondContact O-CG 3.33Å; R836-C864 VanDerWaalsContact CZ-O 3.31Å; R836-C864 PolarHBondContact NH1-O 3.16Å; R836-C864 PolarHBondContact NH2-O 2.99Å
837	A	88	Confident	84.8	Confident	14 Å²	14	67.6 Å²	67.6	12%	0.116	38%	0.38	C	S	.	.			trans	-82.9	139.2	179.9	0	0	0	0	0	111.5	C832 D834 C848 V849 W856	C832-A837 HydrophobicContact CB-CB 3.89Å; D834-A837 WeakPolarHBondContact O-CB 3.46Å; D834-A837 PolarHBondContact O-N 2.81Å; A837-C848 HydrophobicContact CB-CB 4.11Å; A837-V849 WeakPolarHBondContact CA-O 3.23Å; A837-W856 HydrophobicContact CB-CE3 3.99Å; A837-W856 HydrophobicContact CB-CZ3 3.69Å
838	R	88.9	Confident	85.3	Confident	173 Å²	173	64.6 Å²	64.6	65%	0.653	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.2	171.3	-172.5	-171.7	66.6	-159.7	-4.8	109.4	V840 V849	R838-V840 PolarHBondContact O-N 3.16Å; R838-V849 PolarHBondContact N-O 2.95Å; R838-V849 PolarHBondContact O-N 3.21Å
839	C	90.4	Very high	86	Confident	26 Å²	26	62.4 Å²	62.4	18%	0.176	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	129.8	167.9	-168.6	0	0	0	0	110	C823	C823-C839 WeakPolarHBondContact CA-SG 3.46Å; C823-C839 HydrophobicContact CB-CB 3.77Å; C823-C839 WeakPolarHBondContact CB-SG 3.08Å; C823-C839 WeakPolarHBondContact SG-CB 3.07Å; C823-C839 CovalentContact SG-SG 2.03Å; C823-C839 PolarHBondContact SG-SG 3.37Å
840	V	91.1	Very high	86.8	Confident	47 Å²	47	59.9 Å²	59.9	29%	0.285	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.3	170.3	177.4	0	0	0	0	107.4	C823 R838 V847 V849	C823-V840 VanDerWaalsContact SG-C 3.53Å; C823-V840 PolarHBondContact SG-N 3.48Å; C823-V840 VanDerWaalsContact SG-N 3.45Å; R838-V840 PolarHBondContact O-N 3.16Å; V840-V847 HydrophobicContact CB-CG2 4.2Å; V840-V847 PolarHBondContact N-O 2.87Å; V840-V847 PolarHBondContact O-N 3.43Å; V840-V849 HydrophobicContact CB-CG2 3.95Å; V840-V849 HydrophobicContact CG2-CB 4.13Å; V840-V849 HydrophobicContact CG2-CG2 3.58Å
841	N	89	Confident	87.2	Confident	47 Å²	47	56.9 Å²	56.9	25%	0.251	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	139.9	-179.8	-174	50.3	0	0	0	111	D819 I820 D821 C823	D819-N841 PolarHBondContact OD2-ND2 3.13Å; I820-N841 PolarHBondContact O-OD1 3.02Å; D821-N841 WeakPolarHBondContact OD1-CB 3.48Å; C823-N841 PolarHBondContact SG-N 2.9Å
842	T	87.7	Confident	87.4	Confident	57 Å²	57	65.7 Å²	65.7	35%	0.35	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	164.1	175.7	88.4	0	0	0	0	110.4	G844 S845 V847	T842-G844 PolarHBondContact O-N 2.95Å; T842-S845 CarbonylContact C-O 3.51Å; T842-S845 VanDerWaalsContact C-O 3.25Å; T842-S845 VanDerWaalsContact CA-O 3.26Å; T842-S845 WeakPolarHBondContact CA-O 3.46Å; T842-S845 VanDerWaalsContact CB-O 3.26Å; T842-S845 WeakPolarHBondContact CB-O 3.41Å; T842-S845 PolarHBondContact N-O 2.97Å; T842-S845 CarbonylContact O-C 3.4Å; T842-S845 PolarHBondContact O-N 2.99Å; T842-S845 PolarHBondContact OG1-O 3.3Å; T842-V847 HydrophobicContact CG2-CG1 4.18Å; T842-V847 HydrophobicContact CG2-CG2 3.83Å
843	Q	84.9	Confident	87.3	Confident	138 Å²	138	66.3 Å²	66.3	65%	0.645	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	92.2	-166	-171.7	165.1	14.7	0	0	113	H791 Y809 D819	H791-Q843 PolarHBondContact CE1-NE2 2.87Å; H791-Q843 PolarHBondContact NE2-NE2 3.01Å; Y809-Q843 HydrophobicContact CE1-CG 4.13Å; Y809-Q843 WeakPolarHBondContact OH-CG 3.47Å; Y809-Q843 PolarHBondContact OH-O 3.42Å; D819-Q843 WeakPolarHBondContact OD1-CA 3.04Å
844	G	83	Confident	87.6	Confident	17 Å²	17	64.4 Å²	64.4	18%	0.175	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	9.9	-177.5	0	0	0	0	0	115.7	G808 Y809 D819 T842	G808-G844 WeakPolarHBondContact CA-O 3.21Å; Y809-G844 VanDerWaalsContact CZ-CA 3.48Å; Y809-G844 PolarHBondContact OH-N 3.03Å; D819-G844 PolarHBondContact OD1-N 3.15Å; T842-G844 PolarHBondContact O-N 2.95Å
845	S	86.1	Confident	87.8	Confident	59 Å²	59	67.2 Å²	67.2	41%	0.413	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	147.2	174.8	-178.5	0	0	0	0	110.8	E822 T842	E822-S845 WeakPolarHBondContact OE2-CA 3.49Å; T842-S845 CarbonylContact C-O 3.51Å; T842-S845 VanDerWaalsContact C-O 3.25Å; T842-S845 VanDerWaalsContact CA-O 3.26Å; T842-S845 WeakPolarHBondContact CA-O 3.46Å; T842-S845 VanDerWaalsContact CB-O 3.26Å; T842-S845 WeakPolarHBondContact CB-O 3.41Å; T842-S845 PolarHBondContact N-O 2.97Å; T842-S845 CarbonylContact O-C 3.4Å; T842-S845 PolarHBondContact O-N 2.99Å; T842-S845 PolarHBondContact OG1-O 3.3Å
846	Y	88.1	Confident	87.9	Confident	67 Å²	67	64.6 Å²	64.6	26%	0.263	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	160.5	167.1	71.6	-80.2	0	0	0	114	E822 F826 S831	E822-Y846 HydrophobicContact CB-CD1 3.42Å; E822-Y846 VanDerWaalsContact CB-CD1 3.42Å; E822-Y846 HydrophobicContact CB-CE1 4.11Å; E822-Y846 HydrophobicContact CB-CG 4.01Å; E822-Y846 HydrophobicContact CG-CD1 3.84Å; E822-Y846 HydrophobicContact CG-CE1 4.42Å; E822-Y846 WeakPolarHBondContact OE2-CD1 3.39Å; E822-Y846 PolarHBondContact OE2-N 2.85Å; F826-Y846 HydrophobicContact CE2-CE1 4.4Å; S831-Y846 WeakPolarHBondContact O-CE2 3.44Å; S831-Y846 PolarHBondContact O-OH 3.14Å
847	V	88.3	Confident	87.8	Confident	67 Å²	67	62.6 Å²	62.6	41%	0.406	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.8	169.5	-60.8	0	0	0	0	111.4	V840 T842 V849	V840-V847 HydrophobicContact CB-CG2 4.2Å; V840-V847 PolarHBondContact N-O 2.87Å; V840-V847 PolarHBondContact O-N 3.43Å; T842-V847 HydrophobicContact CG2-CG1 4.18Å; T842-V847 HydrophobicContact CG2-CG2 3.83Å; V847-V849 HydrophobicContact CG2-CG2 4Å
848	C	89.8	Confident	87.4	Confident	12 Å²	12	63 Å²	63	8%	0.081	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106.6	174.8	-69.2	0	0	0	0	110.1	S831 C832 A837 W856	S831-C848 PolarHBondContact O-SG 3.43Å; S831-C848 VanDerWaalsContact O-SG 3.36Å; C832-C848 VanDerWaalsContact CA-SG 3.51Å; C832-C848 HydrophobicContact CB-CB 3.98Å; C832-C848 WeakPolarHBondContact CB-SG 3.06Å; C832-C848 VanDerWaalsContact SG-CA 3.51Å; C832-C848 WeakPolarHBondContact SG-CB 3.06Å; C832-C848 CovalentContact SG-SG 2.04Å; C832-C848 PolarHBondContact SG-SG 3.42Å; A837-C848 HydrophobicContact CB-CB 4.11Å; C848-W856 HydrophobicContact CB-CD2 3.58Å; C848-W856 HydrophobicContact CB-CE3 3.78Å; C848-W856 HydrophobicContact CB-CG 4.14Å; C848-W856 HydrophobicContact CB-CH2 3.92Å; C848-W856 HydrophobicContact CB-CZ2 3.72Å; C848-W856 HydrophobicContact CB-CZ3 3.94Å
849	V	89.3	Confident	86.7	Confident	64 Å²	64	64.4 Å²	64.4	39%	0.388	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	112.9	-178.9	-177.7	0	0	0	0	109.4	A837 R838 V840 V847	A837-V849 WeakPolarHBondContact CA-O 3.23Å; R838-V849 PolarHBondContact N-O 2.95Å; R838-V849 PolarHBondContact O-N 3.21Å; V840-V849 HydrophobicContact CB-CG2 3.95Å; V840-V849 HydrophobicContact CG2-CB 4.13Å; V840-V849 HydrophobicContact CG2-CG2 3.58Å; V847-V849 HydrophobicContact CG2-CG2 4Å
850	C	91.1	Very high	86	Confident	19 Å²	19	67.8 Å²	67.8	13%	0.128	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-71.5	164.7	172.8	-66.3	0	0	0	0	112.2	F854 C864	C850-F854 HydrophobicContact CB-CB 3.69Å; C850-C864 HydrophobicContact CB-CB 3.9Å; C850-C864 WeakPolarHBondContact CB-SG 3.41Å; C850-C864 WeakPolarHBondContact SG-CA 3.3Å; C850-C864 WeakPolarHBondContact SG-CB 3.37Å; C850-C864 CovalentContact SG-SG 2.04Å; C850-C864 PolarHBondContact SG-SG 2.76Å
851	P	87.6	Confident	85.5	Confident	56 Å²	56	69.4 Å²	69.4	36%	0.364	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-66.3	165	172.2	-15.6	31.8	0	0	0	111.5	R836 G853 F854	R836-P851 HydrophobicContact CB-CG 4.19Å; R836-P851 VanDerWaalsContact O-CD 3.29Å; R836-P851 WeakPolarHBondContact O-CD 3.02Å; R836-P851 WeakPolarHBondContact O-CG 3.33Å; P851-G853 PolarHBondContact O-N 3.25Å; P851-F854 HydrophobicContact CB-CD2 4.13Å; P851-F854 HydrophobicContact CG-CD2 4.31Å; P851-F854 PolarHBondContact O-N 3.11Å; P851-F854 VanDerWaalsContact O-N 3.09Å
852	E	85.3	Confident	85.3	Confident	188 Å²	188	70.2 Å²	70.2	88%	0.879	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	140.3	170.8	-63.8	-174.5	169.7	0	0	110.9
853	G	85.7	Confident	85.3	Confident	17 Å²	17	71.7 Å²	71.7	18%	0.175	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	1.3	-171.3	0	0	0	0	0	115.1	P851 V867	P851-G853 PolarHBondContact O-N 3.25Å; G853-V867 PolarHBondContact O-N 2.94Å
854	F	90.1	Very high	85.5	Confident	36 Å²	36	65.3 Å²	65.3	16%	0.158	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.1	179.9	-61.7	-87.7	0	0	0	113.6	C850 P851 C864 K865 D866 I887 G888	C850-F854 HydrophobicContact CB-CB 3.69Å; P851-F854 HydrophobicContact CB-CD2 4.13Å; P851-F854 HydrophobicContact CG-CD2 4.31Å; P851-F854 PolarHBondContact O-N 3.11Å; P851-F854 VanDerWaalsContact O-N 3.09Å; F854-C864 HydrophobicContact CB-CB 4.06Å; F854-C864 HydrophobicContact CD1-CB 4.35Å; F854-C864 HydrophobicContact CG-CB 4.41Å; F854-K865 CarbonylContact C-O 3.57Å; F854-K865 VanDerWaalsContact CA-O 3.25Å; F854-K865 WeakPolarHBondContact CA-O 3.35Å; F854-D866 HydrophobicContact CE1-CB 4.38Å; F854-I887 HydrophobicContact CE1-CG2 4.01Å; F854-I887 HydrophobicContact CZ-CG2 3.83Å; F854-G888 VanDerWaalsContact CE2-CA 3.5Å
855	I	88.8	Confident	85.8	Confident	78 Å²	78	70.2 Å²	70.2	40%	0.4	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.5	173.2	47.5	169.7	0	0	0	111.7	C864 K865 V867	I855-C864 CarbonylContact O-C 3.58Å; I855-C864 WeakPolarHBondContact O-CA 3.28Å; I855-K865 HydrophobicContact CG1-CB 4.29Å; I855-K865 PolarHBondContact N-O 3.14Å; I855-K865 PolarHBondContact O-N 2.86Å; I855-V867 HydrophobicContact CB-CG2 4.19Å; I855-V867 HydrophobicContact CG1-CG2 3.95Å; I855-V867 HydrophobicContact CG2-CG2 3.63Å
856	W	87.8	Confident	86	Confident	71 Å²	71	69.2 Å²	69.2	27%	0.269	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.7	173.7	-175.9	-109.9	0	0	0	110.5	C832 D834 A837 C848 L862	C832-W856 HydrophobicContact CB-CH2 4.41Å; D834-W856 HydrophobicContact CB-CZ3 4.09Å; A837-W856 HydrophobicContact CB-CE3 3.99Å; A837-W856 HydrophobicContact CB-CZ3 3.69Å; C848-W856 HydrophobicContact CB-CD2 3.58Å; C848-W856 HydrophobicContact CB-CE3 3.78Å; C848-W856 HydrophobicContact CB-CG 4.14Å; C848-W856 HydrophobicContact CB-CH2 3.92Å; C848-W856 HydrophobicContact CB-CZ2 3.72Å; C848-W856 HydrophobicContact CB-CZ3 3.94Å; W856-L862 HydrophobicContact CH2-CB 4.4Å; W856-L862 WeakPolarHBondContact CH2-O 3.19Å; W856-L862 HydrophobicContact CZ2-CB 4.35Å; W856-L862 HydrophobicContact CZ2-CD2 4Å
857	L	83.8	Confident	86.2	Confident	61 Å²	61	66.9 Å²	66.9	32%	0.319	34%	0.344	S	S	.	.			trans	-81	-11.1	-178.3	-70.7	179.6	0	0	0	115	D861 K863 K865	L857-D861 HydrophobicContact CB-CB 3.67Å; L857-D861 HydrophobicContact CD1-CB 3.68Å; L857-D861 HydrophobicContact CG-CB 4.35Å; L857-K863 HydrophobicContact CD1-CG 4.13Å; L857-K863 PolarHBondContact N-O 3.05Å; L857-K863 VanDerWaalsContact N-O 3.14Å; L857-K865 HydrophobicContact CD1-CB 3.84Å; L857-K865 HydrophobicContact CD1-CD 4.23Å; L857-K865 HydrophobicContact CD1-CG 4.5Å; L857-K865 HydrophobicContact CD2-CB 3.96Å; L857-K865 HydrophobicContact CD2-CD 3.86Å; L857-K865 HydrophobicContact CG-CB 3.8Å; L857-K865 HydrophobicContact CG-CD 4.45Å
858	G	78.8	Confident	86.3	Confident	22 Å²	22	66.7 Å²	66.7	23%	0.227	34%	0.341	C	S	.	.			trans	69.2	-165.1	-172.8	0	0	0	0	0	113.1	D861 L862	G858-D861 PolarHBondContact O-N 2.81Å; G858-L862 WeakPolarHBondContact O-CA 3.35Å; G858-L862 PolarHBondContact O-N 3.25Å
859	Y	74.6	Confident	86.4	Confident	204 Å²	204	67.5 Å²	67.5	80%	0.8	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	139.5	175.6	-179	-88.3	0	0	0	110.5	L862	Y859-L862 HydrophobicContact CD2-CD1 4.35Å
860	P	76	Confident	86.5	Confident	96 Å²	96	65.6 Å²	65.6	62%	0.623	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91	-8.8	5.4	36.1	-36.6	0	0	0	114.9	L862	P860-L862 PolarHBondContact O-N 2.9Å
861	D	80.4	Confident	86.5	Confident	82 Å²	82	69.5 Å²	69.5	44%	0.439	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-29.1	-168.8	-94.5	-43	0	0	0	114.6	L857 G858 K863	L857-D861 HydrophobicContact CB-CB 3.67Å; L857-D861 HydrophobicContact CD1-CB 3.68Å; L857-D861 HydrophobicContact CG-CB 4.35Å; G858-D861 PolarHBondContact O-N 2.81Å; D861-K863 HydrophobicContact CB-CG 4.41Å; D861-K863 WeakPolarHBondContact O-CB 3.48Å; D861-K863 WeakPolarHBondContact O-CD 3.02Å; D861-K863 VanDerWaalsContact O-CG 3.28Å; D861-K863 WeakPolarHBondContact O-CG 3.39Å; D861-K863 PolarHBondContact O-N 3.1Å; D861-K863 VanDerWaalsContact OD1-CE 3.26Å; D861-K863 WeakPolarHBondContact OD1-CE 3.43Å; D861-K863 IonicContact OD1-NZ 2.84Å; D861-K863 PolarHBondContact OD1-NZ 3.04Å
862	L	84.7	Confident	86.5	Confident	64 Å²	64	73.5 Å²	73.5	34%	0.335	37%	0.37	S	S	.	.			trans	44.7	38.2	171.4	-61.8	175	0	0	0	115.4	P833 W856 G858 Y859 P860	P833-L862 HydrophobicContact CG-CB 4.42Å; P833-L862 HydrophobicContact CG-CD1 4.48Å; W856-L862 HydrophobicContact CH2-CB 4.4Å; W856-L862 WeakPolarHBondContact CH2-O 3.19Å; W856-L862 HydrophobicContact CZ2-CB 4.35Å; W856-L862 HydrophobicContact CZ2-CD2 4Å; G858-L862 WeakPolarHBondContact O-CA 3.35Å; G858-L862 PolarHBondContact O-N 3.25Å; Y859-L862 HydrophobicContact CD2-CD1 4.35Å; P860-L862 PolarHBondContact O-N 2.9Å
863	K	87.3	Confident	86.6	Confident	88 Å²	88	70.2 Å²	70.2	38%	0.383	35%	0.353	S	S	.	.	S	Bend	trans	-144.5	159.5	-174.8	68.5	-160.7	164.9	-136.7	0	114	D834 L857 D861 K865	D834-K863 HydrophobicContact CB-CB 4.25Å; D834-K863 WeakPolarHBondContact OD2-CA 3.31Å; D834-K863 WeakPolarHBondContact OD2-CB 3.43Å; L857-K863 HydrophobicContact CD1-CG 4.13Å; L857-K863 PolarHBondContact N-O 3.05Å; L857-K863 VanDerWaalsContact N-O 3.14Å; D861-K863 HydrophobicContact CB-CG 4.41Å; D861-K863 WeakPolarHBondContact O-CB 3.48Å; D861-K863 WeakPolarHBondContact O-CD 3.02Å; D861-K863 VanDerWaalsContact O-CG 3.28Å; D861-K863 WeakPolarHBondContact O-CG 3.39Å; D861-K863 PolarHBondContact O-N 3.1Å; D861-K863 VanDerWaalsContact OD1-CE 3.26Å; D861-K863 WeakPolarHBondContact OD1-CE 3.43Å; D861-K863 IonicContact OD1-NZ 2.84Å; D861-K863 PolarHBondContact OD1-NZ 3.04Å; K863-K865 PolarHBondContact O-N 3.12Å
864	C	88.7	Confident	86.6	Confident	4 Å²	4	73.8 Å²	73.8	3%	0.027	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.5	172.1	-66.8	0	0	0	0	110.7	D834 R836 C850 F854 I855	D834-C864 PolarHBondContact OD2-N 3.38Å; R836-C864 VanDerWaalsContact CZ-O 3.31Å; R836-C864 PolarHBondContact NH1-O 3.16Å; R836-C864 PolarHBondContact NH2-O 2.99Å; C850-C864 HydrophobicContact CB-CB 3.9Å; C850-C864 WeakPolarHBondContact CB-SG 3.41Å; C850-C864 WeakPolarHBondContact SG-CA 3.3Å; C850-C864 WeakPolarHBondContact SG-CB 3.37Å; C850-C864 CovalentContact SG-SG 2.04Å; C850-C864 PolarHBondContact SG-SG 2.76Å; F854-C864 HydrophobicContact CB-CB 4.06Å; F854-C864 HydrophobicContact CD1-CB 4.35Å; F854-C864 HydrophobicContact CG-CB 4.41Å; I855-C864 CarbonylContact O-C 3.58Å; I855-C864 WeakPolarHBondContact O-CA 3.28Å
865	K	90.3	Very high	86.5	Confident	119 Å²	119	76.4 Å²	76.4	52%	0.517	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	142.3	171.5	-175.1	-175	172.6	-173	0	109.9	F854 I855 L857 K863	F854-K865 CarbonylContact C-O 3.57Å; F854-K865 VanDerWaalsContact CA-O 3.25Å; F854-K865 WeakPolarHBondContact CA-O 3.35Å; I855-K865 HydrophobicContact CG1-CB 4.29Å; I855-K865 PolarHBondContact N-O 3.14Å; I855-K865 PolarHBondContact O-N 2.86Å; L857-K865 HydrophobicContact CD1-CB 3.84Å; L857-K865 HydrophobicContact CD1-CD 4.23Å; L857-K865 HydrophobicContact CD1-CG 4.5Å; L857-K865 HydrophobicContact CD2-CB 3.96Å; L857-K865 HydrophobicContact CD2-CD 3.86Å; L857-K865 HydrophobicContact CG-CB 3.8Å; L857-K865 HydrophobicContact CG-CD 4.45Å; K863-K865 PolarHBondContact O-N 3.12Å
866	D	90.5	Very high	86.5	Confident	39 Å²	39	74.4 Å²	74.4	21%	0.209	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	133.4	172.1	-170.6	58.6	0	0	0	111.6	F854 N885 I887 G888	F854-D866 HydrophobicContact CE1-CB 4.38Å; D866-N885 PolarHBondContact OD2-ND2 3.05Å; D866-I887 VanDerWaalsContact OD1-CA 3.28Å; D866-I887 WeakPolarHBondContact OD1-CA 3.39Å; D866-G888 PolarHBondContact OD1-N 3.04Å
867	V	90.8	Very high	86.4	Confident	17 Å²	17	71.6 Å²	71.6	10%	0.103	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-87.5	118.5	172.9	-178.7	0	0	0	0	108.3	G853 I855 E869 E872 N885	G853-V867 PolarHBondContact O-N 2.94Å; I855-V867 HydrophobicContact CB-CG2 4.19Å; I855-V867 HydrophobicContact CG1-CG2 3.95Å; I855-V867 HydrophobicContact CG2-CG2 3.63Å; V867-E869 HydrophobicContact CG1-CG 4.1Å; V867-E869 PolarHBondContact O-N 2.91Å; V867-E869 VanDerWaalsContact O-N 3.1Å; V867-E872 HydrophobicContact CG1-CG 4.46Å; V867-N885 PolarHBondContact O-OD1 2.65Å
868	N	91.1	Very high	86.5	Confident	63 Å²	63	70 Å²	70	34%	0.337	37%	0.367	S	S	.	.			trans	-83.3	84.9	175.1	-173.9	-28.6	0	0	0	109.5	C870 T871 E872 N885	N868-C870 PolarHBondContact O-N 3.31Å; N868-C870 WeakPolarHBondContact OD1-CB 3.2Å; N868-C870 PolarHBondContact OD1-N 3Å; N868-T871 PolarHBondContact ND2-OG1 3.04Å; N868-T871 VanDerWaalsContact ND2-OG1 3.12Å; N868-T871 WeakPolarHBondContact O-CA 3.42Å; N868-T871 WeakPolarHBondContact O-CB 3.43Å; N868-T871 PolarHBondContact O-N 3.44Å; N868-T871 PolarHBondContact OD1-N 2.62Å; N868-T871 PolarHBondContact OD1-OG1 2.76Å; N868-E872 PolarHBondContact O-N 3.48Å; N868-E872 VanDerWaalsContact O-N 3.14Å; N868-N885 WeakPolarHBondContact CA-OD1 3.5Å
869	E	91.6	Very high	86.7	Confident	29 Å²	29	75.2 Å²	75.2	14%	0.136	39%	0.39	C	S	.	.	H	α-helix	trans	-64.9	-24.3	-173.9	-51.5	110.5	133.7	0	0	112.2	V867 T871 K873 I876 G889 Y890 K905	V867-E869 HydrophobicContact CG1-CG 4.1Å; V867-E869 PolarHBondContact O-N 2.91Å; V867-E869 VanDerWaalsContact O-N 3.1Å; E869-T871 PolarHBondContact O-N 2.77Å; E869-K873 CarbonylContact O-C 3.59Å; E869-K873 PolarHBondContact O-N 3.01Å; E869-I876 HydrophobicContact CB-CD1 3.87Å; E869-G889 VanDerWaalsContact OE1-CA 3.23Å; E869-G889 WeakPolarHBondContact OE1-CA 3.38Å; E869-G889 WeakPolarHBondContact OE2-CA 3.4Å; E869-Y890 HydrophobicContact CB-CD1 4Å; E869-Y890 HydrophobicContact CG-CD1 4.17Å; E869-Y890 WeakPolarHBondContact OE2-CB 3.2Å; E869-Y890 WeakPolarHBondContact OE2-CD1 3.18Å; E869-Y890 PolarHBondContact OE2-N 2.84Å; E869-K905 IonicContact OE1-NZ 3.54Å
870	C	91.6	Very high	87.2	Confident	24 Å²	24	71.9 Å²	71.9	16%	0.162	38%	0.382	C	S	.	.	H	α-helix	trans	-65.6	-20.6	171.4	-53	0	0	0	0	113.4	N868 C883 V884 N885	N868-C870 PolarHBondContact O-N 3.31Å; N868-C870 WeakPolarHBondContact OD1-CB 3.2Å; N868-C870 PolarHBondContact OD1-N 3Å; C870-C883 WeakPolarHBondContact CA-SG 3.48Å; C870-C883 HydrophobicContact CB-CB 3.66Å; C870-C883 WeakPolarHBondContact CB-SG 3.34Å; C870-C883 WeakPolarHBondContact SG-CB 3.5Å; C870-C883 CovalentContact SG-SG 2.03Å; C870-C883 PolarHBondContact SG-SG 3.47Å; C870-V884 VanDerWaalsContact SG-C 3.6Å; C870-V884 PolarHBondContact SG-N 3.2Å; C870-N885 PolarHBondContact SG-N 2.76Å; C870-N885 VanDerWaalsContact SG-N 3.42Å
871	T	90.4	Very high	87.8	Confident	101 Å²	101	68.9 Å²	68.9	62%	0.62	36%	0.359	S	S	*	.	H	α-helix	trans	-94	-40.8	176.5	-54.4	0	0	0	0	111.4	N868 E869 K873	N868-T871 PolarHBondContact ND2-OG1 3.04Å; N868-T871 VanDerWaalsContact ND2-OG1 3.12Å; N868-T871 WeakPolarHBondContact O-CA 3.42Å; N868-T871 WeakPolarHBondContact O-CB 3.43Å; N868-T871 PolarHBondContact O-N 3.44Å; N868-T871 PolarHBondContact OD1-N 2.62Å; N868-T871 PolarHBondContact OD1-OG1 2.76Å; E869-T871 PolarHBondContact O-N 2.77Å; T871-K873 VanDerWaalsContact C-N 3.32Å
872	E	87.7	Confident	88.3	Confident	140 Å²	140	70.4 Å²	70.4	65%	0.654	36%	0.364	S	S	*	.	H	α-helix	trans	-69.1	-30.9	175.5	-65.2	-168.7	173	0	0	112.4	V867 N868	V867-E872 HydrophobicContact CG1-CG 4.46Å; N868-E872 PolarHBondContact O-N 3.48Å; N868-E872 VanDerWaalsContact O-N 3.14Å
873	K	88.2	Confident	88.7	Confident	120 Å²	120	68.6 Å²	68.6	52%	0.522	36%	0.356	S	S	.	.			trans	-144.1	88.8	178.2	-171.7	-177.5	174.8	-172.1	0	111.1	E869 T871 D875 I876	E869-K873 CarbonylContact O-C 3.59Å; E869-K873 PolarHBondContact O-N 3.01Å; T871-K873 VanDerWaalsContact C-N 3.32Å; K873-D875 VanDerWaalsContact C-N 3.3Å; K873-D875 PolarHBondContact O-N 3.3Å; K873-I876 HydrophobicContact CB-CB 4.13Å; K873-I876 HydrophobicContact CD-CB 3.94Å; K873-I876 HydrophobicContact CD-CD1 4.44Å; K873-I876 HydrophobicContact CD-CG1 4.11Å; K873-I876 HydrophobicContact CG-CB 4Å; K873-I876 WeakPolarHBondContact O-CB 3.45Å; K873-I876 VanDerWaalsContact O-CG2 3.27Å; K873-I876 WeakPolarHBondContact O-CG2 3.14Å; K873-I876 PolarHBondContact O-N 2.74Å
874	P	85.7	Confident	88.9	Confident	91 Å²	91	66 Å²	66	59%	0.591	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-52.7	-44.2	179.4	-29.4	36.5	0	0	0	113.8	I876	P874-I876 PolarHBondContact O-N 3.28Å; P874-I876 VanDerWaalsContact O-N 3.14Å
875	D	87.4	Confident	89	Confident	91 Å²	91	68.1 Å²	68.1	49%	0.487	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-80.2	18	-179.8	-62.5	-29.6	0	0	0	113.8	K873 C877 G878 N879	K873-D875 VanDerWaalsContact C-N 3.3Å; K873-D875 PolarHBondContact O-N 3.3Å; D875-C877 PolarHBondContact O-N 3.17Å; D875-G878 PolarHBondContact O-N 2.92Å; D875-N879 VanDerWaalsContact CG-ND2 3.33Å; D875-N879 PolarHBondContact OD1-ND2 2.78Å; D875-N879 VanDerWaalsContact OD1-ND2 3.14Å; D875-N879 PolarHBondContact OD2-ND2 2.94Å
876	I	88.2	Confident	88.9	Confident	37 Å²	37	66.4 Å²	66.4	19%	0.19	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-61.8	-30.8	-177.1	-167	165.2	0	0	0	113.5	E869 K873 P874 C883 Y890	E869-I876 HydrophobicContact CB-CD1 3.87Å; K873-I876 HydrophobicContact CB-CB 4.13Å; K873-I876 HydrophobicContact CD-CB 3.94Å; K873-I876 HydrophobicContact CD-CD1 4.44Å; K873-I876 HydrophobicContact CD-CG1 4.11Å; K873-I876 HydrophobicContact CG-CB 4Å; K873-I876 WeakPolarHBondContact O-CB 3.45Å; K873-I876 VanDerWaalsContact O-CG2 3.27Å; K873-I876 WeakPolarHBondContact O-CG2 3.14Å; K873-I876 PolarHBondContact O-N 2.74Å; P874-I876 PolarHBondContact O-N 3.28Å; P874-I876 VanDerWaalsContact O-N 3.14Å; I876-C883 HydrophobicContact CG2-CB 4.13Å; I876-C883 WeakPolarHBondContact CG2-SG 3.29Å; I876-Y890 HydrophobicContact CD1-CD1 3.95Å; I876-Y890 HydrophobicContact CD1-CE1 3.44Å; I876-Y890 VanDerWaalsContact CD1-CE1 3.44Å; I876-Y890 HydrophobicContact CD1-CE2 4.14Å; I876-Y890 HydrophobicContact CD1-CG 4.5Å; I876-Y890 HydrophobicContact CG1-CE1 4.12Å; I876-Y890 HydrophobicContact CG1-CE2 3.96Å; I876-Y890 HydrophobicContact CG2-CD2 4.13Å; I876-Y890 HydrophobicContact CG2-CE2 4.15Å
877	C	87.6	Confident	88.7	Confident	12 Å²	12	71.7 Å²	71.7	8%	0.081	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-89.8	-4.7	173.5	-69	0	0	0	0	113.9	D875 H881 C892	D875-C877 PolarHBondContact O-N 3.17Å; C877-H881 HydrophobicContact CB-CB 3.92Å; C877-H881 PolarHBondContact O-CD2 3.01Å; C877-C892 VanDerWaalsContact CA-SG 3.54Å; C877-C892 HydrophobicContact CB-CB 3.8Å; C877-C892 WeakPolarHBondContact CB-SG 3.42Å; C877-C892 WeakPolarHBondContact SG-CA 3.46Å; C877-C892 WeakPolarHBondContact SG-CB 3.35Å; C877-C892 CovalentContact SG-SG 2.04Å; C877-C892 PolarHBondContact SG-SG 3.47Å
878	G	84.6	Confident	88.4	Confident	26 Å²	26	72.2 Å²	72.2	27%	0.268	39%	0.39	S	S	.	.			trans	85.6	146.6	-166.4	0	0	0	0	0	112.7	D875 E880 H881	D875-G878 PolarHBondContact O-N 2.92Å; G878-E880 PolarHBondContact O-N 2.68Å; G878-H881 PolarHBondContact O-N 3.04Å
879	N	83.5	Confident	88.3	Confident	133 Å²	133	69.5 Å²	69.5	71%	0.711	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.7	-163.9	-54.2	61.6	0	0	0	115.5	D875	D875-N879 VanDerWaalsContact CG-ND2 3.33Å; D875-N879 PolarHBondContact OD1-ND2 2.78Å; D875-N879 VanDerWaalsContact OD1-ND2 3.14Å; D875-N879 PolarHBondContact OD2-ND2 2.94Å
880	E	84.3	Confident	88.3	Confident	134 Å²	134	69.9 Å²	69.9	63%	0.626	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.1	177.3	-62	-176.9	170.8	0	0	113.1	G878 Y898	G878-E880 PolarHBondContact O-N 2.68Å; E880-Y898 PolarHBondContact OE2-OH 2.86Å
881	H	89.8	Confident	88.3	Confident	32 Å²	32	73.1 Å²	73.1	15%	0.148	39%	0.385	C	S	.	.	S	Bend	trans	-115.3	146.6	-169.1	-45.8	-84.3	0	0	0	111.5	C877 G878 Y898 C907	C877-H881 HydrophobicContact CB-CB 3.92Å; C877-H881 PolarHBondContact O-CD2 3.01Å; G878-H881 PolarHBondContact O-N 3.04Å; H881-Y898 AromaticContact CE1-CD1 3.76Å; H881-Y898 AromaticContact CE1-CD2 3.57Å; H881-Y898 AromaticContact CE1-CE1 3.94Å; H881-Y898 AromaticContact CE1-CE2 3.72Å; H881-Y898 AromaticContact CE1-CG 3.56Å; H881-Y898 AromaticContact CE1-CZ 3.89Å; H881-C907 WeakPolarHBondContact ND1-CB 3.01Å; H881-C907 PolarHBondContact ND1-SG 3.15Å; H881-C907 VanDerWaalsContact ND1-SG 3.42Å
882	Q	90.4	Very high	88.4	Confident	114 Å²	114	68.3 Å²	68.3	53%	0.533	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.2	-178.3	-179.3	175	8.2	0	0	110.9	V884 Q893	Q882-V884 HydrophobicContact CG-CG2 4.39Å; Q882-Q893 HydrophobicContact CB-CB 4.21Å; Q882-Q893 PolarHBondContact N-O 2.04Å; Q882-Q893 PolarHBondContact O-N 3.34Å
883	C	92.6	Very high	88.5	Confident	26 Å²	26	66.7 Å²	66.7	18%	0.176	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.2	169	-170.3	0	0	0	0	110.7	C870 I876	C870-C883 WeakPolarHBondContact CA-SG 3.48Å; C870-C883 HydrophobicContact CB-CB 3.66Å; C870-C883 WeakPolarHBondContact CB-SG 3.34Å; C870-C883 WeakPolarHBondContact SG-CB 3.5Å; C870-C883 CovalentContact SG-SG 2.03Å; C870-C883 PolarHBondContact SG-SG 3.47Å; I876-C883 HydrophobicContact CG2-CB 4.13Å; I876-C883 WeakPolarHBondContact CG2-SG 3.29Å
884	V	91.1	Very high	88.6	Confident	33 Å²	33	62.3 Å²	62.3	20%	0.2	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.2	174.9	-178.4	0	0	0	0	109.1	C870 Q882 Y890 R891 Q893	C870-V884 VanDerWaalsContact SG-C 3.6Å; C870-V884 PolarHBondContact SG-N 3.2Å; Q882-V884 HydrophobicContact CG-CG2 4.39Å; V884-Y890 WeakPolarHBondContact O-CA 3.48Å; V884-R891 HydrophobicContact CB-CG 4.17Å; V884-R891 PolarHBondContact N-O 2.93Å; V884-R891 PolarHBondContact O-N 2.93Å; V884-Q893 HydrophobicContact CG2-CB 4.28Å
885	N	90.7	Very high	88.8	Confident	49 Å²	49	59.7 Å²	59.7	26%	0.262	32%	0.319	S	S	.	.			trans	-69.4	144.2	178.8	-165.7	55.4	0	0	0	111.7	D866 V867 N868 C870	D866-N885 PolarHBondContact OD2-ND2 3.05Å; V867-N885 PolarHBondContact O-OD1 2.65Å; N868-N885 WeakPolarHBondContact CA-OD1 3.5Å; C870-N885 PolarHBondContact SG-N 2.76Å; C870-N885 VanDerWaalsContact SG-N 3.42Å
886	M	88.4	Confident	88.8	Confident	83 Å²	83	60.9 Å²	60.9	41%	0.409	33%	0.334	S	S	.	.			trans	-138.9	163	170.9	-44.4	173.8	47.3	0	0	109.6	G888 G889 R891	M886-G888 PolarHBondContact O-N 2.98Å; M886-G889 CarbonylContact C-O 3.56Å; M886-G889 WeakPolarHBondContact CA-O 3.31Å; M886-G889 WeakPolarHBondContact CB-O 3.44Å; M886-G889 PolarHBondContact N-O 3.28Å; M886-G889 CarbonylContact O-C 3.54Å; M886-G889 PolarHBondContact O-N 2.81Å; M886-R891 HydrophobicContact CG-CG 4.41Å; M886-R891 HydrophobicContact SD-CB 4.03Å; M886-R891 HydrophobicContact SD-CG 3.73Å; M886-R891 PolarHBondContact SD-NH1 2.82Å
887	I	87.4	Confident	88.6	Confident	150 Å²	150	60 Å²	60	77%	0.769	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	114.7	-179.8	-62	174.1	0	0	0	109.7	F854 D866	F854-I887 HydrophobicContact CE1-CG2 4.01Å; F854-I887 HydrophobicContact CZ-CG2 3.83Å; D866-I887 VanDerWaalsContact OD1-CA 3.28Å; D866-I887 WeakPolarHBondContact OD1-CA 3.39Å
888	G	84.2	Confident	88.8	Confident	29 Å²	29	61.2 Å²	61.2	30%	0.299	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	13.8	-171.2	0	0	0	0	0	114.4	F854 D866 M886	F854-G888 VanDerWaalsContact CE2-CA 3.5Å; D866-G888 PolarHBondContact OD1-N 3.04Å; M886-G888 PolarHBondContact O-N 2.98Å
889	G	88.2	Confident	88.9	Confident	6 Å²	6	65 Å²	65	6%	0.062	35%	0.347	C	S	.	.	S	Bend	trans	127	168.4	163.2	0	0	0	0	0	115.7	E869 M886	E869-G889 VanDerWaalsContact OE1-CA 3.23Å; E869-G889 WeakPolarHBondContact OE1-CA 3.38Å; E869-G889 WeakPolarHBondContact OE2-CA 3.4Å; M886-G889 CarbonylContact C-O 3.56Å; M886-G889 WeakPolarHBondContact CA-O 3.31Å; M886-G889 WeakPolarHBondContact CB-O 3.44Å; M886-G889 PolarHBondContact N-O 3.28Å; M886-G889 CarbonylContact O-C 3.54Å; M886-G889 PolarHBondContact O-N 2.81Å
890	Y	91.5	Very high	89	Confident	37 Å²	37	62 Å²	62	15%	0.145	33%	0.331	C	S	.	.			trans	-71.7	163.5	-173	75.6	-72	0	0	0	116	E869 I876 V884 K905	E869-Y890 HydrophobicContact CB-CD1 4Å; E869-Y890 HydrophobicContact CG-CD1 4.17Å; E869-Y890 WeakPolarHBondContact OE2-CB 3.2Å; E869-Y890 WeakPolarHBondContact OE2-CD1 3.18Å; E869-Y890 PolarHBondContact OE2-N 2.84Å; I876-Y890 HydrophobicContact CD1-CD1 3.95Å; I876-Y890 HydrophobicContact CD1-CE1 3.44Å; I876-Y890 VanDerWaalsContact CD1-CE1 3.44Å; I876-Y890 HydrophobicContact CD1-CE2 4.14Å; I876-Y890 HydrophobicContact CD1-CG 4.5Å; I876-Y890 HydrophobicContact CG1-CE1 4.12Å; I876-Y890 HydrophobicContact CG1-CE2 3.96Å; I876-Y890 HydrophobicContact CG2-CD2 4.13Å; I876-Y890 HydrophobicContact CG2-CE2 4.15Å; V884-Y890 WeakPolarHBondContact O-CA 3.48Å; Y890-K905 HydrophobicContact CD1-CD 4.22Å; Y890-K905 HydrophobicContact CE1-CB 4.41Å; Y890-K905 HydrophobicContact CE1-CD 3.76Å; Y890-K905 HydrophobicContact CE1-CG 4.14Å; Y890-K905 HydrophobicContact CE2-CB 3.98Å; Y890-K905 HydrophobicContact CE2-CG 4.19Å; Y890-K905 WeakPolarHBondContact CE2-O 3.33Å; Y890-K905 VanDerWaalsContact O-CE 3.23Å; Y890-K905 WeakPolarHBondContact O-CE 3.01Å; Y890-K905 WeakPolarHBondContact O-CG 3.25Å; Y890-K905 PolarHBondContact OH-O 2.84Å
891	R	91.5	Very high	88.9	Confident	91 Å²	91	56.2 Å²	56.2	34%	0.343	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	158.1	156.4	69.1	173.3	-173.9	-97	-2.4	110.7	V884 M886	V884-R891 HydrophobicContact CB-CG 4.17Å; V884-R891 PolarHBondContact N-O 2.93Å; V884-R891 PolarHBondContact O-N 2.93Å; M886-R891 HydrophobicContact CG-CG 4.41Å; M886-R891 HydrophobicContact SD-CB 4.03Å; M886-R891 HydrophobicContact SD-CG 3.73Å; M886-R891 PolarHBondContact SD-NH1 2.82Å
892	C	92.8	Very high	88.5	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.007	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.6	174.3	-61.1	0	0	0	0	111.6	C877 N900 E904 K905	C877-C892 VanDerWaalsContact CA-SG 3.54Å; C877-C892 HydrophobicContact CB-CB 3.8Å; C877-C892 WeakPolarHBondContact CB-SG 3.42Å; C877-C892 WeakPolarHBondContact SG-CA 3.46Å; C877-C892 WeakPolarHBondContact SG-CB 3.35Å; C877-C892 CovalentContact SG-SG 2.04Å; C877-C892 PolarHBondContact SG-SG 3.47Å; C892-N900 PolarHBondContact O-ND2 2.03Å; C892-E904 PolarHBondContact N-O 2.83Å; C892-K905 PolarHBondContact SG-O 2.9Å
893	Q	90.4	Very high	88	Confident	105 Å²	105	65 Å²	65	49%	0.491	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.2	167.8	175	171.3	-22.3	0	0	108.5	Q882 V884	Q882-Q893 HydrophobicContact CB-CB 4.21Å; Q882-Q893 PolarHBondContact N-O 2.04Å; Q882-Q893 PolarHBondContact O-N 3.34Å; V884-Q893 HydrophobicContact CG2-CB 4.28Å
894	C	91	Very high	87.5	Confident	28 Å²	28	69 Å²	69	19%	0.189	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-80.2	143.3	-169.4	-54.3	0	0	0	0	113.4	N900 C907	C894-N900 PolarHBondContact SG-OD1 3.27Å; C894-C907 WeakPolarHBondContact CA-SG 3.39Å; C894-C907 HydrophobicContact CB-CB 3.86Å; C894-C907 WeakPolarHBondContact CB-SG 3.44Å; C894-C907 WeakPolarHBondContact SG-CA 3.44Å; C894-C907 WeakPolarHBondContact SG-CB 3.49Å; C894-C907 CovalentContact SG-SG 2.04Å; C894-C907 PolarHBondContact SG-SG 3.45Å
895	A	88.6	Confident	87.1	Confident	36 Å²	36	71.3 Å²	71.3	30%	0.298	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-62.2	160.8	166.5	0	0	0	0	0	112.4	Y898	A895-Y898 HydrophobicContact CB-CD2 4.22Å; A895-Y898 PolarHBondContact O-N 2.79Å; A895-Y898 VanDerWaalsContact O-N 3.11Å
896	S	87.3	Confident	86.9	Confident	116 Å²	116	71.5 Å²	71.5	81%	0.811	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	138.5	170.3	-58	0	0	0	0	111.6	Y898	S896-Y898 VanDerWaalsContact C-N 3.32Å
897	G	85.5	Confident	86.9	Confident	18 Å²	18	68.7 Å²	68.7	19%	0.186	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-14	-173.8	0	0	0	0	0	114.1	I910	G897-I910 VanDerWaalsContact O-CB 3.28Å; G897-I910 WeakPolarHBondContact O-CB 3.44Å; G897-I910 VanDerWaalsContact O-CG1 3.3Å; G897-I910 WeakPolarHBondContact O-CG1 3.37Å; G897-I910 PolarHBondContact O-N 3.33Å
898	Y	89.9	Confident	87	Confident	38 Å²	38	64.3 Å²	64.3	15%	0.149	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.8	179.2	-56.8	-95.6	0	0	0	112	E880 H881 A895 S896 V908 D909	E880-Y898 PolarHBondContact OE2-OH 2.86Å; H881-Y898 AromaticContact CE1-CD1 3.76Å; H881-Y898 AromaticContact CE1-CD2 3.57Å; H881-Y898 AromaticContact CE1-CE1 3.94Å; H881-Y898 AromaticContact CE1-CE2 3.72Å; H881-Y898 AromaticContact CE1-CG 3.56Å; H881-Y898 AromaticContact CE1-CZ 3.89Å; A895-Y898 HydrophobicContact CB-CD2 4.22Å; A895-Y898 PolarHBondContact O-N 2.79Å; A895-Y898 VanDerWaalsContact O-N 3.11Å; S896-Y898 VanDerWaalsContact C-N 3.32Å; Y898-V908 WeakPolarHBondContact CA-O 3.19Å; Y898-D909 HydrophobicContact CD1-CB 4.34Å; Y898-D909 HydrophobicContact CE1-CB 4.49Å
899	K	87.3	Confident	87.2	Confident	107 Å²	107	65.1 Å²	65.1	47%	0.465	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161.1	175.8	61.1	-178.8	173.1	-175.3	0	110.2	G901 V908 I910	K899-G901 PolarHBondContact O-N 2.81Å; K899-V908 HydrophobicContact CD-CG2 4.25Å; K899-V908 HydrophobicContact CG-CG2 3.67Å; K899-V908 WeakPolarHBondContact CG-O 3.05Å; K899-V908 PolarHBondContact N-O 3.2Å; K899-V908 PolarHBondContact O-N 2.95Å; K899-I910 HydrophobicContact CB-CD1 4.09Å; K899-I910 HydrophobicContact CB-CG1 3.84Å; K899-I910 HydrophobicContact CD-CG1 4.08Å; K899-I910 HydrophobicContact CG-CG1 3.83Å
900	N	86.3	Confident	87.1	Confident	70 Å²	70	67.3 Å²	67.3	37%	0.374	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.6	172	-68.1	33.5	0	0	0	110.3	C892 C894 E904	C892-N900 PolarHBondContact O-ND2 2.03Å; C894-N900 PolarHBondContact SG-OD1 3.27Å; N900-E904 HydrophobicContact CB-CG 4.38Å
901	G	81.9	Confident	86.9	Confident	12 Å²	12	68 Å²	68	12%	0.124	36%	0.363	C	S	.	.			trans	-70.9	173.1	165.4	0	0	0	0	0	111.8	K899 N903 E904 S906	K899-G901 PolarHBondContact O-N 2.81Å; G901-N903 PolarHBondContact O-N 3.3Å; G901-E904 PolarHBondContact O-N 3.42Å; G901-S906 PolarHBondContact N-O 3.34Å
902	E	81.4	Confident	86.5	Confident	202 Å²	202	65.4 Å²	65.4	94%	0.944	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-26.6	-174.1	-169.2	167.2	-165.2	0	0	114.4
903	N	79.7	Confident	86.1	Confident	129 Å²	129	66.9 Å²	66.9	69%	0.69	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	5.3	-178.1	-60.4	-1.4	0	0	0	114.1	G901 K905	G901-N903 PolarHBondContact O-N 3.3Å; N903-K905 PolarHBondContact O-N 3.39Å
904	E	81.4	Confident	85.4	Confident	109 Å²	109	66.9 Å²	66.9	51%	0.509	37%	0.367	S	S	.	.	S	Bend	trans	55.9	-10.1	-170.9	-61.2	-169.9	-166.1	0	0	117.4	C892 N900 G901 S906	C892-E904 PolarHBondContact N-O 2.83Å; N900-E904 HydrophobicContact CB-CG 4.38Å; G901-E904 PolarHBondContact O-N 3.42Å; E904-S906 VanDerWaalsContact C-N 3.28Å; E904-S906 PolarHBondContact O-N 2.83Å
905	K	83.9	Confident	84.4	Confident	81 Å²	81	68.5 Å²	68.5	35%	0.352	38%	0.376	S	S	.	.	S	Bend	trans	-83.4	9.8	177.5	-72.3	-168.4	176.4	-160.6	0	114.7	E869 Y890 C892 N903	E869-K905 IonicContact OE1-NZ 3.54Å; Y890-K905 HydrophobicContact CD1-CD 4.22Å; Y890-K905 HydrophobicContact CE1-CB 4.41Å; Y890-K905 HydrophobicContact CE1-CD 3.76Å; Y890-K905 HydrophobicContact CE1-CG 4.14Å; Y890-K905 HydrophobicContact CE2-CB 3.98Å; Y890-K905 HydrophobicContact CE2-CG 4.19Å; Y890-K905 WeakPolarHBondContact CE2-O 3.33Å; Y890-K905 VanDerWaalsContact O-CE 3.23Å; Y890-K905 WeakPolarHBondContact O-CE 3.01Å; Y890-K905 WeakPolarHBondContact O-CG 3.25Å; Y890-K905 PolarHBondContact OH-O 2.84Å; C892-K905 PolarHBondContact SG-O 2.9Å; N903-K905 PolarHBondContact O-N 3.39Å
906	S	85.7	Confident	83	Confident	54 Å²	54	75 Å²	75	38%	0.378	40%	0.398	S	S	.	.	S	Bend	trans	-149.4	149.3	176.4	61	0	0	0	0	111.6	G901 E904	G901-S906 PolarHBondContact N-O 3.34Å; E904-S906 VanDerWaalsContact C-N 3.28Å; E904-S906 PolarHBondContact O-N 2.83Å
907	C	89.3	Confident	81.6	Confident	24 Å²	24	72.3 Å²	72.3	16%	0.162	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.4	168.2	-66.9	0	0	0	0	109.2	H881 C894	H881-C907 WeakPolarHBondContact ND1-CB 3.01Å; H881-C907 PolarHBondContact ND1-SG 3.15Å; H881-C907 VanDerWaalsContact ND1-SG 3.42Å; C894-C907 WeakPolarHBondContact CA-SG 3.39Å; C894-C907 HydrophobicContact CB-CB 3.86Å; C894-C907 WeakPolarHBondContact CB-SG 3.44Å; C894-C907 WeakPolarHBondContact SG-CA 3.44Å; C894-C907 WeakPolarHBondContact SG-CB 3.49Å; C894-C907 CovalentContact SG-SG 2.04Å; C894-C907 PolarHBondContact SG-SG 3.45Å
908	V	89	Confident	79.9	Confident	57 Å²	57	82 Å²	82	35%	0.345	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.7	175.6	-58.8	0	0	0	0	109.5	Y898 K899	Y898-V908 WeakPolarHBondContact CA-O 3.19Å; K899-V908 HydrophobicContact CD-CG2 4.25Å; K899-V908 HydrophobicContact CG-CG2 3.67Å; K899-V908 WeakPolarHBondContact CG-O 3.05Å; K899-V908 PolarHBondContact N-O 3.2Å; K899-V908 PolarHBondContact O-N 2.95Å
909	D	89	Confident	78	Confident	46 Å²	46	87 Å²	87	25%	0.246	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	141.4	-178.9	-169.6	40.2	0	0	0	112.2	Y898 D911 N935 G938	Y898-D909 HydrophobicContact CD1-CB 4.34Å; Y898-D909 HydrophobicContact CE1-CB 4.49Å; D909-D911 PolarHBondContact O-N 2.96Å; D909-N935 PolarHBondContact OD2-ND2 3.34Å; D909-G938 PolarHBondContact OD1-N 3.24Å
910	I	86.2	Confident	76.4	Confident	52 Å²	52	89.1 Å²	89.1	27%	0.267	46%	0.455	S	S	.	.			trans	-91.6	95.5	174.4	-57.2	172.5	0	0	0	107.9	G897 K899 E912 V915	G897-I910 VanDerWaalsContact O-CB 3.28Å; G897-I910 WeakPolarHBondContact O-CB 3.44Å; G897-I910 VanDerWaalsContact O-CG1 3.3Å; G897-I910 WeakPolarHBondContact O-CG1 3.37Å; G897-I910 PolarHBondContact O-N 3.33Å; K899-I910 HydrophobicContact CB-CD1 4.09Å; K899-I910 HydrophobicContact CB-CG1 3.84Å; K899-I910 HydrophobicContact CD-CG1 4.08Å; K899-I910 HydrophobicContact CG-CG1 3.83Å; I910-E912 VanDerWaalsContact C-N 3.31Å; I910-E912 HydrophobicContact CG2-CG 4.18Å; I910-E912 VanDerWaalsContact O-CG 3.31Å; I910-E912 WeakPolarHBondContact O-CG 3.38Å; I910-E912 PolarHBondContact O-N 3.13Å; I910-V915 HydrophobicContact CG2-CG2 4.12Å
911	D	85.8	Confident	74.8	Confident	53 Å²	53	89.9 Å²	89.9	28%	0.283	46%	0.46	S	S	.	.			trans	-62.5	86.2	173.8	-177.8	-17.4	0	0	0	111.8	D909 C913 N914 V915 N935	D909-D911 PolarHBondContact O-N 2.96Å; D911-C913 PolarHBondContact O-N 3.19Å; D911-C913 WeakPolarHBondContact OD1-CA 3.35Å; D911-C913 VanDerWaalsContact OD1-CB 3.29Å; D911-C913 WeakPolarHBondContact OD1-CB 3.02Å; D911-C913 PolarHBondContact OD1-N 3.5Å; D911-N914 HydrophobicContact CB-CB 4.5Å; D911-N914 CarbonylContact O-C 3.56Å; D911-N914 PolarHBondContact O-N 2.82Å; D911-N914 PolarHBondContact OD1-N 3.17Å; D911-N914 PolarHBondContact OD1-ND2 2.03Å; D911-N914 PolarHBondContact OD2-ND2 2.95Å; D911-V915 WeakPolarHBondContact O-CG2 3.4Å; D911-V915 PolarHBondContact O-N 3Å; D911-N935 WeakPolarHBondContact CA-OD1 3.13Å
912	E	84.5	Confident	73.6	Confident	36 Å²	36	97.4 Å²	97.4	17%	0.168	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.1	-176.9	-50.5	109.6	138.4	0	0	112.1	I910 P927 Y940	I910-E912 VanDerWaalsContact C-N 3.31Å; I910-E912 HydrophobicContact CG2-CG 4.18Å; I910-E912 VanDerWaalsContact O-CG 3.31Å; I910-E912 WeakPolarHBondContact O-CG 3.38Å; I910-E912 PolarHBondContact O-N 3.13Å; E912-P927 HydrophobicContact CB-CG 4.11Å; E912-P927 WeakPolarHBondContact O-CD 3.04Å; E912-Y940 HydrophobicContact CB-CD1 3.91Å; E912-Y940 HydrophobicContact CB-CG 4.37Å; E912-Y940 VanDerWaalsContact CD-CD1 3.49Å; E912-Y940 HydrophobicContact CG-CD1 4.06Å; E912-Y940 WeakPolarHBondContact OE2-CB 3.11Å; E912-Y940 WeakPolarHBondContact OE2-CD1 3.26Å; E912-Y940 PolarHBondContact OE2-N 3.3Å
913	C	83.2	Confident	72.4	Confident	31 Å²	31	94.2 Å²	94.2	21%	0.209	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-25.4	170.7	-55.8	0	0	0	0	112.7	D911 C933 I934	D911-C913 PolarHBondContact O-N 3.19Å; D911-C913 WeakPolarHBondContact OD1-CA 3.35Å; D911-C913 VanDerWaalsContact OD1-CB 3.29Å; D911-C913 WeakPolarHBondContact OD1-CB 3.02Å; D911-C913 PolarHBondContact OD1-N 3.5Å; C913-C933 WeakPolarHBondContact CA-SG 3.19Å; C913-C933 HydrophobicContact CB-CB 3.61Å; C913-C933 WeakPolarHBondContact CB-SG 3.07Å; C913-C933 WeakPolarHBondContact SG-CB 3.4Å; C913-C933 CovalentContact SG-SG 2.03Å; C913-C933 PolarHBondContact SG-SG 3.32Å; C913-I934 VanDerWaalsContact SG-C 3.54Å; C913-I934 PolarHBondContact SG-N 3.01Å
914	N	77	Confident	71.3	Confident	105 Å²	105	92.5 Å²	92.5	56%	0.561	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	5	180	-71.6	-65.4	0	0	0	115	D911 K916	D911-N914 HydrophobicContact CB-CB 4.5Å; D911-N914 CarbonylContact O-C 3.56Å; D911-N914 PolarHBondContact O-N 2.82Å; D911-N914 PolarHBondContact OD1-N 3.17Å; D911-N914 PolarHBondContact OD1-ND2 2.03Å; D911-N914 PolarHBondContact OD2-ND2 2.95Å; N914-K916 PolarHBondContact O-N 3.46Å
915	V	68.8	Low	70.3	Confident	62 Å²	62	93.4 Å²	93.4	38%	0.376	48%	0.475	S	S	.	.			trans	-56.2	111.7	168.5	169.7	0	0	0	0	109.8	I910 D911 Y924	I910-V915 HydrophobicContact CG2-CG2 4.12Å; D911-V915 WeakPolarHBondContact O-CG2 3.4Å; D911-V915 PolarHBondContact O-N 3Å; V915-Y924 WeakPolarHBondContact CB-OH 3.5Å; V915-Y924 HydrophobicContact CG1-CE1 4.33Å; V915-Y924 HydrophobicContact CG1-CE2 4.17Å; V915-Y924 VanDerWaalsContact CG1-OH 3.31Å; V915-Y924 WeakPolarHBondContact CG1-OH 3.44Å; V915-Y924 WeakPolarHBondContact O-CE1 3.09Å
916	K	60.2	Low	69.4	Low	174 Å²	174	92.1 Å²	92.1	76%	0.757	48%	0.476	S	S	*	.			trans	-84.2	140.4	172.2	-64.6	174.6	-174.3	168.8	0	109.1	N914 Y918	N914-K916 PolarHBondContact O-N 3.46Å; K916-Y918 PolarHBondContact O-N 3.1Å
917	P	58.1	Low	68.9	Low	58 Å²	58	90.7 Å²	90.7	38%	0.377	47%	0.466	S	S	.	.			trans	-65	101.4	175.4	25.5	-33	0	0	0	110.5	N919 N920 Y924	P917-N919 PolarHBondContact O-N 3.35Å; P917-N920 PolarHBondContact O-N 3.46Å; P917-Y924 HydrophobicContact CB-CD1 4.12Å; P917-Y924 HydrophobicContact CB-CG 3.93Å; P917-Y924 HydrophobicContact CG-CD1 4.33Å
918	Y	49.1	Very low	68.3	Low	223 Å²	223	89.8 Å²	89.8	88%	0.875	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19	-169.7	-148.3	-95	0	0	0	114	K916	K916-Y918 PolarHBondContact O-N 3.1Å
919	N	49.9	Very low	67.3	Low	142 Å²	142	89.5 Å²	89.5	76%	0.759	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	25.3	-175.5	-67.9	-28.9	0	0	0	113.9	P917 D921	P917-N919 PolarHBondContact O-N 3.35Å; N919-D921 PolarHBondContact O-N 2.9Å; N919-D921 VanDerWaalsContact O-N 3.16Å
920	N	53.2	Low	66.4	Low	151 Å²	151	93 Å²	93	81%	0.807	47%	0.47	S	S	*	.			trans	54.7	27.4	-173.9	-64.9	-40.9	0	0	0	114.2	P917 I922	P917-N920 PolarHBondContact O-N 3.46Å; N920-I922 PolarHBondContact O-N 3.24Å
921	D	53.6	Low	65.7	Low	86 Å²	86	90.7 Å²	90.7	46%	0.46	46%	0.458	S	S	.	.			trans	-65.2	111.8	-175.5	-168.4	-16.4	0	0	0	111.1	N919 N923 Y924	N919-D921 PolarHBondContact O-N 2.9Å; N919-D921 VanDerWaalsContact O-N 3.16Å; D921-N923 PolarHBondContact O-N 3.38Å; D921-N923 VanDerWaalsContact O-N 3.12Å; D921-N923 WeakPolarHBondContact OD1-CB 3.46Å; D921-N923 PolarHBondContact OD1-N 2.97Å; D921-N923 PolarHBondContact OD1-ND2 2.89Å; D921-N923 VanDerWaalsContact OD1-ND2 3.1Å; D921-Y924 WeakPolarHBondContact O-CB 3.33Å; D921-Y924 PolarHBondContact O-N 2.05Å
922	I	57	Low	65.4	Low	170 Å²	170	89.4 Å²	89.4	87%	0.872	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.9	-179.1	-3.6	173	0	0	0	112.7	N920	N920-I922 PolarHBondContact O-N 3.24Å
923	N	56.4	Low	65.4	Low	136 Å²	136	89 Å²	89	73%	0.727	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-0.1	176.7	-54.9	-74.6	0	0	0	113.6	D921 M925	D921-N923 PolarHBondContact O-N 3.38Å; D921-N923 VanDerWaalsContact O-N 3.12Å; D921-N923 WeakPolarHBondContact OD1-CB 3.46Å; D921-N923 PolarHBondContact OD1-N 2.97Å; D921-N923 PolarHBondContact OD1-ND2 2.89Å; D921-N923 VanDerWaalsContact OD1-ND2 3.1Å; N923-M925 VanDerWaalsContact C-N 3.3Å; N923-M925 PolarHBondContact O-N 3.27Å
924	Y	55.2	Low	65.5	Low	92 Å²	92	89.6 Å²	89.6	36%	0.361	45%	0.452	S	S	.	.			trans	-71.9	85.6	179.1	-168.4	-96.9	0	0	0	111.8	V915 P917 D921	V915-Y924 WeakPolarHBondContact CB-OH 3.5Å; V915-Y924 HydrophobicContact CG1-CE1 4.33Å; V915-Y924 HydrophobicContact CG1-CE2 4.17Å; V915-Y924 VanDerWaalsContact CG1-OH 3.31Å; V915-Y924 WeakPolarHBondContact CG1-OH 3.44Å; V915-Y924 WeakPolarHBondContact O-CE1 3.09Å; P917-Y924 HydrophobicContact CB-CD1 4.12Å; P917-Y924 HydrophobicContact CB-CG 3.93Å; P917-Y924 HydrophobicContact CG-CD1 4.33Å; D921-Y924 WeakPolarHBondContact O-CB 3.33Å; D921-Y924 PolarHBondContact O-N 2.05Å
925	M	61.6	Low	65.8	Low	129 Å²	129	87.1 Å²	87.1	64%	0.635	44%	0.439	S	S	*	.			trans	-73.7	122.1	171.1	-167.3	74.1	65.9	0	0	109	N923 P929	N923-M925 VanDerWaalsContact C-N 3.3Å; N923-M925 PolarHBondContact O-N 3.27Å; M925-P929 HydrophobicContact CG-CB 3.85Å; M925-P929 HydrophobicContact CG-CG 3.97Å; M925-P929 HydrophobicContact SD-CB 3.65Å; M925-P929 HydrophobicContact SD-CG 4.21Å
926	S	65.5	Low	66.6	Low	53 Å²	53	87.7 Å²	87.7	37%	0.371	44%	0.438	S	S	.	.			trans	-53.7	142.7	170.6	174.7	0	0	0	0	110.4	C928 P929	S926-C928 PolarHBondContact O-N 3.49Å; S926-C928 VanDerWaalsContact O-N 3.1Å; S926-P929 WeakPolarHBondContact O-CD 3.07Å
927	P	73.9	Confident	67.9	Low	25 Å²	25	84.4 Å²	84.4	16%	0.162	43%	0.434	C	S	.	.	S	Bend	trans	-59.6	-26.1	-174.8	-24.2	32.9	0	0	0	114.9	E912 P929 Y940 N954	E912-P927 HydrophobicContact CB-CG 4.11Å; E912-P927 WeakPolarHBondContact O-CD 3.04Å; P927-P929 VanDerWaalsContact C-CD 3.47Å; P927-P929 WeakPolarHBondContact O-CD 3.38Å; P927-Y940 HydrophobicContact CB-CD1 4.41Å; P927-Y940 HydrophobicContact CB-CD2 3.7Å; P927-Y940 HydrophobicContact CB-CE1 4.1Å; P927-Y940 HydrophobicContact CB-CE2 3.32Å; P927-Y940 HydrophobicContact CB-CG 4.23Å; P927-Y940 HydrophobicContact CG-CE2 4.48Å; P927-N954 PolarHBondContact O-ND2 2.83Å
928	C	76.9	Confident	69.2	Low	4 Å²	4	82.7 Å²	82.7	3%	0.027	43%	0.426	C	S	.	.	S	Bend	trans	-118	67.4	176.2	-54.2	0	0	0	0	110.8	S926 Y930 S931 C933 C942	S926-C928 PolarHBondContact O-N 3.49Å; S926-C928 VanDerWaalsContact O-N 3.1Å; C928-Y930 PolarHBondContact O-N 3.14Å; C928-Y930 VanDerWaalsContact O-N 3.15Å; C928-S931 WeakPolarHBondContact CB-OG 3.33Å; C928-S931 PolarHBondContact O-N 3.38Å; C928-C933 HydrophobicContact CB-CB 3.84Å; C928-C942 VanDerWaalsContact CA-SG 3.53Å; C928-C942 HydrophobicContact CB-CB 3.85Å; C928-C942 WeakPolarHBondContact CB-SG 3.09Å; C928-C942 WeakPolarHBondContact SG-CA 3.33Å; C928-C942 WeakPolarHBondContact SG-CB 3.47Å; C928-C942 CovalentContact SG-SG 2.04Å; C928-C942 PolarHBondContact SG-SG 3.17Å
929	P	67.8	Low	70.9	Confident	51 Å²	51	74.8 Å²	74.8	33%	0.331	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.9	-166.4	28.6	-31.4	0	0	0	113.9	M925 S926 P927	M925-P929 HydrophobicContact CG-CB 3.85Å; M925-P929 HydrophobicContact CG-CG 3.97Å; M925-P929 HydrophobicContact SD-CB 3.65Å; M925-P929 HydrophobicContact SD-CG 4.21Å; S926-P929 WeakPolarHBondContact O-CD 3.07Å; P927-P929 VanDerWaalsContact C-CD 3.47Å; P927-P929 WeakPolarHBondContact O-CD 3.38Å
930	Y	70	Confident	72.7	Confident	121 Å²	121	72.2 Å²	72.2	48%	0.475	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-132.4	23.6	-179.5	-50.3	-76.8	0	0	0	112.3	C928 N954 R955 C956	C928-Y930 PolarHBondContact O-N 3.14Å; C928-Y930 VanDerWaalsContact O-N 3.15Å; Y930-N954 CarbonylContact C-O 3.57Å; Y930-N954 WeakPolarHBondContact CB-O 3.32Å; Y930-R955 HydrophobicContact CD1-CG 4.44Å; Y930-R955 HydrophobicContact CD2-CG 3.42Å; Y930-R955 VanDerWaalsContact CD2-CG 3.42Å; Y930-R955 HydrophobicContact CE2-CG 4.2Å; Y930-R955 HydrophobicContact CG-CG 3.59Å; Y930-C956 PolarHBondContact O-N 3.35Å; Y930-C956 PolarHBondContact O-SG 2.91Å
931	S	72.5	Confident	74.2	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.021	37%	0.368	C	S	.	.	S	Bend	trans	-148.8	-174.2	-174.7	31.7	0	0	0	0	110.6	C928 Q943 N954 R1147	C928-S931 WeakPolarHBondContact CB-OG 3.33Å; C928-S931 PolarHBondContact O-N 3.38Å; S931-Q943 WeakPolarHBondContact CB-O 3.32Å; S931-N954 WeakPolarHBondContact CB-O 3.4Å; S931-N954 PolarHBondContact OG-O 2.99Å; S931-R1147 PolarHBondContact O-NH2 2.04Å
932	L	79.2	Confident	75.7	Confident	25 Å²	25	66.4 Å²	66.4	13%	0.131	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.7	169.7	-176.7	55.3	0	0	0	108.7	I934 C942 Q943 R1147	L932-I934 HydrophobicContact CG-CG1 4.38Å; L932-C942 CarbonylContact O-C 3.55Å; L932-C942 WeakPolarHBondContact O-CA 3.39Å; L932-Q943 WeakPolarHBondContact CB-O 3.44Å; L932-Q943 PolarHBondContact N-O 3.12Å; L932-Q943 PolarHBondContact O-N 3.03Å; L932-R1147 HydrophobicContact CD1-CG 3.84Å
933	C	84	Confident	76.9	Confident	27 Å²	27	62.3 Å²	62.3	18%	0.182	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.3	171.5	-166.2	0	0	0	0	109.2	C913 C928	C913-C933 WeakPolarHBondContact CA-SG 3.19Å; C913-C933 HydrophobicContact CB-CB 3.61Å; C913-C933 WeakPolarHBondContact CB-SG 3.07Å; C913-C933 WeakPolarHBondContact SG-CB 3.4Å; C913-C933 CovalentContact SG-SG 2.03Å; C913-C933 PolarHBondContact SG-SG 3.32Å; C928-C933 HydrophobicContact CB-CB 3.84Å
934	I	84.9	Confident	78.1	Confident	44 Å²	44	56.3 Å²	56.3	23%	0.226	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.4	173.4	-60.9	-179.9	0	0	0	107	C913 L932 Q941 Q943	C913-I934 VanDerWaalsContact SG-C 3.54Å; C913-I934 PolarHBondContact SG-N 3.01Å; L932-I934 HydrophobicContact CG-CG1 4.38Å; I934-Q941 PolarHBondContact N-O 3.25Å; I934-Q941 PolarHBondContact O-N 2.92Å; I934-Q943 HydrophobicContact CD1-CB 3.77Å; I934-Q943 HydrophobicContact CD1-CG 4.46Å; I934-Q943 HydrophobicContact CG1-CB 4.49Å
935	N	84.9	Confident	78.8	Confident	53 Å²	53	52.8 Å²	52.8	28%	0.283	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143.3	-178.9	-166.1	51.8	0	0	0	111.3	D909 D911	D909-N935 PolarHBondContact OD2-ND2 3.34Å; D911-N935 WeakPolarHBondContact CA-OD1 3.13Å
936	Q	86	Confident	79.4	Confident	75 Å²	75	53.7 Å²	53.7	35%	0.35	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.8	176	-41.9	-179.8	-39.9	0	0	108.6	G938 S939 Q941	Q936-G938 PolarHBondContact O-N 3.21Å; Q936-S939 CarbonylContact C-O 3.53Å; Q936-S939 VanDerWaalsContact CA-O 3.26Å; Q936-S939 WeakPolarHBondContact CA-O 3.38Å; Q936-S939 WeakPolarHBondContact CB-O 3.08Å; Q936-S939 PolarHBondContact N-O 3.47Å; Q936-S939 CarbonylContact O-C 3.56Å; Q936-S939 PolarHBondContact O-N 3.46Å; Q936-Q941 HydrophobicContact CG-CB 4.49Å
937	P	86.3	Confident	79.8	Confident	105 Å²	105	52 Å²	52	68%	0.682	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	115.8	179.2	-25.6	35.5	0	0	0	111.9	S939	P937-S939 VanDerWaalsContact C-N 3.34Å; P937-S939 PolarHBondContact O-N 2.89Å
938	G	84.8	Confident	80.1	Confident	21 Å²	21	51.6 Å²	51.6	22%	0.216	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	3.9	-179.7	0	0	0	0	0	116.2	D909 Q936	D909-G938 PolarHBondContact OD1-N 3.24Å; Q936-G938 PolarHBondContact O-N 3.21Å
939	S	86.5	Confident	80.5	Confident	57 Å²	57	56.7 Å²	56.7	40%	0.399	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	145.2	179.5	-175.2	0	0	0	0	113.7	Q936 P937	Q936-S939 CarbonylContact C-O 3.53Å; Q936-S939 VanDerWaalsContact CA-O 3.26Å; Q936-S939 WeakPolarHBondContact CA-O 3.38Å; Q936-S939 WeakPolarHBondContact CB-O 3.08Å; Q936-S939 PolarHBondContact N-O 3.47Å; Q936-S939 CarbonylContact O-C 3.56Å; Q936-S939 PolarHBondContact O-N 3.46Å; P937-S939 VanDerWaalsContact C-N 3.34Å; P937-S939 PolarHBondContact O-N 2.89Å
940	Y	86.1	Confident	81.2	Confident	89 Å²	89	58 Å²	58	35%	0.349	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	155.5	164	65.8	-76.9	0	0	0	113.3	E912 P927	E912-Y940 HydrophobicContact CB-CD1 3.91Å; E912-Y940 HydrophobicContact CB-CG 4.37Å; E912-Y940 VanDerWaalsContact CD-CD1 3.49Å; E912-Y940 HydrophobicContact CG-CD1 4.06Å; E912-Y940 WeakPolarHBondContact OE2-CB 3.11Å; E912-Y940 WeakPolarHBondContact OE2-CD1 3.26Å; E912-Y940 PolarHBondContact OE2-N 3.3Å; P927-Y940 HydrophobicContact CB-CD1 4.41Å; P927-Y940 HydrophobicContact CB-CD2 3.7Å; P927-Y940 HydrophobicContact CB-CE1 4.1Å; P927-Y940 HydrophobicContact CB-CE2 3.32Å; P927-Y940 HydrophobicContact CB-CG 4.23Å; P927-Y940 HydrophobicContact CG-CE2 4.48Å
941	Q	85.4	Confident	81.6	Confident	102 Å²	102	53.4 Å²	53.4	48%	0.477	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.7	165.3	-173.6	175.3	17.6	0	0	110.7	I934 Q936	I934-Q941 PolarHBondContact N-O 3.25Å; I934-Q941 PolarHBondContact O-N 2.92Å; Q936-Q941 HydrophobicContact CG-CB 4.49Å
942	C	84.9	Confident	81.9	Confident	13 Å²	13	64.8 Å²	64.8	9%	0.088	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119	169.1	-55.6	0	0	0	0	110.6	C928 L932 L950 N954	C928-C942 VanDerWaalsContact CA-SG 3.53Å; C928-C942 HydrophobicContact CB-CB 3.85Å; C928-C942 WeakPolarHBondContact CB-SG 3.09Å; C928-C942 WeakPolarHBondContact SG-CA 3.33Å; C928-C942 WeakPolarHBondContact SG-CB 3.47Å; C928-C942 CovalentContact SG-SG 2.04Å; C928-C942 PolarHBondContact SG-SG 3.17Å; L932-C942 CarbonylContact O-C 3.55Å; L932-C942 WeakPolarHBondContact O-CA 3.39Å; C942-L950 HydrophobicContact CB-CD1 4.03Å; C942-L950 HydrophobicContact CB-CD2 4.19Å; C942-N954 HydrophobicContact CB-CB 4.43Å; C942-N954 PolarHBondContact SG-ND2 2.67Å; C942-N954 VanDerWaalsContact SG-ND2 3.35Å
943	Q	82.8	Confident	81.7	Confident	83 Å²	83	66 Å²	66	39%	0.388	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	154	172.6	-175.1	170.7	5.1	0	0	111	S931 L932 I934	S931-Q943 WeakPolarHBondContact CB-O 3.32Å; L932-Q943 WeakPolarHBondContact CB-O 3.44Å; L932-Q943 PolarHBondContact N-O 3.12Å; L932-Q943 PolarHBondContact O-N 3.03Å; I934-Q943 HydrophobicContact CD1-CB 3.77Å; I934-Q943 HydrophobicContact CD1-CG 4.46Å; I934-Q943 HydrophobicContact CG1-CB 4.49Å
944	C	79.9	Confident	81.3	Confident	11 Å²	11	67.1 Å²	67.1	7%	0.074	36%	0.356	C	S	.	.			trans	-105.1	151.5	169	-72.1	0	0	0	0	111.2	F948 C956	C944-F948 HydrophobicContact CB-CB 3.94Å; C944-F948 WeakPolarHBondContact CB-O 3.47Å; C944-C956 WeakPolarHBondContact CA-SG 3.12Å; C944-C956 HydrophobicContact CB-CB 3.86Å; C944-C956 WeakPolarHBondContact CB-SG 3.44Å; C944-C956 WeakPolarHBondContact SG-CA 3.22Å; C944-C956 WeakPolarHBondContact SG-CB 3Å; C944-C956 CovalentContact SG-SG 2.04Å; C944-C956 PolarHBondContact SG-SG 3.16Å
945	P	70.3	Confident	80.9	Confident	17 Å²	17	70.3 Å²	70.3	11%	0.11	37%	0.365	C	S	.	.			trans	-59.4	157.2	171.2	-16.4	29.5	0	0	0	111.2	F948 L1143	P945-F948 HydrophobicContact CB-CD2 4.17Å; P945-F948 HydrophobicContact CG-CD2 4.46Å; P945-F948 WeakPolarHBondContact O-CB 3.46Å; P945-F948 PolarHBondContact O-N 3.35Å; P945-L1143 HydrophobicContact CG-CD2 3.7Å
946	D	75	Confident	80.5	Confident	148 Å²	148	68.7 Å²	68.7	79%	0.791	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	142.7	174.4	-51.8	-53.1	0	0	0	111.2	F948	D946-F948 VanDerWaalsContact C-N 3.31Å
947	G	73.4	Confident	80.4	Confident	18 Å²	18	70 Å²	70	19%	0.186	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-1.9	-169.2	0	0	0	0	0	114.9	I959	G947-I959 PolarHBondContact O-N 3.3Å; G947-I959 VanDerWaalsContact O-N 3.1Å
948	F	81.1	Confident	80	Confident	17 Å²	17	67 Å²	67	8%	0.075	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.3	176.7	-58.6	-88.5	0	0	0	112.6	C944 P945 D946 C956 Y957 G986 F1139	C944-F948 HydrophobicContact CB-CB 3.94Å; C944-F948 WeakPolarHBondContact CB-O 3.47Å; P945-F948 HydrophobicContact CB-CD2 4.17Å; P945-F948 HydrophobicContact CG-CD2 4.46Å; P945-F948 WeakPolarHBondContact O-CB 3.46Å; P945-F948 PolarHBondContact O-N 3.35Å; D946-F948 VanDerWaalsContact C-N 3.31Å; F948-C956 HydrophobicContact CB-CB 4.02Å; F948-C956 HydrophobicContact CG-CB 4.49Å; F948-Y957 CarbonylContact C-O 3.56Å; F948-Y957 VanDerWaalsContact CA-O 3.27Å; F948-Y957 WeakPolarHBondContact CA-O 3.3Å; F948-G986 VanDerWaalsContact CE2-CA 3.46Å; F948-G986 VanDerWaalsContact CZ-CA 3.41Å; F948-F1139 HydrophobicContact CD1-CE2 4.25Å; F948-F1139 AromaticContact CE1-CD2 3.96Å; F948-F1139 HydrophobicContact CE1-CD2 3.96Å; F948-F1139 AromaticContact CE1-CE2 3.58Å; F948-F1139 HydrophobicContact CE1-CE2 3.58Å; F948-F1139 HydrophobicContact CE2-CE2 4.39Å; F948-F1139 AromaticContact CZ-CD2 3.68Å; F948-F1139 HydrophobicContact CZ-CD2 3.68Å; F948-F1139 AromaticContact CZ-CE2 3.66Å; F948-F1139 HydrophobicContact CZ-CE2 3.66Å
949	R	84.5	Confident	79.9	Confident	110 Å²	110	68 Å²	68	42%	0.415	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.7	173.6	59.8	176.2	165.8	-141.7	-19	112.1	G951 C956 Y957 I959 E964	R949-G951 PolarHBondContact O-N 2.9Å; R949-C956 WeakPolarHBondContact O-CA 3.39Å; R949-Y957 PolarHBondContact N-O 3.18Å; R949-Y957 PolarHBondContact O-N 2.86Å; R949-I959 HydrophobicContact CB-CD1 4.28Å; R949-I959 HydrophobicContact CB-CG1 4.08Å; R949-I959 HydrophobicContact CG-CG1 4.1Å; R949-E964 IonicContact CZ-OE1 3.1Å; R949-E964 IonicContact CZ-OE2 3.06Å; R949-E964 IonicContact NH1-OE1 3.86Å; R949-E964 PolarHBondContact NH1-OE1 3.34Å; R949-E964 IonicContact NH1-OE2 2.91Å; R949-E964 PolarHBondContact NH1-OE2 2.87Å; R949-E964 IonicContact NH2-OE1 3.5Å; R949-E964 PolarHBondContact NH2-OE1 3.45Å; R949-E964 IonicContact NH2-OE2 3.59Å
950	L	81.7	Confident	79.7	Confident	80 Å²	80	68 Å²	68	42%	0.419	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	121.9	172.8	-166	81.3	0	0	0	110	C942	C942-L950 HydrophobicContact CB-CD1 4.03Å; C942-L950 HydrophobicContact CB-CD2 4.19Å
951	G	79.5	Confident	79.7	Confident	23 Å²	23	64.5 Å²	64.5	24%	0.237	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	178.3	172.3	0	0	0	0	0	112.7	R949 G953 N954 R955	R949-G951 PolarHBondContact O-N 2.9Å; G951-G953 PolarHBondContact O-N 3.37Å; G951-N954 PolarHBondContact O-N 2.82Å; G951-R955 PolarHBondContact N-O 2.88Å; G951-R955 PolarHBondContact O-N 2.04Å
952	R	79.6	Confident	79.6	Confident	242 Å²	242	61.7 Å²	61.7	91%	0.913	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	130.7	-173.3	-168.9	177.5	-175.9	-176.8	1.8	112.5
953	G	73.3	Confident	79.6	Confident	50 Å²	50	68.6 Å²	68.6	52%	0.515	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	30	-176.4	0	0	0	0	0	113.9	G951 R955	G951-G953 PolarHBondContact O-N 3.37Å; G953-R955 PolarHBondContact O-N 3.15Å
954	N	75.8	Confident	79.6	Confident	52 Å²	52	68.9 Å²	68.9	28%	0.278	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	36.9	177.7	-58.8	-6.5	0	0	0	113.3	P927 Y930 S931 C942 G951	P927-N954 PolarHBondContact O-ND2 2.83Å; Y930-N954 CarbonylContact C-O 3.57Å; Y930-N954 WeakPolarHBondContact CB-O 3.32Å; S931-N954 WeakPolarHBondContact CB-O 3.4Å; S931-N954 PolarHBondContact OG-O 2.99Å; C942-N954 HydrophobicContact CB-CB 4.43Å; C942-N954 PolarHBondContact SG-ND2 2.67Å; C942-N954 VanDerWaalsContact SG-ND2 3.35Å; G951-N954 PolarHBondContact O-N 2.82Å
955	R	76.2	Confident	79.6	Confident	110 Å²	110	73.4 Å²	73.4	42%	0.415	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133	-179.1	-79.5	175.1	179.9	173.8	1.6	111.4	Y930 G951 G953 Y957	Y930-R955 HydrophobicContact CD1-CG 4.44Å; Y930-R955 HydrophobicContact CD2-CG 3.42Å; Y930-R955 VanDerWaalsContact CD2-CG 3.42Å; Y930-R955 HydrophobicContact CE2-CG 4.2Å; Y930-R955 HydrophobicContact CG-CG 3.59Å; G951-R955 PolarHBondContact N-O 2.88Å; G951-R955 PolarHBondContact O-N 2.04Å; G953-R955 PolarHBondContact O-N 3.15Å; R955-Y957 HydrophobicContact CB-CD2 4.3Å; R955-Y957 HydrophobicContact CB-CE2 3.52Å; R955-Y957 WeakPolarHBondContact O-CD2 3.02Å; R955-Y957 WeakPolarHBondContact O-CE2 3Å
956	C	78.3	Confident	79.8	Confident	19 Å²	19	80.6 Å²	80.6	13%	0.128	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.4	169.5	-59.5	0	0	0	0	110.9	Y930 C944 F948 R949	Y930-C956 PolarHBondContact O-N 3.35Å; Y930-C956 PolarHBondContact O-SG 2.91Å; C944-C956 WeakPolarHBondContact CA-SG 3.12Å; C944-C956 HydrophobicContact CB-CB 3.86Å; C944-C956 WeakPolarHBondContact CB-SG 3.44Å; C944-C956 WeakPolarHBondContact SG-CA 3.22Å; C944-C956 WeakPolarHBondContact SG-CB 3Å; C944-C956 CovalentContact SG-SG 2.04Å; C944-C956 PolarHBondContact SG-SG 3.16Å; F948-C956 HydrophobicContact CB-CB 4.02Å; F948-C956 HydrophobicContact CG-CB 4.49Å; R949-C956 WeakPolarHBondContact O-CA 3.39Å
957	Y	82.2	Confident	79.8	Confident	103 Å²	103	77.3 Å²	77.3	40%	0.404	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	145.5	174	-62.7	-91.3	0	0	0	109.5	F948 R949 R955	F948-Y957 CarbonylContact C-O 3.56Å; F948-Y957 VanDerWaalsContact CA-O 3.27Å; F948-Y957 WeakPolarHBondContact CA-O 3.3Å; R949-Y957 PolarHBondContact N-O 3.18Å; R949-Y957 PolarHBondContact O-N 2.86Å; R955-Y957 HydrophobicContact CB-CD2 4.3Å; R955-Y957 HydrophobicContact CB-CE2 3.52Å; R955-Y957 WeakPolarHBondContact O-CD2 3.02Å; R955-Y957 WeakPolarHBondContact O-CE2 3Å
958	D	78.6	Confident	80.1	Confident	43 Å²	43	78.1 Å²	78.1	23%	0.23	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	138.6	174.8	-159.5	38.9	0	0	0	111.1	N983 M985 G986	D958-N983 PolarHBondContact OD2-ND2 3.48Å; D958-M985 VanDerWaalsContact OD1-CA 3.24Å; D958-M985 WeakPolarHBondContact OD1-CA 3.18Å; D958-G986 PolarHBondContact OD1-N 3.19Å
959	I	82.8	Confident	79.8	Confident	41 Å²	41	78 Å²	78	21%	0.21	38%	0.382	C	S	.	.			trans	-95.6	108.8	166.3	-56.8	172.8	0	0	0	105.7	G947 R949 E961	G947-I959 PolarHBondContact O-N 3.3Å; G947-I959 VanDerWaalsContact O-N 3.1Å; R949-I959 HydrophobicContact CB-CD1 4.28Å; R949-I959 HydrophobicContact CB-CG1 4.08Å; R949-I959 HydrophobicContact CG-CG1 4.1Å; I959-E961 VanDerWaalsContact C-N 3.32Å; I959-E961 HydrophobicContact CG2-CG 4.13Å; I959-E961 VanDerWaalsContact O-CD 3.28Å; I959-E961 PolarHBondContact O-N 3.23Å
960	D	83.4	Confident	79.3	Confident	56 Å²	56	79.6 Å²	79.6	30%	0.299	39%	0.392	S	S	.	.			trans	-75.3	88.3	175.2	-169	-47.6	0	0	0	108.6	C962 H963 E964 N983	D960-C962 PolarHBondContact O-N 2.96Å; D960-C962 WeakPolarHBondContact OD1-CB 3.49Å; D960-C962 PolarHBondContact OD1-N 3.16Å; D960-H963 HydrophobicContact CB-CB 4.13Å; D960-H963 PolarHBondContact O-N 2.76Å; D960-H963 PolarHBondContact OD1-N 3.49Å; D960-E964 WeakPolarHBondContact O-CB 3.31Å; D960-E964 PolarHBondContact O-N 2.74Å; D960-N983 WeakPolarHBondContact CA-ND2 3.32Å; D960-N983 WeakPolarHBondContact CB-ND2 3.36Å; D960-N983 PolarHBondContact OD2-ND2 2.64Å
961	E	84.7	Confident	78.4	Confident	17 Å²	17	78.8 Å²	78.8	8%	0.079	39%	0.393	C	S	.	.	H	α-helix	trans	-67.9	-19.7	-173.9	-45.2	99.1	139.9	0	0	111.6	I959 H963 M965 S987 Y988	I959-E961 VanDerWaalsContact C-N 3.32Å; I959-E961 HydrophobicContact CG2-CG 4.13Å; I959-E961 VanDerWaalsContact O-CD 3.28Å; I959-E961 PolarHBondContact O-N 3.23Å; E961-H963 VanDerWaalsContact C-N 3.31Å; E961-H963 PolarHBondContact O-N 3.38Å; E961-M965 HydrophobicContact CB-CG 4.43Å; E961-M965 HydrophobicContact CB-SD 4.38Å; E961-M965 WeakPolarHBondContact O-CA 3.44Å; E961-M965 WeakPolarHBondContact O-CB 3.41Å; E961-M965 PolarHBondContact O-N 2.6Å; E961-S987 WeakPolarHBondContact OE1-CA 3.38Å; E961-Y988 HydrophobicContact CB-CD1 3.67Å; E961-Y988 HydrophobicContact CB-CE1 4.34Å; E961-Y988 HydrophobicContact CB-CG 4.11Å; E961-Y988 VanDerWaalsContact CD-CD1 3.49Å; E961-Y988 HydrophobicContact CG-CD1 3.82Å; E961-Y988 HydrophobicContact CG-CE1 4.44Å; E961-Y988 PolarHBondContact OE1-N 3.46Å; E961-Y988 WeakPolarHBondContact OE2-CB 3.27Å; E961-Y988 PolarHBondContact OE2-N 3.25Å
962	C	82.6	Confident	77.8	Confident	42 Å²	42	85.8 Å²	85.8	28%	0.284	43%	0.425	S	S	.	.	H	α-helix	trans	-70.4	-25.1	172.2	-58.5	0	0	0	0	113.4	D960 C981 I982 N983	D960-C962 PolarHBondContact O-N 2.96Å; D960-C962 WeakPolarHBondContact OD1-CB 3.49Å; D960-C962 PolarHBondContact OD1-N 3.16Å; C962-C981 WeakPolarHBondContact CA-SG 3.14Å; C962-C981 HydrophobicContact CB-CB 3.66Å; C962-C981 WeakPolarHBondContact CB-SG 3.33Å; C962-C981 WeakPolarHBondContact SG-CB 3.27Å; C962-C981 CovalentContact SG-SG 2.03Å; C962-C981 PolarHBondContact SG-SG 2.04Å; C962-I982 PolarHBondContact SG-N 3.18Å; C962-N983 HydrophobicContact CB-CB 4.45Å; C962-N983 PolarHBondContact SG-N 3.38Å
963	H	85.2	Confident	77.1	Confident	158 Å²	158	78.2 Å²	78.2	73%	0.731	40%	0.402	S	S	*	.	H	α-helix	trans	-99.1	-32.6	174.9	-170.1	-59.2	0	0	0	112.6	D960 E961	D960-H963 HydrophobicContact CB-CB 4.13Å; D960-H963 PolarHBondContact O-N 2.76Å; D960-H963 PolarHBondContact OD1-N 3.49Å; E961-H963 VanDerWaalsContact C-N 3.31Å; E961-H963 PolarHBondContact O-N 3.38Å
964	E	84.3	Confident	76.7	Confident	90 Å²	90	81.7 Å²	81.7	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-98	-20.9	-172	-64.6	-172.2	-156.2	0	0	114	R949 D960	R949-E964 IonicContact CZ-OE1 3.1Å; R949-E964 IonicContact CZ-OE2 3.06Å; R949-E964 IonicContact NH1-OE1 3.86Å; R949-E964 PolarHBondContact NH1-OE1 3.34Å; R949-E964 IonicContact NH1-OE2 2.91Å; R949-E964 PolarHBondContact NH1-OE2 2.87Å; R949-E964 IonicContact NH2-OE1 3.5Å; R949-E964 PolarHBondContact NH2-OE1 3.45Å; R949-E964 IonicContact NH2-OE2 3.59Å; D960-E964 WeakPolarHBondContact O-CB 3.31Å; D960-E964 PolarHBondContact O-N 2.74Å
965	M	80.1	Confident	76.2	Confident	106 Å²	106	89.2 Å²	89.2	52%	0.522	44%	0.442	S	S	.	.	S	Bend	trans	-111	90.2	171.8	-65.1	-172.6	178.3	0	0	110.2	E961 N967 V968	E961-M965 HydrophobicContact CB-CG 4.43Å; E961-M965 HydrophobicContact CB-SD 4.38Å; E961-M965 WeakPolarHBondContact O-CA 3.44Å; E961-M965 WeakPolarHBondContact O-CB 3.41Å; E961-M965 PolarHBondContact O-N 2.6Å; M965-N967 PolarHBondContact O-N 2.83Å; M965-V968 HydrophobicContact CB-CB 3.76Å; M965-V968 HydrophobicContact CB-CG2 3.91Å; M965-V968 WeakPolarHBondContact O-CB 3.17Å; M965-V968 PolarHBondContact O-N 3.49Å; M965-V968 VanDerWaalsContact O-N 3.12Å; M965-V968 HydrophobicContact SD-CG2 4.05Å
966	E	72.7	Confident	75.3	Confident	167 Å²	167	85.6 Å²	85.6	78%	0.78	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	132.3	171.9	-161.8	-169.7	-175	0	0	109.4
967	N	75.3	Confident	74.5	Confident	79 Å²	79	87.4 Å²	87.4	42%	0.422	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	8.7	-177.5	-41.1	-77.2	0	0	0	116.5	M965 C969 K970	M965-N967 PolarHBondContact O-N 2.83Å; N967-C969 PolarHBondContact O-N 3.37Å; N967-K970 HydrophobicContact CB-CB 4.23Å; N967-K970 HydrophobicContact CB-CD 3.95Å; N967-K970 HydrophobicContact CB-CG 4.13Å; N967-K970 PolarHBondContact O-N 3.09Å; N967-K970 VanDerWaalsContact OD1-CD 3.26Å; N967-K970 WeakPolarHBondContact OD1-CD 3.23Å; N967-K970 WeakPolarHBondContact OD1-CE 3.48Å; N967-K970 PolarHBondContact OD1-NZ 3.26Å
968	V	79.8	Confident	73.8	Confident	35 Å²	35	86.2 Å²	86.2	21%	0.212	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.2	-175.9	80	0	0	0	0	115.3	M965 C981 Y988	M965-V968 HydrophobicContact CB-CB 3.76Å; M965-V968 HydrophobicContact CB-CG2 3.91Å; M965-V968 WeakPolarHBondContact O-CB 3.17Å; M965-V968 PolarHBondContact O-N 3.49Å; M965-V968 VanDerWaalsContact O-N 3.12Å; M965-V968 HydrophobicContact SD-CG2 4.05Å; V968-C981 HydrophobicContact CG1-CB 4.45Å; V968-C981 WeakPolarHBondContact CG1-SG 3.27Å; V968-Y988 HydrophobicContact CB-CE2 4.39Å; V968-Y988 HydrophobicContact CG1-CD2 4.02Å; V968-Y988 HydrophobicContact CG1-CE2 4.19Å; V968-Y988 HydrophobicContact CG2-CD1 4.36Å; V968-Y988 HydrophobicContact CG2-CD2 4.03Å; V968-Y988 HydrophobicContact CG2-CE1 3.86Å; V968-Y988 HydrophobicContact CG2-CE2 3.49Å; V968-Y988 VanDerWaalsContact CG2-CE2 3.49Å; V968-Y988 HydrophobicContact CG2-CG 4.44Å
969	C	75.8	Confident	73.5	Confident	14 Å²	14	88.2 Å²	88.2	10%	0.095	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	12.1	175.4	-68.8	0	0	0	0	114.9	N967 Q979 C981 C990	N967-C969 PolarHBondContact O-N 3.37Å; C969-Q979 HydrophobicContact CB-CB 4.15Å; C969-C981 HydrophobicContact CB-CB 4.28Å; C969-C981 VanDerWaalsContact SG-CB 3.56Å; C969-C981 VanDerWaalsContact SG-SG 3.63Å; C969-C990 WeakPolarHBondContact CA-SG 3.22Å; C969-C990 HydrophobicContact CB-CB 3.7Å; C969-C990 WeakPolarHBondContact CB-SG 3.22Å; C969-C990 WeakPolarHBondContact SG-CA 3.44Å; C969-C990 WeakPolarHBondContact SG-CB 3.34Å; C969-C990 CovalentContact SG-SG 2.03Å; C969-C990 PolarHBondContact SG-SG 2.77Å
970	K	73	Confident	73	Confident	144 Å²	144	87.4 Å²	87.4	63%	0.626	46%	0.461	S	S	*	.			trans	-81.2	121.9	172.9	-69.5	-169.2	-172.8	164.5	0	109.7	N967	N967-K970 HydrophobicContact CB-CB 4.23Å; N967-K970 HydrophobicContact CB-CD 3.95Å; N967-K970 HydrophobicContact CB-CG 4.13Å; N967-K970 PolarHBondContact O-N 3.09Å; N967-K970 VanDerWaalsContact OD1-CD 3.26Å; N967-K970 WeakPolarHBondContact OD1-CD 3.23Å; N967-K970 WeakPolarHBondContact OD1-CE 3.48Å; N967-K970 PolarHBondContact OD1-NZ 3.26Å
971	S	63.9	Low	72.8	Confident	63 Å²	63	86.8 Å²	86.8	44%	0.441	46%	0.461	S	S	.	.			trans	-71.6	139.9	168.9	-168.4	0	0	0	0	110.3	N973	S971-N973 PolarHBondContact O-N 3.27Å; S971-N973 VanDerWaalsContact O-N 3.17Å; S971-N973 PolarHBondContact OG-N 3.2Å
972	N	66.3	Low	72.3	Confident	171 Å²	171	87.3 Å²	87.3	91%	0.914	46%	0.464	S	S	*	.	S	Bend	trans	-67.3	-6.3	168.5	-68.9	-18.7	0	0	0	113	P974	N972-P974 WeakPolarHBondContact O-CD 3.4Å
973	N	65.9	Low	71.9	Confident	82 Å²	82	87.2 Å²	87.2	44%	0.439	46%	0.461	S	S	.	.			trans	-89.7	114.4	172.8	179.1	4.3	0	0	0	110.5	S971 Y975 A976	S971-N973 PolarHBondContact O-N 3.27Å; S971-N973 VanDerWaalsContact O-N 3.17Å; S971-N973 PolarHBondContact OG-N 3.2Å; N973-Y975 PolarHBondContact O-N 3.2Å; N973-Y975 VanDerWaalsContact O-N 3.09Å; N973-Y975 WeakPolarHBondContact OD1-CB 3.26Å; N973-Y975 PolarHBondContact OD1-N 3.31Å; N973-A976 HydrophobicContact CB-CB 4.32Å; N973-A976 WeakPolarHBondContact O-CB 3.36Å; N973-A976 PolarHBondContact O-N 3.31Å
974	P	64.4	Low	71.1	Confident	123 Å²	123	81.6 Å²	81.6	80%	0.799	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.1	179.6	29.5	-36.2	0	0	0	114.5	N972	N972-P974 WeakPolarHBondContact O-CD 3.4Å
975	Y	64.9	Low	70.3	Confident	210 Å²	210	82.2 Å²	82.2	82%	0.824	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	5	172.9	-59.3	-79.7	0	0	0	113.7	N973	N973-Y975 PolarHBondContact O-N 3.2Å; N973-Y975 VanDerWaalsContact O-N 3.09Å; N973-Y975 WeakPolarHBondContact OD1-CB 3.26Å; N973-Y975 PolarHBondContact OD1-N 3.31Å
976	A	58	Low	69.7	Low	34 Å²	34	77.6 Å²	77.6	28%	0.281	42%	0.42	S	S	.	.	S	Bend	trans	-76.4	141	173.6	0	0	0	0	0	111	N973	N973-A976 HydrophobicContact CB-CB 4.32Å; N973-A976 WeakPolarHBondContact O-CB 3.36Å; N973-A976 PolarHBondContact O-N 3.31Å
977	P	61.7	Low	69.6	Low	58 Å²	58	72.1 Å²	72.1	38%	0.377	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-63.4	151.6	174	29.1	-36.2	0	0	0	110.6	Q979 E994	P977-Q979 PolarHBondContact O-N 3.45Å; P977-E994 HydrophobicContact CB-CG 4.36Å; P977-E994 WeakPolarHBondContact CB-OE1 3.38Å
978	S	65.7	Low	69.8	Low	77 Å²	77	72.4 Å²	72.4	54%	0.538	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-59.4	129.7	178.2	49.1	0	0	0	0	110.9	D993	S978-D993 PolarHBondContact O-N 3Å
979	Q	72	Confident	69.3	Low	85 Å²	85	73.4 Å²	73.4	40%	0.397	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.7	178.6	-57.9	-173.5	6.5	0	0	110.4	C969 P977 C990 V991	C969-Q979 HydrophobicContact CB-CB 4.15Å; P977-Q979 PolarHBondContact O-N 3.45Å; Q979-C990 HydrophobicContact CB-CB 4.24Å; Q979-V991 CarbonylContact C-O 3.49Å; Q979-V991 WeakPolarHBondContact CA-O 3.45Å; Q979-V991 WeakPolarHBondContact CB-O 3.5Å
980	A	73.2	Confident	69.3	Low	25 Å²	25	74.8 Å²	74.8	21%	0.207	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.3	167.2	0	0	0	0	0	109.4	V991 D993	A980-V991 HydrophobicContact CB-CG2 4.23Å; A980-V991 PolarHBondContact N-O 2.69Å; A980-V991 PolarHBondContact O-N 3Å; A980-D993 HydrophobicContact CB-CB 3.87Å
981	C	78.5	Confident	69.1	Low	42 Å²	42	69 Å²	69	28%	0.284	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.4	170.6	-166.6	0	0	0	0	109.7	C962 V968 C969	C962-C981 WeakPolarHBondContact CA-SG 3.14Å; C962-C981 HydrophobicContact CB-CB 3.66Å; C962-C981 WeakPolarHBondContact CB-SG 3.33Å; C962-C981 WeakPolarHBondContact SG-CB 3.27Å; C962-C981 CovalentContact SG-SG 2.03Å; C962-C981 PolarHBondContact SG-SG 2.04Å; V968-C981 HydrophobicContact CG1-CB 4.45Å; V968-C981 WeakPolarHBondContact CG1-SG 3.27Å; C969-C981 HydrophobicContact CB-CB 4.28Å; C969-C981 VanDerWaalsContact SG-CB 3.56Å; C969-C981 VanDerWaalsContact SG-SG 3.63Å
982	I	75.4	Confident	69	Low	28 Å²	28	68.2 Å²	68.2	14%	0.144	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.3	169.9	-56.2	165.2	0	0	0	106.8	C962 L984 Y988 R989 V991 F1008	C962-I982 PolarHBondContact SG-N 3.18Å; I982-L984 HydrophobicContact CG2-CD2 3.81Å; I982-Y988 CarbonylContact O-C 3.52Å; I982-Y988 WeakPolarHBondContact O-CA 3.22Å; I982-R989 HydrophobicContact CB-CG 3.9Å; I982-R989 HydrophobicContact CD1-CG 4.25Å; I982-R989 PolarHBondContact N-O 3.26Å; I982-R989 PolarHBondContact O-N 3.24Å; I982-V991 HydrophobicContact CD1-CB 4.38Å; I982-V991 HydrophobicContact CD1-CG1 3.77Å; I982-V991 HydrophobicContact CD1-CG2 3.65Å; I982-V991 HydrophobicContact CG1-CG2 4.16Å; I982-F1008 HydrophobicContact CD1-CE2 3.77Å; I982-F1008 HydrophobicContact CG1-CE2 4.44Å
983	N	74	Confident	68.9	Low	41 Å²	41	64 Å²	64	22%	0.219	35%	0.354	C	S	.	.			trans	-72.3	135.6	170.1	-179.9	24.1	0	0	0	109.1	D958 D960 C962	D958-N983 PolarHBondContact OD2-ND2 3.48Å; D960-N983 WeakPolarHBondContact CA-ND2 3.32Å; D960-N983 WeakPolarHBondContact CB-ND2 3.36Å; D960-N983 PolarHBondContact OD2-ND2 2.64Å; C962-N983 HydrophobicContact CB-CB 4.45Å; C962-N983 PolarHBondContact SG-N 3.38Å
984	L	67.9	Low	68.7	Low	39 Å²	39	65.9 Å²	65.9	20%	0.204	36%	0.36	C	S	.	.			trans	-127.6	145.4	169.1	-35.2	164.3	0	0	0	106.3	I982 G986 S987 R989 T1136	I982-L984 HydrophobicContact CG2-CD2 3.81Å; L984-G986 PolarHBondContact O-N 3.09Å; L984-S987 WeakPolarHBondContact CA-O 3.44Å; L984-S987 WeakPolarHBondContact CB-O 3.06Å; L984-S987 VanDerWaalsContact CG-O 3.28Å; L984-S987 WeakPolarHBondContact CG-O 3.45Å; L984-S987 PolarHBondContact N-O 2.78Å; L984-S987 CarbonylContact O-C 3.42Å; L984-S987 PolarHBondContact O-N 2.98Å; L984-R989 HydrophobicContact CD1-CB 4.32Å; L984-R989 HydrophobicContact CD1-CG 4.01Å; L984-R989 HydrophobicContact CD2-CG 4.39Å; L984-R989 HydrophobicContact CG-CG 4.3Å; L984-T1136 HydrophobicContact CD1-CG2 4.36Å
985	M	67.7	Low	68.4	Low	103 Å²	103	62.9 Å²	62.9	51%	0.507	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	113.1	-179.8	-69.8	-178.2	69.4	0	0	111.5	D958 F1139 R1142	D958-M985 VanDerWaalsContact OD1-CA 3.24Å; D958-M985 WeakPolarHBondContact OD1-CA 3.18Å; M985-F1139 HydrophobicContact CE-CB 4.27Å; M985-F1139 HydrophobicContact CE-CD2 3.86Å; M985-F1139 HydrophobicContact CE-CE2 4.35Å; M985-F1139 HydrophobicContact CE-CG 4.05Å; M985-R1142 PolarHBondContact O-NH1 2.87Å; M985-R1142 PolarHBondContact O-NH2 3.31Å
986	G	68.7	Low	68.1	Low	10 Å²	10	55.1 Å²	55.1	10%	0.103	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	28.6	-178.1	0	0	0	0	0	116.3	F948 D958 L984 R1142	F948-G986 VanDerWaalsContact CE2-CA 3.46Å; F948-G986 VanDerWaalsContact CZ-CA 3.41Å; D958-G986 PolarHBondContact OD1-N 3.19Å; L984-G986 PolarHBondContact O-N 3.09Å; G986-R1142 VanDerWaalsContact C-NH1 3.31Å; G986-R1142 PolarHBondContact O-NH1 3.01Å
987	S	70.7	Confident	68.1	Low	52 Å²	52	58.9 Å²	58.9	36%	0.364	34%	0.336	S	S	.	.			trans	175.7	125.2	164.2	177	0	0	0	0	111.2	E961 L984	E961-S987 WeakPolarHBondContact OE1-CA 3.38Å; L984-S987 WeakPolarHBondContact CA-O 3.44Å; L984-S987 WeakPolarHBondContact CB-O 3.06Å; L984-S987 VanDerWaalsContact CG-O 3.28Å; L984-S987 WeakPolarHBondContact CG-O 3.45Å; L984-S987 PolarHBondContact N-O 2.78Å; L984-S987 CarbonylContact O-C 3.42Å; L984-S987 PolarHBondContact O-N 2.98Å
988	Y	77.4	Confident	68.2	Low	84 Å²	84	60.1 Å²	60.1	33%	0.329	34%	0.34	S	S	.	.			trans	-64.8	163	161	70	-72	0	0	0	113.4	E961 V968 I982	E961-Y988 HydrophobicContact CB-CD1 3.67Å; E961-Y988 HydrophobicContact CB-CE1 4.34Å; E961-Y988 HydrophobicContact CB-CG 4.11Å; E961-Y988 VanDerWaalsContact CD-CD1 3.49Å; E961-Y988 HydrophobicContact CG-CD1 3.82Å; E961-Y988 HydrophobicContact CG-CE1 4.44Å; E961-Y988 PolarHBondContact OE1-N 3.46Å; E961-Y988 WeakPolarHBondContact OE2-CB 3.27Å; E961-Y988 PolarHBondContact OE2-N 3.25Å; V968-Y988 HydrophobicContact CB-CE2 4.39Å; V968-Y988 HydrophobicContact CG1-CD2 4.02Å; V968-Y988 HydrophobicContact CG1-CE2 4.19Å; V968-Y988 HydrophobicContact CG2-CD1 4.36Å; V968-Y988 HydrophobicContact CG2-CD2 4.03Å; V968-Y988 HydrophobicContact CG2-CE1 3.86Å; V968-Y988 HydrophobicContact CG2-CE2 3.49Å; V968-Y988 VanDerWaalsContact CG2-CE2 3.49Å; V968-Y988 HydrophobicContact CG2-CG 4.44Å; I982-Y988 CarbonylContact O-C 3.52Å; I982-Y988 WeakPolarHBondContact O-CA 3.22Å
989	R	71.1	Confident	68	Low	56 Å²	56	58.3 Å²	58.3	21%	0.211	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.3	160.6	66.2	173.6	-64.5	-156.9	3.7	111.5	I982 L984 E1035	I982-R989 HydrophobicContact CB-CG 3.9Å; I982-R989 HydrophobicContact CD1-CG 4.25Å; I982-R989 PolarHBondContact N-O 3.26Å; I982-R989 PolarHBondContact O-N 3.24Å; L984-R989 HydrophobicContact CD1-CB 4.32Å; L984-R989 HydrophobicContact CD1-CG 4.01Å; L984-R989 HydrophobicContact CD2-CG 4.39Å; L984-R989 HydrophobicContact CG-CG 4.3Å; R989-E1035 IonicContact CZ-OE1 3.48Å; R989-E1035 IonicContact CZ-OE2 3.74Å; R989-E1035 IonicContact NH1-OE1 3.9Å; R989-E1035 PolarHBondContact NH1-OE1 3.07Å; R989-E1035 IonicContact NH1-OE2 2.72Å; R989-E1035 PolarHBondContact NH1-OE2 3.48Å
990	C	74.6	Confident	67.9	Low	43 Å²	43	57.1 Å²	57.1	29%	0.291	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.2	172.7	-50.1	0	0	0	0	110.5	C969 Q979	C969-C990 WeakPolarHBondContact CA-SG 3.22Å; C969-C990 HydrophobicContact CB-CB 3.7Å; C969-C990 WeakPolarHBondContact CB-SG 3.22Å; C969-C990 WeakPolarHBondContact SG-CA 3.44Å; C969-C990 WeakPolarHBondContact SG-CB 3.34Å; C969-C990 CovalentContact SG-SG 2.03Å; C969-C990 PolarHBondContact SG-SG 2.77Å; Q979-C990 HydrophobicContact CB-CB 4.24Å
991	V	68.4	Low	67.5	Low	24 Å²	24	58.7 Å²	58.7	15%	0.145	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.8	173.2	-63.5	0	0	0	0	109.5	Q979 A980 I982 D993	Q979-V991 CarbonylContact C-O 3.49Å; Q979-V991 WeakPolarHBondContact CA-O 3.45Å; Q979-V991 WeakPolarHBondContact CB-O 3.5Å; A980-V991 HydrophobicContact CB-CG2 4.23Å; A980-V991 PolarHBondContact N-O 2.69Å; A980-V991 PolarHBondContact O-N 3Å; I982-V991 HydrophobicContact CD1-CB 4.38Å; I982-V991 HydrophobicContact CD1-CG1 3.77Å; I982-V991 HydrophobicContact CD1-CG2 3.65Å; I982-V991 HydrophobicContact CG1-CG2 4.16Å; V991-D993 PolarHBondContact O-N 3.21Å
992	S	63.5	Low	66.9	Low	46 Å²	46	60.7 Å²	60.7	32%	0.322	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	130.3	169.6	-174.1	0	0	0	0	109.5	E994	S992-E994 VanDerWaalsContact C-N 3.28Å; S992-E994 PolarHBondContact OG-N 2.81Å
993	D	63.4	Low	66.3	Low	83 Å²	83	69 Å²	69	44%	0.444	36%	0.356	S	S	.	.			trans	-82.3	-13.8	176.8	-154.4	28	0	0	0	112.2	S978 A980 V991 T995 K1001	S978-D993 PolarHBondContact O-N 3Å; A980-D993 HydrophobicContact CB-CB 3.87Å; V991-D993 PolarHBondContact O-N 3.21Å; D993-T995 PolarHBondContact O-N 3.01Å; D993-K1001 IonicContact OD1-NZ 3.88Å; D993-K1001 PolarHBondContact OD1-NZ 2.8Å; D993-K1001 VanDerWaalsContact OD1-NZ 3.07Å
994	E	61.2	Low	65.3	Low	120 Å²	120	71.6 Å²	71.6	56%	0.561	37%	0.37	S	S	*	.			trans	-63	108.3	171.5	-63.8	-177.6	-165.4	0	0	110.5	P977 S992	P977-E994 HydrophobicContact CB-CG 4.36Å; P977-E994 WeakPolarHBondContact CB-OE1 3.38Å; S992-E994 VanDerWaalsContact C-N 3.28Å; S992-E994 PolarHBondContact OG-N 2.81Å
995	T	59.1	Low	64.9	Low	60 Å²	60	72.4 Å²	72.4	37%	0.368	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.4	127.4	165.1	55.8	0	0	0	0	108.9	D993 K1001	D993-T995 PolarHBondContact O-N 3.01Å; T995-K1001 HydrophobicContact CG2-CB 3.76Å; T995-K1001 HydrophobicContact CG2-CD 4.06Å
996	P	58.4	Low	64	Low	48 Å²	48	73.6 Å²	73.6	31%	0.312	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-53	142.9	179.4	-28.4	35.5	0	0	0	112	N998 Y999 Y1010	P996-N998 PolarHBondContact O-N 2.79Å; P996-Y999 HydrophobicContact CB-CD2 3.76Å; P996-Y999 HydrophobicContact CB-CE2 4.32Å; P996-Y999 HydrophobicContact CB-CG 4.41Å; P996-Y999 WeakPolarHBondContact O-CB 3.34Å; P996-Y999 PolarHBondContact O-N 3.42Å; P996-Y1010 HydrophobicContact CG-CD1 4.47Å; P996-Y1010 HydrophobicContact CG-CE1 4.47Å
997	P	57.2	Low	63.1	Low	113 Å²	113	73.1 Å²	73.1	73%	0.734	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	133.8	179	-29	35.7	0	0	0	111.6	Y999	P997-Y999 WeakPolarHBondContact O-CD2 3.39Å
998	N	63.5	Low	62.4	Low	84 Å²	84	73.2 Å²	73.2	45%	0.449	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	10	-174.9	-49.1	-33.7	0	0	0	117.1	P996 L1012 K1013 T1016	P996-N998 PolarHBondContact O-N 2.79Å; N998-L1012 HydrophobicContact CB-CD1 4.26Å; N998-L1012 CarbonylContact O-C 3.53Å; N998-L1012 WeakPolarHBondContact O-CA 3.4Å; N998-K1013 WeakPolarHBondContact O-CG 3.39Å; N998-K1013 PolarHBondContact O-N 3.02Å; N998-T1016 HydrophobicContact CB-CG2 3.94Å
999	Y	62.8	Low	61.6	Low	39 Å²	39	73 Å²	73	15%	0.153	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	160.5	177.2	-71.4	-95.7	0	0	0	115	P996 P997 E1011 L1012 K1013 D1030 D1031	P996-Y999 HydrophobicContact CB-CD2 3.76Å; P996-Y999 HydrophobicContact CB-CE2 4.32Å; P996-Y999 HydrophobicContact CB-CG 4.41Å; P996-Y999 WeakPolarHBondContact O-CB 3.34Å; P996-Y999 PolarHBondContact O-N 3.42Å; P997-Y999 WeakPolarHBondContact O-CD2 3.39Å; Y999-E1011 CarbonylContact C-O 3.29Å; Y999-E1011 WeakPolarHBondContact CA-O 3.49Å; Y999-L1012 HydrophobicContact CD1-CD1 4.16Å; Y999-L1012 HydrophobicContact CD2-CD1 4.09Å; Y999-L1012 HydrophobicContact CE1-CD1 3.8Å; Y999-L1012 HydrophobicContact CE2-CD1 3.73Å; Y999-L1012 HydrophobicContact CG-CD1 4.32Å; Y999-K1013 WeakPolarHBondContact O-CE 3.05Å; Y999-D1030 HydrophobicContact CE1-CB 3.78Å; Y999-D1031 PolarHBondContact OH-N 3.27Å
1000	V	68.7	Low	61.1	Low	60 Å²	60	71.6 Å²	71.6	36%	0.364	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.1	169.5	-171.9	0	0	0	0	108.7	H1002 Y1010 E1011 K1013	V1000-H1002 WeakPolarHBondContact CG1-NE2 3.14Å; V1000-Y1010 CarbonylContact O-C 3.58Å; V1000-Y1010 WeakPolarHBondContact O-CA 3.28Å; V1000-E1011 PolarHBondContact N-O 2.82Å; V1000-E1011 PolarHBondContact O-N 2.83Å; V1000-K1013 HydrophobicContact CG2-CG 3.59Å
1001	K	65.8	Low	60.4	Low	58 Å²	58	72.5 Å²	72.5	25%	0.252	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	110.4	-178.5	178.7	176.3	174.4	-177.2	0	109.6	D993 T995 F1008 Y1010	D993-K1001 IonicContact OD1-NZ 3.88Å; D993-K1001 PolarHBondContact OD1-NZ 2.8Å; D993-K1001 VanDerWaalsContact OD1-NZ 3.07Å; T995-K1001 HydrophobicContact CG2-CB 3.76Å; T995-K1001 HydrophobicContact CG2-CD 4.06Å; K1001-F1008 HydrophobicContact CD-CD1 4.38Å; K1001-F1008 HydrophobicContact CG-CB 4.41Å; K1001-F1008 HydrophobicContact CG-CD1 3.88Å; K1001-F1008 HydrophobicContact CG-CG 4.37Å; K1001-Y1010 HydrophobicContact CB-CD1 4.48Å; K1001-Y1010 HydrophobicContact CB-CE1 4.33Å; K1001-Y1010 HydrophobicContact CD-CE1 4.44Å; K1001-Y1010 HydrophobicContact CG-CE1 4.35Å
1002	H	66.1	Low	59.8	Low	83 Å²	83	72.4 Å²	72.4	38%	0.384	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.8	176.9	-66.6	-95.8	0	0	0	110.2	V1000 F1008 R1009	V1000-H1002 WeakPolarHBondContact CG1-NE2 3.14Å; H1002-F1008 CarbonylContact O-C 3.38Å; H1002-F1008 VanDerWaalsContact O-CA 3.29Å; H1002-F1008 WeakPolarHBondContact O-CA 3.34Å; H1002-R1009 PolarHBondContact N-O 3.47Å; H1002-R1009 PolarHBondContact O-N 2.95Å
1003	R	61.6	Low	59.9	Low	204 Å²	204	74.3 Å²	74.3	77%	0.77	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.4	174.6	-168.2	177.3	-177.7	170.7	5.6	110.4	G1005 F1008	R1003-G1005 PolarHBondContact NE-O 3.48Å; R1003-F1008 HydrophobicContact CG-CE1 4.43Å
1004	L	53.8	Low	59.9	Low	95 Å²	95	76 Å²	76	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	84.6	-174.8	-128.7	163.1	0	0	0	109.1	N1006 G1007 R1009	L1004-N1006 PolarHBondContact O-N 3.46Å; L1004-G1007 PolarHBondContact N-O 3.24Å; L1004-G1007 PolarHBondContact O-N 2.96Å; L1004-R1009 HydrophobicContact CD1-CB 3.79Å
1005	G	59.4	Low	60	Low	56 Å²	56	76.8 Å²	76.8	58%	0.577	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-121.6	-169.9	0	0	0	0	0	111.4	R1003 G1007	R1003-G1005 PolarHBondContact NE-O 3.48Å; G1005-G1007 VanDerWaalsContact C-N 3.28Å
1006	N	48.4	Very low	60	Low	127 Å²	127	76.2 Å²	76.2	68%	0.679	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.9	177.3	-60.2	3.5	0	0	0	112.6	L1004	L1004-N1006 PolarHBondContact O-N 3.46Å
1007	G	50.3	Low	59.8	Low	1 Å²	1	77.1 Å²	77.1	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-171	-176.1	0	0	0	0	0	115	L1004 G1005	L1004-G1007 PolarHBondContact N-O 3.24Å; L1004-G1007 PolarHBondContact O-N 2.96Å; G1005-G1007 VanDerWaalsContact C-N 3.28Å
1008	F	56.9	Low	59.6	Low	53 Å²	53	74 Å²	74	23%	0.232	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.8	175.3	-57.1	-85	0	0	0	111.1	I982 K1001 H1002 R1003 Y1010 F1033	I982-F1008 HydrophobicContact CD1-CE2 3.77Å; I982-F1008 HydrophobicContact CG1-CE2 4.44Å; K1001-F1008 HydrophobicContact CD-CD1 4.38Å; K1001-F1008 HydrophobicContact CG-CB 4.41Å; K1001-F1008 HydrophobicContact CG-CD1 3.88Å; K1001-F1008 HydrophobicContact CG-CG 4.37Å; H1002-F1008 CarbonylContact O-C 3.38Å; H1002-F1008 VanDerWaalsContact O-CA 3.29Å; H1002-F1008 WeakPolarHBondContact O-CA 3.34Å; R1003-F1008 HydrophobicContact CG-CE1 4.43Å; F1008-Y1010 HydrophobicContact CB-CE2 4.4Å; F1008-F1033 CarbonylContact O-C 3.6Å
1009	R	60.2	Low	58.8	Low	79 Å²	79	74.4 Å²	74.4	30%	0.298	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.4	163.9	177.9	-167.1	-73.2	179.3	-2.5	108.4	H1002 L1004 E1011 L1032	H1002-R1009 PolarHBondContact N-O 3.47Å; H1002-R1009 PolarHBondContact O-N 2.95Å; L1004-R1009 HydrophobicContact CD1-CB 3.79Å; R1009-E1011 WeakPolarHBondContact CD-OE1 3.3Å; R1009-E1011 HydrophobicContact CG-CG 4.05Å; R1009-E1011 IonicContact CZ-OE1 2.81Å; R1009-E1011 IonicContact NE-OE1 2.64Å; R1009-E1011 IonicContact NH1-OE1 3.02Å; R1009-E1011 PolarHBondContact NH1-OE1 2.82Å; R1009-L1032 HydrophobicContact CG-CD1 3.93Å; R1009-L1032 HydrophobicContact CG-CG 4.42Å
1010	Y	61	Low	58.1	Low	28 Å²	28	80.2 Å²	80.2	11%	0.11	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.2	168.5	-62.9	-103.6	0	0	0	108.7	P996 V1000 K1001 F1008 L1032 F1033	P996-Y1010 HydrophobicContact CG-CD1 4.47Å; P996-Y1010 HydrophobicContact CG-CE1 4.47Å; V1000-Y1010 CarbonylContact O-C 3.58Å; V1000-Y1010 WeakPolarHBondContact O-CA 3.28Å; K1001-Y1010 HydrophobicContact CB-CD1 4.48Å; K1001-Y1010 HydrophobicContact CB-CE1 4.33Å; K1001-Y1010 HydrophobicContact CD-CE1 4.44Å; K1001-Y1010 HydrophobicContact CG-CE1 4.35Å; F1008-Y1010 HydrophobicContact CB-CE2 4.4Å; Y1010-L1032 VanDerWaalsContact O-CD1 3.22Å; Y1010-L1032 WeakPolarHBondContact O-CD1 3.24Å; Y1010-F1033 HydrophobicContact CD2-CB 3.91Å; Y1010-F1033 AromaticContact CD2-CD2 3.59Å; Y1010-F1033 HydrophobicContact CD2-CD2 3.59Å; Y1010-F1033 HydrophobicContact CD2-CG 4.14Å; Y1010-F1033 HydrophobicContact CE2-CB 3.93Å; Y1010-F1033 AromaticContact CE2-CD2 3.78Å; Y1010-F1033 HydrophobicContact CE2-CD2 3.78Å; Y1010-F1033 HydrophobicContact CE2-CG 4.09Å; Y1010-F1033 HydrophobicContact CG-CD2 4.34Å
1011	E	59.1	Low	56.8	Low	61 Å²	61	86 Å²	86	29%	0.285	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138	174.5	-61.4	-166.8	-176.4	0	0	109.6	Y999 V1000 R1009	Y999-E1011 CarbonylContact C-O 3.29Å; Y999-E1011 WeakPolarHBondContact CA-O 3.49Å; V1000-E1011 PolarHBondContact N-O 2.82Å; V1000-E1011 PolarHBondContact O-N 2.83Å; R1009-E1011 WeakPolarHBondContact CD-OE1 3.3Å; R1009-E1011 HydrophobicContact CG-CG 4.05Å; R1009-E1011 IonicContact CZ-OE1 2.81Å; R1009-E1011 IonicContact NE-OE1 2.64Å; R1009-E1011 IonicContact NH1-OE1 3.02Å; R1009-E1011 PolarHBondContact NH1-OE1 2.82Å
1012	L	56	Low	55.7	Low	22 Å²	22	86.6 Å²	86.6	12%	0.115	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	141.9	178	-144.5	72.2	0	0	0	112.1	N998 Y999 T1016 K1017 Q1027 D1030	N998-L1012 HydrophobicContact CB-CD1 4.26Å; N998-L1012 CarbonylContact O-C 3.53Å; N998-L1012 WeakPolarHBondContact O-CA 3.4Å; Y999-L1012 HydrophobicContact CD1-CD1 4.16Å; Y999-L1012 HydrophobicContact CD2-CD1 4.09Å; Y999-L1012 HydrophobicContact CE1-CD1 3.8Å; Y999-L1012 HydrophobicContact CE2-CD1 3.73Å; Y999-L1012 HydrophobicContact CG-CD1 4.32Å; L1012-T1016 VanDerWaalsContact CD2-O 3.28Å; L1012-T1016 WeakPolarHBondContact CD2-O 3.49Å; L1012-K1017 WeakPolarHBondContact O-CE 3.29Å; L1012-K1017 PolarHBondContact O-NZ 3.3Å; L1012-Q1027 HydrophobicContact CD2-CG 4.44Å; L1012-D1030 PolarHBondContact N-OD2 2.87Å
1013	K	66.1	Low	54.4	Low	87 Å²	87	90.9 Å²	90.9	38%	0.378	49%	0.485	S	S	.	.			trans	-64.6	142.1	174	-67	177	-172	-173.7	0	110.1	N998 Y999 V1000 N1015 T1016 K1017	N998-K1013 WeakPolarHBondContact O-CG 3.39Å; N998-K1013 PolarHBondContact O-N 3.02Å; Y999-K1013 WeakPolarHBondContact O-CE 3.05Å; V1000-K1013 HydrophobicContact CG2-CG 3.59Å; K1013-N1015 VanDerWaalsContact C-N 3.29Å; K1013-N1015 VanDerWaalsContact CB-OD1 3.23Å; K1013-N1015 WeakPolarHBondContact CB-OD1 3.16Å; K1013-N1015 PolarHBondContact O-N 3.44Å; K1013-T1016 WeakPolarHBondContact O-CA 3.35Å; K1013-T1016 PolarHBondContact O-N 2.89Å; K1013-T1016 PolarHBondContact O-OG1 3.03Å; K1013-K1017 PolarHBondContact O-N 3.47Å
1014	D	63.1	Low	53.7	Low	119 Å²	119	90.9 Å²	90.9	64%	0.636	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-58.4	-37.8	-172.9	-65.7	-57.4	0	0	0	113.7	T1016 K1017	D1014-T1016 PolarHBondContact O-N 2.89Å; D1014-T1016 VanDerWaalsContact O-N 3.07Å; D1014-K1017 PolarHBondContact O-N 2.81Å; D1014-K1017 VanDerWaalsContact O-N 3.1Å; D1014-K1017 WeakPolarHBondContact OD1-CE 3.47Å; D1014-K1017 IonicContact OD1-NZ 3.2Å; D1014-K1017 PolarHBondContact OD1-NZ 2.58Å
1015	N	62.2	Low	53.5	Low	136 Å²	136	90.1 Å²	90.1	73%	0.727	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-65.6	-7.3	175.7	68	-31.2	0	0	0	114.5	K1013	K1013-N1015 VanDerWaalsContact C-N 3.29Å; K1013-N1015 VanDerWaalsContact CB-OD1 3.23Å; K1013-N1015 WeakPolarHBondContact CB-OD1 3.16Å; K1013-N1015 PolarHBondContact O-N 3.44Å
1016	T	60	Low	53.1	Low	47 Å²	47	89.5 Å²	89.5	29%	0.288	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-114.8	3.3	175.9	45.1	0	0	0	0	113.7	N998 L1012 K1013 D1014	N998-T1016 HydrophobicContact CB-CG2 3.94Å; L1012-T1016 VanDerWaalsContact CD2-O 3.28Å; L1012-T1016 WeakPolarHBondContact CD2-O 3.49Å; K1013-T1016 WeakPolarHBondContact O-CA 3.35Å; K1013-T1016 PolarHBondContact O-N 2.89Å; K1013-T1016 PolarHBondContact O-OG1 3.03Å; D1014-T1016 PolarHBondContact O-N 2.89Å; D1014-T1016 VanDerWaalsContact O-N 3.07Å
1017	K	54.2	Low	53.2	Low	68 Å²	68	86.3 Å²	86.3	30%	0.296	46%	0.457	S	S	.	.	S	Bend	trans	-77.9	143.2	170.6	-61.3	178.1	-172.9	166.5	0	109.9	L1012 K1013 D1014 S1019	L1012-K1017 WeakPolarHBondContact O-CE 3.29Å; L1012-K1017 PolarHBondContact O-NZ 3.3Å; K1013-K1017 PolarHBondContact O-N 3.47Å; D1014-K1017 PolarHBondContact O-N 2.81Å; D1014-K1017 VanDerWaalsContact O-N 3.1Å; D1014-K1017 WeakPolarHBondContact OD1-CE 3.47Å; D1014-K1017 IonicContact OD1-NZ 3.2Å; D1014-K1017 PolarHBondContact OD1-NZ 2.58Å; K1017-S1019 WeakPolarHBondContact O-CB 3.18Å; K1017-S1019 PolarHBondContact O-N 2.81Å; K1017-S1019 PolarHBondContact O-OG 3.35Å
1018	C	53.2	Low	53.2	Low	47 Å²	47	96.6 Å²	96.6	32%	0.318	50%	0.495	S	S	.	.			trans	-58.5	98	-174.6	-82.3	0	0	0	0	112	C1025 Q1027	C1018-C1025 HydrophobicContact CB-CB 3.83Å; C1018-C1025 WeakPolarHBondContact CB-SG 3.47Å; C1018-C1025 WeakPolarHBondContact SG-CB 3.11Å; C1018-C1025 PolarHBondContact SG-O 3.1Å; C1018-C1025 CovalentContact SG-SG 2.04Å; C1018-C1025 PolarHBondContact SG-SG 3.16Å; C1018-Q1027 HydrophobicContact CB-CB 4.45Å
1019	S	46.8	Very low	52.9	Low	93 Å²	93	96.5 Å²	96.5	65%	0.65	50%	0.496	S	S	*	.			trans	-118.6	62.9	-169.7	-59.9	0	0	0	0	112.6	K1017	K1017-S1019 WeakPolarHBondContact O-CB 3.18Å; K1017-S1019 PolarHBondContact O-N 2.81Å; K1017-S1019 PolarHBondContact O-OG 3.35Å
1020	N	46.9	Very low	52.6	Low	160 Å²	160	94 Å²	94	86%	0.856	49%	0.489	S	S	*	.			trans	-175.1	150.2	148.3	-98.7	-39.3	0	0	0	112.1	G1022	N1020-G1022 PolarHBondContact O-N 3.46Å
1021	I	41.4	Very low	52.4	Low	182 Å²	182	95.5 Å²	95.5	93%	0.933	50%	0.498	S	S	*	.	S	Bend	trans	-85.9	107.5	177.6	-59	169.2	0	0	0	108.2
1022	G	42.3	Very low	52.6	Low	71 Å²	71	93.7 Å²	93.7	73%	0.732	49%	0.491	S	S	*	.	S	Bend	trans	-169.1	-79.7	-178.5	0	0	0	0	0	112.9	N1020	N1020-G1022 PolarHBondContact O-N 3.46Å
1023	E	40.2	Very low	52.9	Low	172 Å²	172	95.3 Å²	95.3	80%	0.804	50%	0.497	S	S	*	.	S	Bend	trans	-132.3	134.4	-171.9	-60.7	-165.4	123.7	0	0	113.5	C1025	E1023-C1025 PolarHBondContact O-N 3.08Å
1024	K	47.3	Very low	52.9	Low	205 Å²	205	92.4 Å²	92.4	89%	0.891	49%	0.485	S	S	*	.			trans	47.8	5.1	153	-65.9	-177.5	179.2	173.9	0	120.7	I1026	K1024-I1026 VanDerWaalsContact C-N 3.27Å; K1024-I1026 PolarHBondContact O-N 3.03Å
1025	C	49	Very low	52.9	Low	79 Å²	79	88 Å²	88	53%	0.534	46%	0.461	S	S	.	.			trans	-76.3	72	-179.2	-146.1	0	0	0	0	111.8	C1018 E1023 Q1027	C1018-C1025 HydrophobicContact CB-CB 3.83Å; C1018-C1025 WeakPolarHBondContact CB-SG 3.47Å; C1018-C1025 WeakPolarHBondContact SG-CB 3.11Å; C1018-C1025 PolarHBondContact SG-O 3.1Å; C1018-C1025 CovalentContact SG-SG 2.04Å; C1018-C1025 PolarHBondContact SG-SG 3.16Å; E1023-C1025 PolarHBondContact O-N 3.08Å; C1025-Q1027 PolarHBondContact O-N 2.93Å
1026	I	50.1	Low	53.2	Low	42 Å²	42	82.3 Å²	82.3	22%	0.215	43%	0.43	C	S	.	.			trans	-73	109	148.5	-26.2	162.4	0	0	0	104.9	K1024 R1028 A1125 H1126 A1127	K1024-I1026 VanDerWaalsContact C-N 3.27Å; K1024-I1026 PolarHBondContact O-N 3.03Å; I1026-R1028 PolarHBondContact O-N 2.84Å; I1026-A1125 HydrophobicContact CD1-CB 3.27Å; I1026-A1125 HydrophobicContact CG1-CB 3.61Å; I1026-H1126 VanDerWaalsContact CD1-C 3.41Å; I1026-H1126 VanDerWaalsContact CD1-O 3.24Å; I1026-H1126 WeakPolarHBondContact CD1-O 3.15Å; I1026-A1127 HydrophobicContact CB-CB 4.14Å; I1026-A1127 HydrophobicContact CD1-CB 4.15Å; I1026-A1127 HydrophobicContact CG2-CB 3.59Å
1027	Q	50.4	Low	53.4	Low	60 Å²	60	83.1 Å²	83.1	28%	0.28	43%	0.433	S	S	.	.			trans	-54.9	130.3	170.7	-154.5	165.7	-46.7	0	0	107.6	L1012 C1018 C1025 M1029	L1012-Q1027 HydrophobicContact CD2-CG 4.44Å; C1018-Q1027 HydrophobicContact CB-CB 4.45Å; C1025-Q1027 PolarHBondContact O-N 2.93Å; Q1027-M1029 VanDerWaalsContact C-N 3.34Å; Q1027-M1029 PolarHBondContact O-N 3Å
1028	R	50.1	Low	54	Low	218 Å²	218	80.8 Å²	80.8	82%	0.823	42%	0.423	S	S	*	.			trans	-55.6	109.1	163.7	-105.9	-170.5	179	178.8	0.6	105	I1026 D1030	I1026-R1028 PolarHBondContact O-N 2.84Å; R1028-D1030 PolarHBondContact O-N 2.99Å
1029	M	51.9	Low	54.6	Low	51 Å²	51	82 Å²	82	25%	0.251	43%	0.426	S	S	.	.			trans	-68	128.4	-179.7	-68.7	-155.6	76.9	0	0	106.9	Q1027 I1049 V1115 T1129	Q1027-M1029 VanDerWaalsContact C-N 3.34Å; Q1027-M1029 PolarHBondContact O-N 3Å; M1029-I1049 HydrophobicContact CE-CB 4.12Å; M1029-I1049 HydrophobicContact CE-CG1 3.92Å; M1029-I1049 HydrophobicContact CE-CG2 3.83Å; M1029-I1049 HydrophobicContact SD-CG1 4.28Å; M1029-I1049 HydrophobicContact SD-CG2 3.77Å; M1029-V1115 HydrophobicContact SD-CG2 4.09Å; M1029-T1129 VanDerWaalsContact CB-CB 3.5Å; M1029-T1129 HydrophobicContact CB-CG2 3.8Å; M1029-T1129 VanDerWaalsContact O-CA 3.28Å; M1029-T1129 WeakPolarHBondContact O-CA 3.26Å; M1029-T1129 WeakPolarHBondContact O-CB 3.28Å; M1029-T1129 PolarHBondContact O-OG1 2.9Å
1030	D	53.7	Low	55.4	Low	27 Å²	27	78.7 Å²	78.7	14%	0.144	40%	0.404	C	S	.	.			trans	-49.3	146.4	-162.4	-68	11.1	0	0	0	114.6	Y999 L1012 R1028 L1032 T1129	Y999-D1030 HydrophobicContact CE1-CB 3.78Å; L1012-D1030 PolarHBondContact N-OD2 2.87Å; R1028-D1030 PolarHBondContact O-N 2.99Å; D1030-L1032 VanDerWaalsContact C-N 3.34Å; D1030-L1032 PolarHBondContact O-N 2.76Å; D1030-T1129 PolarHBondContact O-OG1 3.06Å
1031	D	57.4	Low	56.3	Low	58 Å²	58	78.7 Å²	78.7	31%	0.31	40%	0.399	S	S	.	.			trans	-74.8	89.3	167.4	-97	38.6	0	0	0	107.5	Y999 F1033 K1130 Y1132	Y999-D1031 PolarHBondContact OH-N 3.27Å; D1031-F1033 WeakPolarHBondContact O-CD2 3.25Å; D1031-K1130 CarbonylContact C-O 3.4Å; D1031-K1130 WeakPolarHBondContact CA-O 3.47Å; D1031-Y1132 HydrophobicContact CB-CE2 4.03Å; D1031-Y1132 VanDerWaalsContact OD2-CE2 3.25Å; D1031-Y1132 WeakPolarHBondContact OD2-CE2 3.38Å; D1031-Y1132 PolarHBondContact OD2-OH 3.03Å
1032	L	61.7	Low	57.5	Low	23 Å²	23	71.9 Å²	71.9	12%	0.12	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.1	-167.4	-155.5	85.3	0	0	0	111	R1009 Y1010 D1030 I1034 A1047 K1130 L1131 Y1132	R1009-L1032 HydrophobicContact CG-CD1 3.93Å; R1009-L1032 HydrophobicContact CG-CG 4.42Å; Y1010-L1032 VanDerWaalsContact O-CD1 3.22Å; Y1010-L1032 WeakPolarHBondContact O-CD1 3.24Å; D1030-L1032 VanDerWaalsContact C-N 3.34Å; D1030-L1032 PolarHBondContact O-N 2.76Å; L1032-I1034 HydrophobicContact CD2-CD1 4.29Å; L1032-I1034 HydrophobicContact CD2-CG1 4.44Å; L1032-A1047 HydrophobicContact CD2-CB 3.9Å; L1032-K1130 PolarHBondContact N-O 3.22Å; L1032-L1131 HydrophobicContact CB-CD1 3.91Å; L1032-L1131 HydrophobicContact CD2-CD1 3.77Å; L1032-L1131 HydrophobicContact CG-CD1 4.3Å; L1032-L1131 CarbonylContact O-C 3.53Å; L1032-L1131 WeakPolarHBondContact O-CA 3.43Å; L1032-Y1132 PolarHBondContact O-N 2.85Å
1033	F	63	Low	59.1	Low	57 Å²	57	72 Å²	72	25%	0.25	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	144.1	171.2	-60	-92.6	0	0	0	110.8	F1008 Y1010 D1031 Y1132 F1134	F1008-F1033 CarbonylContact O-C 3.6Å; Y1010-F1033 HydrophobicContact CD2-CB 3.91Å; Y1010-F1033 AromaticContact CD2-CD2 3.59Å; Y1010-F1033 HydrophobicContact CD2-CD2 3.59Å; Y1010-F1033 HydrophobicContact CD2-CG 4.14Å; Y1010-F1033 HydrophobicContact CE2-CB 3.93Å; Y1010-F1033 AromaticContact CE2-CD2 3.78Å; Y1010-F1033 HydrophobicContact CE2-CD2 3.78Å; Y1010-F1033 HydrophobicContact CE2-CG 4.09Å; Y1010-F1033 HydrophobicContact CG-CD2 4.34Å; D1031-F1033 WeakPolarHBondContact O-CD2 3.25Å; F1033-Y1132 CarbonylContact C-O 3.58Å; F1033-Y1132 WeakPolarHBondContact CA-O 3.17Å; F1033-Y1132 AromaticContact CD1-CD2 3.93Å; F1033-Y1132 HydrophobicContact CD1-CD2 3.93Å; F1033-Y1132 AromaticContact CD1-CG 3.87Å; F1033-Y1132 HydrophobicContact CD1-CG 3.87Å; F1033-Y1132 HydrophobicContact CE1-CD1 4.18Å; F1033-Y1132 AromaticContact CE1-CD2 3.57Å; F1033-Y1132 HydrophobicContact CE1-CD2 3.57Å; F1033-Y1132 HydrophobicContact CE1-CE2 4.12Å; F1033-Y1132 AromaticContact CE1-CG 3.61Å; F1033-Y1132 HydrophobicContact CE1-CG 3.61Å; F1033-Y1132 HydrophobicContact CE2-CD2 4.3Å; F1033-Y1132 HydrophobicContact CG-CD2 4.44Å; F1033-Y1132 AromaticContact CZ-CD2 3.78Å; F1033-Y1132 HydrophobicContact CZ-CD2 3.78Å; F1033-Y1132 AromaticContact CZ-CE2 3.94Å; F1033-Y1132 HydrophobicContact CZ-CE2 3.94Å; F1033-Y1132 HydrophobicContact CZ-CG 4.27Å; F1033-F1134 AromaticContact CD1-CE2 3.95Å; F1033-F1134 HydrophobicContact CD1-CE2 3.95Å; F1033-F1134 HydrophobicContact CD1-CZ 4.42Å
1034	I	67.3	Low	60.9	Low	25 Å²	25	66.6 Å²	66.6	13%	0.128	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.8	173.8	-60.8	-173.9	0	0	0	108.6	L1032 L1036 L1046 L1131 Y1132 L1133 F1134	L1032-I1034 HydrophobicContact CD2-CD1 4.29Å; L1032-I1034 HydrophobicContact CD2-CG1 4.44Å; I1034-L1036 HydrophobicContact CG2-CD2 3.74Å; I1034-L1036 HydrophobicContact CG2-CG 4.06Å; I1034-L1046 HydrophobicContact CD1-CB 3.81Å; I1034-L1046 HydrophobicContact CD1-CD2 4.27Å; I1034-L1046 VanDerWaalsContact CD1-O 3.26Å; I1034-L1046 WeakPolarHBondContact CD1-O 3.42Å; I1034-L1131 HydrophobicContact CD1-CD1 3.69Å; I1034-L1131 HydrophobicContact CG1-CD1 4.03Å; I1034-Y1132 PolarHBondContact N-O 3.49Å; I1034-L1133 HydrophobicContact CB-CD1 3.97Å; I1034-L1133 HydrophobicContact CB-CG 4.35Å; I1034-L1133 HydrophobicContact CD1-CD1 4.29Å; I1034-L1133 HydrophobicContact CG1-CD1 4.45Å; I1034-L1133 HydrophobicContact CG2-CD1 4.48Å; I1034-L1133 CarbonylContact O-C 3.56Å; I1034-L1133 WeakPolarHBondContact O-CA 3.49Å; I1034-F1134 PolarHBondContact O-N 3.33Å
1035	E	62.8	Low	62.4	Low	28 Å²	28	59.7 Å²	59.7	13%	0.131	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.6	171.3	-167.3	152.1	-166.2	0	0	109.3	R989 F1134 T1136	R989-E1035 IonicContact CZ-OE1 3.48Å; R989-E1035 IonicContact CZ-OE2 3.74Å; R989-E1035 IonicContact NH1-OE1 3.9Å; R989-E1035 PolarHBondContact NH1-OE1 3.07Å; R989-E1035 IonicContact NH1-OE2 2.72Å; R989-E1035 PolarHBondContact NH1-OE2 3.48Å; E1035-F1134 CarbonylContact C-O 3.51Å; E1035-F1134 WeakPolarHBondContact CA-O 3.36Å; E1035-F1134 HydrophobicContact CB-CB 4.46Å; E1035-F1134 HydrophobicContact CG-CB 4.11Å; E1035-T1136 HydrophobicContact CG-CG2 4.4Å
1036	L	67.9	Low	63.6	Low	15 Å²	15	56.3 Å²	56.3	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.8	-175.2	-61.8	-175.2	0	0	0	109.6	I1034 A1040 L1046 L1099 L1133 F1134 V1135 T1136	I1034-L1036 HydrophobicContact CG2-CD2 3.74Å; I1034-L1036 HydrophobicContact CG2-CG 4.06Å; L1036-A1040 HydrophobicContact CB-CB 4.45Å; L1036-L1046 HydrophobicContact CD1-CD2 4.17Å; L1036-L1046 HydrophobicContact CD2-CD2 4.41Å; L1036-L1099 HydrophobicContact CD1-CD2 4.12Å; L1036-L1133 HydrophobicContact CD1-CD2 3.61Å; L1036-L1133 HydrophobicContact CD1-CG 4.13Å; L1036-L1133 HydrophobicContact CG-CD2 4.49Å; L1036-F1134 PolarHBondContact N-O 2.76Å; L1036-V1135 CarbonylContact O-C 3.5Å; L1036-V1135 VanDerWaalsContact O-CA 3.29Å; L1036-V1135 WeakPolarHBondContact O-CA 2.88Å; L1036-T1136 PolarHBondContact O-N 3.48Å; L1036-T1136 PolarHBondContact O-OG1 2.86Å
1037	D	64	Low	64.7	Low	64 Å²	64	55.1 Å²	55.1	34%	0.342	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	145.3	159.7	-162	-52.6	0	0	0	109.3	D1039 A1040	D1037-D1039 PolarHBondContact O-N 2.88Å; D1037-D1039 PolarHBondContact OD1-N 2.71Å; D1037-A1040 HydrophobicContact CB-CB 4.29Å; D1037-A1040 WeakPolarHBondContact O-CB 3.26Å; D1037-A1040 PolarHBondContact O-N 3Å
1038	Q	66.9	Low	65.9	Low	19 Å²	19	57.7 Å²	57.7	9%	0.089	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.8	167.5	-179.9	172.9	14.1	0	0	112.2	K1102 A1105 V1135 T1136 E1141	Q1038-K1102 VanDerWaalsContact O-CD 3.3Å; Q1038-K1102 WeakPolarHBondContact O-CD 3.03Å; Q1038-K1102 WeakPolarHBondContact O-CG 3.49Å; Q1038-A1105 HydrophobicContact CB-CB 3.96Å; Q1038-A1105 HydrophobicContact CG-CB 4.22Å; Q1038-V1135 HydrophobicContact CB-CG1 4.46Å; Q1038-T1136 WeakPolarHBondContact CB-O 2.97Å; Q1038-T1136 PolarHBondContact N-O 2.89Å; Q1038-E1141 PolarHBondContact NE2-OE1 2.8Å; Q1038-E1141 PolarHBondContact NE2-OE2 3.07Å; Q1038-E1141 PolarHBondContact OE1-OE2 2.86Å
1039	D	64.9	Low	67.1	Low	73 Å²	73	47.6 Å²	47.6	39%	0.39	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.9	175.9	-82	-53.6	0	0	0	114.7	D1037 H1041 K1102 S1138	D1037-D1039 PolarHBondContact O-N 2.88Å; D1037-D1039 PolarHBondContact OD1-N 2.71Å; D1039-H1041 PolarHBondContact O-N 3.49Å; D1039-K1102 WeakPolarHBondContact O-CE 3.38Å; D1039-K1102 IonicContact OD1-NZ 3.13Å; D1039-K1102 PolarHBondContact OD1-NZ 3.2Å; D1039-S1138 WeakPolarHBondContact OD2-CB 3.37Å; D1039-S1138 PolarHBondContact OD2-OG 2.93Å
1040	A	64.6	Low	68.1	Low	23 Å²	23	48.2 Å²	48.2	19%	0.19	25%	0.254	C	S	.	.			trans	-55.4	137.1	176.3	0	0	0	0	0	112	L1036 D1037 A1042	L1036-A1040 HydrophobicContact CB-CB 4.45Å; D1037-A1040 HydrophobicContact CB-CB 4.29Å; D1037-A1040 WeakPolarHBondContact O-CB 3.26Å; D1037-A1040 PolarHBondContact O-N 3Å; A1040-A1042 PolarHBondContact O-N 2.78Å
1041	H	66.5	Low	69	Low	161 Å²	161	48.7 Å²	48.7	75%	0.745	26%	0.258	S	S	*	.			trans	-69.2	134.3	-170.6	-63.4	-7	0	0	0	112.3	D1039 Q1044	D1039-H1041 PolarHBondContact O-N 3.49Å; H1041-Q1044 WeakPolarHBondContact O-CB 3.32Å; H1041-Q1044 VanDerWaalsContact O-CD 3.28Å; H1041-Q1044 WeakPolarHBondContact O-CG 3.45Å; H1041-Q1044 PolarHBondContact O-NE2 2.97Å
1042	A	66.7	Low	69.5	Low	38 Å²	38	53.1 Å²	53.1	31%	0.314	28%	0.275	S	S	.	.	S	Bend	trans	-118.2	141.1	169	0	0	0	0	0	109.4	A1040 L1099	A1040-A1042 PolarHBondContact O-N 2.78Å; A1042-L1099 HydrophobicContact CB-CD2 4.13Å; A1042-L1099 HydrophobicContact CB-CG 4.28Å
1043	P	75.2	Confident	69.7	Low	73 Å²	73	55.6 Å²	55.6	47%	0.474	31%	0.306	S	S	.	.	S	Bend	cis	-93.6	112.6	10.3	34.1	-33.5	0	0	0	114.8	R1098 L1099	P1043-R1098 PolarHBondContact O-NE 2.94Å; P1043-R1098 PolarHBondContact O-NH2 3.32Å; P1043-L1099 CarbonylContact C-O 3.53Å; P1043-L1099 WeakPolarHBondContact CA-O 3.46Å; P1043-L1099 VanDerWaalsContact CB-O 3.27Å; P1043-L1099 WeakPolarHBondContact CB-O 3.29Å
1044	Q	77.9	Confident	69.8	Low	59 Å²	59	54.9 Å²	54.9	28%	0.276	31%	0.305	S	S	.	.			trans	-101.7	159.9	175.9	59.4	179.1	-26.8	0	0	112.7	H1041 L1046 R1098 L1099	H1041-Q1044 WeakPolarHBondContact O-CB 3.32Å; H1041-Q1044 VanDerWaalsContact O-CD 3.28Å; H1041-Q1044 WeakPolarHBondContact O-CG 3.45Å; H1041-Q1044 PolarHBondContact O-NE2 2.97Å; Q1044-L1046 HydrophobicContact CG-CD2 4.44Å; Q1044-R1098 CarbonylContact O-C 3.35Å; Q1044-R1098 VanDerWaalsContact O-CA 3.28Å; Q1044-R1098 WeakPolarHBondContact O-CA 3.02Å; Q1044-L1099 HydrophobicContact CG-CB 3.91Å; Q1044-L1099 HydrophobicContact CG-CD2 4Å; Q1044-L1099 PolarHBondContact N-O 2.86Å; Q1044-L1099 PolarHBondContact O-N 3.3Å
1045	T	77.8	Confident	69.6	Low	61 Å²	61	56.9 Å²	56.9	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119	176	-67.7	0	0	0	0	109.7	E1096	T1045-E1096 HydrophobicContact CG2-CB 3.76Å; T1045-E1096 HydrophobicContact CG2-CG 3.66Å; T1045-E1096 WeakPolarHBondContact CG2-OE2 3.01Å; T1045-E1096 PolarHBondContact OG1-OE2 2.74Å
1046	L	75.2	Confident	69.6	Low	7 Å²	7	61.3 Å²	61.3	4%	0.037	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-50.2	-176.5	-60.3	172.6	0	0	0	111.1	I1034 L1036 Q1044 F1083 V1097 L1099 L1131 L1133	I1034-L1046 HydrophobicContact CD1-CB 3.81Å; I1034-L1046 HydrophobicContact CD1-CD2 4.27Å; I1034-L1046 VanDerWaalsContact CD1-O 3.26Å; I1034-L1046 WeakPolarHBondContact CD1-O 3.42Å; L1036-L1046 HydrophobicContact CD1-CD2 4.17Å; L1036-L1046 HydrophobicContact CD2-CD2 4.41Å; Q1044-L1046 HydrophobicContact CG-CD2 4.44Å; L1046-F1083 HydrophobicContact CD1-CD1 3.77Å; L1046-F1083 HydrophobicContact CD1-CE1 3.84Å; L1046-V1097 WeakPolarHBondContact CB-O 3.41Å; L1046-V1097 HydrophobicContact CD1-CG1 4.48Å; L1046-V1097 PolarHBondContact N-O 2.95Å; L1046-L1099 HydrophobicContact CD1-CB 4.12Å; L1046-L1099 HydrophobicContact CD2-CB 4.24Å; L1046-L1099 HydrophobicContact CG-CB 4.17Å; L1046-L1131 HydrophobicContact CB-CD2 4.19Å; L1046-L1131 HydrophobicContact CD1-CD2 4.27Å; L1046-L1133 HydrophobicContact CD1-CD1 4.18Å; L1046-L1133 HydrophobicContact CD1-CD2 3.92Å; L1046-L1133 HydrophobicContact CD2-CD2 4.27Å
1047	A	73	Confident	69.7	Low	17 Å²	17	62.5 Å²	62.5	14%	0.14	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.3	-178.2	0	0	0	0	0	111.3	L1032 E1096 V1097 L1131	L1032-A1047 HydrophobicContact CD2-CB 3.9Å; A1047-E1096 WeakPolarHBondContact O-CA 2.99Å; A1047-V1097 HydrophobicContact CB-CB 4.32Å; A1047-V1097 HydrophobicContact CB-CG2 4.37Å; A1047-V1097 PolarHBondContact N-O 3.32Å; A1047-V1097 PolarHBondContact O-N 3.47Å; A1047-L1131 HydrophobicContact CB-CD1 4.47Å
1048	R	76.1	Confident	70.2	Confident	115 Å²	115	63.5 Å²	63.5	43%	0.434	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.9	174.1	-165.3	-171.9	90.7	-137.4	-1.5	109.9	D1050 H1091 S1094 E1096	R1048-D1050 IonicContact NH2-OD2 2.68Å; R1048-D1050 PolarHBondContact NH2-OD2 2.86Å; R1048-H1091 VanDerWaalsContact CD-CD2 3.48Å; R1048-H1091 WeakPolarHBondContact CD-CD2 3.25Å; R1048-H1091 PolarHBondContact NH1-CD2 3.46Å; R1048-H1091 PolarHBondContact NH1-NE2 2.89Å; R1048-H1091 VanDerWaalsContact NH1-NE2 3.2Å; R1048-S1094 WeakPolarHBondContact CD-OG 3.16Å; R1048-E1096 HydrophobicContact CB-CG 4.46Å; R1048-E1096 HydrophobicContact CG-CG 4.05Å
1049	I	74.6	Confident	70.6	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107.6	179.4	-66.3	163.7	0	0	0	107.9	M1029 T1051 I1061 S1094 V1095 V1097 V1113	M1029-I1049 HydrophobicContact CE-CB 4.12Å; M1029-I1049 HydrophobicContact CE-CG1 3.92Å; M1029-I1049 HydrophobicContact CE-CG2 3.83Å; M1029-I1049 HydrophobicContact SD-CG1 4.28Å; M1029-I1049 HydrophobicContact SD-CG2 3.77Å; I1049-T1051 HydrophobicContact CG2-CG2 4.45Å; I1049-I1061 HydrophobicContact CB-CD1 4.29Å; I1049-I1061 HydrophobicContact CD1-CG2 3.92Å; I1049-I1061 HydrophobicContact CG2-CD1 3.58Å; I1049-S1094 CarbonylContact O-C 3.59Å; I1049-S1094 WeakPolarHBondContact O-CA 3.34Å; I1049-S1094 WeakPolarHBondContact O-CB 3.42Å; I1049-V1095 PolarHBondContact N-O 2.82Å; I1049-V1095 PolarHBondContact O-N 2.68Å; I1049-V1097 HydrophobicContact CD1-CG2 4.38Å; I1049-V1113 HydrophobicContact CD1-CB 4.42Å; I1049-V1113 HydrophobicContact CD1-CG1 3.86Å
1050	D	72.9	Confident	71.2	Confident	64 Å²	64	68.6 Å²	68.6	34%	0.342	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.7	174.2	-150.6	-57.6	0	0	0	110.5	R1048 K1052	R1048-D1050 IonicContact NH2-OD2 2.68Å; R1048-D1050 PolarHBondContact NH2-OD2 2.86Å; D1050-K1052 WeakPolarHBondContact OD1-CB 3.1Å; D1050-K1052 WeakPolarHBondContact OD1-CG 3.5Å; D1050-K1052 PolarHBondContact OD1-N 3.1Å
1051	T	72.8	Confident	71.8	Confident	37 Å²	37	69 Å²	69	23%	0.227	39%	0.389	C	S	.	.			trans	-109.2	-3.6	-177.2	65	0	0	0	0	113.1	I1049 G1053 L1054 I1061 G1093	I1049-T1051 HydrophobicContact CG2-CG2 4.45Å; T1051-G1053 VanDerWaalsContact C-N 3.28Å; T1051-G1053 PolarHBondContact O-N 2.92Å; T1051-L1054 HydrophobicContact CG2-CD1 4.14Å; T1051-L1054 WeakPolarHBondContact O-CB 3.14Å; T1051-L1054 PolarHBondContact O-N 2.74Å; T1051-I1061 HydrophobicContact CG2-CD1 3.8Å; T1051-G1093 WeakPolarHBondContact CA-O 3.38Å; T1051-G1093 PolarHBondContact N-O 3.34Å; T1051-G1093 PolarHBondContact OG1-O 2.96Å
1052	K	68.2	Low	72.3	Confident	150 Å²	150	64 Å²	64	65%	0.652	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.1	-176.5	-67.7	178.3	-175.2	176.3	0	114.3	D1050 L1054 I1092	D1050-K1052 WeakPolarHBondContact OD1-CB 3.1Å; D1050-K1052 WeakPolarHBondContact OD1-CG 3.5Å; D1050-K1052 PolarHBondContact OD1-N 3.1Å; K1052-L1054 VanDerWaalsContact C-N 3.33Å; K1052-I1092 WeakPolarHBondContact CE-O 2.84Å; K1052-I1092 PolarHBondContact NZ-O 3.23Å
1053	G	64.7	Low	72.6	Confident	76 Å²	76	62.8 Å²	62.8	78%	0.784	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	0.1	178.3	0	0	0	0	0	114.7	T1051	T1051-G1053 VanDerWaalsContact C-N 3.28Å; T1051-G1053 PolarHBondContact O-N 2.92Å
1054	L	65.4	Low	71.8	Confident	42 Å²	42	63.4 Å²	63.4	22%	0.22	36%	0.362	C	S	.	.	S	Bend	trans	-85.5	141.8	-173.3	-60.2	-177.2	0	0	0	111.8	T1051 K1052 V1059 V1115 I1117	T1051-L1054 HydrophobicContact CG2-CD1 4.14Å; T1051-L1054 WeakPolarHBondContact O-CB 3.14Å; T1051-L1054 PolarHBondContact O-N 2.74Å; K1052-L1054 VanDerWaalsContact C-N 3.33Å; L1054-V1059 HydrophobicContact CB-CG2 4.15Å; L1054-V1059 HydrophobicContact CD1-CB 4.43Å; L1054-V1059 HydrophobicContact CD1-CG1 3.69Å; L1054-V1059 HydrophobicContact CD1-CG2 3.82Å; L1054-V1115 HydrophobicContact CD1-CG1 4.22Å; L1054-I1117 HydrophobicContact CB-CD1 4.08Å; L1054-I1117 HydrophobicContact CD1-CD1 4.37Å; L1054-I1117 HydrophobicContact CD2-CD1 4.04Å; L1054-I1117 HydrophobicContact CG-CD1 4.38Å
1055	P	63.2	Low	70.7	Confident	67 Å²	67	67.2 Å²	67.2	44%	0.435	38%	0.378	S	S	.	.			trans	-61.7	151.2	-179.9	23.6	-34.3	0	0	0	113	G1057 I1117 I1124	P1055-G1057 PolarHBondContact O-N 2.65Å; P1055-G1057 VanDerWaalsContact O-N 3.08Å; P1055-I1117 HydrophobicContact CG-CD1 3.92Å; P1055-I1117 HydrophobicContact CG-CG2 4.45Å; P1055-I1124 HydrophobicContact CB-CD1 4.27Å; P1055-I1124 HydrophobicContact CG-CD1 4.2Å
1056	T	64	Low	69.5	Low	120 Å²	120	67.8 Å²	67.8	74%	0.736	38%	0.376	S	S	*	.	S	Bend	trans	-61.7	108.9	-171.8	47.4	0	0	0	0	113.3
1057	G	68.5	Low	68.6	Low	40 Å²	40	72.3 Å²	72.3	41%	0.412	39%	0.393	S	S	.	.	S	Bend	trans	178.9	-177.8	-179.2	0	0	0	0	0	112.1	P1055 V1059 S1118	P1055-G1057 PolarHBondContact O-N 2.65Å; P1055-G1057 VanDerWaalsContact O-N 3.08Å; G1057-V1059 PolarHBondContact O-N 3.3Å; G1057-S1118 CarbonylContact C-O 3.5Å; G1057-S1118 VanDerWaalsContact CA-O 3.24Å; G1057-S1118 WeakPolarHBondContact CA-O 3.49Å
1058	V	74.6	Confident	68	Low	85 Å²	85	71.5 Å²	71.5	52%	0.515	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	106.2	170	179.2	0	0	0	0	108.5	R1060 S1118	V1058-R1060 HydrophobicContact CG1-CG 4.32Å; V1058-S1118 PolarHBondContact N-O 2.74Å; V1058-S1118 PolarHBondContact O-N 2.84Å; V1058-S1118 PolarHBondContact O-OG 2.97Å
1059	V	76	Confident	67.4	Low	47 Å²	47	69.5 Å²	69.5	29%	0.285	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120	171	-178	0	0	0	0	109	L1054 G1057 I1061 V1115 I1117	L1054-V1059 HydrophobicContact CB-CG2 4.15Å; L1054-V1059 HydrophobicContact CD1-CB 4.43Å; L1054-V1059 HydrophobicContact CD1-CG1 3.69Å; L1054-V1059 HydrophobicContact CD1-CG2 3.82Å; G1057-V1059 PolarHBondContact O-N 3.3Å; V1059-I1061 HydrophobicContact CG1-CD1 4.48Å; V1059-I1061 HydrophobicContact CG1-CG1 4Å; V1059-V1115 HydrophobicContact CG1-CG1 4.08Å; V1059-I1117 HydrophobicContact CG2-CG1 4.42Å; V1059-I1117 HydrophobicContact CG2-CG2 4.11Å
1060	R	77.2	Confident	66.8	Low	153 Å²	153	71.9 Å²	71.9	58%	0.577	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.6	169	-66.9	-177.2	173.4	114.2	-6.5	108.4	V1058 T1116 S1118	V1058-R1060 HydrophobicContact CG1-CG 4.32Å; R1060-T1116 HydrophobicContact CB-CG2 4.47Å; R1060-T1116 PolarHBondContact N-O 3.14Å; R1060-T1116 PolarHBondContact O-N 3.26Å; R1060-S1118 PolarHBondContact NH1-OG 3.49Å
1061	I	77.7	Confident	66	Low	30 Å²	30	72 Å²	72	15%	0.154	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.9	169	-58.1	175.7	0	0	0	106.9	I1049 T1051 V1059 L1085 V1095 V1113 H1114 V1115	I1049-I1061 HydrophobicContact CB-CD1 4.29Å; I1049-I1061 HydrophobicContact CD1-CG2 3.92Å; I1049-I1061 HydrophobicContact CG2-CD1 3.58Å; T1051-I1061 HydrophobicContact CG2-CD1 3.8Å; V1059-I1061 HydrophobicContact CG1-CD1 4.48Å; V1059-I1061 HydrophobicContact CG1-CG1 4Å; I1061-L1085 HydrophobicContact CB-CD1 4.33Å; I1061-L1085 HydrophobicContact CG2-CD1 3.84Å; I1061-L1085 HydrophobicContact CG2-CD2 4.08Å; I1061-L1085 VanDerWaalsContact O-CD1 3.26Å; I1061-L1085 WeakPolarHBondContact O-CD1 3.25Å; I1061-V1095 HydrophobicContact CD1-CB 3.78Å; I1061-V1095 HydrophobicContact CD1-CG1 4.29Å; I1061-V1095 HydrophobicContact CD1-CG2 3.83Å; I1061-V1113 HydrophobicContact CG2-CG1 3.61Å; I1061-H1114 CarbonylContact C-O 3.48Å; I1061-H1114 WeakPolarHBondContact CA-O 3.22Å; I1061-V1115 HydrophobicContact CG1-CG1 4.32Å; I1061-V1115 HydrophobicContact CG1-CG2 4.26Å
1062	D	75.9	Confident	65.2	Low	56 Å²	56	79.5 Å²	79.5	30%	0.299	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.3	-169.9	-165.2	10	0	0	0	112.7	S1064 H1114	D1062-S1064 VanDerWaalsContact CG-OG 3.28Å; D1062-S1064 WeakPolarHBondContact OD1-CB 3.36Å; D1062-S1064 PolarHBondContact OD1-N 2.82Å; D1062-S1064 PolarHBondContact OD1-OG 2.94Å; D1062-S1064 WeakPolarHBondContact OD2-CB 3.38Å; D1062-S1064 PolarHBondContact OD2-OG 2.84Å; D1062-H1114 PolarHBondContact N-O 2.89Å; D1062-H1114 PolarHBondContact O-N 2.86Å
1063	L	73.4	Confident	64.9	Low	14 Å²	14	75.7 Å²	75.7	7%	0.073	42%	0.418	C	S	.	.			trans	-112.3	-5	171.2	-59.7	170.5	0	0	0	111.7	K1065 V1079 L1085 I1111 V1113	L1063-K1065 VanDerWaalsContact C-N 3.3Å; L1063-K1065 PolarHBondContact O-N 2.86Å; L1063-V1079 HydrophobicContact CB-CG1 3.91Å; L1063-V1079 HydrophobicContact CD1-CG1 3.69Å; L1063-V1079 HydrophobicContact CG-CG1 4.35Å; L1063-L1085 HydrophobicContact CD1-CD1 4.4Å; L1063-L1085 HydrophobicContact CD1-CD2 4.04Å; L1063-L1085 HydrophobicContact CD1-CG 3.75Å; L1063-L1085 HydrophobicContact CG-CD1 4.05Å; L1063-L1085 HydrophobicContact CG-CD2 4.14Å; L1063-L1085 HydrophobicContact CG-CG 3.92Å; L1063-I1111 HydrophobicContact CD2-CG2 3.88Å; L1063-V1113 HydrophobicContact CD2-CB 4Å; L1063-V1113 HydrophobicContact CD2-CG1 3.75Å; L1063-V1113 HydrophobicContact CD2-CG2 3.68Å
1064	S	59.1	Low	64.8	Low	86 Å²	86	74.3 Å²	74.3	60%	0.601	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-27.3	-168.7	78.8	0	0	0	0	114.4	D1062	D1062-S1064 VanDerWaalsContact CG-OG 3.28Å; D1062-S1064 WeakPolarHBondContact OD1-CB 3.36Å; D1062-S1064 PolarHBondContact OD1-N 2.82Å; D1062-S1064 PolarHBondContact OD1-OG 2.94Å; D1062-S1064 WeakPolarHBondContact OD2-CB 3.38Å; D1062-S1064 PolarHBondContact OD2-OG 2.84Å
1065	K	55.1	Low	64.9	Low	138 Å²	138	79.3 Å²	79.3	60%	0.6	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-23	-170.9	-67.7	-170.1	176.3	-179.5	0	114.2	L1063	L1063-K1065 VanDerWaalsContact C-N 3.3Å; L1063-K1065 PolarHBondContact O-N 2.86Å
1066	H	51.8	Low	65	Low	74 Å²	74	80.9 Å²	80.9	34%	0.343	43%	0.426	S	S	.	.	S	Bend	trans	-138.1	126.5	178.3	-68	-29.8	0	0	0	111.4	H1114	H1066-H1114 AromaticContact CD2-CE1 3.86Å; H1066-H1114 AromaticContact CD2-NE2 3.14Å; H1066-H1114 PolarHBondContact CD2-NE2 3.47Å; H1066-H1114 AromaticContact NE2-CE1 3.83Å; H1066-H1114 AromaticContact NE2-NE2 3.59Å
1067	Y	55.8	Low	65.2	Low	101 Å²	101	76.3 Å²	76.3	40%	0.396	40%	0.397	S	S	.	.			trans	-63.9	165.4	179.4	-61.6	-94.2	0	0	0	112.1	Y1069 Q1076	Y1067-Y1069 WeakPolarHBondContact O-CD2 3.42Å; Y1067-Y1069 VanDerWaalsContact O-CE2 3.25Å; Y1067-Y1069 WeakPolarHBondContact O-CE2 3.48Å; Y1067-Y1069 PolarHBondContact O-N 2.77Å; Y1067-Q1076 HydrophobicContact CD1-CB 3.98Å; Y1067-Q1076 HydrophobicContact CD1-CG 4.32Å; Y1067-Q1076 HydrophobicContact CD2-CB 4.5Å; Y1067-Q1076 VanDerWaalsContact CD2-CD 3.45Å; Y1067-Q1076 HydrophobicContact CD2-CG 3.95Å; Y1067-Q1076 HydrophobicContact CG-CB 3.9Å; Y1067-Q1076 HydrophobicContact CG-CG 3.8Å
1068	A	60.2	Low	65.1	Low	0 Å²	0	77.5 Å²	77.5	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	111	162.9	0	0	0	0	0	107.7	I1077 V1079 F1083 I1109 L1110 I1111	A1068-I1077 HydrophobicContact CB-CB 4.05Å; A1068-I1077 PolarHBondContact N-O 3Å; A1068-I1077 WeakPolarHBondContact O-CA 3.46Å; A1068-I1077 WeakPolarHBondContact O-CB 3.48Å; A1068-I1077 WeakPolarHBondContact O-CG1 3.43Å; A1068-I1077 PolarHBondContact O-N 2.77Å; A1068-V1079 HydrophobicContact CB-CG2 4.35Å; A1068-F1083 HydrophobicContact CB-CD2 4.26Å; A1068-F1083 HydrophobicContact CB-CE2 3.75Å; A1068-I1109 HydrophobicContact CB-CG2 3.71Å; A1068-L1110 WeakPolarHBondContact CA-O 3.35Å; A1068-I1111 HydrophobicContact CB-CG1 3.98Å
1069	Y	64.6	Low	64.9	Low	74 Å²	74	74.3 Å²	74.3	29%	0.29	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.5	-174.5	-65.9	-96.9	0	0	0	111.7	Y1067 A1071 G1074 Q1076 I1109 L1110	Y1067-Y1069 WeakPolarHBondContact O-CD2 3.42Å; Y1067-Y1069 VanDerWaalsContact O-CE2 3.25Å; Y1067-Y1069 WeakPolarHBondContact O-CE2 3.48Å; Y1067-Y1069 PolarHBondContact O-N 2.77Å; Y1069-A1071 PolarHBondContact O-N 2.88Å; Y1069-G1074 WeakPolarHBondContact CD1-O 3.34Å; Y1069-Q1076 HydrophobicContact CD1-CG 3.92Å; Y1069-Q1076 HydrophobicContact CE1-CG 3.49Å; Y1069-Q1076 VanDerWaalsContact CE1-CG 3.49Å; Y1069-I1109 WeakPolarHBondContact O-CA 3.21Å; Y1069-L1110 PolarHBondContact N-O 2.76Å; Y1069-L1110 PolarHBondContact O-N 3.43Å; Y1069-L1110 VanDerWaalsContact O-N 3.07Å
1070	Q	62.1	Low	64.6	Low	55 Å²	55	76.8 Å²	76.8	26%	0.257	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	112.8	167.5	178.4	178.5	31.8	0	0	109.4	Y1072 S1073 G1074 K1075 M1107 N1108	Q1070-Y1072 VanDerWaalsContact C-N 3.28Å; Q1070-Y1072 PolarHBondContact O-N 2.81Å; Q1070-Y1072 VanDerWaalsContact O-N 3.1Å; Q1070-S1073 WeakPolarHBondContact CB-OG 3.28Å; Q1070-S1073 VanDerWaalsContact CD-OG 3.24Å; Q1070-S1073 WeakPolarHBondContact CG-OG 3.38Å; Q1070-S1073 PolarHBondContact O-N 2.89Å; Q1070-S1073 VanDerWaalsContact O-N 3.16Å; Q1070-S1073 PolarHBondContact OE1-OG 3.18Å; Q1070-G1074 PolarHBondContact O-N 2.85Å; Q1070-K1075 HydrophobicContact CB-CB 4.46Å; Q1070-K1075 PolarHBondContact N-O 2.58Å; Q1070-M1107 HydrophobicContact CB-CG 4.46Å; Q1070-M1107 HydrophobicContact CB-SD 4.44Å; Q1070-M1107 HydrophobicContact CG-CG 4.01Å; Q1070-M1107 HydrophobicContact CG-SD 4.35Å; Q1070-N1108 CarbonylContact C-O 3.1Å; Q1070-N1108 VanDerWaalsContact CA-O 3.3Å; Q1070-N1108 WeakPolarHBondContact CA-O 3.23Å
1071	A	56	Low	64.4	Low	68 Å²	68	72.1 Å²	72.1	56%	0.562	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.1	-160.8	0	0	0	0	0	115.5	Y1069 N1108	Y1069-A1071 PolarHBondContact O-N 2.88Å; A1071-N1108 HydrophobicContact CB-CB 3.64Å; A1071-N1108 PolarHBondContact N-O 2.94Å
1072	Y	55.1	Low	64.3	Low	194 Å²	194	70.7 Å²	70.7	76%	0.761	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-29.5	177.2	-63.3	-68.3	0	0	0	114.1	Q1070 N1108	Q1070-Y1072 VanDerWaalsContact C-N 3.28Å; Q1070-Y1072 PolarHBondContact O-N 2.81Å; Q1070-Y1072 VanDerWaalsContact O-N 3.1Å; Y1072-N1108 HydrophobicContact CE2-CB 4.33Å; Y1072-N1108 WeakPolarHBondContact CE2-ND2 3.26Å; Y1072-N1108 PolarHBondContact OH-ND2 2.03Å
1073	S	63.1	Low	64.6	Low	69 Å²	69	68.2 Å²	68.2	48%	0.483	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-11	-173	67.3	0	0	0	0	113.6	Q1070 K1075	Q1070-S1073 WeakPolarHBondContact CB-OG 3.28Å; Q1070-S1073 VanDerWaalsContact CD-OG 3.24Å; Q1070-S1073 WeakPolarHBondContact CG-OG 3.38Å; Q1070-S1073 PolarHBondContact O-N 2.89Å; Q1070-S1073 VanDerWaalsContact O-N 3.16Å; Q1070-S1073 PolarHBondContact OE1-OG 3.18Å; S1073-K1075 PolarHBondContact O-N 3.11Å; S1073-K1075 VanDerWaalsContact O-N 3.08Å; S1073-K1075 VanDerWaalsContact OG-CB 3.26Å; S1073-K1075 WeakPolarHBondContact OG-CB 3.49Å; S1073-K1075 PolarHBondContact OG-N 3.32Å
1074	G	61.5	Low	65	Low	48 Å²	48	75.2 Å²	75.2	50%	0.495	39%	0.391	S	S	.	.			trans	64.9	4.4	-170.5	0	0	0	0	0	114.1	Y1069 Q1070 Q1076	Y1069-G1074 WeakPolarHBondContact CD1-O 3.34Å; Q1070-G1074 PolarHBondContact O-N 2.85Å; G1074-Q1076 PolarHBondContact O-N 3.4Å
1075	K	68	Low	66.2	Low	147 Å²	147	73.4 Å²	73.4	64%	0.639	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-68.4	126	-173.7	-167.2	172.5	-175.8	173.7	0	110.6	Q1070 S1073	Q1070-K1075 HydrophobicContact CB-CB 4.46Å; Q1070-K1075 PolarHBondContact N-O 2.58Å; S1073-K1075 PolarHBondContact O-N 3.11Å; S1073-K1075 VanDerWaalsContact O-N 3.08Å; S1073-K1075 VanDerWaalsContact OG-CB 3.26Å; S1073-K1075 WeakPolarHBondContact OG-CB 3.49Å; S1073-K1075 PolarHBondContact OG-N 3.32Å
1076	Q	66.2	Low	67.5	Low	99 Å²	99	68.3 Å²	68.3	46%	0.463	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.5	178.6	-69.2	177.3	4.6	0	0	111	Y1067 Y1069 G1074	Y1067-Q1076 HydrophobicContact CD1-CB 3.98Å; Y1067-Q1076 HydrophobicContact CD1-CG 4.32Å; Y1067-Q1076 HydrophobicContact CD2-CB 4.5Å; Y1067-Q1076 VanDerWaalsContact CD2-CD 3.45Å; Y1067-Q1076 HydrophobicContact CD2-CG 3.95Å; Y1067-Q1076 HydrophobicContact CG-CB 3.9Å; Y1067-Q1076 HydrophobicContact CG-CG 3.8Å; Y1069-Q1076 HydrophobicContact CD1-CG 3.92Å; Y1069-Q1076 HydrophobicContact CE1-CG 3.49Å; Y1069-Q1076 VanDerWaalsContact CE1-CG 3.49Å; G1074-Q1076 PolarHBondContact O-N 3.4Å
1077	I	66.9	Low	69	Low	25 Å²	25	69.8 Å²	69.8	13%	0.128	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.8	169.1	-51.4	166.3	0	0	0	106.6	A1068 V1079 M1107 I1109	A1068-I1077 HydrophobicContact CB-CB 4.05Å; A1068-I1077 PolarHBondContact N-O 3Å; A1068-I1077 WeakPolarHBondContact O-CA 3.46Å; A1068-I1077 WeakPolarHBondContact O-CB 3.48Å; A1068-I1077 WeakPolarHBondContact O-CG1 3.43Å; A1068-I1077 PolarHBondContact O-N 2.77Å; I1077-V1079 PolarHBondContact O-N 2.84Å; I1077-V1079 VanDerWaalsContact O-N 3.09Å; I1077-M1107 HydrophobicContact CD1-CE 3.61Å; I1077-M1107 HydrophobicContact CD1-SD 3.76Å; I1077-I1109 HydrophobicContact CD1-CG1 4.44Å; I1077-I1109 HydrophobicContact CD1-CG2 4.45Å
1078	P	67.9	Low	70.2	Confident	65 Å²	65	65.6 Å²	65.6	42%	0.422	35%	0.354	S	S	.	.			trans	-64.8	114	178.1	23.7	-31.8	0	0	0	110	S1080 T1081	P1078-S1080 VanDerWaalsContact C-N 3.27Å; P1078-S1080 PolarHBondContact O-N 2.86Å; P1078-T1081 HydrophobicContact CB-CG2 4.17Å; P1078-T1081 HydrophobicContact CG-CG2 3.73Å; P1078-T1081 WeakPolarHBondContact O-CB 3.44Å; P1078-T1081 PolarHBondContact O-N 3.06Å; P1078-T1081 PolarHBondContact O-OG1 3.32Å
1079	V	69.6	Low	71.1	Confident	17 Å²	17	76.5 Å²	76.5	10%	0.103	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-53.8	-43.5	-168.2	-176.7	0	0	0	0	111.9	L1063 A1068 I1077 T1081 A1082 F1083	L1063-V1079 HydrophobicContact CB-CG1 3.91Å; L1063-V1079 HydrophobicContact CD1-CG1 3.69Å; L1063-V1079 HydrophobicContact CG-CG1 4.35Å; A1068-V1079 HydrophobicContact CB-CG2 4.35Å; I1077-V1079 PolarHBondContact O-N 2.84Å; I1077-V1079 VanDerWaalsContact O-N 3.09Å; V1079-T1081 PolarHBondContact O-N 3.22Å; V1079-A1082 PolarHBondContact O-N 3.47Å; V1079-F1083 HydrophobicContact CG1-CB 3.86Å; V1079-F1083 HydrophobicContact CG1-CD2 4.09Å; V1079-F1083 HydrophobicContact CG1-CG 4.44Å; V1079-F1083 PolarHBondContact O-N 3.21Å
1080	S	69.9	Low	71.7	Confident	100 Å²	100	77 Å²	77	70%	0.699	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-54.9	-21.7	179	52.8	0	0	0	0	115	P1078	P1078-S1080 VanDerWaalsContact C-N 3.27Å; P1078-S1080 PolarHBondContact O-N 2.86Å
1081	T	72.7	Confident	72.2	Confident	55 Å²	55	78 Å²	78	34%	0.337	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-84.6	-17.1	179.1	71.4	0	0	0	0	113.7	P1078 V1079 R1101	P1078-T1081 HydrophobicContact CB-CG2 4.17Å; P1078-T1081 HydrophobicContact CG-CG2 3.73Å; P1078-T1081 WeakPolarHBondContact O-CB 3.44Å; P1078-T1081 PolarHBondContact O-N 3.06Å; P1078-T1081 PolarHBondContact O-OG1 3.32Å; V1079-T1081 PolarHBondContact O-N 3.22Å; T1081-R1101 PolarHBondContact O-NE 3.11Å; T1081-R1101 PolarHBondContact OG1-NH2 2.85Å
1082	A	75.6	Confident	73.2	Confident	0 Å²	0	82 Å²	82	0%	0	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-24.6	-172	0	0	0	0	0	113.8	V1079 L1099 L1100 L1103	V1079-A1082 PolarHBondContact O-N 3.47Å; A1082-L1099 CarbonylContact O-C 3.53Å; A1082-L1100 PolarHBondContact O-N 2.72Å; A1082-L1103 HydrophobicContact CB-CD2 4.07Å
1083	F	81.3	Confident	74.1	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.018	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.8	-174.8	-48.2	-78.6	0	0	0	112	L1046 A1068 V1079 R1098 L1099 L1103 I1109 I1111 L1133	L1046-F1083 HydrophobicContact CD1-CD1 3.77Å; L1046-F1083 HydrophobicContact CD1-CE1 3.84Å; A1068-F1083 HydrophobicContact CB-CD2 4.26Å; A1068-F1083 HydrophobicContact CB-CE2 3.75Å; V1079-F1083 HydrophobicContact CG1-CB 3.86Å; V1079-F1083 HydrophobicContact CG1-CD2 4.09Å; V1079-F1083 HydrophobicContact CG1-CG 4.44Å; V1079-F1083 PolarHBondContact O-N 3.21Å; F1083-R1098 CarbonylContact C-O 3.54Å; F1083-R1098 WeakPolarHBondContact CA-O 3.47Å; F1083-L1099 HydrophobicContact CD1-CD1 4.02Å; F1083-L1099 HydrophobicContact CE1-CD1 3.58Å; F1083-L1099 HydrophobicContact CZ-CD1 4.36Å; F1083-L1103 HydrophobicContact CE1-CD1 4.25Å; F1083-L1103 HydrophobicContact CZ-CD1 4.04Å; F1083-L1103 HydrophobicContact CZ-CD2 4.28Å; F1083-I1109 HydrophobicContact CZ-CD1 4.19Å; F1083-I1109 HydrophobicContact CZ-CG2 4.44Å; F1083-I1111 HydrophobicContact CD1-CD1 3.87Å; F1083-I1111 HydrophobicContact CD2-CD1 4.13Å; F1083-I1111 HydrophobicContact CD2-CG1 4.43Å; F1083-I1111 HydrophobicContact CE1-CD1 3.62Å; F1083-I1111 HydrophobicContact CE2-CD1 3.89Å; F1083-I1111 HydrophobicContact CE2-CG1 4.19Å; F1083-I1111 HydrophobicContact CG-CD1 4.13Å; F1083-I1111 HydrophobicContact CZ-CD1 3.64Å; F1083-I1111 HydrophobicContact CZ-CG1 4.35Å; F1083-L1133 HydrophobicContact CE1-CD2 3.88Å; F1083-L1133 HydrophobicContact CZ-CD2 4.28Å
1084	R	83.2	Confident	74.8	Confident	161 Å²	161	71.3 Å²	71.3	61%	0.608	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.8	136.4	-179.9	-163.2	174.9	-171.6	164.9	5.9	111.7	R1098 L1100	R1084-R1098 PolarHBondContact N-O 2.99Å; R1084-R1098 PolarHBondContact O-N 2.95Å; R1084-L1100 HydrophobicContact CB-CD1 4.03Å; R1084-L1100 HydrophobicContact CB-CD2 3.8Å; R1084-L1100 HydrophobicContact CB-CG 3.98Å
1085	L	82.9	Confident	75.8	Confident	47 Å²	47	70.3 Å²	70.3	25%	0.246	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.3	161.4	-63.5	175.4	0	0	0	109.3	I1061 L1063 V1095 E1096 V1097 V1113	I1061-L1085 HydrophobicContact CB-CD1 4.33Å; I1061-L1085 HydrophobicContact CG2-CD1 3.84Å; I1061-L1085 HydrophobicContact CG2-CD2 4.08Å; I1061-L1085 VanDerWaalsContact O-CD1 3.26Å; I1061-L1085 WeakPolarHBondContact O-CD1 3.25Å; L1063-L1085 HydrophobicContact CD1-CD1 4.4Å; L1063-L1085 HydrophobicContact CD1-CD2 4.04Å; L1063-L1085 HydrophobicContact CD1-CG 3.75Å; L1063-L1085 HydrophobicContact CG-CD1 4.05Å; L1063-L1085 HydrophobicContact CG-CD2 4.14Å; L1063-L1085 HydrophobicContact CG-CG 3.92Å; L1085-V1095 HydrophobicContact CB-CG1 4.1Å; L1085-V1095 HydrophobicContact CD2-CG1 4.01Å; L1085-E1096 WeakPolarHBondContact CA-O 3.35Å; L1085-V1097 HydrophobicContact CD2-CG2 3.9Å; L1085-V1113 HydrophobicContact CD2-CG1 4.37Å
1086	Q	82.8	Confident	76.5	Confident	32 Å²	32	64 Å²	64	15%	0.15	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.2	168	68.6	172.8	12.7	0	0	110.2	S1088 V1095 E1096 R1098	Q1086-S1088 PolarHBondContact O-N 3.36Å; Q1086-V1095 CarbonylContact O-C 3.5Å; Q1086-V1095 WeakPolarHBondContact O-CA 3.22Å; Q1086-V1095 WeakPolarHBondContact O-CG1 3.48Å; Q1086-E1096 HydrophobicContact CG-CB 3.87Å; Q1086-E1096 PolarHBondContact N-O 3Å; Q1086-E1096 PolarHBondContact NE2-OE2 2.81Å; Q1086-E1096 PolarHBondContact O-N 2.73Å; Q1086-R1098 HydrophobicContact CG-CG 4.29Å
1087	P	83.5	Confident	77.3	Confident	105 Å²	105	59.3 Å²	59.3	68%	0.682	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57	137.2	161	-21.4	33.6	0	0	0	110.1	R1089	P1087-R1089 PolarHBondContact O-N 3.18Å
1088	S	80.7	Confident	78	Confident	13 Å²	13	61 Å²	61	9%	0.091	32%	0.322	C	S	.	.			trans	-65.9	133.8	176.9	-177.3	0	0	0	0	110.8	Q1086 S1090 H1091 S1094 E1096	Q1086-S1088 PolarHBondContact O-N 3.36Å; S1088-S1090 PolarHBondContact OG-N 2.77Å; S1088-S1090 PolarHBondContact OG-OG 2.92Å; S1088-H1091 WeakPolarHBondContact CB-O 3.38Å; S1088-H1091 PolarHBondContact OG-N 3.01Å; S1088-H1091 VanDerWaalsContact OG-N 3.11Å; S1088-S1094 WeakPolarHBondContact CB-OG 3.1Å; S1088-S1094 PolarHBondContact N-O 3Å; S1088-E1096 VanDerWaalsContact CA-OE1 3.22Å; S1088-E1096 WeakPolarHBondContact CA-OE1 3.34Å; S1088-E1096 WeakPolarHBondContact CB-OE1 3.28Å; S1088-E1096 PolarHBondContact OG-OE1 2.74Å
1089	R	80.1	Confident	78.7	Confident	229 Å²	229	58 Å²	58	86%	0.864	30%	0.303	S	S	*	.	S	Bend	trans	-81.9	-25.5	175	-66.4	-173.5	179.5	-169.3	-1.6	112.8	P1087	P1087-R1089 PolarHBondContact O-N 3.18Å
1090	S	77.6	Confident	79.3	Confident	83 Å²	83	60.2 Å²	60.2	58%	0.58	31%	0.314	S	S	*	.	S	Bend	trans	-94.2	-24.5	-178.9	44.3	0	0	0	0	113.2	S1088	S1088-S1090 PolarHBondContact OG-N 2.77Å; S1088-S1090 PolarHBondContact OG-OG 2.92Å
1091	H	72.3	Confident	79.7	Confident	78 Å²	78	61.5 Å²	61.5	36%	0.361	30%	0.304	S	S	.	.	S	Bend	trans	-131.5	88.9	-176	-55	-75.1	0	0	0	111.5	R1048 S1088 G1093 S1094	R1048-H1091 VanDerWaalsContact CD-CD2 3.48Å; R1048-H1091 WeakPolarHBondContact CD-CD2 3.25Å; R1048-H1091 PolarHBondContact NH1-CD2 3.46Å; R1048-H1091 PolarHBondContact NH1-NE2 2.89Å; R1048-H1091 VanDerWaalsContact NH1-NE2 3.2Å; S1088-H1091 WeakPolarHBondContact CB-O 3.38Å; S1088-H1091 PolarHBondContact OG-N 3.01Å; S1088-H1091 VanDerWaalsContact OG-N 3.11Å; H1091-G1093 PolarHBondContact O-N 3.33Å; H1091-S1094 WeakPolarHBondContact CB-OG 3.15Å; H1091-S1094 PolarHBondContact O-N 2.88Å; H1091-S1094 VanDerWaalsContact O-N 3.11Å; H1091-S1094 PolarHBondContact O-OG 2.9Å
1092	I	75.7	Confident	79.8	Confident	152 Å²	152	63.8 Å²	63.8	78%	0.779	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	129.5	171.8	-58.8	170.4	0	0	0	109.4	K1052	K1052-I1092 WeakPolarHBondContact CE-O 2.84Å; K1052-I1092 PolarHBondContact NZ-O 3.23Å
1093	G	75	Confident	79.8	Confident	32 Å²	32	64.3 Å²	64.3	33%	0.33	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	28.6	-175.6	0	0	0	0	0	114.2	T1051 H1091	T1051-G1093 WeakPolarHBondContact CA-O 3.38Å; T1051-G1093 PolarHBondContact N-O 3.34Å; T1051-G1093 PolarHBondContact OG1-O 2.96Å; H1091-G1093 PolarHBondContact O-N 3.33Å
1094	S	78.2	Confident	79.2	Confident	5 Å²	5	67.8 Å²	67.8	4%	0.035	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.8	170.4	70.9	0	0	0	0	112.3	R1048 I1049 S1088 H1091	R1048-S1094 WeakPolarHBondContact CD-OG 3.16Å; I1049-S1094 CarbonylContact O-C 3.59Å; I1049-S1094 WeakPolarHBondContact O-CA 3.34Å; I1049-S1094 WeakPolarHBondContact O-CB 3.42Å; S1088-S1094 WeakPolarHBondContact CB-OG 3.1Å; S1088-S1094 PolarHBondContact N-O 3Å; H1091-S1094 WeakPolarHBondContact CB-OG 3.15Å; H1091-S1094 PolarHBondContact O-N 2.88Å; H1091-S1094 VanDerWaalsContact O-N 3.11Å; H1091-S1094 PolarHBondContact O-OG 2.9Å
1095	V	81.2	Confident	78.4	Confident	28 Å²	28	60.9 Å²	60.9	17%	0.17	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.9	-179.2	173.3	0	0	0	0	109.7	I1049 I1061 L1085 Q1086	I1049-V1095 PolarHBondContact N-O 2.82Å; I1049-V1095 PolarHBondContact O-N 2.68Å; I1061-V1095 HydrophobicContact CD1-CB 3.78Å; I1061-V1095 HydrophobicContact CD1-CG1 4.29Å; I1061-V1095 HydrophobicContact CD1-CG2 3.83Å; L1085-V1095 HydrophobicContact CB-CG1 4.1Å; L1085-V1095 HydrophobicContact CD2-CG1 4.01Å; Q1086-V1095 CarbonylContact O-C 3.5Å; Q1086-V1095 WeakPolarHBondContact O-CA 3.22Å; Q1086-V1095 WeakPolarHBondContact O-CG1 3.48Å
1096	E	84	Confident	77.5	Confident	13 Å²	13	63 Å²	63	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.2	-178.4	-71.2	173.8	-154.3	0	0	111.3	T1045 A1047 R1048 L1085 Q1086 S1088	T1045-E1096 HydrophobicContact CG2-CB 3.76Å; T1045-E1096 HydrophobicContact CG2-CG 3.66Å; T1045-E1096 WeakPolarHBondContact CG2-OE2 3.01Å; T1045-E1096 PolarHBondContact OG1-OE2 2.74Å; A1047-E1096 WeakPolarHBondContact O-CA 2.99Å; R1048-E1096 HydrophobicContact CB-CG 4.46Å; R1048-E1096 HydrophobicContact CG-CG 4.05Å; L1085-E1096 WeakPolarHBondContact CA-O 3.35Å; Q1086-E1096 HydrophobicContact CG-CB 3.87Å; Q1086-E1096 PolarHBondContact N-O 3Å; Q1086-E1096 PolarHBondContact NE2-OE2 2.81Å; Q1086-E1096 PolarHBondContact O-N 2.73Å; S1088-E1096 VanDerWaalsContact CA-OE1 3.22Å; S1088-E1096 WeakPolarHBondContact CA-OE1 3.34Å; S1088-E1096 WeakPolarHBondContact CB-OE1 3.28Å; S1088-E1096 PolarHBondContact OG-OE1 2.74Å
1097	V	81.6	Confident	76.9	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	108.2	163.4	-175.1	0	0	0	0	107.3	L1046 A1047 I1049 L1085 V1113 L1131	L1046-V1097 WeakPolarHBondContact CB-O 3.41Å; L1046-V1097 HydrophobicContact CD1-CG1 4.48Å; L1046-V1097 PolarHBondContact N-O 2.95Å; A1047-V1097 HydrophobicContact CB-CB 4.32Å; A1047-V1097 HydrophobicContact CB-CG2 4.37Å; A1047-V1097 PolarHBondContact N-O 3.32Å; A1047-V1097 PolarHBondContact O-N 3.47Å; I1049-V1097 HydrophobicContact CD1-CG2 4.38Å; L1085-V1097 HydrophobicContact CD2-CG2 3.9Å; V1097-V1113 HydrophobicContact CG2-CG2 4.14Å; V1097-L1131 HydrophobicContact CG1-CD2 3.98Å
1098	R	82.5	Confident	76.1	Confident	60 Å²	60	58.5 Å²	58.5	23%	0.226	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	148.4	173.6	-78.7	-165.4	116.2	141.7	-6.2	112.7	P1043 Q1044 F1083 R1084 Q1086	P1043-R1098 PolarHBondContact O-NE 2.94Å; P1043-R1098 PolarHBondContact O-NH2 3.32Å; Q1044-R1098 CarbonylContact O-C 3.35Å; Q1044-R1098 VanDerWaalsContact O-CA 3.28Å; Q1044-R1098 WeakPolarHBondContact O-CA 3.02Å; F1083-R1098 CarbonylContact C-O 3.54Å; F1083-R1098 WeakPolarHBondContact CA-O 3.47Å; R1084-R1098 PolarHBondContact N-O 2.99Å; R1084-R1098 PolarHBondContact O-N 2.95Å; Q1086-R1098 HydrophobicContact CG-CG 4.29Å
1099	L	82	Confident	75.7	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	137.6	151.9	-173.9	69.8	0	0	0	109.2	L1036 A1042 P1043 Q1044 L1046 A1082 F1083 R1101 L1103	L1036-L1099 HydrophobicContact CD1-CD2 4.12Å; A1042-L1099 HydrophobicContact CB-CD2 4.13Å; A1042-L1099 HydrophobicContact CB-CG 4.28Å; P1043-L1099 CarbonylContact C-O 3.53Å; P1043-L1099 WeakPolarHBondContact CA-O 3.46Å; P1043-L1099 VanDerWaalsContact CB-O 3.27Å; P1043-L1099 WeakPolarHBondContact CB-O 3.29Å; Q1044-L1099 HydrophobicContact CG-CB 3.91Å; Q1044-L1099 HydrophobicContact CG-CD2 4Å; Q1044-L1099 PolarHBondContact N-O 2.86Å; Q1044-L1099 PolarHBondContact O-N 3.3Å; L1046-L1099 HydrophobicContact CD1-CB 4.12Å; L1046-L1099 HydrophobicContact CD2-CB 4.24Å; L1046-L1099 HydrophobicContact CG-CB 4.17Å; A1082-L1099 CarbonylContact O-C 3.53Å; F1083-L1099 HydrophobicContact CD1-CD1 4.02Å; F1083-L1099 HydrophobicContact CE1-CD1 3.58Å; F1083-L1099 HydrophobicContact CZ-CD1 4.36Å; L1099-R1101 WeakPolarHBondContact CD1-O 3.39Å; L1099-R1101 VanDerWaalsContact CG-O 3.27Å; L1099-R1101 WeakPolarHBondContact CG-O 3.05Å; L1099-L1103 HydrophobicContact CD1-CD1 3.47Å; L1099-L1103 VanDerWaalsContact CD1-CD1 3.47Å; L1099-L1103 HydrophobicContact CD1-CG 3.96Å
1100	L	82.6	Confident	75.2	Confident	64 Å²	64	49.1 Å²	49.1	34%	0.335	27%	0.265	S	S	.	.			trans	-102.2	-33.6	179.1	-68.2	-175.2	0	0	0	114.2	A1082 R1084	A1082-L1100 PolarHBondContact O-N 2.72Å; R1084-L1100 HydrophobicContact CB-CD1 4.03Å; R1084-L1100 HydrophobicContact CB-CD2 3.8Å; R1084-L1100 HydrophobicContact CB-CG 3.98Å
1101	R	78.8	Confident	75.1	Confident	127 Å²	127	45.1 Å²	45.1	48%	0.479	24%	0.237	S	C	.	.	S	Bend	trans	-140.8	162.4	-178.2	56.4	166	169.7	151.4	-1.1	110.8	T1081 L1099	T1081-R1101 PolarHBondContact O-NE 3.11Å; T1081-R1101 PolarHBondContact OG1-NH2 2.85Å; L1099-R1101 WeakPolarHBondContact CD1-O 3.39Å; L1099-R1101 VanDerWaalsContact CG-O 3.27Å; L1099-R1101 WeakPolarHBondContact CG-O 3.05Å
1102	K	75.3	Confident	75.1	Confident	102 Å²	102	42 Å²	42	44%	0.443	22%	0.224	S	C	.	.			trans	-55.9	148.5	165.3	-72.6	-177	170.5	-175.9	0	110.4	Q1038 D1039	Q1038-K1102 VanDerWaalsContact O-CD 3.3Å; Q1038-K1102 WeakPolarHBondContact O-CD 3.03Å; Q1038-K1102 WeakPolarHBondContact O-CG 3.49Å; D1039-K1102 WeakPolarHBondContact O-CE 3.38Å; D1039-K1102 IonicContact OD1-NZ 3.13Å; D1039-K1102 PolarHBondContact OD1-NZ 3.2Å
1103	L	73.8	Confident	75.1	Confident	11 Å²	11	34.9 Å²	34.9	6%	0.058	19%	0.187	C	C	.	.			trans	-109.5	147.3	178.8	-72.3	157	0	0	0	108.9	A1082 F1083 L1099 M1107 I1109 L1133 V1135	A1082-L1103 HydrophobicContact CB-CD2 4.07Å; F1083-L1103 HydrophobicContact CE1-CD1 4.25Å; F1083-L1103 HydrophobicContact CZ-CD1 4.04Å; F1083-L1103 HydrophobicContact CZ-CD2 4.28Å; L1099-L1103 HydrophobicContact CD1-CD1 3.47Å; L1099-L1103 VanDerWaalsContact CD1-CD1 3.47Å; L1099-L1103 HydrophobicContact CD1-CG 3.96Å; L1103-M1107 HydrophobicContact CB-CE 4.29Å; L1103-M1107 HydrophobicContact CD2-CE 3.91Å; L1103-I1109 HydrophobicContact CD1-CD1 3.59Å; L1103-I1109 HydrophobicContact CD2-CD1 3.91Å; L1103-I1109 HydrophobicContact CG-CD1 4.25Å; L1103-L1133 HydrophobicContact CD1-CD2 4.1Å; L1103-V1135 HydrophobicContact CB-CG1 4.19Å; L1103-V1135 HydrophobicContact CB-CG2 3.95Å; L1103-V1135 HydrophobicContact CD1-CG2 3.96Å
1104	P	70.4	Confident	75.1	Confident	78 Å²	78	34 Å²	34	51%	0.506	18%	0.175	S	C	.	.			trans	-67.3	156.1	172.8	30.8	-36	0	0	0	110.9	M1107	P1104-M1107 HydrophobicContact CG-CE 3.7Å; P1104-M1107 HydrophobicContact CG-SD 4.05Å; P1104-M1107 WeakPolarHBondContact O-CB 3.46Å
1105	A	65.7	Low	75.1	Confident	15 Å²	15	33.9 Å²	33.9	12%	0.124	17%	0.174	C	C	.	.	S	Bend	trans	-134.4	153.9	-178.6	0	0	0	0	0	112.5	Q1038 V1135 T1136 Q1137	Q1038-A1105 HydrophobicContact CB-CB 3.96Å; Q1038-A1105 HydrophobicContact CG-CB 4.22Å; A1105-V1135 HydrophobicContact CB-CB 4.47Å; A1105-V1135 HydrophobicContact CB-CG1 4.02Å; A1105-T1136 VanDerWaalsContact CB-C 3.49Å; A1105-T1136 WeakPolarHBondContact CB-O 3.49Å; A1105-Q1137 VanDerWaalsContact C-CG 3.42Å; A1105-Q1137 HydrophobicContact CB-CB 4.29Å; A1105-Q1137 HydrophobicContact CB-CG 3.63Å; A1105-Q1137 WeakPolarHBondContact O-CG 3.38Å; A1105-Q1137 PolarHBondContact O-NE2 3.21Å
1106	P	64	Low	74.9	Confident	91 Å²	91	33.7 Å²	33.7	59%	0.591	17%	0.173	S	C	*	.	S	Bend	cis	-74.9	135.7	-4.1	32.5	-34.4	0	0	0	110.7	V1135	P1106-V1135 VanDerWaalsContact CA-O 3.32Å; P1106-V1135 WeakPolarHBondContact CA-O 3.34Å
1107	M	69.8	Low	74.6	Confident	14 Å²	14	33 Å²	33	7%	0.069	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	117.7	179.1	-163.9	161.9	67.6	0	0	113.4	Q1070 I1077 L1103 P1104 I1109 V1135	Q1070-M1107 HydrophobicContact CB-CG 4.46Å; Q1070-M1107 HydrophobicContact CB-SD 4.44Å; Q1070-M1107 HydrophobicContact CG-CG 4.01Å; Q1070-M1107 HydrophobicContact CG-SD 4.35Å; I1077-M1107 HydrophobicContact CD1-CE 3.61Å; I1077-M1107 HydrophobicContact CD1-SD 3.76Å; L1103-M1107 HydrophobicContact CB-CE 4.29Å; L1103-M1107 HydrophobicContact CD2-CE 3.91Å; P1104-M1107 HydrophobicContact CG-CE 3.7Å; P1104-M1107 HydrophobicContact CG-SD 4.05Å; P1104-M1107 WeakPolarHBondContact O-CB 3.46Å; M1107-I1109 HydrophobicContact CE-CD1 3.64Å; M1107-I1109 HydrophobicContact CE-CG1 3.96Å; M1107-I1109 HydrophobicContact CG-CG1 3.94Å; M1107-V1135 HydrophobicContact CB-CB 4.44Å; M1107-V1135 PolarHBondContact N-O 2.72Å; M1107-V1135 WeakPolarHBondContact O-CG2 3.48Å; M1107-V1135 PolarHBondContact O-N 2.82Å
1108	N	67.8	Low	74.5	Confident	30 Å²	30	33.3 Å²	33.3	16%	0.16	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.3	169.8	-59.8	10.5	0	0	0	108	Q1070 A1071 Y1072 L1133 F1134	Q1070-N1108 CarbonylContact C-O 3.1Å; Q1070-N1108 VanDerWaalsContact CA-O 3.3Å; Q1070-N1108 WeakPolarHBondContact CA-O 3.23Å; A1071-N1108 HydrophobicContact CB-CB 3.64Å; A1071-N1108 PolarHBondContact N-O 2.94Å; Y1072-N1108 HydrophobicContact CE2-CB 4.33Å; Y1072-N1108 WeakPolarHBondContact CE2-ND2 3.26Å; Y1072-N1108 PolarHBondContact OH-ND2 2.03Å; N1108-L1133 CarbonylContact C-O 3.53Å; N1108-L1133 WeakPolarHBondContact CA-O 3.48Å; N1108-F1134 HydrophobicContact CB-CD1 4.24Å; N1108-F1134 HydrophobicContact CB-CE1 4.43Å; N1108-F1134 WeakPolarHBondContact OD1-CD1 3.05Å
1109	I	71.6	Confident	74.3	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.4	-173.6	-48.8	173	0	0	0	109.5	A1068 Y1069 I1077 F1083 L1103 M1107 I1111 Y1132 L1133 V1135	A1068-I1109 HydrophobicContact CB-CG2 3.71Å; Y1069-I1109 WeakPolarHBondContact O-CA 3.21Å; I1077-I1109 HydrophobicContact CD1-CG1 4.44Å; I1077-I1109 HydrophobicContact CD1-CG2 4.45Å; F1083-I1109 HydrophobicContact CZ-CD1 4.19Å; F1083-I1109 HydrophobicContact CZ-CG2 4.44Å; L1103-I1109 HydrophobicContact CD1-CD1 3.59Å; L1103-I1109 HydrophobicContact CD2-CD1 3.91Å; L1103-I1109 HydrophobicContact CG-CD1 4.25Å; M1107-I1109 HydrophobicContact CE-CD1 3.64Å; M1107-I1109 HydrophobicContact CE-CG1 3.96Å; M1107-I1109 HydrophobicContact CG-CG1 3.94Å; I1109-I1111 HydrophobicContact CG2-CG1 4.1Å; I1109-Y1132 CarbonylContact O-C 3.5Å; I1109-Y1132 WeakPolarHBondContact O-CA 3.47Å; I1109-L1133 HydrophobicContact CB-CB 4.04Å; I1109-L1133 HydrophobicContact CD1-CB 4.36Å; I1109-L1133 HydrophobicContact CG1-CB 4.49Å; I1109-L1133 PolarHBondContact N-O 2.84Å; I1109-L1133 PolarHBondContact O-N 3.47Å; I1109-V1135 HydrophobicContact CD1-CG2 4.09Å
1110	L	69.8	Low	74.2	Confident	40 Å²	40	39.6 Å²	39.6	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.5	167.7	172.1	55.7	0	0	0	110.2	A1068 Y1069 K1130 Y1132	A1068-L1110 WeakPolarHBondContact CA-O 3.35Å; Y1069-L1110 PolarHBondContact N-O 2.76Å; Y1069-L1110 PolarHBondContact O-N 3.43Å; Y1069-L1110 VanDerWaalsContact O-N 3.07Å; L1110-K1130 HydrophobicContact CD1-CB 3.67Å; L1110-K1130 HydrophobicContact CD1-CD 3.96Å; L1110-K1130 HydrophobicContact CD1-CG 3.87Å; L1110-K1130 HydrophobicContact CD2-CD 4.46Å; L1110-Y1132 HydrophobicContact CB-CD1 4.47Å; L1110-Y1132 HydrophobicContact CD1-CD1 3.93Å; L1110-Y1132 HydrophobicContact CD1-CE1 3.77Å; L1110-Y1132 HydrophobicContact CD1-CE2 4.4Å; L1110-Y1132 HydrophobicContact CD1-CG 4.33Å; L1110-Y1132 HydrophobicContact CD2-CE1 4.25Å; L1110-Y1132 HydrophobicContact CG-CE1 4.44Å
1111	I	74.5	Confident	73.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.3	171.4	-58.8	154.8	0	0	0	107.7	L1063 A1068 F1083 I1109 K1130 L1131 L1133	L1063-I1111 HydrophobicContact CD2-CG2 3.88Å; A1068-I1111 HydrophobicContact CB-CG1 3.98Å; F1083-I1111 HydrophobicContact CD1-CD1 3.87Å; F1083-I1111 HydrophobicContact CD2-CD1 4.13Å; F1083-I1111 HydrophobicContact CD2-CG1 4.43Å; F1083-I1111 HydrophobicContact CE1-CD1 3.62Å; F1083-I1111 HydrophobicContact CE2-CD1 3.89Å; F1083-I1111 HydrophobicContact CE2-CG1 4.19Å; F1083-I1111 HydrophobicContact CG-CD1 4.13Å; F1083-I1111 HydrophobicContact CZ-CD1 3.64Å; F1083-I1111 HydrophobicContact CZ-CG1 4.35Å; I1109-I1111 HydrophobicContact CG2-CG1 4.1Å; I1111-K1130 CarbonylContact O-C 3.59Å; I1111-K1130 WeakPolarHBondContact O-CA 3.24Å; I1111-L1131 HydrophobicContact CB-CB 4.19Å; I1111-L1131 HydrophobicContact CD1-CD2 3.9Å; I1111-L1131 HydrophobicContact CD1-CG 4.35Å; I1111-L1131 PolarHBondContact N-O 3.31Å; I1111-L1131 PolarHBondContact O-N 2.86Å; I1111-L1133 HydrophobicContact CD1-CD1 4.38Å
1112	S	72.9	Confident	73.8	Confident	11 Å²	11	43.4 Å²	43.4	8%	0.077	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.1	170.7	-56.2	0	0	0	0	110.4	T1129	S1112-T1129 CarbonylContact C-O 3.6Å; S1112-T1129 WeakPolarHBondContact CA-O 3.31Å
1113	V	75.4	Confident	73.9	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.5	175.7	-156.4	0	0	0	0	109.3	I1049 I1061 L1063 L1085 V1097 I1128 T1129	I1049-V1113 HydrophobicContact CD1-CB 4.42Å; I1049-V1113 HydrophobicContact CD1-CG1 3.86Å; I1061-V1113 HydrophobicContact CG2-CG1 3.61Å; L1063-V1113 HydrophobicContact CD2-CB 4Å; L1063-V1113 HydrophobicContact CD2-CG1 3.75Å; L1063-V1113 HydrophobicContact CD2-CG2 3.68Å; L1085-V1113 HydrophobicContact CD2-CG1 4.37Å; V1097-V1113 HydrophobicContact CG2-CG2 4.14Å; V1113-I1128 WeakPolarHBondContact O-CA 3.42Å; V1113-T1129 HydrophobicContact CB-CG2 3.6Å; V1113-T1129 HydrophobicContact CG2-CG2 3.83Å; V1113-T1129 PolarHBondContact N-O 2.79Å; V1113-T1129 PolarHBondContact O-N 2.03Å
1114	H	75.6	Confident	74.2	Confident	15 Å²	15	46.4 Å²	46.4	7%	0.069	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137	176.7	-71.6	-125.3	0	0	0	109.4	I1061 D1062 H1066 H1126 A1127	I1061-H1114 CarbonylContact C-O 3.48Å; I1061-H1114 WeakPolarHBondContact CA-O 3.22Å; D1062-H1114 PolarHBondContact N-O 2.89Å; D1062-H1114 PolarHBondContact O-N 2.86Å; H1066-H1114 AromaticContact CD2-CE1 3.86Å; H1066-H1114 AromaticContact CD2-NE2 3.14Å; H1066-H1114 PolarHBondContact CD2-NE2 3.47Å; H1066-H1114 AromaticContact NE2-CE1 3.83Å; H1066-H1114 AromaticContact NE2-NE2 3.59Å; H1114-H1126 AromaticContact CG-NE2 3.83Å; H1114-H1126 AromaticContact ND1-CE1 3.64Å; H1114-H1126 AromaticContact ND1-NE2 3.23Å; H1114-H1126 PolarHBondContact ND1-NE2 3.33Å; H1114-A1127 WeakPolarHBondContact CA-O 3.24Å
1115	V	77.3	Confident	74.2	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	104.3	172.9	-175.1	0	0	0	0	107.8	M1029 L1054 V1059 I1061 H1126 A1127	M1029-V1115 HydrophobicContact SD-CG2 4.09Å; L1054-V1115 HydrophobicContact CD1-CG1 4.22Å; V1059-V1115 HydrophobicContact CG1-CG1 4.08Å; I1061-V1115 HydrophobicContact CG1-CG1 4.32Å; I1061-V1115 HydrophobicContact CG1-CG2 4.26Å; V1115-H1126 CarbonylContact O-C 3.25Å; V1115-H1126 WeakPolarHBondContact O-CA 3.44Å; V1115-A1127 PolarHBondContact N-O 3.01Å; V1115-A1127 PolarHBondContact O-N 3.12Å
1116	T	77.4	Confident	74.6	Confident	23 Å²	23	46.8 Å²	46.8	14%	0.141	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.9	175.8	-82	0	0	0	0	108.5	R1060 E1123 H1126	R1060-T1116 HydrophobicContact CB-CG2 4.47Å; R1060-T1116 PolarHBondContact N-O 3.14Å; R1060-T1116 PolarHBondContact O-N 3.26Å; T1116-E1123 WeakPolarHBondContact CB-OE1 3.47Å; T1116-E1123 HydrophobicContact CG2-CG 4.16Å; T1116-E1123 WeakPolarHBondContact CG2-OE1 3.35Å; T1116-E1123 PolarHBondContact OG1-OE1 2.81Å; T1116-H1126 PolarHBondContact OG1-CD2 2.98Å
1117	I	77.2	Confident	74.9	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.3	176.9	-42.3	178.9	0	0	0	107.9	L1054 P1055 V1059 E1123 I1124 A1125	L1054-I1117 HydrophobicContact CB-CD1 4.08Å; L1054-I1117 HydrophobicContact CD1-CD1 4.37Å; L1054-I1117 HydrophobicContact CD2-CD1 4.04Å; L1054-I1117 HydrophobicContact CG-CD1 4.38Å; P1055-I1117 HydrophobicContact CG-CD1 3.92Å; P1055-I1117 HydrophobicContact CG-CG2 4.45Å; V1059-I1117 HydrophobicContact CG2-CG1 4.42Å; V1059-I1117 HydrophobicContact CG2-CG2 4.11Å; I1117-E1123 CarbonylContact O-C 3.55Å; I1117-E1123 WeakPolarHBondContact O-CA 3.38Å; I1117-I1124 HydrophobicContact CB-CG1 4.07Å; I1117-I1124 HydrophobicContact CG2-CD1 3.91Å; I1117-I1124 HydrophobicContact CG2-CG1 3.93Å; I1117-I1124 VanDerWaalsContact O-CG1 3.31Å; I1117-I1124 WeakPolarHBondContact O-CG1 3.12Å; I1117-I1124 PolarHBondContact O-N 2.85Å; I1117-A1125 HydrophobicContact CB-CB 3.91Å; I1117-A1125 HydrophobicContact CD1-CB 3.78Å; I1117-A1125 HydrophobicContact CG1-CB 3.96Å; I1117-A1125 PolarHBondContact N-O 3.08Å; I1117-A1125 PolarHBondContact O-N 3.26Å
1118	S	79.4	Confident	74.9	Confident	7 Å²	7	45.6 Å²	45.6	5%	0.049	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.5	-174.2	47.1	0	0	0	0	112	G1057 V1058 R1060 V1122	G1057-S1118 CarbonylContact C-O 3.5Å; G1057-S1118 VanDerWaalsContact CA-O 3.24Å; G1057-S1118 WeakPolarHBondContact CA-O 3.49Å; V1058-S1118 PolarHBondContact N-O 2.74Å; V1058-S1118 PolarHBondContact O-N 2.84Å; V1058-S1118 PolarHBondContact O-OG 2.97Å; R1060-S1118 PolarHBondContact NH1-OG 3.49Å; S1118-V1122 CarbonylContact C-O 3.52Å; S1118-V1122 VanDerWaalsContact CA-O 3.23Å; S1118-V1122 WeakPolarHBondContact CA-O 3.39Å
1119	K	79.6	Confident	75	Confident	133 Å²	133	44.9 Å²	44.9	58%	0.578	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	100	179.4	-172.9	174.5	-179.1	174.8	0	108.8	V1122 I1124	K1119-V1122 PolarHBondContact N-O 3.31Å; K1119-I1124 HydrophobicContact CB-CD1 4.31Å; K1119-I1124 HydrophobicContact CB-CG2 3.87Å
1120	G	78.6	Confident	74.9	Confident	62 Å²	62	48.4 Å²	48.4	64%	0.639	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-143.1	-154.8	0	0	0	0	0	109.4	V1122	G1120-V1122 VanDerWaalsContact C-N 3.25Å; G1120-V1122 PolarHBondContact O-N 3.37Å
1121	D	77.5	Confident	75.1	Confident	175 Å²	175	46.6 Å²	46.6	94%	0.936	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-1.2	-179.8	-53.3	-64.9	0	0	0	114.1
1122	V	77.2	Confident	75	Confident	96 Å²	96	49.2 Å²	49.2	58%	0.582	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.4	-179.3	-176.9	0	0	0	0	110.7	S1118 K1119 G1120 I1124	S1118-V1122 CarbonylContact C-O 3.52Å; S1118-V1122 VanDerWaalsContact CA-O 3.23Å; S1118-V1122 WeakPolarHBondContact CA-O 3.39Å; K1119-V1122 PolarHBondContact N-O 3.31Å; G1120-V1122 VanDerWaalsContact C-N 3.25Å; G1120-V1122 PolarHBondContact O-N 3.37Å; V1122-I1124 HydrophobicContact CG1-CG2 4.46Å; V1122-I1124 PolarHBondContact O-N 2.6Å
1123	E	76.8	Confident	75	Confident	101 Å²	101	48.8 Å²	48.8	47%	0.472	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	113.5	165.9	-176.6	161.6	-146.8	0	0	109.4	T1116 I1117 H1126	T1116-E1123 WeakPolarHBondContact CB-OE1 3.47Å; T1116-E1123 HydrophobicContact CG2-CG 4.16Å; T1116-E1123 WeakPolarHBondContact CG2-OE1 3.35Å; T1116-E1123 PolarHBondContact OG1-OE1 2.81Å; I1117-E1123 CarbonylContact O-C 3.55Å; I1117-E1123 WeakPolarHBondContact O-CA 3.38Å; E1123-H1126 WeakPolarHBondContact OE1-CB 3.48Å; E1123-H1126 IonicContact OE1-CG 3.07Å
1124	I	79.8	Confident	74.8	Confident	75 Å²	75	50.7 Å²	50.7	39%	0.385	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-15.7	-179.6	58.3	164.7	0	0	0	112.6	P1055 I1117 K1119 V1122	P1055-I1124 HydrophobicContact CB-CD1 4.27Å; P1055-I1124 HydrophobicContact CG-CD1 4.2Å; I1117-I1124 HydrophobicContact CB-CG1 4.07Å; I1117-I1124 HydrophobicContact CG2-CD1 3.91Å; I1117-I1124 HydrophobicContact CG2-CG1 3.93Å; I1117-I1124 VanDerWaalsContact O-CG1 3.31Å; I1117-I1124 WeakPolarHBondContact O-CG1 3.12Å; I1117-I1124 PolarHBondContact O-N 2.85Å; K1119-I1124 HydrophobicContact CB-CD1 4.31Å; K1119-I1124 HydrophobicContact CB-CG2 3.87Å; V1122-I1124 HydrophobicContact CG1-CG2 4.46Å; V1122-I1124 PolarHBondContact O-N 2.6Å
1125	A	70.3	Confident	74.7	Confident	14 Å²	14	50.2 Å²	50.2	12%	0.116	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	134.9	-174.3	0	0	0	0	0	111.7	I1026 I1117	I1026-A1125 HydrophobicContact CD1-CB 3.27Å; I1026-A1125 HydrophobicContact CG1-CB 3.61Å; I1117-A1125 HydrophobicContact CB-CB 3.91Å; I1117-A1125 HydrophobicContact CD1-CB 3.78Å; I1117-A1125 HydrophobicContact CG1-CB 3.96Å; I1117-A1125 PolarHBondContact N-O 3.08Å; I1117-A1125 PolarHBondContact O-N 3.26Å
1126	H	74.2	Confident	74.2	Confident	86 Å²	86	51.7 Å²	51.7	40%	0.398	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.8	170.3	179.5	-121.9	0	0	0	111.8	I1026 H1114 V1115 T1116 E1123	I1026-H1126 VanDerWaalsContact CD1-C 3.41Å; I1026-H1126 VanDerWaalsContact CD1-O 3.24Å; I1026-H1126 WeakPolarHBondContact CD1-O 3.15Å; H1114-H1126 AromaticContact CG-NE2 3.83Å; H1114-H1126 AromaticContact ND1-CE1 3.64Å; H1114-H1126 AromaticContact ND1-NE2 3.23Å; H1114-H1126 PolarHBondContact ND1-NE2 3.33Å; V1115-H1126 CarbonylContact O-C 3.25Å; V1115-H1126 WeakPolarHBondContact O-CA 3.44Å; T1116-H1126 PolarHBondContact OG1-CD2 2.98Å; E1123-H1126 WeakPolarHBondContact OE1-CB 3.48Å; E1123-H1126 IonicContact OE1-CG 3.07Å
1127	A	70.4	Confident	73.6	Confident	12 Å²	12	52.6 Å²	52.6	10%	0.099	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	163.3	172.1	0	0	0	0	0	112.5	I1026 H1114 V1115	I1026-A1127 HydrophobicContact CB-CB 4.14Å; I1026-A1127 HydrophobicContact CD1-CB 4.15Å; I1026-A1127 HydrophobicContact CG2-CB 3.59Å; H1114-A1127 WeakPolarHBondContact CA-O 3.24Å; V1115-A1127 PolarHBondContact N-O 3.01Å; V1115-A1127 PolarHBondContact O-N 3.12Å
1128	I	69.1	Low	73	Confident	69 Å²	69	53.2 Å²	53.2	35%	0.354	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.5	175.6	-50	176	0	0	0	108.5	V1113	V1113-I1128 WeakPolarHBondContact O-CA 3.42Å
1129	T	70.2	Confident	72	Confident	14 Å²	14	56.5 Å²	56.5	9%	0.086	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	150.9	161.2	160.6	0	0	0	0	109.5	M1029 D1030 S1112 V1113	M1029-T1129 VanDerWaalsContact CB-CB 3.5Å; M1029-T1129 HydrophobicContact CB-CG2 3.8Å; M1029-T1129 VanDerWaalsContact O-CA 3.28Å; M1029-T1129 WeakPolarHBondContact O-CA 3.26Å; M1029-T1129 WeakPolarHBondContact O-CB 3.28Å; M1029-T1129 PolarHBondContact O-OG1 2.9Å; D1030-T1129 PolarHBondContact O-OG1 3.06Å; S1112-T1129 CarbonylContact C-O 3.6Å; S1112-T1129 WeakPolarHBondContact CA-O 3.31Å; V1113-T1129 HydrophobicContact CB-CG2 3.6Å; V1113-T1129 HydrophobicContact CG2-CG2 3.83Å; V1113-T1129 PolarHBondContact N-O 2.79Å; V1113-T1129 PolarHBondContact O-N 2.03Å
1130	K	70.6	Confident	71.2	Confident	78 Å²	78	54 Å²	54	34%	0.339	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.1	166.6	-67.2	179	177.8	178.9	0	110.8	D1031 L1032 L1110 I1111 Y1132	D1031-K1130 CarbonylContact C-O 3.4Å; D1031-K1130 WeakPolarHBondContact CA-O 3.47Å; L1032-K1130 PolarHBondContact N-O 3.22Å; L1110-K1130 HydrophobicContact CD1-CB 3.67Å; L1110-K1130 HydrophobicContact CD1-CD 3.96Å; L1110-K1130 HydrophobicContact CD1-CG 3.87Å; L1110-K1130 HydrophobicContact CD2-CD 4.46Å; I1111-K1130 CarbonylContact O-C 3.59Å; I1111-K1130 WeakPolarHBondContact O-CA 3.24Å; K1130-Y1132 HydrophobicContact CB-CD2 4.35Å; K1130-Y1132 HydrophobicContact CB-CE2 3.73Å; K1130-Y1132 HydrophobicContact CD-CE2 4.28Å; K1130-Y1132 VanDerWaalsContact CD-OH 3.25Å; K1130-Y1132 WeakPolarHBondContact CD-OH 3.39Å
1131	L	73.5	Confident	70.4	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.7	176.4	175.8	69.5	0	0	0	107.5	L1032 I1034 L1046 A1047 V1097 I1111 L1133	L1032-L1131 HydrophobicContact CB-CD1 3.91Å; L1032-L1131 HydrophobicContact CD2-CD1 3.77Å; L1032-L1131 HydrophobicContact CG-CD1 4.3Å; L1032-L1131 CarbonylContact O-C 3.53Å; L1032-L1131 WeakPolarHBondContact O-CA 3.43Å; I1034-L1131 HydrophobicContact CD1-CD1 3.69Å; I1034-L1131 HydrophobicContact CG1-CD1 4.03Å; L1046-L1131 HydrophobicContact CB-CD2 4.19Å; L1046-L1131 HydrophobicContact CD1-CD2 4.27Å; A1047-L1131 HydrophobicContact CB-CD1 4.47Å; V1097-L1131 HydrophobicContact CG1-CD2 3.98Å; I1111-L1131 HydrophobicContact CB-CB 4.19Å; I1111-L1131 HydrophobicContact CD1-CD2 3.9Å; I1111-L1131 HydrophobicContact CD1-CG 4.35Å; I1111-L1131 PolarHBondContact N-O 3.31Å; I1111-L1131 PolarHBondContact O-N 2.86Å; L1131-L1133 HydrophobicContact CD1-CD1 4.08Å; L1131-L1133 HydrophobicContact CD2-CD1 4.08Å; L1131-L1133 HydrophobicContact CG-CD1 3.72Å
1132	Y	72.1	Confident	69.5	Low	55 Å²	55	48.5 Å²	48.5	22%	0.216	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.9	179.9	-59.2	-96.9	0	0	0	109.3	D1031 L1032 F1033 I1034 I1109 L1110 K1130	D1031-Y1132 HydrophobicContact CB-CE2 4.03Å; D1031-Y1132 VanDerWaalsContact OD2-CE2 3.25Å; D1031-Y1132 WeakPolarHBondContact OD2-CE2 3.38Å; D1031-Y1132 PolarHBondContact OD2-OH 3.03Å; L1032-Y1132 PolarHBondContact O-N 2.85Å; F1033-Y1132 CarbonylContact C-O 3.58Å; F1033-Y1132 WeakPolarHBondContact CA-O 3.17Å; F1033-Y1132 AromaticContact CD1-CD2 3.93Å; F1033-Y1132 HydrophobicContact CD1-CD2 3.93Å; F1033-Y1132 AromaticContact CD1-CG 3.87Å; F1033-Y1132 HydrophobicContact CD1-CG 3.87Å; F1033-Y1132 HydrophobicContact CE1-CD1 4.18Å; F1033-Y1132 AromaticContact CE1-CD2 3.57Å; F1033-Y1132 HydrophobicContact CE1-CD2 3.57Å; F1033-Y1132 HydrophobicContact CE1-CE2 4.12Å; F1033-Y1132 AromaticContact CE1-CG 3.61Å; F1033-Y1132 HydrophobicContact CE1-CG 3.61Å; F1033-Y1132 HydrophobicContact CE2-CD2 4.3Å; F1033-Y1132 HydrophobicContact CG-CD2 4.44Å; F1033-Y1132 AromaticContact CZ-CD2 3.78Å; F1033-Y1132 HydrophobicContact CZ-CD2 3.78Å; F1033-Y1132 AromaticContact CZ-CE2 3.94Å; F1033-Y1132 HydrophobicContact CZ-CE2 3.94Å; F1033-Y1132 HydrophobicContact CZ-CG 4.27Å; I1034-Y1132 PolarHBondContact N-O 3.49Å; I1109-Y1132 CarbonylContact O-C 3.5Å; I1109-Y1132 WeakPolarHBondContact O-CA 3.47Å; L1110-Y1132 HydrophobicContact CB-CD1 4.47Å; L1110-Y1132 HydrophobicContact CD1-CD1 3.93Å; L1110-Y1132 HydrophobicContact CD1-CE1 3.77Å; L1110-Y1132 HydrophobicContact CD1-CE2 4.4Å; L1110-Y1132 HydrophobicContact CD1-CG 4.33Å; L1110-Y1132 HydrophobicContact CD2-CE1 4.25Å; L1110-Y1132 HydrophobicContact CG-CE1 4.44Å; K1130-Y1132 HydrophobicContact CB-CD2 4.35Å; K1130-Y1132 HydrophobicContact CB-CE2 3.73Å; K1130-Y1132 HydrophobicContact CD-CE2 4.28Å; K1130-Y1132 VanDerWaalsContact CD-OH 3.25Å; K1130-Y1132 WeakPolarHBondContact CD-OH 3.39Å
1133	L	72.6	Confident	68.6	Low	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.1	173.2	-100.6	66.2	0	0	0	110.1	I1034 L1036 L1046 F1083 L1103 N1108 I1109 I1111 L1131	I1034-L1133 HydrophobicContact CB-CD1 3.97Å; I1034-L1133 HydrophobicContact CB-CG 4.35Å; I1034-L1133 HydrophobicContact CD1-CD1 4.29Å; I1034-L1133 HydrophobicContact CG1-CD1 4.45Å; I1034-L1133 HydrophobicContact CG2-CD1 4.48Å; I1034-L1133 CarbonylContact O-C 3.56Å; I1034-L1133 WeakPolarHBondContact O-CA 3.49Å; L1036-L1133 HydrophobicContact CD1-CD2 3.61Å; L1036-L1133 HydrophobicContact CD1-CG 4.13Å; L1036-L1133 HydrophobicContact CG-CD2 4.49Å; L1046-L1133 HydrophobicContact CD1-CD1 4.18Å; L1046-L1133 HydrophobicContact CD1-CD2 3.92Å; L1046-L1133 HydrophobicContact CD2-CD2 4.27Å; F1083-L1133 HydrophobicContact CE1-CD2 3.88Å; F1083-L1133 HydrophobicContact CZ-CD2 4.28Å; L1103-L1133 HydrophobicContact CD1-CD2 4.1Å; N1108-L1133 CarbonylContact C-O 3.53Å; N1108-L1133 WeakPolarHBondContact CA-O 3.48Å; I1109-L1133 HydrophobicContact CB-CB 4.04Å; I1109-L1133 HydrophobicContact CD1-CB 4.36Å; I1109-L1133 HydrophobicContact CG1-CB 4.49Å; I1109-L1133 PolarHBondContact N-O 2.84Å; I1109-L1133 PolarHBondContact O-N 3.47Å; I1111-L1133 HydrophobicContact CD1-CD1 4.38Å; L1131-L1133 HydrophobicContact CD1-CD1 4.08Å; L1131-L1133 HydrophobicContact CD2-CD1 4.08Å; L1131-L1133 HydrophobicContact CG-CD1 3.72Å
1134	F	72.1	Confident	67.8	Low	43 Å²	43	49.2 Å²	49.2	19%	0.189	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.4	162.6	-59.2	-79.4	0	0	0	108.4	F1033 I1034 E1035 L1036 N1108	F1033-F1134 AromaticContact CD1-CE2 3.95Å; F1033-F1134 HydrophobicContact CD1-CE2 3.95Å; F1033-F1134 HydrophobicContact CD1-CZ 4.42Å; I1034-F1134 PolarHBondContact O-N 3.33Å; E1035-F1134 CarbonylContact C-O 3.51Å; E1035-F1134 WeakPolarHBondContact CA-O 3.36Å; E1035-F1134 HydrophobicContact CB-CB 4.46Å; E1035-F1134 HydrophobicContact CG-CB 4.11Å; L1036-F1134 PolarHBondContact N-O 2.76Å; N1108-F1134 HydrophobicContact CB-CD1 4.24Å; N1108-F1134 HydrophobicContact CB-CE1 4.43Å; N1108-F1134 WeakPolarHBondContact OD1-CD1 3.05Å
1135	V	72.6	Confident	66.6	Low	6 Å²	6	48.8 Å²	48.8	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.6	176	-165.6	0	0	0	0	109.1	L1036 Q1038 L1103 A1105 P1106 M1107 I1109	L1036-V1135 CarbonylContact O-C 3.5Å; L1036-V1135 VanDerWaalsContact O-CA 3.29Å; L1036-V1135 WeakPolarHBondContact O-CA 2.88Å; Q1038-V1135 HydrophobicContact CB-CG1 4.46Å; L1103-V1135 HydrophobicContact CB-CG1 4.19Å; L1103-V1135 HydrophobicContact CB-CG2 3.95Å; L1103-V1135 HydrophobicContact CD1-CG2 3.96Å; A1105-V1135 HydrophobicContact CB-CB 4.47Å; A1105-V1135 HydrophobicContact CB-CG1 4.02Å; P1106-V1135 VanDerWaalsContact CA-O 3.32Å; P1106-V1135 WeakPolarHBondContact CA-O 3.34Å; M1107-V1135 HydrophobicContact CB-CB 4.44Å; M1107-V1135 PolarHBondContact N-O 2.72Å; M1107-V1135 WeakPolarHBondContact O-CG2 3.48Å; M1107-V1135 PolarHBondContact O-N 2.82Å; I1109-V1135 HydrophobicContact CD1-CG2 4.09Å
1136	T	67	Low	65.6	Low	33 Å²	33	49.5 Å²	49.5	20%	0.202	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	147.4	-176.3	57.2	0	0	0	0	112.1	L984 E1035 L1036 Q1038 A1105	L984-T1136 HydrophobicContact CD1-CG2 4.36Å; E1035-T1136 HydrophobicContact CG-CG2 4.4Å; L1036-T1136 PolarHBondContact O-N 3.48Å; L1036-T1136 PolarHBondContact O-OG1 2.86Å; Q1038-T1136 WeakPolarHBondContact CB-O 2.97Å; Q1038-T1136 PolarHBondContact N-O 2.89Å; A1105-T1136 VanDerWaalsContact CB-C 3.49Å; A1105-T1136 WeakPolarHBondContact CB-O 3.49Å
1137	Q	64.1	Low	64.3	Low	42 Å²	42	51.8 Å²	51.8	20%	0.196	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-74.8	134.8	-178.4	-80.5	-175	-29	0	0	112.2	A1105 R1142	A1105-Q1137 VanDerWaalsContact C-CG 3.42Å; A1105-Q1137 HydrophobicContact CB-CB 4.29Å; A1105-Q1137 HydrophobicContact CB-CG 3.63Å; A1105-Q1137 WeakPolarHBondContact O-CG 3.38Å; A1105-Q1137 PolarHBondContact O-NE2 3.21Å; Q1137-R1142 HydrophobicContact CB-CG 4.05Å; Q1137-R1142 PolarHBondContact O-NE 3.27Å; Q1137-R1142 PolarHBondContact O-NH2 3.46Å
1138	S	64.8	Low	63.4	Low	13 Å²	13	57 Å²	57	9%	0.091	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.4	152.8	174.6	81.9	0	0	0	0	112	D1039 S1140 E1141 R1142	D1039-S1138 WeakPolarHBondContact OD2-CB 3.37Å; D1039-S1138 PolarHBondContact OD2-OG 2.93Å; S1138-S1140 PolarHBondContact O-N 3.29Å; S1138-E1141 PolarHBondContact O-N 2.8Å; S1138-E1141 VanDerWaalsContact O-N 3.09Å; S1138-R1142 PolarHBondContact O-N 2.69Å
1139	F	59.4	Low	62	Low	75 Å²	75	57.4 Å²	57.4	33%	0.329	28%	0.283	S	S	.	.	H	α-helix	trans	-54.5	-38.1	-175.4	177.8	-113.2	0	0	0	112.8	F948 M985 R1142 L1143	F948-F1139 HydrophobicContact CD1-CE2 4.25Å; F948-F1139 AromaticContact CE1-CD2 3.96Å; F948-F1139 HydrophobicContact CE1-CD2 3.96Å; F948-F1139 AromaticContact CE1-CE2 3.58Å; F948-F1139 HydrophobicContact CE1-CE2 3.58Å; F948-F1139 HydrophobicContact CE2-CE2 4.39Å; F948-F1139 AromaticContact CZ-CD2 3.68Å; F948-F1139 HydrophobicContact CZ-CD2 3.68Å; F948-F1139 AromaticContact CZ-CE2 3.66Å; F948-F1139 HydrophobicContact CZ-CE2 3.66Å; M985-F1139 HydrophobicContact CE-CB 4.27Å; M985-F1139 HydrophobicContact CE-CD2 3.86Å; M985-F1139 HydrophobicContact CE-CE2 4.35Å; M985-F1139 HydrophobicContact CE-CG 4.05Å; F1139-R1142 PolarHBondContact O-N 3.46Å; F1139-L1143 HydrophobicContact CD1-CD1 3.95Å; F1139-L1143 HydrophobicContact CD2-CD1 4.49Å; F1139-L1143 HydrophobicContact CE1-CD1 3.53Å; F1139-L1143 HydrophobicContact CE2-CD1 4.12Å; F1139-L1143 HydrophobicContact CG-CD1 4.42Å; F1139-L1143 HydrophobicContact CZ-CD1 3.63Å; F1139-L1143 PolarHBondContact O-N 3.04Å
1140	S	61.8	Low	60.5	Low	80 Å²	80	60.5 Å²	60.5	56%	0.559	30%	0.296	S	S	*	.	H	α-helix	trans	-71.9	-26.3	-179.9	-57.7	0	0	0	0	114.3	S1138	S1138-S1140 PolarHBondContact O-N 3.29Å
1141	E	61.6	Low	59	Low	77 Å²	77	66.6 Å²	66.6	36%	0.36	32%	0.317	S	S	.	.	H	α-helix	trans	-79.7	-38	172.6	-75.7	-153.6	171.4	0	0	112.1	Q1038 S1138 L1143 R1144 T1145	Q1038-E1141 PolarHBondContact NE2-OE1 2.8Å; Q1038-E1141 PolarHBondContact NE2-OE2 3.07Å; Q1038-E1141 PolarHBondContact OE1-OE2 2.86Å; S1138-E1141 PolarHBondContact O-N 2.8Å; S1138-E1141 VanDerWaalsContact O-N 3.09Å; E1141-L1143 VanDerWaalsContact C-N 3.3Å; E1141-L1143 PolarHBondContact O-N 3.29Å; E1141-R1144 CarbonylContact O-C 3.54Å; E1141-R1144 WeakPolarHBondContact O-CA 3.13Å; E1141-R1144 WeakPolarHBondContact O-CB 3.5Å; E1141-R1144 PolarHBondContact O-N 3.09Å; E1141-T1145 PolarHBondContact O-N 3.33Å; E1141-T1145 PolarHBondContact O-OG1 2.9Å
1142	R	60	Low	57.2	Low	45 Å²	45	69.6 Å²	69.6	17%	0.17	35%	0.349	C	S	.	.	H	α-helix	trans	-62.3	-36.6	175.2	-85	-175.8	-88.1	172.8	0.7	113.1	M985 G986 Q1137 S1138 F1139 R1144 T1145 S1146	M985-R1142 PolarHBondContact O-NH1 2.87Å; M985-R1142 PolarHBondContact O-NH2 3.31Å; G986-R1142 VanDerWaalsContact C-NH1 3.31Å; G986-R1142 PolarHBondContact O-NH1 3.01Å; Q1137-R1142 HydrophobicContact CB-CG 4.05Å; Q1137-R1142 PolarHBondContact O-NE 3.27Å; Q1137-R1142 PolarHBondContact O-NH2 3.46Å; S1138-R1142 PolarHBondContact O-N 2.69Å; F1139-R1142 PolarHBondContact O-N 3.46Å; R1142-R1144 PolarHBondContact O-N 2.98Å; R1142-T1145 WeakPolarHBondContact CA-OG1 3.49Å; R1142-T1145 PolarHBondContact O-N 2.77Å; R1142-T1145 PolarHBondContact O-OG1 3.33Å; R1142-S1146 PolarHBondContact O-N 2.83Å; R1142-S1146 PolarHBondContact O-OG 3.3Å
1143	L	56.9	Low	55.6	Low	40 Å²	40	73.8 Å²	73.8	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-19.2	169.9	-79.3	166.6	0	0	0	114.4	P945 F1139 E1141 R1147	P945-L1143 HydrophobicContact CG-CD2 3.7Å; F1139-L1143 HydrophobicContact CD1-CD1 3.95Å; F1139-L1143 HydrophobicContact CD2-CD1 4.49Å; F1139-L1143 HydrophobicContact CE1-CD1 3.53Å; F1139-L1143 HydrophobicContact CE2-CD1 4.12Å; F1139-L1143 HydrophobicContact CG-CD1 4.42Å; F1139-L1143 HydrophobicContact CZ-CD1 3.63Å; F1139-L1143 PolarHBondContact O-N 3.04Å; E1141-L1143 VanDerWaalsContact C-N 3.3Å; E1141-L1143 PolarHBondContact O-N 3.29Å; L1143-R1147 WeakPolarHBondContact O-CD 3.07Å; L1143-R1147 VanDerWaalsContact O-CG 3.32Å; L1143-R1147 WeakPolarHBondContact O-CG 3.46Å
1144	R	60.9	Low	53.7	Low	172 Å²	172	83.2 Å²	83.2	65%	0.649	42%	0.421	S	S	*	.	H	α-helix	trans	-88.6	-41.2	172.8	-78.5	177.4	167.6	173.5	-2.7	112.1	E1141 R1142 S1146 R1147 I1148	E1141-R1144 CarbonylContact O-C 3.54Å; E1141-R1144 WeakPolarHBondContact O-CA 3.13Å; E1141-R1144 WeakPolarHBondContact O-CB 3.5Å; E1141-R1144 PolarHBondContact O-N 3.09Å; R1142-R1144 PolarHBondContact O-N 2.98Å; R1144-S1146 PolarHBondContact O-N 3.17Å; R1144-R1147 PolarHBondContact O-N 2.68Å; R1144-I1148 WeakPolarHBondContact O-CG1 3.23Å; R1144-I1148 PolarHBondContact O-N 2.72Å
1145	T	55.2	Low	52.7	Low	67 Å²	67	85.2 Å²	85.2	41%	0.411	43%	0.433	S	S	.	.	H	α-helix	trans	-66	-36.7	-178.1	50	0	0	0	0	112.2	E1141 R1142 I1148 S1149	E1141-T1145 PolarHBondContact O-N 3.33Å; E1141-T1145 PolarHBondContact O-OG1 2.9Å; R1142-T1145 WeakPolarHBondContact CA-OG1 3.49Å; R1142-T1145 PolarHBondContact O-N 2.77Å; R1142-T1145 PolarHBondContact O-OG1 3.33Å; T1145-I1148 PolarHBondContact O-N 2.87Å; T1145-S1149 WeakPolarHBondContact O-CB 3.48Å; T1145-S1149 PolarHBondContact O-N 3.07Å
1146	S	48.9	Very low	51.7	Low	28 Å²	28	89.4 Å²	89.4	20%	0.196	45%	0.454	C	S	.	.	H	α-helix	trans	-62.7	-47	172.4	58.5	0	0	0	0	112.3	R1142 R1144 I1148 S1149 Q1150	R1142-S1146 PolarHBondContact O-N 2.83Å; R1142-S1146 PolarHBondContact O-OG 3.3Å; R1144-S1146 PolarHBondContact O-N 3.17Å; S1146-I1148 PolarHBondContact O-N 2.8Å; S1146-S1149 PolarHBondContact O-N 3.1Å; S1146-Q1150 PolarHBondContact O-N 3.43Å
1147	R	47	Very low	50.8	Low	135 Å²	135	92.5 Å²	92.5	51%	0.509	47%	0.468	S	S	.	.	H	α-helix	trans	-60.2	-27.6	175.4	-73.5	179.2	-179.5	-149.6	-2.4	113.9	S931 L932 L1143 R1144	S931-R1147 PolarHBondContact O-NH2 2.04Å; L932-R1147 HydrophobicContact CD1-CG 3.84Å; L1143-R1147 WeakPolarHBondContact O-CD 3.07Å; L1143-R1147 VanDerWaalsContact O-CG 3.32Å; L1143-R1147 WeakPolarHBondContact O-CG 3.46Å; R1144-R1147 PolarHBondContact O-N 2.68Å
1148	I	50.7	Low	50.1	Low	121 Å²	121	95.5 Å²	95.5	62%	0.621	48%	0.484	S	S	*	.	H	α-helix	trans	-82.9	-43	175.4	-67.6	164.7	0	0	0	110.7	R1144 T1145 S1146 Q1150 R1151	R1144-I1148 WeakPolarHBondContact O-CG1 3.23Å; R1144-I1148 PolarHBondContact O-N 2.72Å; T1145-I1148 PolarHBondContact O-N 2.87Å; S1146-I1148 PolarHBondContact O-N 2.8Å; I1148-Q1150 VanDerWaalsContact C-N 3.32Å; I1148-Q1150 PolarHBondContact O-N 3.07Å; I1148-R1151 PolarHBondContact O-N 2.9Å; I1148-R1151 VanDerWaalsContact O-N 3.13Å
1149	S	39.9	Very low	49.1	Very low	78 Å²	78	100.6 Å²	100.6	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-33.7	-176	-163.2	0	0	0	0	113.5	T1145 S1146 G1152	T1145-S1149 WeakPolarHBondContact O-CB 3.48Å; T1145-S1149 PolarHBondContact O-N 3.07Å; S1146-S1149 PolarHBondContact O-N 3.1Å; S1149-G1152 PolarHBondContact O-N 3.23Å
1150	Q	38.2	Very low	48.5	Very low	78 Å²	78	102.3 Å²	102.3	36%	0.364	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-75.8	-26.2	176	-70.8	-175.9	-16.8	0	0	113	S1146 I1148 G1152 I1153 I1154	S1146-Q1150 PolarHBondContact O-N 3.43Å; I1148-Q1150 VanDerWaalsContact C-N 3.32Å; I1148-Q1150 PolarHBondContact O-N 3.07Å; Q1150-G1152 PolarHBondContact O-N 2.74Å; Q1150-I1153 PolarHBondContact O-N 2.8Å; Q1150-I1154 PolarHBondContact O-N 3.46Å
1151	R	40.3	Very low	47.5	Very low	207 Å²	207	103.9 Å²	103.9	78%	0.781	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-76.1	9.6	172.7	-77.4	-172.9	170.1	-161.2	-3.2	114.5	I1148	I1148-R1151 PolarHBondContact O-N 2.9Å; I1148-R1151 VanDerWaalsContact O-N 3.13Å
1152	G	35.8	Very low	46.4	Very low	66 Å²	66	106 Å²	106	68%	0.68	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-122	12	168.3	0	0	0	0	0	113.3	S1149 Q1150	S1149-G1152 PolarHBondContact O-N 3.23Å; Q1150-G1152 PolarHBondContact O-N 2.74Å
1153	I	36.8	Very low	45.3	Very low	143 Å²	143	111.1 Å²	111.1	73%	0.733	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	-11.3	179.1	-61.2	175.1	0	0	0	110.7	Q1150	Q1150-I1153 PolarHBondContact O-N 2.8Å
1154	I	32.8	Very low	44.2	Very low	198 Å²	198	117.5 Å²	117.5	100%	1.015	59%	0.591	S	S	*	*			trans	-103.6	0	161.7	-50	168.9	0	0	0	107.1	Q1150	Q1150-I1154 PolarHBondContact O-N 3.46Å

Retrieved 1,154 of 1,154 residues in 1318.7 ms (Link to these results)

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