A0A077Z2W6_TRITR Loading...

Ig 2 and I-set and fn3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2W6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,198 aa.

						>A0A077Z2W6_TRITR|A0A077Z2W6
MHERGCRPLPLLIVLLQSLLSMLGAKLINSPPKLELESPRQVWFHIPTSGQPQKFTLKCHASGDPERYQWFKNGIPFNVDGQRIVWQRPGQSGSITFLQPQVDDKGYYQCSVSNIFGVAMSHIFDVKIGVLNHFERSPIRDVMVVEGQPLTLRCNKPYGMPPPTIFWLYRDMKKSYAMDSISRRHITADGDGNLQFAYVDPLDANENLVYQCAATSPVLHGEYRAGDEFRLVLTNTNGRKSTSVKKLWTSPKKTMLAAGSDLELTCIFSGRPAPLIQWSKKEGELPNNRISRKNYGKTLVVHGVNRADQGTYVCDAEGLAQHEMTVEVSNAPQWVNGPPTDLSLPEESNAELHCRVYGDPAPIVRWYINGQRITDFSADSRRLVSASGETLTILNLNHDIDTAVYQCNASNPLGYIFANAFINVFAHAPRFLTDESQTIATVVGSDVDLDCNVEAAPKAAVNWTDDKERQITADRERFQILSNHSLRLLNVDMSDAGLYICNVNNKYGLNHAKRKLEVYTHTRLVTELKPRRAVIEAGSKFHLVCEAEADGRLTLDYQWYHNTTRIAEAGSQSYRFPQPNRLVITDPRGRHHGDYICVARTKVDSVSSEMTLIVKDVPESPKVLSVECNDRQALIRWAEAYENFESITKYKVEYATAFNRNLWTKTVEEEKTNQKTYEAIINLSPWVNYTFRVIATNRRGDSEPAYSNSTCTTPPSFPYTNPKNVSAAGTEKDNIVIYWQPMNKEDWNGERFRYLVRYRLDEPGAKWEEFEVEDPLENHTVIRDQPTFRRYVVQVQAVNSIGLSLVEPNLVIGYSGEDTPTASPKNVKISEVINSTTVVVEWDPVDADSIKGHFIGYKISVWPIGREGAKQNQKKPLQIIAFHADRSASISGLEPMSTYKLTVLAFNSEHDGPQSDILYFTTPEGTPSAVLALTVNSIGSTTIVSSWQAPETPQGRLRGYFLSFKRLDENEKEEETWVPYPRSSYMYEVAKPSTNYEVSVWGETGGGEGEKSSAVVRTWPIQDPAKPDMRVELSGSNSAQVTWLPSDSGMPGTAFYVNYSKLGTDVWQSSEMLTFPTKQVLIRDLEPNKDYVVHVVSKDGDRITQSDAQYFHTVNTTVLQEEVTVEQSLTAVAWFIAVVSAGSIIIILLVVMYIVHRTRGGKYSVKEKELERGTNPDLDEERTFIEYQFGTGCSDVAP
					

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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	37	Very low	39.6	Very low	242 Å²	242	158.5 Å²	158.5	100%	1.192	82%	0.824	S	S	*	*				0	162	0	-68.6	168.6	174	0	0	108.1
2	H	36.5	Very low	40	Very low	168 Å²	168	156.2 Å²	156.2	78%	0.778	81%	0.812	S	S	*	*			trans	-35.8	144.6	-178.3	-60.4	-77.9	0	0	0	115.6
3	E	40.5	Very low	40.8	Very low	172 Å²	172	153.8 Å²	153.8	80%	0.804	80%	0.799	S	S	*	*			cis	-158	-178.3	-9.8	-152.4	134.2	-100.2	0	0	110.1
4	R	39.1	Very low	41.3	Very low	250 Å²	250	150.1 Å²	150.1	94%	0.943	79%	0.787	S	S	*	*			trans	-117.4	135.9	-178.9	-65.6	177.5	176.5	171.6	-2.2	112.1
5	G	38.3	Very low	41.7	Very low	78 Å²	78	146 Å²	146	80%	0.804	77%	0.765	S	S	*	*			trans	-165.5	145.3	171.9	0	0	0	0	0	112.4
6	C	38.3	Very low	42	Very low	137 Å²	137	143.4 Å²	143.4	93%	0.926	75%	0.752	S	S	*	*			trans	-102.2	165	-166.3	-71.8	0	0	0	0	115.5
7	R	37.2	Very low	42.1	Very low	213 Å²	213	143.6 Å²	143.6	80%	0.804	75%	0.748	S	S	*	*			trans	-70.4	161.8	166.9	-55.6	171.6	168.5	-177.7	-5.6	111	L9	R7-L9 HydrophobicContact CB-CD1 4.13Å
8	P	40.6	Very low	42	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	73%	0.727	S	S	*	*				-114.6	151.1	69.3	-0.5	22.4	0	0	0	112.4
9	L	39.6	Very low	42.1	Very low	130 Å²	130	136.8 Å²	136.8	68%	0.681	72%	0.717	S	S	*	*				69.5	137.5	61.2	-89.1	97.1	0	0	0	115.9	R7	R7-L9 HydrophobicContact CB-CD1 4.13Å
10	P	43.1	Very low	42.1	Very low	103 Å²	103	136.2 Å²	136.2	67%	0.669	71%	0.714	S	S	*	*			trans	-97.8	128.4	-160.5	36.2	-32.8	0	0	0	114.6
11	L	44.9	Very low	41.9	Very low	127 Å²	127	133.9 Å²	133.9	67%	0.665	71%	0.709	S	S	*	*			trans	-107.3	-31.6	167.3	-93.5	72.9	0	0	0	113.8	I13 V14 L15	L11-I13 PolarHBondContact O-N 2.68Å; L11-V14 PolarHBondContact O-N 2.74Å; L11-L15 HydrophobicContact CB-CD1 4.37Å; L11-L15 PolarHBondContact O-N 2.97Å; L11-L15 VanDerWaalsContact O-N 3.1Å
12	L	44.9	Very low	42	Very low	131 Å²	131	128.9 Å²	128.9	69%	0.686	68%	0.684	S	S	*	*	H	α-helix	trans	-65	-33.1	-162.9	-132.2	75	0	0	0	115.1	L16	L12-L16 PolarHBondContact O-N 3.08Å
13	I	50.3	Low	42.2	Very low	125 Å²	125	128.2 Å²	128.2	64%	0.641	69%	0.686	S	S	*	*	H	α-helix	trans	-76.5	-32.8	-179.6	-62.1	176.4	0	0	0	111.3	L11 Q17	L11-I13 PolarHBondContact O-N 2.68Å; I13-Q17 PolarHBondContact O-N 2.99Å
14	V	48	Very low	42	Very low	103 Å²	103	123.3 Å²	123.3	62%	0.624	68%	0.682	S	S	*	*	H	α-helix	trans	-68.1	-42.6	173.4	-177.3	0	0	0	0	110	L11 L16 Q17 S18	L11-V14 PolarHBondContact O-N 2.74Å; V14-L16 PolarHBondContact O-N 2.6Å; V14-Q17 PolarHBondContact O-N 2.95Å; V14-S18 PolarHBondContact O-N 2.96Å; V14-S18 PolarHBondContact O-OG 3.24Å
15	L	46.4	Very low	42.2	Very low	88 Å²	88	114.7 Å²	114.7	46%	0.461	66%	0.664	S	S	.	*	H	α-helix	trans	-57.1	-47.6	176	-79	163.5	0	0	0	112.2	L11 Q17 S18 L19	L11-L15 HydrophobicContact CB-CD1 4.37Å; L11-L15 PolarHBondContact O-N 2.97Å; L11-L15 VanDerWaalsContact O-N 3.1Å; L15-Q17 PolarHBondContact O-N 3.39Å; L15-S18 WeakPolarHBondContact CA-OG 3.19Å; L15-S18 PolarHBondContact O-N 3.06Å; L15-S18 PolarHBondContact O-OG 3.31Å; L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 2.93Å
16	L	46.8	Very low	42.9	Very low	105 Å²	105	117.8 Å²	117.8	55%	0.55	66%	0.655	S	S	.	*	H	α-helix	trans	-64.5	-34.8	177.9	-91.8	155	0	0	0	113.6	L12 V14 L20	L12-L16 PolarHBondContact O-N 3.08Å; V14-L16 PolarHBondContact O-N 2.6Å; L16-L20 WeakPolarHBondContact O-CD1 3.44Å; L16-L20 PolarHBondContact O-N 2.78Å
17	Q	44.5	Very low	43.8	Very low	147 Å²	147	117.6 Å²	117.6	69%	0.687	64%	0.644	S	S	*	*	H	α-helix	trans	-71.8	-36.4	172.8	-72.2	-170.5	-38.9	0	0	112.5	I13 V14 L15 S21	I13-Q17 PolarHBondContact O-N 2.99Å; V14-Q17 PolarHBondContact O-N 2.95Å; L15-Q17 PolarHBondContact O-N 3.39Å; Q17-S21 PolarHBondContact O-N 3.08Å; Q17-S21 PolarHBondContact O-OG 3.16Å
18	S	40.6	Very low	45.2	Very low	53 Å²	53	108.5 Å²	108.5	37%	0.371	61%	0.611	S	S	.	*	H	α-helix	trans	-67.7	-32.2	173.3	59.6	0	0	0	0	113.4	V14 L15 S21 M22	V14-S18 PolarHBondContact O-N 2.96Å; V14-S18 PolarHBondContact O-OG 3.24Å; L15-S18 WeakPolarHBondContact CA-OG 3.19Å; L15-S18 PolarHBondContact O-N 3.06Å; L15-S18 PolarHBondContact O-OG 3.31Å; S18-S21 WeakPolarHBondContact CA-OG 3.42Å; S18-S21 PolarHBondContact O-N 3.26Å; S18-S21 PolarHBondContact O-OG 3.39Å; S18-M22 WeakPolarHBondContact O-CG 3.45Å; S18-M22 PolarHBondContact O-N 2.86Å
19	L	43.6	Very low	46.9	Very low	104 Å²	104	108.5 Å²	108.5	55%	0.545	60%	0.604	S	S	.	*	H	α-helix	trans	-70.3	-33.9	177.8	-89.5	154.4	0	0	0	112.9	L15 M22	L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 2.93Å; L19-M22 PolarHBondContact O-N 2.95Å
20	L	41.2	Very low	49.1	Very low	125 Å²	125	104.9 Å²	104.9	65%	0.654	59%	0.59	S	S	*	*	H	α-helix	trans	-72.6	-26.9	173.1	-91.3	78.6	0	0	0	113.2	L16 M22	L16-L20 WeakPolarHBondContact O-CD1 3.44Å; L16-L20 PolarHBondContact O-N 2.78Å; L20-M22 VanDerWaalsContact C-N 3.28Å; L20-M22 PolarHBondContact O-N 3.36Å
21	S	38.2	Very low	51.2	Low	87 Å²	87	101.6 Å²	101.6	61%	0.608	57%	0.569	S	S	*	*	H	α-helix	trans	-71.5	-19.8	171	43.9	0	0	0	0	114.1	Q17 S18	Q17-S21 PolarHBondContact O-N 3.08Å; Q17-S21 PolarHBondContact O-OG 3.16Å; S18-S21 WeakPolarHBondContact CA-OG 3.42Å; S18-S21 PolarHBondContact O-N 3.26Å; S18-S21 PolarHBondContact O-OG 3.39Å
22	M	38.7	Very low	53.4	Low	137 Å²	137	95.8 Å²	95.8	68%	0.675	54%	0.539	S	S	*	.	H	α-helix	trans	-77.5	-22.2	177.7	-64.9	-76.5	-84.3	0	0	112.7	S18 L19 L20 G24 A25	S18-M22 WeakPolarHBondContact O-CG 3.45Å; S18-M22 PolarHBondContact O-N 2.86Å; L19-M22 PolarHBondContact O-N 2.95Å; L20-M22 VanDerWaalsContact C-N 3.28Å; L20-M22 PolarHBondContact O-N 3.36Å; M22-G24 PolarHBondContact O-N 2.93Å; M22-G24 VanDerWaalsContact O-N 3.16Å; M22-A25 PolarHBondContact O-N 3.12Å
23	L	40.4	Very low	55.5	Low	154 Å²	154	95.6 Å²	95.6	81%	0.806	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	11.3	-177.2	-73.3	164.6	0	0	0	114.7
24	G	36.8	Very low	57.3	Low	70 Å²	70	91.3 Å²	91.3	72%	0.722	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	8.3	170.7	0	0	0	0	0	113.8	M22 K26	M22-G24 PolarHBondContact O-N 2.93Å; M22-G24 VanDerWaalsContact O-N 3.16Å; G24-K26 PolarHBondContact O-N 2.99Å
25	A	43.8	Very low	59.1	Low	68 Å²	68	91.7 Å²	91.7	56%	0.562	51%	0.506	S	S	*	.			trans	-76.2	112.5	179.9	0	0	0	0	0	110.4	M22 L27	M22-A25 PolarHBondContact O-N 3.12Å; A25-L27 PolarHBondContact O-N 3.44Å
26	K	52.8	Low	60.9	Low	143 Å²	143	90.2 Å²	90.2	62%	0.622	50%	0.498	S	S	*	.			trans	-60.5	127.1	170.5	-168.3	-176.8	-175.5	-171.3	0	108.5	G24 I28 D64	G24-K26 PolarHBondContact O-N 2.99Å; K26-I28 PolarHBondContact O-N 2.76Å; K26-D64 WeakPolarHBondContact CE-OD2 3.41Å; K26-D64 IonicContact NZ-OD1 3.62Å; K26-D64 PolarHBondContact NZ-OD1 2.89Å; K26-D64 IonicContact NZ-OD2 3.82Å; K26-D64 PolarHBondContact NZ-OD2 2.83Å; K26-D64 VanDerWaalsContact NZ-OD2 3.12Å
27	L	57.5	Low	63	Low	133 Å²	133	88.1 Å²	88.1	70%	0.696	49%	0.485	S	S	*	.			trans	-73	98.2	-173.7	-152.6	76.8	0	0	0	110.6	A25 N29	A25-L27 PolarHBondContact O-N 3.44Å; L27-N29 WeakPolarHBondContact CD2-OD1 3.11Å; L27-N29 WeakPolarHBondContact CG-OD1 3.27Å; L27-N29 VanDerWaalsContact O-CG 3.29Å; L27-N29 PolarHBondContact O-N 3.01Å; L27-N29 PolarHBondContact O-ND2 2.82Å; L27-N29 PolarHBondContact O-OD1 2.95Å
28	I	66.3	Low	65.2	Low	23 Å²	23	81.4 Å²	81.4	12%	0.118	46%	0.455	C	S	.	.			trans	-74.8	110	179.8	-58.7	168.3	0	0	0	108.2	K26 D64 E66 N114 I115 F116	K26-I28 PolarHBondContact O-N 2.76Å; I28-D64 HydrophobicContact CG1-CB 4.11Å; I28-D64 HydrophobicContact CG2-CB 4.47Å; I28-E66 HydrophobicContact CD1-CG 3.51Å; I28-N114 HydrophobicContact CD1-CB 4.44Å; I28-N114 HydrophobicContact CG2-CB 4.13Å; I28-N114 WeakPolarHBondContact CG2-ND2 3.21Å; I28-I115 HydrophobicContact CB-CD1 3.97Å; I28-I115 HydrophobicContact CB-CG1 4.15Å; I28-I115 HydrophobicContact CD1-CG2 4.35Å; I28-I115 HydrophobicContact CG2-CD1 4.34Å; I28-I115 HydrophobicContact CG2-CG1 4.04Å; I28-F116 HydrophobicContact CG2-CD2 4.24Å; I28-F116 HydrophobicContact CG2-CE2 4.11Å; I28-F116 WeakPolarHBondContact O-CE2 3.37Å
29	N	77.1	Confident	67.4	Low	122 Å²	122	82.8 Å²	82.8	65%	0.652	46%	0.462	S	S	*	.			trans	-109.4	4.1	-168.4	-66.7	-30.7	0	0	0	114.6	L27	L27-N29 WeakPolarHBondContact CD2-OD1 3.11Å; L27-N29 WeakPolarHBondContact CG-OD1 3.27Å; L27-N29 VanDerWaalsContact O-CG 3.29Å; L27-N29 PolarHBondContact O-N 3.01Å; L27-N29 PolarHBondContact O-ND2 2.82Å; L27-N29 PolarHBondContact O-OD1 2.95Å
30	S	84.9	Confident	69.4	Low	55 Å²	55	82.7 Å²	82.7	39%	0.385	46%	0.455	S	S	.	.	S	Bend	trans	-155.1	155.7	-178.8	49.4	0	0	0	0	113.3	G63 N114 F116	S30-G63 WeakPolarHBondContact OG-CA 3.48Å; S30-N114 PolarHBondContact O-ND2 3.28Å; S30-F116 VanDerWaalsContact C-CD2 3.42Å; S30-F116 VanDerWaalsContact N-CE2 3.33Å; S30-F116 VanDerWaalsContact O-CD2 3.26Å; S30-F116 WeakPolarHBondContact O-CD2 3.41Å
31	P	87.8	Confident	71.6	Confident	33 Å²	33	81.5 Å²	81.5	21%	0.214	45%	0.445	C	S	.	.			trans	-66.3	156.9	176.9	29.9	-39.2	0	0	0	112.8	K33 F116 V404 F421	P31-K33 PolarHBondContact O-N 2.85Å; P31-F116 HydrophobicContact CB-CB 4.01Å; P31-V404 HydrophobicContact CB-CG2 4.25Å; P31-F421 HydrophobicContact CB-CB 4.21Å; P31-F421 HydrophobicContact CB-CD1 4.16Å; P31-F421 HydrophobicContact CB-CD2 3.78Å; P31-F421 HydrophobicContact CB-CE1 4.47Å; P31-F421 HydrophobicContact CB-CE2 4.17Å; P31-F421 HydrophobicContact CB-CG 3.8Å; P31-F421 HydrophobicContact CG-CB 3.95Å; P31-F421 HydrophobicContact CG-CD1 3.67Å; P31-F421 HydrophobicContact CG-CD2 4.19Å; P31-F421 HydrophobicContact CG-CE1 4.16Å; P31-F421 HydrophobicContact CG-CG 3.68Å
32	P	90.5	Very high	74.1	Confident	5 Å²	5	78 Å²	78	3%	0.032	42%	0.421	C	S	.	.			trans	-72.4	120.5	-176.3	30.1	-31.1	0	0	0	109.5	S62 V112 N114 A119 V404	P32-S62 WeakPolarHBondContact CA-O 3.34Å; P32-V112 HydrophobicContact CB-CB 4.48Å; P32-V112 HydrophobicContact CB-CG1 4.08Å; P32-N114 WeakPolarHBondContact CD-OD1 3.2Å; P32-A119 HydrophobicContact CB-CB 4.42Å; P32-A119 HydrophobicContact CG-CB 4.2Å; P32-A119 VanDerWaalsContact O-CB 3.26Å; P32-A119 WeakPolarHBondContact O-CB 3.46Å; P32-V404 HydrophobicContact CG-CG2 4.31Å
33	K	88.7	Confident	76.5	Confident	128 Å²	128	75 Å²	75	56%	0.557	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	115.2	-173.5	-172.4	167.5	-173.1	159.2	0	110.8	P31 E35 A61 S62	P31-K33 PolarHBondContact O-N 2.85Å; K33-E35 PolarHBondContact O-N 3.36Å; K33-A61 CarbonylContact O-C 3.55Å; K33-A61 WeakPolarHBondContact O-CA 3.49Å; K33-A61 VanDerWaalsContact O-CB 3.28Å; K33-A61 WeakPolarHBondContact O-CB 3.44Å; K33-S62 PolarHBondContact N-O 2.93Å; K33-S62 PolarHBondContact O-N 3.31Å
34	L	88.3	Confident	78.7	Confident	34 Å²	34	67.8 Å²	67.8	18%	0.178	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.3	179.3	-77.9	153.3	0	0	0	111.3	A61 V112 A119 M120 S121	L34-A61 HydrophobicContact CD2-CB 4.28Å; L34-A61 HydrophobicContact CG-CB 4.4Å; L34-V112 HydrophobicContact CD2-CG2 3.81Å; L34-V112 HydrophobicContact CG-CG2 4.28Å; L34-A119 HydrophobicContact CD1-CB 4.11Å; L34-M120 VanDerWaalsContact CD1-O 3.23Å; L34-M120 WeakPolarHBondContact CD1-O 3.44Å; L34-S121 VanDerWaalsContact CD1-N 3.33Å
35	E	85.6	Confident	80.9	Confident	112 Å²	112	66.2 Å²	66.2	52%	0.523	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-36.7	-175.4	-64	173.1	149.7	0	0	111.9	K33 H60 S62	K33-E35 PolarHBondContact O-N 3.36Å; E35-H60 PolarHBondContact N-O 3.04Å; E35-H60 IonicContact OE2-CE1 3.89Å; E35-H60 PolarHBondContact OE2-CE1 3.18Å; E35-H60 IonicContact OE2-ND1 3.01Å; E35-H60 PolarHBondContact OE2-ND1 3.26Å; E35-S62 VanDerWaalsContact CD-OG 3.25Å; E35-S62 WeakPolarHBondContact OE1-CB 3.3Å; E35-S62 PolarHBondContact OE1-OG 3.28Å
36	L	85.7	Confident	82.6	Confident	56 Å²	56	66.6 Å²	66.6	29%	0.293	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	114.5	-176.3	-171.7	59.2	0	0	0	111.2	K58 C59 H60	L36-K58 HydrophobicContact CD1-CD 4.32Å; L36-K58 HydrophobicContact CD2-CD 3.83Å; L36-K58 HydrophobicContact CG-CB 4.33Å; L36-K58 HydrophobicContact CG-CD 3.95Å; L36-C59 CarbonylContact O-C 3.59Å; L36-C59 VanDerWaalsContact O-CA 3.26Å; L36-C59 WeakPolarHBondContact O-CA 3.38Å; L36-H60 HydrophobicContact CB-CB 3.84Å; L36-H60 PolarHBondContact N-O 3.12Å; L36-H60 PolarHBondContact O-N 3.46Å
37	E	90.3	Very high	83.3	Confident	62 Å²	62	61.4 Å²	61.4	29%	0.29	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.8	176	45.7	169.2	-153.3	0	0	111.4	K58 S121 H122 F124	E37-K58 WeakPolarHBondContact CA-O 3.4Å; E37-S121 WeakPolarHBondContact OE2-CB 3.46Å; E37-H122 IonicContact OE1-CE1 3.48Å; E37-H122 PolarHBondContact OE1-CE1 2.78Å; E37-H122 IonicContact OE1-CG 2.77Å; E37-H122 IonicContact OE1-ND1 3.63Å; E37-H122 PolarHBondContact OE1-ND1 2.74Å; E37-H122 IonicContact OE2-CE1 2.78Å; E37-H122 IonicContact OE2-CG 2.78Å; E37-H122 PolarHBondContact OE2-N 2.89Å; E37-H122 IonicContact OE2-ND1 2.68Å; E37-H122 PolarHBondContact OE2-ND1 2.89Å; E37-F124 HydrophobicContact CB-CE1 4Å; E37-F124 HydrophobicContact CB-CZ 3.9Å
38	S	90.2	Very high	83.7	Confident	6 Å²	6	61.5 Å²	61.5	4%	0.042	32%	0.317	C	S	.	.			trans	-61.1	162.3	175.6	-90.4	0	0	0	0	112.7	L57 K58 H122 F124	S38-L57 WeakPolarHBondContact OG-CA 3.2Å; S38-K58 PolarHBondContact N-O 3.01Å; S38-K58 PolarHBondContact OG-N 2.84Å; S38-H122 PolarHBondContact O-CE1 2.69Å; S38-H122 PolarHBondContact O-NE2 3.4Å; S38-F124 VanDerWaalsContact O-CE1 3.24Å; S38-F124 WeakPolarHBondContact O-CE1 2.99Å
39	P	86.6	Confident	83.4	Confident	81 Å²	81	64.6 Å²	64.6	53%	0.526	34%	0.341	S	S	.	.			trans	-67.6	154.8	168.5	29.4	-34.4	0	0	0	111.7	Q41 V42	P39-Q41 PolarHBondContact O-N 2.86Å; P39-Q41 VanDerWaalsContact O-N 3.1Å; P39-V42 HydrophobicContact CG-CG2 4.23Å; P39-V42 WeakPolarHBondContact O-CG2 3.4Å
40	R	85.4	Confident	82.2	Confident	103 Å²	103	62.6 Å²	62.6	39%	0.389	35%	0.349	S	S	.	.	S	Bend	trans	-57.9	-24.7	-177.3	-70.5	173.5	178.1	-155.6	-10.4	115.2	H122 D125 Y415	R40-H122 WeakPolarHBondContact CA-NE2 3.37Å; R40-H122 VanDerWaalsContact CG-CD2 3.48Å; R40-H122 WeakPolarHBondContact CG-CD2 3.25Å; R40-H122 WeakPolarHBondContact CG-NE2 3.39Å; R40-H122 PolarHBondContact N-NE2 2.83Å; R40-D125 VanDerWaalsContact O-CB 3.32Å; R40-D125 WeakPolarHBondContact O-CB 3.42Å; R40-D125 PolarHBondContact O-N 2.89Å; R40-Y415 PolarHBondContact NH1-O 2.88Å; R40-Y415 PolarHBondContact NH2-O 2.82Å
41	Q	88.5	Confident	80.8	Confident	99 Å²	99	67.9 Å²	67.9	46%	0.463	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.9	170.6	-64.5	-172	5.2	0	0	108	P39 D125	P39-Q41 PolarHBondContact O-N 2.86Å; P39-Q41 VanDerWaalsContact O-N 3.1Å; Q41-D125 WeakPolarHBondContact CA-O 3.29Å; Q41-D125 HydrophobicContact CG-CB 4.3Å
42	V	90.3	Very high	79.5	Confident	15 Å²	15	69.9 Å²	69.9	9%	0.091	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.9	177.1	179.5	0	0	0	0	107.5	P39 F55 L57 D125 V126 K127	P39-V42 HydrophobicContact CG-CG2 4.23Å; P39-V42 WeakPolarHBondContact O-CG2 3.4Å; V42-F55 HydrophobicContact CG1-CD2 3.99Å; V42-F55 HydrophobicContact CG1-CE2 4.37Å; V42-L57 HydrophobicContact CB-CD2 4.25Å; V42-L57 HydrophobicContact CG1-CD2 4.09Å; V42-L57 HydrophobicContact CG2-CD2 3.92Å; V42-D125 PolarHBondContact N-O 3.01Å; V42-V126 HydrophobicContact CB-CG2 4.26Å; V42-V126 CarbonylContact O-C 3.45Å; V42-V126 WeakPolarHBondContact O-CA 3.33Å; V42-K127 PolarHBondContact O-N 3.29Å
43	W	88.4	Confident	78.7	Confident	73 Å²	73	72.8 Å²	72.8	28%	0.277	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.8	179.5	-64.9	89.5	0	0	0	110	K127 M160 P161 V218	W43-K127 WeakPolarHBondContact CA-O 3.3Å; W43-K127 HydrophobicContact CD2-CB 3.88Å; W43-K127 HydrophobicContact CE3-CB 3.5Å; W43-K127 VanDerWaalsContact CE3-CB 3.5Å; W43-K127 HydrophobicContact CH2-CB 4.04Å; W43-K127 HydrophobicContact CH2-CD 3.57Å; W43-K127 HydrophobicContact CH2-CG 4.44Å; W43-K127 HydrophobicContact CZ2-CB 4.36Å; W43-K127 HydrophobicContact CZ2-CD 3.61Å; W43-K127 HydrophobicContact CZ3-CB 3.59Å; W43-K127 HydrophobicContact CZ3-CD 4.03Å; W43-K127 HydrophobicContact CZ3-CG 4.42Å; W43-M160 HydrophobicContact CH2-CG 4.37Å; W43-M160 HydrophobicContact CZ3-CG 4.16Å; W43-P161 HydrophobicContact CH2-CB 4.18Å; W43-P161 HydrophobicContact CH2-CG 4.34Å; W43-P161 HydrophobicContact CZ2-CB 4.48Å; W43-V218 HydrophobicContact CB-CB 4.1Å; W43-V218 HydrophobicContact CB-CG1 3.82Å; W43-V218 HydrophobicContact CD2-CG1 3.84Å; W43-V218 HydrophobicContact CE3-CG1 4.24Å; W43-V218 HydrophobicContact CG-CB 4.43Å; W43-V218 HydrophobicContact CG-CG1 3.65Å
44	F	88.1	Confident	78.5	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.009	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	159.8	169.4	75.3	-85	0	0	0	109.3	I46 F55 P100 Q101 D104 V126 K127 I128 G129	F44-I46 HydrophobicContact CD2-CG1 4.47Å; F44-I46 HydrophobicContact CE2-CD1 4.35Å; F44-I46 HydrophobicContact CE2-CG1 4.06Å; F44-F55 HydrophobicContact CB-CD1 3.48Å; F44-F55 VanDerWaalsContact CB-CD1 3.48Å; F44-F55 HydrophobicContact CB-CE1 3.84Å; F44-F55 HydrophobicContact CB-CG 4.14Å; F44-F55 HydrophobicContact CD1-CD1 4.36Å; F44-F55 AromaticContact CD1-CE1 3.83Å; F44-F55 HydrophobicContact CD1-CE1 3.83Å; F44-F55 HydrophobicContact CD1-CZ 4.25Å; F44-F55 HydrophobicContact CD2-CE1 4.26Å; F44-F55 HydrophobicContact CE1-CE1 4.45Å; F44-F55 AromaticContact CG-CD1 3.9Å; F44-F55 HydrophobicContact CG-CD1 3.9Å; F44-F55 AromaticContact CG-CE1 3.71Å; F44-F55 HydrophobicContact CG-CE1 3.71Å; F44-P100 HydrophobicContact CD2-CB 3.47Å; F44-P100 VanDerWaalsContact CD2-CB 3.47Å; F44-P100 HydrophobicContact CD2-CG 4.27Å; F44-P100 HydrophobicContact CE2-CB 3.64Å; F44-P100 HydrophobicContact CG-CB 4.3Å; F44-Q101 WeakPolarHBondContact CZ-O 3.45Å; F44-D104 HydrophobicContact CZ-CB 4.34Å; F44-V126 HydrophobicContact CD1-CG1 3.9Å; F44-V126 HydrophobicContact CE1-CG1 3.93Å; F44-K127 WeakPolarHBondContact CD1-O 3.43Å; F44-K127 PolarHBondContact N-O 2.68Å; F44-I128 HydrophobicContact CE1-CB 4.23Å; F44-I128 HydrophobicContact CE2-CB 4.38Å; F44-I128 HydrophobicContact CE2-CD1 4.11Å; F44-I128 HydrophobicContact CE2-CG1 4.1Å; F44-I128 HydrophobicContact CZ-CB 4Å; F44-I128 HydrophobicContact CZ-CD1 4.33Å; F44-I128 HydrophobicContact CZ-CG1 4.23Å; F44-I128 CarbonylContact O-C 3.39Å; F44-I128 VanDerWaalsContact O-CA 3.3Å; F44-I128 WeakPolarHBondContact O-CA 3.04Å; F44-G129 PolarHBondContact O-N 2.71Å
45	H	82.2	Confident	78.6	Confident	37 Å²	37	73 Å²	73	17%	0.171	39%	0.393	C	S	.	.			trans	-129.3	162.2	170.2	70.3	-95.6	0	0	0	111.2	P47 Q53 L219	H45-P47 WeakPolarHBondContact O-CD 3.42Å; H45-Q53 PolarHBondContact CE1-NE2 2.84Å; H45-Q53 PolarHBondContact ND1-NE2 3.35Å; H45-Q53 PolarHBondContact ND1-OE1 3.36Å; H45-L219 HydrophobicContact CB-CD2 3.42Å; H45-L219 VanDerWaalsContact CB-CD2 3.42Å
46	I	78.8	Confident	78.8	Confident	76 Å²	76	69.9 Å²	69.9	39%	0.39	38%	0.382	S	S	.	.			trans	-109.2	99.6	174.5	-58.8	176.2	0	0	0	106.4	F44 V102 I128	F44-I46 HydrophobicContact CD2-CG1 4.47Å; F44-I46 HydrophobicContact CE2-CD1 4.35Å; F44-I46 HydrophobicContact CE2-CG1 4.06Å; I46-V102 HydrophobicContact CD1-CG2 3.61Å; I46-I128 HydrophobicContact CD1-CD1 3.77Å; I46-I128 HydrophobicContact CG1-CD1 3.97Å
47	P	68.1	Low	79.2	Confident	34 Å²	34	67.2 Å²	67.2	22%	0.221	37%	0.368	C	S	.	.			trans	-69.6	142.8	-175.8	27	-33.7	0	0	0	111.1	H45 S49 Q51	H45-P47 WeakPolarHBondContact O-CD 3.42Å; P47-S49 PolarHBondContact O-N 2.88Å; P47-Q51 WeakPolarHBondContact CG-O 3.26Å
48	T	66	Low	79.3	Confident	135 Å²	135	67.3 Å²	67.3	83%	0.828	37%	0.367	S	S	*	.	S	Bend	trans	-75	-7.3	177.7	46.5	0	0	0	0	113.5
49	S	59.2	Low	79.5	Confident	89 Å²	89	67 Å²	67	62%	0.622	37%	0.365	S	S	*	.	S	Bend	trans	-115.3	52	-168	41.8	0	0	0	0	113.6	P47 Q51	P47-S49 PolarHBondContact O-N 2.88Å; S49-Q51 VanDerWaalsContact C-N 3.32Å; S49-Q51 PolarHBondContact O-N 3.29Å
50	G	53.5	Low	79.6	Confident	80 Å²	80	66.1 Å²	66.1	83%	0.825	35%	0.354	S	S	*	.	S	Bend	trans	77.1	-19.4	151.9	0	0	0	0	0	119.5
51	Q	55.7	Low	79.8	Confident	165 Å²	165	61.4 Å²	61.4	77%	0.771	34%	0.337	S	S	*	.	S	Bend	trans	-110.5	123.5	172.3	-68	-152.7	-1	0	0	111.7	P47 S49 Q53	P47-Q51 WeakPolarHBondContact CG-O 3.26Å; S49-Q51 VanDerWaalsContact C-N 3.32Å; S49-Q51 PolarHBondContact O-N 3.29Å; Q51-Q53 PolarHBondContact O-N 2.79Å
52	P	60.1	Low	79.8	Confident	76 Å²	76	58.7 Å²	58.7	49%	0.494	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-69.6	126.5	180	27.9	-33.3	0	0	0	111.3	K54 Q99	P52-K54 PolarHBondContact O-N 2.94Å; P52-Q99 HydrophobicContact CB-CB 4.46Å; P52-Q99 HydrophobicContact CB-CG 4.31Å; P52-Q99 HydrophobicContact CG-CG 4.16Å
53	Q	72.2	Confident	79.5	Confident	66 Å²	66	58.3 Å²	58.3	31%	0.308	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.7	120.1	168	-172	-167.5	40.2	0	0	108.6	H45 Q51 P100	H45-Q53 PolarHBondContact CE1-NE2 2.84Å; H45-Q53 PolarHBondContact ND1-NE2 3.35Å; H45-Q53 PolarHBondContact ND1-OE1 3.36Å; Q51-Q53 PolarHBondContact O-N 2.79Å; Q53-P100 WeakPolarHBondContact O-CD 3.28Å; Q53-P100 WeakPolarHBondContact O-CG 3.43Å
54	K	86.2	Confident	79.3	Confident	149 Å²	149	58 Å²	58	65%	0.648	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-84.2	146.3	170.8	64.8	-179.8	-179.5	177.9	0	111.2	P52 T96 F97	P52-K54 PolarHBondContact O-N 2.94Å; K54-T96 HydrophobicContact CB-CG2 4.48Å; K54-F97 VanDerWaalsContact CA-O 3.25Å; K54-F97 WeakPolarHBondContact CA-O 3.22Å; K54-F97 WeakPolarHBondContact CB-O 3.32Å
55	F	89	Confident	79.3	Confident	17 Å²	17	59.2 Å²	59.2	8%	0.075	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.3	168.9	79	-93.8	0	0	0	111.9	V42 F44 L57 T96 F97 P100 V126	V42-F55 HydrophobicContact CG1-CD2 3.99Å; V42-F55 HydrophobicContact CG1-CE2 4.37Å; F44-F55 HydrophobicContact CB-CD1 3.48Å; F44-F55 VanDerWaalsContact CB-CD1 3.48Å; F44-F55 HydrophobicContact CB-CE1 3.84Å; F44-F55 HydrophobicContact CB-CG 4.14Å; F44-F55 HydrophobicContact CD1-CD1 4.36Å; F44-F55 AromaticContact CD1-CE1 3.83Å; F44-F55 HydrophobicContact CD1-CE1 3.83Å; F44-F55 HydrophobicContact CD1-CZ 4.25Å; F44-F55 HydrophobicContact CD2-CE1 4.26Å; F44-F55 HydrophobicContact CE1-CE1 4.45Å; F44-F55 AromaticContact CG-CD1 3.9Å; F44-F55 HydrophobicContact CG-CD1 3.9Å; F44-F55 AromaticContact CG-CE1 3.71Å; F44-F55 HydrophobicContact CG-CE1 3.71Å; F55-L57 HydrophobicContact CD2-CD2 4.3Å; F55-L57 HydrophobicContact CE2-CD2 3.95Å; F55-L57 HydrophobicContact CE2-CG 4.07Å; F55-T96 CarbonylContact O-C 3.34Å; F55-T96 WeakPolarHBondContact O-CA 3.42Å; F55-F97 HydrophobicContact CD1-CB 3.91Å; F55-F97 HydrophobicContact CD1-CG 4.31Å; F55-F97 HydrophobicContact CD2-CD2 4.05Å; F55-F97 HydrophobicContact CE1-CB 3.67Å; F55-F97 HydrophobicContact CE1-CD1 4.04Å; F55-F97 HydrophobicContact CE1-CD2 4.06Å; F55-F97 AromaticContact CE1-CG 3.67Å; F55-F97 HydrophobicContact CE1-CG 3.67Å; F55-F97 HydrophobicContact CE2-CB 4.47Å; F55-F97 AromaticContact CE2-CD2 3.42Å; F55-F97 HydrophobicContact CE2-CD2 3.42Å; F55-F97 VanDerWaalsContact CE2-CD2 3.42Å; F55-F97 AromaticContact CE2-CE2 3.71Å; F55-F97 HydrophobicContact CE2-CE2 3.71Å; F55-F97 AromaticContact CE2-CG 3.94Å; F55-F97 HydrophobicContact CE2-CG 3.94Å; F55-F97 HydrophobicContact CE2-CZ 4.39Å; F55-F97 HydrophobicContact CG-CB 4.41Å; F55-F97 HydrophobicContact CZ-CB 3.97Å; F55-F97 AromaticContact CZ-CD1 3.77Å; F55-F97 HydrophobicContact CZ-CD1 3.77Å; F55-F97 AromaticContact CZ-CD2 3.43Å; F55-F97 HydrophobicContact CZ-CD2 3.43Å; F55-F97 VanDerWaalsContact CZ-CD2 3.43Å; F55-F97 HydrophobicContact CZ-CE1 4.07Å; F55-F97 AromaticContact CZ-CE2 3.78Å; F55-F97 HydrophobicContact CZ-CE2 3.78Å; F55-F97 AromaticContact CZ-CG 3.45Å; F55-F97 HydrophobicContact CZ-CG 3.45Å; F55-F97 VanDerWaalsContact CZ-CG 3.45Å; F55-F97 HydrophobicContact CZ-CZ 4.09Å; F55-F97 PolarHBondContact N-O 2.99Å; F55-F97 PolarHBondContact O-N 2.9Å; F55-P100 HydrophobicContact CD1-CB 4.19Å; F55-P100 HydrophobicContact CD1-CG 3.56Å; F55-P100 HydrophobicContact CE1-CB 3.92Å; F55-P100 HydrophobicContact CE1-CG 3.74Å; F55-V126 HydrophobicContact CE2-CG1 4.1Å; F55-V126 HydrophobicContact CZ-CG1 3.87Å
56	T	91.2	Very high	79.5	Confident	46 Å²	46	63.4 Å²	63.4	28%	0.282	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.1	-175.4	-57.6	0	0	0	0	110.9	K58 I95 T96	T56-K58 HydrophobicContact CG2-CG 4.42Å; T56-I95 CarbonylContact C-O 3.53Å; T56-I95 VanDerWaalsContact CA-O 3.31Å; T56-I95 WeakPolarHBondContact CA-O 3.38Å; T56-T96 PolarHBondContact OG1-OG1 2.83Å
57	L	94	Very high	80.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113.4	165	-57.7	-177.3	0	0	0	108.2	S38 V42 F55 W70 S94 I95 F97 Y108 V126	S38-L57 WeakPolarHBondContact OG-CA 3.2Å; V42-L57 HydrophobicContact CB-CD2 4.25Å; V42-L57 HydrophobicContact CG1-CD2 4.09Å; V42-L57 HydrophobicContact CG2-CD2 3.92Å; F55-L57 HydrophobicContact CD2-CD2 4.3Å; F55-L57 HydrophobicContact CE2-CD2 3.95Å; F55-L57 HydrophobicContact CE2-CG 4.07Å; L57-W70 HydrophobicContact CB-CH2 3.54Å; L57-W70 HydrophobicContact CB-CZ2 4.04Å; L57-W70 HydrophobicContact CB-CZ3 4.12Å; L57-W70 HydrophobicContact CD1-CH2 4.32Å; L57-W70 HydrophobicContact CD1-CZ3 4.04Å; L57-S94 CarbonylContact O-C 3.57Å; L57-S94 VanDerWaalsContact O-CA 3.25Å; L57-S94 WeakPolarHBondContact O-CA 3.28Å; L57-I95 HydrophobicContact CB-CG1 4.03Å; L57-I95 HydrophobicContact CD1-CD1 4.41Å; L57-I95 PolarHBondContact N-O 2.92Å; L57-I95 PolarHBondContact O-N 3.14Å; L57-F97 HydrophobicContact CD1-CE2 3.88Å; L57-F97 HydrophobicContact CD1-CZ 4.36Å; L57-F97 HydrophobicContact CG-CE2 4.01Å; L57-Y108 HydrophobicContact CD1-CD1 3.86Å; L57-Y108 HydrophobicContact CD1-CD2 4.15Å; L57-Y108 HydrophobicContact CD1-CE1 4.43Å; L57-Y108 HydrophobicContact CD1-CG 3.69Å; L57-V126 HydrophobicContact CD1-CG2 4.22Å; L57-V126 HydrophobicContact CD2-CG2 3.92Å
58	K	92.7	Very high	81.2	Confident	64 Å²	64	66.5 Å²	66.5	28%	0.278	36%	0.362	S	S	.	.			trans	-80	133.7	-178	-67.3	-169.7	172.1	-166.2	0	110.6	L36 E37 S38 T56 E975	L36-K58 HydrophobicContact CD1-CD 4.32Å; L36-K58 HydrophobicContact CD2-CD 3.83Å; L36-K58 HydrophobicContact CG-CB 4.33Å; L36-K58 HydrophobicContact CG-CD 3.95Å; E37-K58 WeakPolarHBondContact CA-O 3.4Å; S38-K58 PolarHBondContact N-O 3.01Å; S38-K58 PolarHBondContact OG-N 2.84Å; T56-K58 HydrophobicContact CG2-CG 4.42Å; K58-E975 IonicContact NZ-OE2 2.69Å
59	C	92.4	Very high	82.4	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	99.7	170.1	-177	0	0	0	0	108.9	L36 W70 S92 G93 S94 C110	L36-C59 CarbonylContact O-C 3.59Å; L36-C59 VanDerWaalsContact O-CA 3.26Å; L36-C59 WeakPolarHBondContact O-CA 3.38Å; C59-W70 HydrophobicContact CB-CH2 4.17Å; C59-W70 HydrophobicContact CB-CZ2 3.66Å; C59-S92 PolarHBondContact O-OG 3.46Å; C59-S92 VanDerWaalsContact O-OG 3.06Å; C59-G93 CarbonylContact O-C 3.58Å; C59-G93 VanDerWaalsContact O-CA 3.3Å; C59-G93 WeakPolarHBondContact O-CA 3.3Å; C59-G93 PolarHBondContact O-N 2.83Å; C59-S94 PolarHBondContact N-OG 2.85Å; C59-S94 PolarHBondContact O-N 2.85Å; C59-S94 VanDerWaalsContact O-N 3.13Å; C59-S94 PolarHBondContact O-OG 2.9Å; C59-C110 HydrophobicContact CB-CB 3.7Å; C59-C110 WeakPolarHBondContact CB-SG 3.49Å; C59-C110 WeakPolarHBondContact SG-CB 3.21Å; C59-C110 CovalentContact SG-SG 2.04Å; C59-C110 PolarHBondContact SG-SG 2.82Å
60	H	90.1	Very high	84.1	Confident	62 Å²	62	57.8 Å²	57.8	29%	0.287	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.7	172.3	-163.7	-95.9	0	0	0	110.3	E35 L36	E35-H60 PolarHBondContact N-O 3.04Å; E35-H60 IonicContact OE2-CE1 3.89Å; E35-H60 PolarHBondContact OE2-CE1 3.18Å; E35-H60 IonicContact OE2-ND1 3.01Å; E35-H60 PolarHBondContact OE2-ND1 3.26Å; L36-H60 HydrophobicContact CB-CB 3.84Å; L36-H60 PolarHBondContact N-O 3.12Å; L36-H60 PolarHBondContact O-N 3.46Å
61	A	89	Confident	86.1	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.6	176.4	0	0	0	0	0	111.9	K33 L34 Y68 V112	K33-A61 CarbonylContact O-C 3.55Å; K33-A61 WeakPolarHBondContact O-CA 3.49Å; K33-A61 VanDerWaalsContact O-CB 3.28Å; K33-A61 WeakPolarHBondContact O-CB 3.44Å; L34-A61 HydrophobicContact CD2-CB 4.28Å; L34-A61 HydrophobicContact CG-CB 4.4Å; A61-Y68 HydrophobicContact CB-CE1 4.45Å; A61-Y68 PolarHBondContact N-OH 3Å; A61-V112 HydrophobicContact CB-CB 4.43Å; A61-V112 HydrophobicContact CB-CG1 3.83Å; A61-V112 HydrophobicContact CB-CG2 4.2Å
62	S	88.1	Confident	87.9	Confident	42 Å²	42	50.1 Å²	50.1	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	176.1	166	44.6	0	0	0	0	111.4	P32 K33 E35	P32-S62 WeakPolarHBondContact CA-O 3.34Å; K33-S62 PolarHBondContact N-O 2.93Å; K33-S62 PolarHBondContact O-N 3.31Å; E35-S62 VanDerWaalsContact CD-OG 3.25Å; E35-S62 WeakPolarHBondContact OE1-CB 3.3Å; E35-S62 PolarHBondContact OE1-OG 3.28Å
63	G	83.6	Confident	89.5	Confident	6 Å²	6	51 Å²	51	6%	0.062	24%	0.244	C	C	.	.	S	Bend	trans	90.5	26.6	-171.7	0	0	0	0	0	114	S30 N114	S30-G63 WeakPolarHBondContact OG-CA 3.48Å; G63-N114 PolarHBondContact O-ND2 2.89Å
64	D	85.6	Confident	90.3	Very high	68 Å²	68	51 Å²	51	36%	0.364	26%	0.261	S	S	.	.			trans	43	63.4	179.2	-80.4	-41.5	0	0	0	114.4	K26 I28 E66	K26-D64 WeakPolarHBondContact CE-OD2 3.41Å; K26-D64 IonicContact NZ-OD1 3.62Å; K26-D64 PolarHBondContact NZ-OD1 2.89Å; K26-D64 IonicContact NZ-OD2 3.82Å; K26-D64 PolarHBondContact NZ-OD2 2.83Å; K26-D64 VanDerWaalsContact NZ-OD2 3.12Å; I28-D64 HydrophobicContact CG1-CB 4.11Å; I28-D64 HydrophobicContact CG2-CB 4.47Å; D64-E66 PolarHBondContact O-N 2.97Å
65	P	87	Confident	90.6	Very high	27 Å²	27	49.5 Å²	49.5	18%	0.175	26%	0.26	C	S	.	.			trans	-68.8	119.7	-172.4	28.1	-35.8	0	0	0	112.9	R67 Y68 V112	P65-R67 VanDerWaalsContact C-N 3.31Å; P65-R67 PolarHBondContact O-N 2.69Å; P65-Y68 HydrophobicContact CB-CE2 4.35Å; P65-Y68 HydrophobicContact CG-CE1 4.44Å; P65-Y68 HydrophobicContact CG-CE2 3.75Å; P65-Y68 WeakPolarHBondContact CG-OH 3.44Å; P65-V112 HydrophobicContact CB-CG1 3.27Å; P65-V112 HydrophobicContact CG-CG1 4.02Å
66	E	87.4	Confident	90.7	Very high	125 Å²	125	53 Å²	53	58%	0.584	28%	0.284	S	S	*	.	S	Bend	trans	-67.2	-31.2	-180	-58.3	177.2	124.2	0	0	112.6	I28 D64 S113 N114 I115	I28-E66 HydrophobicContact CD1-CG 3.51Å; D64-E66 PolarHBondContact O-N 2.97Å; E66-S113 PolarHBondContact N-O 2.76Å; E66-N114 HydrophobicContact CG-CB 4.18Å; E66-N114 VanDerWaalsContact OE2-CA 3.29Å; E66-N114 WeakPolarHBondContact OE2-CA 3.38Å; E66-I115 PolarHBondContact OE2-N 3.47Å
67	R	90	Very high	90.8	Very high	149 Å²	149	52.4 Å²	52.4	56%	0.562	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.5	-178.1	179.1	179.4	178.7	-179.4	-0.2	112.5	P65 V112 S113	P65-R67 VanDerWaalsContact C-N 3.31Å; P65-R67 PolarHBondContact O-N 2.69Å; R67-V112 WeakPolarHBondContact O-CA 3.43Å; R67-S113 PolarHBondContact N-O 2.99Å; R67-S113 PolarHBondContact O-N 3.42Å
68	Y	91.3	Very high	90.5	Very high	26 Å²	26	59.1 Å²	59.1	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.2	162	-68.4	-86	0	0	0	109.7	A61 P65 Q91 G93 S111 V112	A61-Y68 HydrophobicContact CB-CE1 4.45Å; A61-Y68 PolarHBondContact N-OH 3Å; P65-Y68 HydrophobicContact CB-CE2 4.35Å; P65-Y68 HydrophobicContact CG-CE1 4.44Å; P65-Y68 HydrophobicContact CG-CE2 3.75Å; P65-Y68 WeakPolarHBondContact CG-OH 3.44Å; Y68-Q91 PolarHBondContact OH-O 3Å; Y68-G93 VanDerWaalsContact CE1-N 3.3Å; Y68-G93 VanDerWaalsContact CZ-N 3.26Å; Y68-S111 WeakPolarHBondContact CA-O 3.27Å; Y68-V112 HydrophobicContact CD1-CB 4.38Å; Y68-V112 HydrophobicContact CD1-CG1 4.07Å; Y68-V112 HydrophobicContact CD1-CG2 3.72Å; Y68-V112 HydrophobicContact CE1-CB 4.44Å; Y68-V112 HydrophobicContact CE1-CG1 3.85Å; Y68-V112 HydrophobicContact CE1-CG2 3.78Å
69	Q	92.5	Very high	90.3	Very high	40 Å²	40	56.8 Å²	56.8	19%	0.187	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	126.4	176.5	-179.9	62	65.2	0	0	110.3	F71 F77 S111	Q69-F71 HydrophobicContact CB-CE2 4.33Å; Q69-F71 HydrophobicContact CG-CD2 4.35Å; Q69-F71 HydrophobicContact CG-CE2 3.69Å; Q69-F71 HydrophobicContact CG-CZ 4Å; Q69-F77 PolarHBondContact NE2-O 2.87Å; Q69-S111 PolarHBondContact N-O 2.9Å; Q69-S111 PolarHBondContact O-N 3.37Å
70	W	94.4	Very high	90	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	151.5	171.5	-77.4	93.3	0	0	0	111.9	L57 C59 F77 W86 G93 I95 Y108 C110 F124	L57-W70 HydrophobicContact CB-CH2 3.54Å; L57-W70 HydrophobicContact CB-CZ2 4.04Å; L57-W70 HydrophobicContact CB-CZ3 4.12Å; L57-W70 HydrophobicContact CD1-CH2 4.32Å; L57-W70 HydrophobicContact CD1-CZ3 4.04Å; C59-W70 HydrophobicContact CB-CH2 4.17Å; C59-W70 HydrophobicContact CB-CZ2 3.66Å; W70-F77 HydrophobicContact CB-CB 4.06Å; W70-F77 HydrophobicContact CB-CD1 4.13Å; W70-F77 PolarHBondContact O-N 2.9Å; W70-W86 AromaticContact CD1-CH2 3.7Å; W70-W86 AromaticContact CD1-CZ3 3.69Å; W70-W86 AromaticContact NE1-CZ3 3.67Å; W70-G93 PolarHBondContact NE1-O 2.81Å; W70-I95 HydrophobicContact CD2-CD1 3.75Å; W70-I95 HydrophobicContact CD2-CG1 4.21Å; W70-I95 HydrophobicContact CE3-CD1 4.34Å; W70-I95 HydrophobicContact CG-CD1 3.86Å; W70-I95 HydrophobicContact CZ2-CD1 4.35Å; W70-I95 HydrophobicContact CZ2-CG1 3.9Å; W70-Y108 HydrophobicContact CE3-CD1 4.47Å; W70-C110 HydrophobicContact CD2-CB 4.31Å; W70-C110 HydrophobicContact CE3-CB 4.19Å; W70-C110 HydrophobicContact CH2-CB 3.88Å; W70-C110 HydrophobicContact CZ2-CB 3.98Å; W70-C110 HydrophobicContact CZ3-CB 3.99Å; W70-F124 HydrophobicContact CH2-CD2 4.14Å; W70-F124 AromaticContact CH2-CE2 3.64Å; W70-F124 HydrophobicContact CH2-CE2 3.64Å; W70-F124 AromaticContact CZ3-CD2 3.81Å; W70-F124 HydrophobicContact CZ3-CD2 3.81Å; W70-F124 AromaticContact CZ3-CE2 3.61Å; W70-F124 HydrophobicContact CZ3-CE2 3.61Å
71	F	94.8	Very high	89.7	Confident	50 Å²	50	59.9 Å²	59.9	22%	0.219	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.8	169.6	-64.4	-100.4	0	0	0	109.1	Q69 I75 P76 Y108 Q109	Q69-F71 HydrophobicContact CB-CE2 4.33Å; Q69-F71 HydrophobicContact CG-CD2 4.35Å; Q69-F71 HydrophobicContact CG-CE2 3.69Å; Q69-F71 HydrophobicContact CG-CZ 4Å; F71-I75 CarbonylContact C-O 3.56Å; F71-I75 VanDerWaalsContact CA-O 3.25Å; F71-I75 WeakPolarHBondContact CA-O 3.35Å; F71-P76 HydrophobicContact CD1-CG 4.16Å; F71-P76 HydrophobicContact CE1-CB 4.45Å; F71-P76 HydrophobicContact CE1-CG 3.85Å; F71-Y108 VanDerWaalsContact O-CA 3.25Å; F71-Y108 WeakPolarHBondContact O-CA 3.15Å; F71-Q109 PolarHBondContact N-O 2.87Å; F71-Q109 PolarHBondContact O-N 2.84Å
72	K	95.1	Very high	89.4	Confident	34 Å²	34	67.9 Å²	67.9	15%	0.148	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.9	174.5	-178.5	-179.8	-176.4	167.8	0	108.8	G74 I75 F77 D103 K105 Y107 Y108	K72-G74 PolarHBondContact O-N 2.9Å; K72-I75 PolarHBondContact N-O 2.9Å; K72-I75 PolarHBondContact O-N 2.88Å; K72-F77 HydrophobicContact CB-CB 3.92Å; K72-F77 HydrophobicContact CB-CD2 3.72Å; K72-F77 HydrophobicContact CB-CG 3.99Å; K72-F77 HydrophobicContact CD-CD2 3.71Å; K72-F77 HydrophobicContact CD-CE2 3.7Å; K72-F77 HydrophobicContact CG-CD2 4.38Å; K72-D103 PolarHBondContact NZ-O 2.79Å; K72-K105 WeakPolarHBondContact CE-O 3.43Å; K72-Y107 CarbonylContact C-O 3.42Å; K72-Y107 WeakPolarHBondContact CA-O 3.27Å; K72-Y108 HydrophobicContact CB-CD1 4.08Å; K72-Y108 HydrophobicContact CB-CE1 3.91Å; K72-Y108 HydrophobicContact CD-CE1 3.77Å; K72-Y108 HydrophobicContact CD-CE2 4.29Å; K72-Y108 WeakPolarHBondContact CD-OH 3.33Å; K72-Y108 WeakPolarHBondContact CE-OH 3.46Å; K72-Y108 HydrophobicContact CG-CD1 4.3Å; K72-Y108 HydrophobicContact CG-CE1 3.85Å; K72-Y108 HydrophobicContact CG-CE2 4.17Å; K72-Y108 PolarHBondContact NZ-OH 2.68Å
73	N	93.5	Very high	89.5	Confident	93 Å²	93	67.9 Å²	67.9	50%	0.497	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	35	-173.3	-55.2	-33.2	0	0	0	112.9	I75 Y107	N73-I75 VanDerWaalsContact C-N 3.31Å; N73-I75 PolarHBondContact O-N 2.87Å; N73-Y107 PolarHBondContact N-O 3.32Å; N73-Y107 PolarHBondContact OD1-N 2.87Å
74	G	87.6	Confident	89.9	Confident	66 Å²	66	67.7 Å²	67.7	68%	0.68	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-6.2	-177	0	0	0	0	0	115.9	K72	K72-G74 PolarHBondContact O-N 2.9Å
75	I	92.7	Very high	90.1	Very high	119 Å²	119	66.2 Å²	66.2	61%	0.61	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.5	179.4	-57.2	176	0	0	0	109.1	F71 K72 N73 F77	F71-I75 CarbonylContact C-O 3.56Å; F71-I75 VanDerWaalsContact CA-O 3.25Å; F71-I75 WeakPolarHBondContact CA-O 3.35Å; K72-I75 PolarHBondContact N-O 2.9Å; K72-I75 PolarHBondContact O-N 2.88Å; N73-I75 VanDerWaalsContact C-N 3.31Å; N73-I75 PolarHBondContact O-N 2.87Å; I75-F77 PolarHBondContact O-N 2.91Å
76	P	92.7	Very high	90.1	Very high	89 Å²	89	68.8 Å²	68.8	58%	0.578	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.2	127.2	174.1	-27.6	35	0	0	0	112.3	F71	F71-P76 HydrophobicContact CD1-CG 4.16Å; F71-P76 HydrophobicContact CE1-CB 4.45Å; F71-P76 HydrophobicContact CE1-CG 3.85Å
77	F	92.7	Very high	89.9	Confident	34 Å²	34	67.4 Å²	67.4	15%	0.149	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.5	-178.3	-173.7	-109.4	0	0	0	109.6	Q69 W70 K72 I75 I84 I95 F97 Y108	Q69-F77 PolarHBondContact NE2-O 2.87Å; W70-F77 HydrophobicContact CB-CB 4.06Å; W70-F77 HydrophobicContact CB-CD1 4.13Å; W70-F77 PolarHBondContact O-N 2.9Å; K72-F77 HydrophobicContact CB-CB 3.92Å; K72-F77 HydrophobicContact CB-CD2 3.72Å; K72-F77 HydrophobicContact CB-CG 3.99Å; K72-F77 HydrophobicContact CD-CD2 3.71Å; K72-F77 HydrophobicContact CD-CE2 3.7Å; K72-F77 HydrophobicContact CG-CD2 4.38Å; I75-F77 PolarHBondContact O-N 2.91Å; F77-I84 HydrophobicContact CE1-CD1 3.92Å; F77-I84 HydrophobicContact CZ-CD1 3.53Å; F77-I95 HydrophobicContact CD1-CD1 4.43Å; F77-I95 HydrophobicContact CE1-CD1 4.23Å; F77-F97 HydrophobicContact CE1-CZ 4.35Å; F77-F97 HydrophobicContact CZ-CE1 4.49Å; F77-F97 HydrophobicContact CZ-CZ 4.44Å; F77-Y108 HydrophobicContact CD1-CD1 4.44Å; F77-Y108 HydrophobicContact CD1-CE1 4.01Å; F77-Y108 HydrophobicContact CD2-CE1 4.36Å; F77-Y108 AromaticContact CE1-CE1 3.87Å; F77-Y108 HydrophobicContact CE1-CE1 3.87Å; F77-Y108 HydrophobicContact CE2-CE1 4.23Å; F77-Y108 HydrophobicContact CG-CE1 4.24Å; F77-Y108 AromaticContact CZ-CE1 3.97Å; F77-Y108 HydrophobicContact CZ-CE1 3.97Å
78	N	87.9	Confident	89.3	Confident	142 Å²	142	64 Å²	64	76%	0.759	34%	0.343	S	S	*	.			trans	-96.1	142.4	178	-164.1	17.9	0	0	0	110.7
79	V	88.7	Confident	88.2	Confident	14 Å²	14	67.5 Å²	67.5	9%	0.085	37%	0.369	C	S	.	.			trans	-97.4	112.2	-177.8	179	0	0	0	0	107.7	G81 I84 W86 I95	V79-G81 VanDerWaalsContact C-N 3.28Å; V79-G81 PolarHBondContact O-N 3.31Å; V79-I84 HydrophobicContact CG1-CB 4.49Å; V79-I84 HydrophobicContact CG1-CG2 4.17Å; V79-I84 WeakPolarHBondContact CG1-O 3.48Å; V79-W86 HydrophobicContact CB-CZ2 4.13Å; V79-W86 HydrophobicContact CG1-CD2 4.4Å; V79-W86 HydrophobicContact CG1-CG 4.25Å; V79-W86 HydrophobicContact CG2-CD2 4.38Å; V79-W86 HydrophobicContact CG2-CH2 4.2Å; V79-W86 HydrophobicContact CG2-CZ2 3.65Å; V79-I95 HydrophobicContact CG1-CG2 4.28Å; V79-I95 HydrophobicContact CG2-CG2 3.76Å
80	D	86	Confident	87	Confident	77 Å²	77	69.5 Å²	69.5	41%	0.412	40%	0.4	S	S	.	.			trans	-70.9	-16.8	-168.6	62.5	42.1	0	0	0	115	Q82 R83 I84	D80-Q82 PolarHBondContact O-N 2.92Å; D80-Q82 PolarHBondContact OD1-N 3.43Å; D80-R83 PolarHBondContact OD1-N 2.86Å; D80-R83 IonicContact OD2-NE 3.05Å; D80-I84 PolarHBondContact OD1-N 3.5Å
81	G	83.1	Confident	85.9	Confident	51 Å²	51	75.6 Å²	75.6	53%	0.526	43%	0.429	S	S	.	.	S	Bend	trans	74.7	5	177.7	0	0	0	0	0	114.9	V79 I84	V79-G81 VanDerWaalsContact C-N 3.28Å; V79-G81 PolarHBondContact O-N 3.31Å; G81-I84 WeakPolarHBondContact CA-O 3.31Å; G81-I84 PolarHBondContact N-O 3.4Å
82	Q	83.4	Confident	85.2	Confident	172 Å²	172	73.5 Å²	73.5	80%	0.804	42%	0.42	S	S	*	.	S	Bend	trans	-124.1	-51.8	-179.9	-64.7	-172.7	-6	0	0	112.2	D80	D80-Q82 PolarHBondContact O-N 2.92Å; D80-Q82 PolarHBondContact OD1-N 3.43Å
83	R	90	Very high	84.9	Confident	43 Å²	43	71.9 Å²	71.9	16%	0.162	41%	0.413	C	S	.	.	S	Bend	trans	-100.2	-31.2	179.9	-164.6	-175.3	68.2	88.3	-6.2	111.1	D80 L98 Q99 D104	D80-R83 PolarHBondContact OD1-N 2.86Å; D80-R83 IonicContact OD2-NE 3.05Å; R83-L98 PolarHBondContact O-N 2.83Å; R83-Q99 HydrophobicContact CG-CB 4Å; R83-Q99 WeakPolarHBondContact CG-O 3.48Å; R83-Q99 PolarHBondContact NH1-O 3.46Å; R83-D104 IonicContact CZ-OD1 2.83Å; R83-D104 IonicContact CZ-OD2 2.93Å; R83-D104 IonicContact NH1-OD1 3.25Å; R83-D104 PolarHBondContact NH1-OD1 2.8Å; R83-D104 IonicContact NH1-OD2 4Å; R83-D104 PolarHBondContact NH1-OD2 3.11Å; R83-D104 IonicContact NH2-OD1 3.84Å; R83-D104 PolarHBondContact NH2-OD1 2.65Å; R83-D104 IonicContact NH2-OD2 2.97Å
84	I	91	Very high	84.9	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.4	173.5	-50.7	175.4	0	0	0	107.7	F77 V79 D80 G81 I95 T96 F97	F77-I84 HydrophobicContact CE1-CD1 3.92Å; F77-I84 HydrophobicContact CZ-CD1 3.53Å; V79-I84 HydrophobicContact CG1-CB 4.49Å; V79-I84 HydrophobicContact CG1-CG2 4.17Å; V79-I84 WeakPolarHBondContact CG1-O 3.48Å; D80-I84 PolarHBondContact OD1-N 3.5Å; G81-I84 WeakPolarHBondContact CA-O 3.31Å; G81-I84 PolarHBondContact N-O 3.4Å; I84-I95 HydrophobicContact CG2-CB 4.16Å; I84-I95 HydrophobicContact CG2-CD1 4.25Å; I84-T96 WeakPolarHBondContact CA-O 3.31Å; I84-F97 HydrophobicContact CD1-CD1 3.62Å; I84-F97 HydrophobicContact CD1-CE1 3.35Å; I84-F97 HydrophobicContact CD1-CG 4.45Å; I84-F97 HydrophobicContact CD1-CZ 3.99Å; I84-F97 HydrophobicContact CG1-CD1 3.72Å; I84-F97 HydrophobicContact CG1-CE1 3.98Å; I84-F97 HydrophobicContact CG1-CG 4.19Å; I84-F97 HydrophobicContact CG2-CD2 4.33Å; I84-F97 HydrophobicContact CG2-CE2 4.32Å; I84-F97 HydrophobicContact CG2-CG 4.44Å; I84-F97 HydrophobicContact CG2-CZ 4.44Å
85	V	89.8	Confident	85.1	Confident	38 Å²	38	64.5 Å²	64.5	23%	0.23	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.6	-173.6	-61.3	0	0	0	0	111.7	I95 T96 L98	V85-I95 CarbonylContact O-C 3.48Å; V85-I95 WeakPolarHBondContact O-CA 3.34Å; V85-T96 PolarHBondContact N-O 3.31Å; V85-T96 PolarHBondContact O-N 2.96Å; V85-L98 HydrophobicContact CG1-CD1 3.78Å; V85-L98 HydrophobicContact CG2-CD1 3.9Å; V85-L98 HydrophobicContact CG2-CD2 4.2Å; V85-L98 HydrophobicContact CG2-CG 4.01Å
86	W	88.5	Confident	85.1	Confident	81 Å²	81	59.5 Å²	59.5	31%	0.307	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.6	167.5	-58.6	96.6	0	0	0	109.7	W70 V79 P89 G93 I95	W70-W86 AromaticContact CD1-CH2 3.7Å; W70-W86 AromaticContact CD1-CZ3 3.69Å; W70-W86 AromaticContact NE1-CZ3 3.67Å; V79-W86 HydrophobicContact CB-CZ2 4.13Å; V79-W86 HydrophobicContact CG1-CD2 4.4Å; V79-W86 HydrophobicContact CG1-CG 4.25Å; V79-W86 HydrophobicContact CG2-CD2 4.38Å; V79-W86 HydrophobicContact CG2-CH2 4.2Å; V79-W86 HydrophobicContact CG2-CZ2 3.65Å; W86-P89 HydrophobicContact CB-CB 4.46Å; W86-P89 HydrophobicContact CB-CG 4.14Å; W86-G93 WeakPolarHBondContact CZ3-O 3.5Å; W86-I95 HydrophobicContact CD2-CG2 3.93Å; W86-I95 HydrophobicContact CE3-CG2 3.54Å; W86-I95 HydrophobicContact CZ3-CG2 3.88Å
87	Q	82.1	Confident	85.1	Confident	95 Å²	95	55.2 Å²	55.2	44%	0.444	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-38.3	-175.6	-173.8	-178.7	-9.7	0	0	112.5	S94	Q87-S94 PolarHBondContact N-O 3.49Å
88	R	76.7	Confident	84.8	Confident	77 Å²	77	56.9 Å²	56.9	29%	0.291	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	88.8	169.8	-54.3	-172.4	-163	-172.7	4.6	108.2	G90 Q91 S92 F961 E1008	R88-G90 PolarHBondContact O-N 2.81Å; R88-Q91 HydrophobicContact CB-CB 3.9Å; R88-Q91 PolarHBondContact O-N 3.16Å; R88-S92 PolarHBondContact O-N 2.91Å; R88-F961 VanDerWaalsContact NH2-CZ 3.32Å; R88-E1008 IonicContact CZ-OE1 2.71Å; R88-E1008 IonicContact NH1-OE1 2.68Å; R88-E1008 PolarHBondContact NH1-OE1 2.82Å; R88-E1008 IonicContact NH2-OE1 2.69Å; R88-E1008 PolarHBondContact NH2-OE1 3.14Å
89	P	69.5	Low	84.7	Confident	101 Å²	101	55.7 Å²	55.7	66%	0.656	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128.2	-176.7	-24.5	31.7	0	0	0	111.9	W86 Q91	W86-P89 HydrophobicContact CB-CB 4.46Å; W86-P89 HydrophobicContact CB-CG 4.14Å; P89-Q91 PolarHBondContact O-N 2.84Å
90	G	66.4	Low	84.7	Confident	81 Å²	81	55.8 Å²	55.8	84%	0.835	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-2.9	-178.3	0	0	0	0	0	116.1	R88	R88-G90 PolarHBondContact O-N 2.81Å
91	Q	71.4	Confident	84.8	Confident	129 Å²	129	56.7 Å²	56.7	60%	0.603	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-37.7	175.8	-67	-177.6	-20.4	0	0	112.7	Y68 R88 P89	Y68-Q91 PolarHBondContact OH-O 3Å; R88-Q91 HydrophobicContact CB-CB 3.9Å; R88-Q91 PolarHBondContact O-N 3.16Å; P89-Q91 PolarHBondContact O-N 2.84Å
92	S	81.5	Confident	85	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.9	178.5	-178.3	0	0	0	0	111.5	C59 R88 S94	C59-S92 PolarHBondContact O-OG 3.46Å; C59-S92 VanDerWaalsContact O-OG 3.06Å; R88-S92 PolarHBondContact O-N 2.91Å; S92-S94 PolarHBondContact O-N 2.96Å; S92-S94 WeakPolarHBondContact OG-CB 3.28Å; S92-S94 PolarHBondContact OG-N 2.97Å; S92-S94 VanDerWaalsContact OG-N 3.15Å; S92-S94 PolarHBondContact OG-OG 2.8Å
93	G	87.2	Confident	85.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-2.6	169.9	0	0	0	0	0	114.4	C59 Y68 W70 W86 I95	C59-G93 CarbonylContact O-C 3.58Å; C59-G93 VanDerWaalsContact O-CA 3.3Å; C59-G93 WeakPolarHBondContact O-CA 3.3Å; C59-G93 PolarHBondContact O-N 2.83Å; Y68-G93 VanDerWaalsContact CE1-N 3.3Å; Y68-G93 VanDerWaalsContact CZ-N 3.26Å; W70-G93 PolarHBondContact NE1-O 2.81Å; W86-G93 WeakPolarHBondContact CZ3-O 3.5Å; G93-I95 PolarHBondContact O-N 2.85Å
94	S	93.1	Very high	85.4	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.028	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.1	-177.5	-53	0	0	0	0	111.5	L57 C59 Q87 S92	L57-S94 CarbonylContact O-C 3.57Å; L57-S94 VanDerWaalsContact O-CA 3.25Å; L57-S94 WeakPolarHBondContact O-CA 3.28Å; C59-S94 PolarHBondContact N-OG 2.85Å; C59-S94 PolarHBondContact O-N 2.85Å; C59-S94 VanDerWaalsContact O-N 3.13Å; C59-S94 PolarHBondContact O-OG 2.9Å; Q87-S94 PolarHBondContact N-O 3.49Å; S92-S94 PolarHBondContact O-N 2.96Å; S92-S94 WeakPolarHBondContact OG-CB 3.28Å; S92-S94 PolarHBondContact OG-N 2.97Å; S92-S94 VanDerWaalsContact OG-N 3.15Å; S92-S94 PolarHBondContact OG-OG 2.8Å
95	I	93.4	Very high	85.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.2	-178.4	57.7	170.5	0	0	0	111.9	T56 L57 W70 F77 V79 I84 V85 W86 G93 F97	T56-I95 CarbonylContact C-O 3.53Å; T56-I95 VanDerWaalsContact CA-O 3.31Å; T56-I95 WeakPolarHBondContact CA-O 3.38Å; L57-I95 HydrophobicContact CB-CG1 4.03Å; L57-I95 HydrophobicContact CD1-CD1 4.41Å; L57-I95 PolarHBondContact N-O 2.92Å; L57-I95 PolarHBondContact O-N 3.14Å; W70-I95 HydrophobicContact CD2-CD1 3.75Å; W70-I95 HydrophobicContact CD2-CG1 4.21Å; W70-I95 HydrophobicContact CE3-CD1 4.34Å; W70-I95 HydrophobicContact CG-CD1 3.86Å; W70-I95 HydrophobicContact CZ2-CD1 4.35Å; W70-I95 HydrophobicContact CZ2-CG1 3.9Å; F77-I95 HydrophobicContact CD1-CD1 4.43Å; F77-I95 HydrophobicContact CE1-CD1 4.23Å; V79-I95 HydrophobicContact CG1-CG2 4.28Å; V79-I95 HydrophobicContact CG2-CG2 3.76Å; I84-I95 HydrophobicContact CG2-CB 4.16Å; I84-I95 HydrophobicContact CG2-CD1 4.25Å; V85-I95 CarbonylContact O-C 3.48Å; V85-I95 WeakPolarHBondContact O-CA 3.34Å; W86-I95 HydrophobicContact CD2-CG2 3.93Å; W86-I95 HydrophobicContact CE3-CG2 3.54Å; W86-I95 HydrophobicContact CZ3-CG2 3.88Å; G93-I95 PolarHBondContact O-N 2.85Å; I95-F97 HydrophobicContact CD1-CE2 4.01Å; I95-F97 HydrophobicContact CD1-CZ 4.39Å; I95-F97 HydrophobicContact CG1-CE2 4.29Å
96	T	92.3	Very high	85.7	Confident	14 Å²	14	56.8 Å²	56.8	9%	0.086	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.1	-178.8	-58	0	0	0	0	110.6	K54 F55 T56 I84 V85 L98	K54-T96 HydrophobicContact CB-CG2 4.48Å; F55-T96 CarbonylContact O-C 3.34Å; F55-T96 WeakPolarHBondContact O-CA 3.42Å; T56-T96 PolarHBondContact OG1-OG1 2.83Å; I84-T96 WeakPolarHBondContact CA-O 3.31Å; V85-T96 PolarHBondContact N-O 3.31Å; V85-T96 PolarHBondContact O-N 2.96Å; T96-L98 HydrophobicContact CG2-CD2 3.93Å; T96-L98 PolarHBondContact O-N 3.04Å
97	F	92	Very high	85.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	106	171.4	-65.7	-111.7	0	0	0	107.6	K54 F55 L57 F77 I84 I95 P100 D104 Y108	K54-F97 VanDerWaalsContact CA-O 3.25Å; K54-F97 WeakPolarHBondContact CA-O 3.22Å; K54-F97 WeakPolarHBondContact CB-O 3.32Å; F55-F97 HydrophobicContact CD1-CB 3.91Å; F55-F97 HydrophobicContact CD1-CG 4.31Å; F55-F97 HydrophobicContact CD2-CD2 4.05Å; F55-F97 HydrophobicContact CE1-CB 3.67Å; F55-F97 HydrophobicContact CE1-CD1 4.04Å; F55-F97 HydrophobicContact CE1-CD2 4.06Å; F55-F97 AromaticContact CE1-CG 3.67Å; F55-F97 HydrophobicContact CE1-CG 3.67Å; F55-F97 HydrophobicContact CE2-CB 4.47Å; F55-F97 AromaticContact CE2-CD2 3.42Å; F55-F97 HydrophobicContact CE2-CD2 3.42Å; F55-F97 VanDerWaalsContact CE2-CD2 3.42Å; F55-F97 AromaticContact CE2-CE2 3.71Å; F55-F97 HydrophobicContact CE2-CE2 3.71Å; F55-F97 AromaticContact CE2-CG 3.94Å; F55-F97 HydrophobicContact CE2-CG 3.94Å; F55-F97 HydrophobicContact CE2-CZ 4.39Å; F55-F97 HydrophobicContact CG-CB 4.41Å; F55-F97 HydrophobicContact CZ-CB 3.97Å; F55-F97 AromaticContact CZ-CD1 3.77Å; F55-F97 HydrophobicContact CZ-CD1 3.77Å; F55-F97 AromaticContact CZ-CD2 3.43Å; F55-F97 HydrophobicContact CZ-CD2 3.43Å; F55-F97 VanDerWaalsContact CZ-CD2 3.43Å; F55-F97 HydrophobicContact CZ-CE1 4.07Å; F55-F97 AromaticContact CZ-CE2 3.78Å; F55-F97 HydrophobicContact CZ-CE2 3.78Å; F55-F97 AromaticContact CZ-CG 3.45Å; F55-F97 HydrophobicContact CZ-CG 3.45Å; F55-F97 VanDerWaalsContact CZ-CG 3.45Å; F55-F97 HydrophobicContact CZ-CZ 4.09Å; F55-F97 PolarHBondContact N-O 2.99Å; F55-F97 PolarHBondContact O-N 2.9Å; L57-F97 HydrophobicContact CD1-CE2 3.88Å; L57-F97 HydrophobicContact CD1-CZ 4.36Å; L57-F97 HydrophobicContact CG-CE2 4.01Å; F77-F97 HydrophobicContact CE1-CZ 4.35Å; F77-F97 HydrophobicContact CZ-CE1 4.49Å; F77-F97 HydrophobicContact CZ-CZ 4.44Å; I84-F97 HydrophobicContact CD1-CD1 3.62Å; I84-F97 HydrophobicContact CD1-CE1 3.35Å; I84-F97 HydrophobicContact CD1-CG 4.45Å; I84-F97 HydrophobicContact CD1-CZ 3.99Å; I84-F97 HydrophobicContact CG1-CD1 3.72Å; I84-F97 HydrophobicContact CG1-CE1 3.98Å; I84-F97 HydrophobicContact CG1-CG 4.19Å; I84-F97 HydrophobicContact CG2-CD2 4.33Å; I84-F97 HydrophobicContact CG2-CE2 4.32Å; I84-F97 HydrophobicContact CG2-CG 4.44Å; I84-F97 HydrophobicContact CG2-CZ 4.44Å; I95-F97 HydrophobicContact CD1-CE2 4.01Å; I95-F97 HydrophobicContact CD1-CZ 4.39Å; I95-F97 HydrophobicContact CG1-CE2 4.29Å; F97-P100 HydrophobicContact CB-CG 4.11Å; F97-D104 HydrophobicContact CD1-CB 4.1Å; F97-D104 HydrophobicContact CE1-CB 3.88Å; F97-Y108 AromaticContact CZ-CE1 3.95Å; F97-Y108 HydrophobicContact CZ-CE1 3.95Å; F97-Y108 AromaticContact CZ-CZ 3.93Å
98	L	87.7	Confident	86.6	Confident	69 Å²	69	54.6 Å²	54.6	36%	0.361	29%	0.294	S	S	.	.	S	Bend	trans	-79.6	-29.2	-178.4	-61.4	177.2	0	0	0	112.4	R83 V85 T96	R83-L98 PolarHBondContact O-N 2.83Å; V85-L98 HydrophobicContact CG1-CD1 3.78Å; V85-L98 HydrophobicContact CG2-CD1 3.9Å; V85-L98 HydrophobicContact CG2-CD2 4.2Å; V85-L98 HydrophobicContact CG2-CG 4.01Å; T96-L98 HydrophobicContact CG2-CD2 3.93Å; T96-L98 PolarHBondContact O-N 3.04Å
99	Q	86	Confident	87.4	Confident	117 Å²	117	52.4 Å²	52.4	55%	0.547	29%	0.287	S	S	.	.	S	Bend	trans	-138	89	173	-54.7	179.3	-0.5	0	0	109.2	P52 R83	P52-Q99 HydrophobicContact CB-CB 4.46Å; P52-Q99 HydrophobicContact CB-CG 4.31Å; P52-Q99 HydrophobicContact CG-CG 4.16Å; R83-Q99 HydrophobicContact CG-CB 4Å; R83-Q99 WeakPolarHBondContact CG-O 3.48Å; R83-Q99 PolarHBondContact NH1-O 3.46Å
100	P	88.2	Confident	88.6	Confident	16 Å²	16	47.6 Å²	47.6	10%	0.104	26%	0.256	C	S	.	.			trans	-62.1	147.2	176.8	-28	38.6	0	0	0	113.7	F44 Q53 F55 F97 D104	F44-P100 HydrophobicContact CD2-CB 3.47Å; F44-P100 VanDerWaalsContact CD2-CB 3.47Å; F44-P100 HydrophobicContact CD2-CG 4.27Å; F44-P100 HydrophobicContact CE2-CB 3.64Å; F44-P100 HydrophobicContact CG-CB 4.3Å; Q53-P100 WeakPolarHBondContact O-CD 3.28Å; Q53-P100 WeakPolarHBondContact O-CG 3.43Å; F55-P100 HydrophobicContact CD1-CB 4.19Å; F55-P100 HydrophobicContact CD1-CG 3.56Å; F55-P100 HydrophobicContact CE1-CB 3.92Å; F55-P100 HydrophobicContact CE1-CG 3.74Å; F97-P100 HydrophobicContact CB-CG 4.11Å; P100-D104 WeakPolarHBondContact CA-OD2 3.28Å
101	Q	88.2	Confident	89.9	Confident	96 Å²	96	44.6 Å²	44.6	45%	0.449	22%	0.222	S	C	.	.			trans	-129.5	158.8	180	-66.7	178	-19.6	0	0	110	F44 D103 D104	F44-Q101 WeakPolarHBondContact CZ-O 3.45Å; Q101-D103 PolarHBondContact O-N 2.69Å; Q101-D103 VanDerWaalsContact O-N 3.09Å; Q101-D104 PolarHBondContact N-OD2 2.76Å; Q101-D104 WeakPolarHBondContact O-CB 3.47Å; Q101-D104 PolarHBondContact O-N 2.84Å
102	V	87.7	Confident	90.9	Very high	73 Å²	73	38.4 Å²	38.4	44%	0.442	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-58	-29.1	-177.5	177.6	0	0	0	0	112.2	I46 D104 K105 I128	I46-V102 HydrophobicContact CD1-CG2 3.61Å; V102-D104 VanDerWaalsContact C-N 3.34Å; V102-K105 WeakPolarHBondContact O-CD 3.26Å; V102-K105 WeakPolarHBondContact O-CE 3.37Å; V102-K105 VanDerWaalsContact O-CG 3.32Å; V102-K105 WeakPolarHBondContact O-CG 3.2Å; V102-I128 HydrophobicContact CG2-CD1 4.2Å
103	D	90.2	Very high	91.4	Very high	117 Å²	117	39.5 Å²	39.5	63%	0.626	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-84.5	-3.2	179.4	-62.8	-34.3	0	0	0	113.9	K72 Q101 K105	K72-D103 PolarHBondContact NZ-O 2.79Å; Q101-D103 PolarHBondContact O-N 2.69Å; Q101-D103 VanDerWaalsContact O-N 3.09Å; D103-K105 PolarHBondContact O-N 3.01Å
104	D	91.6	Very high	91.5	Very high	4 Å²	4	40 Å²	40	2%	0.021	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-71.9	-13.9	171.5	-69.4	-37.5	0	0	0	113.2	F44 R83 F97 P100 Q101 V102 Y108	F44-D104 HydrophobicContact CZ-CB 4.34Å; R83-D104 IonicContact CZ-OD1 2.83Å; R83-D104 IonicContact CZ-OD2 2.93Å; R83-D104 IonicContact NH1-OD1 3.25Å; R83-D104 PolarHBondContact NH1-OD1 2.8Å; R83-D104 IonicContact NH1-OD2 4Å; R83-D104 PolarHBondContact NH1-OD2 3.11Å; R83-D104 IonicContact NH2-OD1 3.84Å; R83-D104 PolarHBondContact NH2-OD1 2.65Å; R83-D104 IonicContact NH2-OD2 2.97Å; F97-D104 HydrophobicContact CD1-CB 4.1Å; F97-D104 HydrophobicContact CE1-CB 3.88Å; P100-D104 WeakPolarHBondContact CA-OD2 3.28Å; Q101-D104 PolarHBondContact N-OD2 2.76Å; Q101-D104 WeakPolarHBondContact O-CB 3.47Å; Q101-D104 PolarHBondContact O-N 2.84Å; V102-D104 VanDerWaalsContact C-N 3.34Å; D104-Y108 WeakPolarHBondContact O-CE2 3.12Å; D104-Y108 VanDerWaalsContact O-CZ 3.32Å; D104-Y108 PolarHBondContact O-OH 2.85Å
105	K	92	Very high	91.3	Very high	98 Å²	98	45.2 Å²	45.2	43%	0.426	23%	0.23	S	C	.	.			trans	-55.2	152.3	171.4	70.2	-166	167.8	-157.5	0	112.6	K72 V102 D103 V126	K72-K105 WeakPolarHBondContact CE-O 3.43Å; V102-K105 WeakPolarHBondContact O-CD 3.26Å; V102-K105 WeakPolarHBondContact O-CE 3.37Å; V102-K105 VanDerWaalsContact O-CG 3.32Å; V102-K105 WeakPolarHBondContact O-CG 3.2Å; D103-K105 PolarHBondContact O-N 3.01Å; K105-V126 VanDerWaalsContact CA-O 3.27Å; K105-V126 WeakPolarHBondContact CA-O 3.02Å
106	G	93.2	Very high	91.1	Very high	14 Å²	14	47.9 Å²	47.9	14%	0.144	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.3	-173.4	173.7	0	0	0	0	0	114	Y108 V126	G106-Y108 WeakPolarHBondContact O-CD2 3.42Å; G106-V126 PolarHBondContact N-O 2.9Å; G106-V126 WeakPolarHBondContact O-CB 3.19Å; G106-V126 PolarHBondContact O-N 2.82Å
107	Y	94.6	Very high	91	Very high	130 Å²	130	47.5 Å²	47.5	51%	0.51	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	110.9	-175	-61.7	-68.9	0	0	0	110.8	K72 N73 I123 F124 D125	K72-Y107 CarbonylContact C-O 3.42Å; K72-Y107 WeakPolarHBondContact CA-O 3.27Å; N73-Y107 PolarHBondContact N-O 3.32Å; N73-Y107 PolarHBondContact OD1-N 2.87Å; Y107-I123 HydrophobicContact CD1-CG2 4.11Å; Y107-I123 HydrophobicContact CG-CG2 4.34Å; Y107-F124 CarbonylContact C-O 3.58Å; Y107-F124 WeakPolarHBondContact CA-O 3.37Å; Y107-D125 HydrophobicContact CD1-CB 4.07Å; Y107-D125 HydrophobicContact CE1-CB 3.92Å
108	Y	95.6	Very high	91.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	146.3	179.6	-69.3	-102.2	0	0	0	111.8	L57 W70 F71 K72 F77 F97 D104 G106 I123 F124 V126	L57-Y108 HydrophobicContact CD1-CD1 3.86Å; L57-Y108 HydrophobicContact CD1-CD2 4.15Å; L57-Y108 HydrophobicContact CD1-CE1 4.43Å; L57-Y108 HydrophobicContact CD1-CG 3.69Å; W70-Y108 HydrophobicContact CE3-CD1 4.47Å; F71-Y108 VanDerWaalsContact O-CA 3.25Å; F71-Y108 WeakPolarHBondContact O-CA 3.15Å; K72-Y108 HydrophobicContact CB-CD1 4.08Å; K72-Y108 HydrophobicContact CB-CE1 3.91Å; K72-Y108 HydrophobicContact CD-CE1 3.77Å; K72-Y108 HydrophobicContact CD-CE2 4.29Å; K72-Y108 WeakPolarHBondContact CD-OH 3.33Å; K72-Y108 WeakPolarHBondContact CE-OH 3.46Å; K72-Y108 HydrophobicContact CG-CD1 4.3Å; K72-Y108 HydrophobicContact CG-CE1 3.85Å; K72-Y108 HydrophobicContact CG-CE2 4.17Å; K72-Y108 PolarHBondContact NZ-OH 2.68Å; F77-Y108 HydrophobicContact CD1-CD1 4.44Å; F77-Y108 HydrophobicContact CD1-CE1 4.01Å; F77-Y108 HydrophobicContact CD2-CE1 4.36Å; F77-Y108 AromaticContact CE1-CE1 3.87Å; F77-Y108 HydrophobicContact CE1-CE1 3.87Å; F77-Y108 HydrophobicContact CE2-CE1 4.23Å; F77-Y108 HydrophobicContact CG-CE1 4.24Å; F77-Y108 AromaticContact CZ-CE1 3.97Å; F77-Y108 HydrophobicContact CZ-CE1 3.97Å; F97-Y108 AromaticContact CZ-CE1 3.95Å; F97-Y108 HydrophobicContact CZ-CE1 3.95Å; F97-Y108 AromaticContact CZ-CZ 3.93Å; D104-Y108 WeakPolarHBondContact O-CE2 3.12Å; D104-Y108 VanDerWaalsContact O-CZ 3.32Å; D104-Y108 PolarHBondContact O-OH 2.85Å; G106-Y108 WeakPolarHBondContact O-CD2 3.42Å; Y108-I123 CarbonylContact O-C 3.6Å; Y108-I123 WeakPolarHBondContact O-CA 3.35Å; Y108-F124 PolarHBondContact N-O 2.93Å; Y108-F124 WeakPolarHBondContact O-CD2 3.38Å; Y108-F124 PolarHBondContact O-N 3.19Å; Y108-V126 HydrophobicContact CD2-CB 3.94Å; Y108-V126 HydrophobicContact CD2-CG2 3.38Å; Y108-V126 HydrophobicContact CE2-CB 3.87Å; Y108-V126 HydrophobicContact CE2-CG1 4.38Å; Y108-V126 HydrophobicContact CE2-CG2 3.73Å; Y108-V126 HydrophobicContact CG-CG2 4.3Å
109	Q	94.1	Very high	91.4	Very high	32 Å²	32	45.7 Å²	45.7	15%	0.15	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	140.6	173.2	-160.9	176	9.4	0	0	109.8	F71 M120 S121 I123	F71-Q109 PolarHBondContact N-O 2.87Å; F71-Q109 PolarHBondContact O-N 2.84Å; Q109-M120 HydrophobicContact CG-CE 4.3Å; Q109-S121 WeakPolarHBondContact CG-O 3.26Å; Q109-S121 PolarHBondContact NE2-O 2.85Å; Q109-I123 HydrophobicContact CB-CG1 4.34Å; Q109-I123 HydrophobicContact CG-CG1 4.17Å
110	C	94.1	Very high	91.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.1	174.9	-169.9	0	0	0	0	109.8	C59 W70 M120 S121	C59-C110 HydrophobicContact CB-CB 3.7Å; C59-C110 WeakPolarHBondContact CB-SG 3.49Å; C59-C110 WeakPolarHBondContact SG-CB 3.21Å; C59-C110 CovalentContact SG-SG 2.04Å; C59-C110 PolarHBondContact SG-SG 2.82Å; W70-C110 HydrophobicContact CD2-CB 4.31Å; W70-C110 HydrophobicContact CE3-CB 4.19Å; W70-C110 HydrophobicContact CH2-CB 3.88Å; W70-C110 HydrophobicContact CZ2-CB 3.98Å; W70-C110 HydrophobicContact CZ3-CB 3.99Å; C110-M120 WeakPolarHBondContact O-CA 3.29Å; C110-S121 PolarHBondContact N-OG 3.32Å; C110-S121 PolarHBondContact O-N 2.91Å
111	S	93.1	Very high	91.9	Very high	17 Å²	17	40.2 Å²	40.2	12%	0.119	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.1	171.3	174.5	0	0	0	0	108.9	Y68 Q69 V118 A119	Y68-S111 WeakPolarHBondContact CA-O 3.27Å; Q69-S111 PolarHBondContact N-O 2.9Å; Q69-S111 PolarHBondContact O-N 3.37Å; S111-V118 WeakPolarHBondContact OG-CG1 3.31Å; S111-A119 WeakPolarHBondContact CA-O 3.47Å
112	V	92.5	Very high	92	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.2	-174.5	-169.7	0	0	0	0	108.4	P32 L34 A61 P65 R67 Y68 V118 A119	P32-V112 HydrophobicContact CB-CB 4.48Å; P32-V112 HydrophobicContact CB-CG1 4.08Å; L34-V112 HydrophobicContact CD2-CG2 3.81Å; L34-V112 HydrophobicContact CG-CG2 4.28Å; A61-V112 HydrophobicContact CB-CB 4.43Å; A61-V112 HydrophobicContact CB-CG1 3.83Å; A61-V112 HydrophobicContact CB-CG2 4.2Å; P65-V112 HydrophobicContact CB-CG1 3.27Å; P65-V112 HydrophobicContact CG-CG1 4.02Å; R67-V112 WeakPolarHBondContact O-CA 3.43Å; Y68-V112 HydrophobicContact CD1-CB 4.38Å; Y68-V112 HydrophobicContact CD1-CG1 4.07Å; Y68-V112 HydrophobicContact CD1-CG2 3.72Å; Y68-V112 HydrophobicContact CE1-CB 4.44Å; Y68-V112 HydrophobicContact CE1-CG1 3.85Å; Y68-V112 HydrophobicContact CE1-CG2 3.78Å; V112-V118 CarbonylContact O-C 3.52Å; V112-V118 VanDerWaalsContact O-CA 3.29Å; V112-V118 WeakPolarHBondContact O-CA 3.35Å; V112-A119 PolarHBondContact N-O 2.94Å; V112-A119 PolarHBondContact O-N 3.22Å
113	S	92.4	Very high	92.2	Very high	29 Å²	29	35.5 Å²	35.5	20%	0.203	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.6	-176.1	64.6	0	0	0	0	114	E66 R67 G117	E66-S113 PolarHBondContact N-O 2.76Å; R67-S113 PolarHBondContact N-O 2.99Å; R67-S113 PolarHBondContact O-N 3.42Å; S113-G117 VanDerWaalsContact CA-O 3.3Å; S113-G117 WeakPolarHBondContact CA-O 3.29Å
114	N	90	Very high	92.3	Very high	11 Å²	11	30 Å²	30	6%	0.059	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-171	166	75.2	13.1	0	0	0	110	I28 S30 P32 G63 E66 F116 G117	I28-N114 HydrophobicContact CD1-CB 4.44Å; I28-N114 HydrophobicContact CG2-CB 4.13Å; I28-N114 WeakPolarHBondContact CG2-ND2 3.21Å; S30-N114 PolarHBondContact O-ND2 3.28Å; P32-N114 WeakPolarHBondContact CD-OD1 3.2Å; G63-N114 PolarHBondContact O-ND2 2.89Å; E66-N114 HydrophobicContact CG-CB 4.18Å; E66-N114 VanDerWaalsContact OE2-CA 3.29Å; E66-N114 WeakPolarHBondContact OE2-CA 3.38Å; N114-F116 PolarHBondContact O-N 3.5Å; N114-F116 VanDerWaalsContact O-N 3.11Å; N114-F116 WeakPolarHBondContact OD1-CB 3.42Å; N114-F116 PolarHBondContact OD1-N 2.68Å; N114-G117 PolarHBondContact N-O 3.2Å; N114-G117 PolarHBondContact O-N 3.48Å; N114-G117 VanDerWaalsContact O-O 3.11Å
115	I	89.2	Confident	92.3	Very high	113 Å²	113	31.1 Å²	31.1	58%	0.579	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-23.3	179.2	64.9	173.4	0	0	0	116.2	I28 E66	I28-I115 HydrophobicContact CB-CD1 3.97Å; I28-I115 HydrophobicContact CB-CG1 4.15Å; I28-I115 HydrophobicContact CD1-CG2 4.35Å; I28-I115 HydrophobicContact CG2-CD1 4.34Å; I28-I115 HydrophobicContact CG2-CG1 4.04Å; E66-I115 PolarHBondContact OE2-N 3.47Å
116	F	88.5	Confident	92.4	Very high	55 Å²	55	26.5 Å²	26.5	24%	0.241	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.8	178.6	-64.6	-82.1	0	0	0	113.8	I28 S30 P31 N114 F421	I28-F116 HydrophobicContact CG2-CD2 4.24Å; I28-F116 HydrophobicContact CG2-CE2 4.11Å; I28-F116 WeakPolarHBondContact O-CE2 3.37Å; S30-F116 VanDerWaalsContact C-CD2 3.42Å; S30-F116 VanDerWaalsContact N-CE2 3.33Å; S30-F116 VanDerWaalsContact O-CD2 3.26Å; S30-F116 WeakPolarHBondContact O-CD2 3.41Å; P31-F116 HydrophobicContact CB-CB 4.01Å; N114-F116 PolarHBondContact O-N 3.5Å; N114-F116 VanDerWaalsContact O-N 3.11Å; N114-F116 WeakPolarHBondContact OD1-CB 3.42Å; N114-F116 PolarHBondContact OD1-N 2.68Å; F116-F421 HydrophobicContact CB-CE2 3.97Å; F116-F421 HydrophobicContact CB-CZ 4.17Å; F116-F421 HydrophobicContact CD1-CE1 4.46Å; F116-F421 HydrophobicContact CD1-CE2 4.36Å; F116-F421 AromaticContact CD1-CZ 3.72Å; F116-F421 HydrophobicContact CD1-CZ 3.72Å; F116-F421 HydrophobicContact CG-CZ 4.32Å
117	G	90.9	Very high	92.3	Very high	7 Å²	7	28.5 Å²	28.5	7%	0.072	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.3	-153	178.2	0	0	0	0	0	114.8	S113 N114 N369	S113-G117 VanDerWaalsContact CA-O 3.3Å; S113-G117 WeakPolarHBondContact CA-O 3.29Å; N114-G117 PolarHBondContact N-O 3.2Å; N114-G117 PolarHBondContact O-N 3.48Å; N114-G117 VanDerWaalsContact O-O 3.11Å; G117-N369 WeakPolarHBondContact CA-OD1 3.3Å
118	V	93.7	Very high	92	Very high	30 Å²	30	23.9 Å²	23.9	18%	0.182	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	123.3	-171.1	-172.6	0	0	0	0	111	S111 V112 N369 V404 Q406	S111-V118 WeakPolarHBondContact OG-CG1 3.31Å; V112-V118 CarbonylContact O-C 3.52Å; V112-V118 VanDerWaalsContact O-CA 3.29Å; V112-V118 WeakPolarHBondContact O-CA 3.35Å; V118-N369 HydrophobicContact CB-CB 4.01Å; V118-N369 HydrophobicContact CG2-CB 3.97Å; V118-N369 PolarHBondContact N-OD1 3.19Å; V118-V404 WeakPolarHBondContact O-CB 3.38Å; V118-Q406 PolarHBondContact O-NE2 2.82Å
119	A	93.1	Very high	91.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	154.9	168.5	0	0	0	0	0	111.6	P32 L34 S111 V112 V404 N419	P32-A119 HydrophobicContact CB-CB 4.42Å; P32-A119 HydrophobicContact CG-CB 4.2Å; P32-A119 VanDerWaalsContact O-CB 3.26Å; P32-A119 WeakPolarHBondContact O-CB 3.46Å; L34-A119 HydrophobicContact CD1-CB 4.11Å; S111-A119 WeakPolarHBondContact CA-O 3.47Å; V112-A119 PolarHBondContact N-O 2.94Å; V112-A119 PolarHBondContact O-N 3.22Å; A119-V404 HydrophobicContact CB-CG1 4.49Å; A119-N419 WeakPolarHBondContact CA-OD1 3.33Å
120	M	93	Very high	91.3	Very high	18 Å²	18	24.8 Å²	24.8	9%	0.089	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.4	175.4	-57.9	-168.5	83.5	0	0	111.9	L34 Q109 C110 G370 F417 N419	L34-M120 VanDerWaalsContact CD1-O 3.23Å; L34-M120 WeakPolarHBondContact CD1-O 3.44Å; Q109-M120 HydrophobicContact CG-CE 4.3Å; C110-M120 WeakPolarHBondContact O-CA 3.29Å; M120-G370 WeakPolarHBondContact SD-CA 3.25Å; M120-F417 HydrophobicContact CB-CE1 3.9Å; M120-F417 HydrophobicContact CB-CZ 3.97Å; M120-F417 WeakPolarHBondContact O-CE1 3.34Å; M120-N419 PolarHBondContact N-OD1 2.84Å; M120-N419 PolarHBondContact O-ND2 2.84Å
121	S	93.1	Very high	91	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-71.6	168.8	170.2	74.6	0	0	0	0	110.8	L34 E37 Q109 C110 F124	L34-S121 VanDerWaalsContact CD1-N 3.33Å; E37-S121 WeakPolarHBondContact OE2-CB 3.46Å; Q109-S121 WeakPolarHBondContact CG-O 3.26Å; Q109-S121 PolarHBondContact NE2-O 2.85Å; C110-S121 PolarHBondContact N-OG 3.32Å; C110-S121 PolarHBondContact O-N 2.91Å; S121-F124 WeakPolarHBondContact OG-CZ 3.26Å
122	H	89.8	Confident	90.8	Very high	16 Å²	16	28.2 Å²	28.2	7%	0.074	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-68	165.6	159.5	77.7	-105.7	0	0	0	111.2	E37 S38 R40 F124 Y415 F417	E37-H122 IonicContact OE1-CE1 3.48Å; E37-H122 PolarHBondContact OE1-CE1 2.78Å; E37-H122 IonicContact OE1-CG 2.77Å; E37-H122 IonicContact OE1-ND1 3.63Å; E37-H122 PolarHBondContact OE1-ND1 2.74Å; E37-H122 IonicContact OE2-CE1 2.78Å; E37-H122 IonicContact OE2-CG 2.78Å; E37-H122 PolarHBondContact OE2-N 2.89Å; E37-H122 IonicContact OE2-ND1 2.68Å; E37-H122 PolarHBondContact OE2-ND1 2.89Å; S38-H122 PolarHBondContact O-CE1 2.69Å; S38-H122 PolarHBondContact O-NE2 3.4Å; R40-H122 WeakPolarHBondContact CA-NE2 3.37Å; R40-H122 VanDerWaalsContact CG-CD2 3.48Å; R40-H122 WeakPolarHBondContact CG-CD2 3.25Å; R40-H122 WeakPolarHBondContact CG-NE2 3.39Å; R40-H122 PolarHBondContact N-NE2 2.83Å; H122-F124 AromaticContact CD2-CD1 3.77Å; H122-F124 AromaticContact CD2-CE1 3.81Å; H122-F124 AromaticContact CE1-CE1 3.73Å; H122-F124 AromaticContact NE2-CD1 3.5Å; H122-F124 WeakPolarHBondContact NE2-CD1 3.45Å; H122-F124 AromaticContact NE2-CE1 3.53Å; H122-Y415 HydrophobicContact CB-CE2 4Å; H122-Y415 WeakPolarHBondContact CB-OH 3.15Å; H122-Y415 PolarHBondContact CD2-OH 2.7Å; H122-F417 HydrophobicContact CB-CB 4.35Å
123	I	91.4	Very high	90.6	Very high	55 Å²	55	34.7 Å²	34.7	28%	0.282	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-84.4	121.8	-180	-58.3	172.1	0	0	0	110.1	Y107 Y108 Q109 Y415	Y107-I123 HydrophobicContact CD1-CG2 4.11Å; Y107-I123 HydrophobicContact CG-CG2 4.34Å; Y108-I123 CarbonylContact O-C 3.6Å; Y108-I123 WeakPolarHBondContact O-CA 3.35Å; Q109-I123 HydrophobicContact CB-CG1 4.34Å; Q109-I123 HydrophobicContact CG-CG1 4.17Å; I123-Y415 WeakPolarHBondContact CA-OH 3.36Å; I123-Y415 PolarHBondContact N-OH 3.09Å; I123-Y415 PolarHBondContact O-OH 2.79Å
124	F	92.6	Very high	90.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.7	175.8	-38.5	-65.2	0	0	0	110.8	E37 S38 W70 Y107 Y108 S121 H122 V126	E37-F124 HydrophobicContact CB-CE1 4Å; E37-F124 HydrophobicContact CB-CZ 3.9Å; S38-F124 VanDerWaalsContact O-CE1 3.24Å; S38-F124 WeakPolarHBondContact O-CE1 2.99Å; W70-F124 HydrophobicContact CH2-CD2 4.14Å; W70-F124 AromaticContact CH2-CE2 3.64Å; W70-F124 HydrophobicContact CH2-CE2 3.64Å; W70-F124 AromaticContact CZ3-CD2 3.81Å; W70-F124 HydrophobicContact CZ3-CD2 3.81Å; W70-F124 AromaticContact CZ3-CE2 3.61Å; W70-F124 HydrophobicContact CZ3-CE2 3.61Å; Y107-F124 CarbonylContact C-O 3.58Å; Y107-F124 WeakPolarHBondContact CA-O 3.37Å; Y108-F124 PolarHBondContact N-O 2.93Å; Y108-F124 WeakPolarHBondContact O-CD2 3.38Å; Y108-F124 PolarHBondContact O-N 3.19Å; S121-F124 WeakPolarHBondContact OG-CZ 3.26Å; H122-F124 AromaticContact CD2-CD1 3.77Å; H122-F124 AromaticContact CD2-CE1 3.81Å; H122-F124 AromaticContact CE1-CE1 3.73Å; H122-F124 AromaticContact NE2-CD1 3.5Å; H122-F124 WeakPolarHBondContact NE2-CD1 3.45Å; H122-F124 AromaticContact NE2-CE1 3.53Å; F124-V126 PolarHBondContact O-N 2.82Å
125	D	92.3	Very high	90.2	Very high	28 Å²	28	42.5 Å²	42.5	15%	0.15	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	96.2	176.9	-177	0	0	0	0	109.5	R40 Q41 V42 Y107 K127	R40-D125 VanDerWaalsContact O-CB 3.32Å; R40-D125 WeakPolarHBondContact O-CB 3.42Å; R40-D125 PolarHBondContact O-N 2.89Å; Q41-D125 WeakPolarHBondContact CA-O 3.29Å; Q41-D125 HydrophobicContact CG-CB 4.3Å; V42-D125 PolarHBondContact N-O 3.01Å; Y107-D125 HydrophobicContact CD1-CB 4.07Å; Y107-D125 HydrophobicContact CE1-CB 3.92Å; D125-K127 VanDerWaalsContact CG-CE 3.43Å; D125-K127 VanDerWaalsContact CG-NZ 3.35Å; D125-K127 WeakPolarHBondContact OD1-CE 3.46Å; D125-K127 IonicContact OD1-NZ 3.15Å; D125-K127 WeakPolarHBondContact OD2-CE 3.27Å; D125-K127 IonicContact OD2-NZ 3.4Å; D125-K127 PolarHBondContact OD2-NZ 2.04Å
126	V	93.5	Very high	89.8	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.6	-175.5	-179.1	0	0	0	0	109.9	V42 F44 F55 L57 K105 G106 Y108 F124	V42-V126 HydrophobicContact CB-CG2 4.26Å; V42-V126 CarbonylContact O-C 3.45Å; V42-V126 WeakPolarHBondContact O-CA 3.33Å; F44-V126 HydrophobicContact CD1-CG1 3.9Å; F44-V126 HydrophobicContact CE1-CG1 3.93Å; F55-V126 HydrophobicContact CE2-CG1 4.1Å; F55-V126 HydrophobicContact CZ-CG1 3.87Å; L57-V126 HydrophobicContact CD1-CG2 4.22Å; L57-V126 HydrophobicContact CD2-CG2 3.92Å; K105-V126 VanDerWaalsContact CA-O 3.27Å; K105-V126 WeakPolarHBondContact CA-O 3.02Å; G106-V126 PolarHBondContact N-O 2.9Å; G106-V126 WeakPolarHBondContact O-CB 3.19Å; G106-V126 PolarHBondContact O-N 2.82Å; Y108-V126 HydrophobicContact CD2-CB 3.94Å; Y108-V126 HydrophobicContact CD2-CG2 3.38Å; Y108-V126 HydrophobicContact CE2-CB 3.87Å; Y108-V126 HydrophobicContact CE2-CG1 4.38Å; Y108-V126 HydrophobicContact CE2-CG2 3.73Å; Y108-V126 HydrophobicContact CG-CG2 4.3Å; F124-V126 PolarHBondContact O-N 2.82Å
127	K	91.4	Very high	89.4	Confident	56 Å²	56	48.4 Å²	48.4	24%	0.243	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.9	-172.1	-71.2	178.9	176.2	138.9	0	112.6	V42 W43 F44 D125	V42-K127 PolarHBondContact O-N 3.29Å; W43-K127 WeakPolarHBondContact CA-O 3.3Å; W43-K127 HydrophobicContact CD2-CB 3.88Å; W43-K127 HydrophobicContact CE3-CB 3.5Å; W43-K127 VanDerWaalsContact CE3-CB 3.5Å; W43-K127 HydrophobicContact CH2-CB 4.04Å; W43-K127 HydrophobicContact CH2-CD 3.57Å; W43-K127 HydrophobicContact CH2-CG 4.44Å; W43-K127 HydrophobicContact CZ2-CB 4.36Å; W43-K127 HydrophobicContact CZ2-CD 3.61Å; W43-K127 HydrophobicContact CZ3-CB 3.59Å; W43-K127 HydrophobicContact CZ3-CD 4.03Å; W43-K127 HydrophobicContact CZ3-CG 4.42Å; F44-K127 WeakPolarHBondContact CD1-O 3.43Å; F44-K127 PolarHBondContact N-O 2.68Å; D125-K127 VanDerWaalsContact CG-CE 3.43Å; D125-K127 VanDerWaalsContact CG-NZ 3.35Å; D125-K127 WeakPolarHBondContact OD1-CE 3.46Å; D125-K127 IonicContact OD1-NZ 3.15Å; D125-K127 WeakPolarHBondContact OD2-CE 3.27Å; D125-K127 IonicContact OD2-NZ 3.4Å; D125-K127 PolarHBondContact OD2-NZ 2.04Å
128	I	88.1	Confident	89.3	Confident	32 Å²	32	53.2 Å²	53.2	16%	0.164	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.1	175.1	-168.5	169.1	0	0	0	111.3	F44 I46 V102 V130	F44-I128 HydrophobicContact CE1-CB 4.23Å; F44-I128 HydrophobicContact CE2-CB 4.38Å; F44-I128 HydrophobicContact CE2-CD1 4.11Å; F44-I128 HydrophobicContact CE2-CG1 4.1Å; F44-I128 HydrophobicContact CZ-CB 4Å; F44-I128 HydrophobicContact CZ-CD1 4.33Å; F44-I128 HydrophobicContact CZ-CG1 4.23Å; F44-I128 CarbonylContact O-C 3.39Å; F44-I128 VanDerWaalsContact O-CA 3.3Å; F44-I128 WeakPolarHBondContact O-CA 3.04Å; I46-I128 HydrophobicContact CD1-CD1 3.77Å; I46-I128 HydrophobicContact CG1-CD1 3.97Å; V102-I128 HydrophobicContact CG2-CD1 4.2Å; I128-V130 HydrophobicContact CG1-CG2 4.37Å; I128-V130 HydrophobicContact CG2-CG2 4.44Å
129	G	87.5	Confident	89.1	Confident	5 Å²	5	54.8 Å²	54.8	5%	0.052	27%	0.269	C	S	.	.			trans	-84.2	132.3	171.8	0	0	0	0	0	111.6	F44 M160	F44-G129 PolarHBondContact O-N 2.71Å; G129-M160 CarbonylContact C-O 3.51Å; G129-M160 WeakPolarHBondContact CA-O 2.98Å
130	V	86.5	Confident	89	Confident	46 Å²	46	59.9 Å²	59.9	28%	0.279	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.5	-177.7	-175.8	0	0	0	0	110.2	I128 Y158 G159 M160	I128-V130 HydrophobicContact CG1-CG2 4.37Å; I128-V130 HydrophobicContact CG2-CG2 4.44Å; V130-Y158 HydrophobicContact CG1-CD1 4.5Å; V130-Y158 HydrophobicContact CG1-CE1 4.39Å; V130-G159 CarbonylContact O-C 3.59Å; V130-G159 WeakPolarHBondContact O-CA 3.32Å; V130-M160 PolarHBondContact N-O 2.97Å; V130-M160 PolarHBondContact O-N 2.83Å
131	L	88.4	Confident	89	Confident	13 Å²	13	63.1 Å²	63.1	7%	0.068	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	113.9	165.8	180	56.1	0	0	0	110	P157 P163 A214 L219 R224	L131-P157 HydrophobicContact CD1-CG 3.96Å; L131-P163 HydrophobicContact CD1-CB 3.78Å; L131-P163 HydrophobicContact CD1-CG 4.16Å; L131-A214 HydrophobicContact CD1-CB 4.33Å; L131-L219 HydrophobicContact CB-CD1 3.49Å; L131-L219 VanDerWaalsContact CB-CD1 3.49Å; L131-R224 HydrophobicContact CD2-CG 3.87Å; L131-R224 HydrophobicContact CG-CG 3.88Å
132	N	88.6	Confident	89	Confident	76 Å²	76	64.5 Å²	64.5	41%	0.406	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-74.4	156.2	177.2	-69.3	7.3	0	0	0	110.9	P157 Y158	N132-P157 HydrophobicContact CB-CB 4.27Å; N132-P157 VanDerWaalsContact O-CB 3.29Å; N132-P157 WeakPolarHBondContact O-CB 3.46Å; N132-Y158 WeakPolarHBondContact CB-O 3.3Å; N132-Y158 PolarHBondContact N-O 2.8Å
133	H	87.6	Confident	89.1	Confident	137 Å²	137	69.5 Å²	69.5	63%	0.634	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-69.6	153.9	166.1	-67.6	77.6	0	0	0	110.2
134	F	89.7	Confident	89	Confident	21 Å²	21	67.4 Å²	67.4	9%	0.092	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-67.2	155.7	165.8	-74.2	-103.5	0	0	0	110.9	C154 N155 P157 A214 R224 A225 G226	F134-C154 VanDerWaalsContact CE1-SG 3.56Å; F134-N155 WeakPolarHBondContact CD1-O 3.43Å; F134-N155 WeakPolarHBondContact CE1-O 3.4Å; F134-P157 HydrophobicContact CD2-CG 4.01Å; F134-P157 HydrophobicContact CE2-CG 3.85Å; F134-P157 HydrophobicContact CG-CG 4.45Å; F134-P157 HydrophobicContact CZ-CG 4.17Å; F134-A214 HydrophobicContact CE2-CB 3.61Å; F134-A214 HydrophobicContact CZ-CB 3.92Å; F134-R224 HydrophobicContact CD2-CB 3.97Å; F134-R224 HydrophobicContact CE2-CB 4.18Å; F134-R224 VanDerWaalsContact CE2-O 3.27Å; F134-R224 WeakPolarHBondContact CE2-O 3.28Å; F134-A225 WeakPolarHBondContact CD2-O 3.34Å; F134-G226 VanDerWaalsContact CD1-CA 3.43Å
135	E	86	Confident	88.7	Confident	183 Å²	183	70 Å²	70	86%	0.855	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-67.5	136.3	166	-63.9	-174	170.1	0	0	110	S137	E135-S137 PolarHBondContact O-N 3.35Å
136	R	80.1	Confident	88.5	Confident	255 Å²	255	69.7 Å²	69.7	96%	0.962	34%	0.342	S	S	*	.			trans	-73.3	108.9	-178.9	-72.6	-175.5	175.8	-175.4	-1.3	110.8
137	S	80.9	Confident	88.1	Confident	36 Å²	36	69.6 Å²	69.6	25%	0.252	34%	0.342	S	S	.	.			trans	-108.9	148.1	171.2	68.7	0	0	0	0	112.3	E135 D227	E135-S137 PolarHBondContact O-N 3.35Å; S137-D227 PolarHBondContact OG-OD1 3.26Å
138	P	88	Confident	88	Confident	109 Å²	109	71.6 Å²	71.6	71%	0.708	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-68.5	161.8	166.4	32.1	-35.9	0	0	0	111.7	R140	P138-R140 WeakPolarHBondContact O-CG 3.44Å; P138-R140 PolarHBondContact O-N 2.84Å
139	I	89	Confident	88.2	Confident	62 Å²	62	72.1 Å²	72.1	32%	0.318	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-55.7	127	173	-58.4	172.4	0	0	0	109.4	V209 E228 R230	I139-V209 HydrophobicContact CD1-CG2 4.3Å; I139-E228 WeakPolarHBondContact CA-O 3.22Å; I139-E228 HydrophobicContact CB-CB 4.44Å; I139-E228 HydrophobicContact CG1-CB 3.88Å; I139-E228 VanDerWaalsContact CG1-OE2 3.27Å; I139-E228 WeakPolarHBondContact CG1-OE2 3.45Å; I139-R230 HydrophobicContact CG2-CB 3.98Å
140	R	91.5	Very high	88.5	Confident	108 Å²	108	73.1 Å²	73.1	41%	0.408	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.8	-178.1	-50.1	-173.3	-164.2	-150.7	6.7	110.5	P138 N155 D227 E228 F229 R230	P138-R140 WeakPolarHBondContact O-CG 3.44Å; P138-R140 PolarHBondContact O-N 2.84Å; R140-N155 PolarHBondContact NH2-ND2 2.77Å; R140-D227 IonicContact CZ-OD1 2.76Å; R140-D227 IonicContact NE-OD1 3.04Å; R140-D227 IonicContact NH2-OD1 3.67Å; R140-D227 PolarHBondContact NH2-OD1 2.86Å; R140-E228 PolarHBondContact N-O 2.91Å; R140-F229 HydrophobicContact CB-CD1 3.95Å; R140-F229 HydrophobicContact CB-CE1 4.25Å; R140-F229 WeakPolarHBondContact O-CA 3.48Å; R140-R230 PolarHBondContact O-N 3.43Å
141	D	92.2	Very high	88.9	Confident	85 Å²	85	73.7 Å²	73.7	46%	0.455	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.7	173.2	-77	-42.6	0	0	0	111.3	R230 V232	D141-R230 VanDerWaalsContact CG-NH2 3.3Å; D141-R230 IonicContact OD1-CZ 3.86Å; D141-R230 VanDerWaalsContact OD1-CZ 3.25Å; D141-R230 IonicContact OD1-NE 3.23Å; D141-R230 PolarHBondContact OD1-NE 2.87Å; D141-R230 IonicContact OD1-NH2 3.76Å; D141-R230 PolarHBondContact OD1-NH2 3.27Å; D141-R230 IonicContact OD2-CZ 2.86Å; D141-R230 IonicContact OD2-NE 2.68Å; D141-R230 IonicContact OD2-NH2 3.61Å; D141-R230 PolarHBondContact OD2-NH2 3.34Å; D141-V232 HydrophobicContact CB-CG2 4.41Å
142	V	93	Very high	89.2	Confident	30 Å²	30	73.2 Å²	73.2	18%	0.182	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	103.9	-176.9	-177.9	0	0	0	0	109.5	V144 L150 L152 F229 R230 L231 V232	V142-V144 PolarHBondContact O-N 2.89Å; V142-L150 HydrophobicContact CG1-CD1 3.91Å; V142-L150 HydrophobicContact CG1-CD2 4.14Å; V142-L152 HydrophobicContact CB-CD2 4.39Å; V142-L152 HydrophobicContact CG1-CD2 4.14Å; V142-L152 HydrophobicContact CG2-CD2 3.93Å; V142-F229 HydrophobicContact CG2-CD1 3.91Å; V142-R230 PolarHBondContact N-O 3.46Å; V142-L231 HydrophobicContact CB-CD2 3.87Å; V142-L231 HydrophobicContact CG1-CD2 4.23Å; V142-V232 PolarHBondContact O-N 2.86Å
143	M	91.7	Very high	89.5	Confident	120 Å²	120	78.6 Å²	78.6	59%	0.591	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.2	176.8	-51.7	-53.9	-59.2	0	0	110.2	V232 T234	M143-V232 WeakPolarHBondContact CA-O 3.3Å; M143-V232 HydrophobicContact CE-CB 3.96Å; M143-V232 HydrophobicContact CE-CG1 3.55Å; M143-V232 HydrophobicContact SD-CB 3.76Å; M143-V232 HydrophobicContact SD-CG1 3.91Å; M143-V232 HydrophobicContact SD-CG2 4.35Å; M143-T234 HydrophobicContact CB-CG2 3.89Å; M143-T234 HydrophobicContact CE-CG2 3.54Å
144	V	89.4	Confident	89.6	Confident	11 Å²	11	72.6 Å²	72.6	7%	0.067	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158	-177.1	65.2	0	0	0	0	112.1	V142 L150 V199 V232 L233 T234	V142-V144 PolarHBondContact O-N 2.89Å; V144-L150 HydrophobicContact CB-CD2 4.48Å; V144-L150 HydrophobicContact CG2-CB 4.48Å; V144-L150 HydrophobicContact CG2-CD2 4.33Å; V144-V199 HydrophobicContact CG1-CB 4.49Å; V144-V199 HydrophobicContact CG1-CG1 4.01Å; V144-V199 HydrophobicContact CG1-CG2 4.48Å; V144-V199 HydrophobicContact CG2-CB 4.23Å; V144-V199 HydrophobicContact CG2-CG2 3.88Å; V144-V232 PolarHBondContact N-O 2.8Å; V144-L233 HydrophobicContact CG1-CD2 4.15Å; V144-L233 WeakPolarHBondContact O-CA 3.35Å; V144-T234 PolarHBondContact O-N 3.33Å; V144-T234 PolarHBondContact O-OG1 3.27Å
145	V	87.8	Confident	89.7	Confident	55 Å²	55	76.1 Å²	76.1	33%	0.333	37%	0.37	S	S	.	.			trans	-105.1	135.4	176.6	172.4	0	0	0	0	108.8	G147 Q148 T234 N235	V145-G147 PolarHBondContact O-N 2.91Å; V145-Q148 HydrophobicContact CB-CG 3.86Å; V145-Q148 HydrophobicContact CG1-CG 4.07Å; V145-Q148 WeakPolarHBondContact O-CB 3.44Å; V145-Q148 PolarHBondContact O-N 2.9Å; V145-T234 VanDerWaalsContact CG2-OG1 3.26Å; V145-T234 WeakPolarHBondContact CG2-OG1 3.28Å; V145-N235 HydrophobicContact CG1-CB 4.42Å
146	E	87.5	Confident	89.8	Confident	22 Å²	22	72.7 Å²	72.7	10%	0.103	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	133.5	-179.5	-163.6	-144.2	145.2	0	0	112.1	Q148 P201 L233 N235 T236 G238 R271	E146-Q148 VanDerWaalsContact C-N 3.31Å; E146-Q148 PolarHBondContact O-N 3.08Å; E146-P201 HydrophobicContact CG-CG 4.03Å; E146-L233 HydrophobicContact CB-CD2 4.03Å; E146-N235 VanDerWaalsContact CB-O 3.3Å; E146-N235 WeakPolarHBondContact CB-O 3.46Å; E146-N235 PolarHBondContact N-O 3.42Å; E146-T236 VanDerWaalsContact OE2-C 3.22Å; E146-T236 WeakPolarHBondContact OE2-CA 3.17Å; E146-G238 WeakPolarHBondContact O-CA 3.4Å; E146-G238 WeakPolarHBondContact OE2-CA 3.38Å; E146-G238 PolarHBondContact OE2-N 3.34Å; E146-R271 IonicContact OE1-CZ 3.24Å; E146-R271 IonicContact OE1-NH1 2.81Å; E146-R271 PolarHBondContact OE1-NH1 3.31Å; E146-R271 IonicContact OE1-NH2 3.56Å; E146-R271 PolarHBondContact OE1-NH2 2.83Å
147	G	86	Confident	90.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-5.4	-180	0	0	0	0	0	115.8	V145 V199 T242	V145-G147 PolarHBondContact O-N 2.91Å; G147-V199 PolarHBondContact N-O 2.81Å; G147-T242 WeakPolarHBondContact O-CG2 3.19Å; G147-T242 PolarHBondContact O-OG1 2.89Å
148	Q	88.8	Confident	90.8	Very high	97 Å²	97	65.9 Å²	65.9	45%	0.453	32%	0.324	S	S	.	.			trans	-81.4	148.4	171.6	-63.3	-61	-28.5	0	0	111.5	V145 E146 Y198 V199	V145-Q148 HydrophobicContact CB-CG 3.86Å; V145-Q148 HydrophobicContact CG1-CG 4.07Å; V145-Q148 WeakPolarHBondContact O-CB 3.44Å; V145-Q148 PolarHBondContact O-N 2.9Å; E146-Q148 VanDerWaalsContact C-N 3.31Å; E146-Q148 PolarHBondContact O-N 3.08Å; Q148-Y198 CarbonylContact O-C 3.5Å; Q148-Y198 WeakPolarHBondContact O-CA 3.44Å; Q148-V199 PolarHBondContact O-N 3.29Å
149	P	92.5	Very high	90.8	Very high	43 Å²	43	61.2 Å²	61.2	28%	0.279	30%	0.295	S	S	.	.			trans	-69.4	155.8	168.1	30.9	-34.7	0	0	0	111.5	F196 L247	P149-F196 WeakPolarHBondContact CA-O 3.15Å; P149-F196 VanDerWaalsContact CB-O 3.26Å; P149-F196 WeakPolarHBondContact CB-O 3.46Å; P149-L247 HydrophobicContact CB-CD1 4.24Å; P149-L247 HydrophobicContact CB-CD2 4.12Å
150	L	93.8	Very high	90.7	Very high	27 Å²	27	62.3 Å²	62.3	14%	0.141	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.8	-179.1	179.2	64	0	0	0	110.8	V142 V144 L152 F196 V199 L231	V142-L150 HydrophobicContact CG1-CD1 3.91Å; V142-L150 HydrophobicContact CG1-CD2 4.14Å; V144-L150 HydrophobicContact CB-CD2 4.48Å; V144-L150 HydrophobicContact CG2-CB 4.48Å; V144-L150 HydrophobicContact CG2-CD2 4.33Å; L150-L152 HydrophobicContact CD2-CD2 4.03Å; L150-L152 HydrophobicContact CG-CD2 4.24Å; L150-F196 HydrophobicContact CB-CB 4.04Å; L150-F196 HydrophobicContact CB-CD2 4.12Å; L150-F196 HydrophobicContact CB-CG 4.25Å; L150-F196 HydrophobicContact CD2-CD2 4.37Å; L150-F196 HydrophobicContact CD2-CE2 4.47Å; L150-F196 HydrophobicContact CG-CD2 4.35Å; L150-F196 PolarHBondContact N-O 2.94Å; L150-F196 VanDerWaalsContact N-O 3.14Å; L150-F196 PolarHBondContact O-N 2.8Å; L150-V199 HydrophobicContact CB-CG2 3.75Å; L150-V199 HydrophobicContact CD2-CG2 4.04Å; L150-L231 HydrophobicContact CD2-CD1 4.04Å; L150-L231 HydrophobicContact CD2-CD2 3.61Å; L150-L231 HydrophobicContact CD2-CG 4.49Å
151	T	94.5	Very high	90.5	Very high	57 Å²	57	58.3 Å²	58.3	35%	0.35	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.5	171.8	-50.8	0	0	0	0	109.5	R153 N193 L194 Q195	T151-R153 HydrophobicContact CG2-CG 4.39Å; T151-N193 HydrophobicContact CG2-CB 3.93Å; T151-L194 CarbonylContact C-O 3.58Å; T151-L194 WeakPolarHBondContact CA-O 3.36Å; T151-Q195 VanDerWaalsContact CG2-NE2 3.35Å; T151-Q195 PolarHBondContact OG1-OE1 2.61Å
152	L	94.8	Very high	90.3	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.7	168.6	-54.4	-178.7	0	0	0	109.1	V142 L150 W167 N193 L194 F196 F229 L231	V142-L152 HydrophobicContact CB-CD2 4.39Å; V142-L152 HydrophobicContact CG1-CD2 4.14Å; V142-L152 HydrophobicContact CG2-CD2 3.93Å; L150-L152 HydrophobicContact CD2-CD2 4.03Å; L150-L152 HydrophobicContact CG-CD2 4.24Å; L152-W167 HydrophobicContact CB-CH2 3.55Å; L152-W167 HydrophobicContact CB-CZ2 4.21Å; L152-W167 HydrophobicContact CB-CZ3 4.14Å; L152-W167 HydrophobicContact CD1-CH2 4.43Å; L152-W167 HydrophobicContact CD1-CZ3 4.19Å; L152-W167 WeakPolarHBondContact O-CZ2 2.8Å; L152-N193 CarbonylContact O-C 3.57Å; L152-N193 WeakPolarHBondContact O-CA 3.43Å; L152-N193 WeakPolarHBondContact O-CB 3.33Å; L152-L194 HydrophobicContact CB-CB 4.18Å; L152-L194 HydrophobicContact CD1-CD2 4.3Å; L152-L194 PolarHBondContact N-O 3.46Å; L152-L194 PolarHBondContact O-N 3.19Å; L152-F196 HydrophobicContact CD1-CE2 4.03Å; L152-F196 HydrophobicContact CD1-CZ 4.49Å; L152-F196 HydrophobicContact CG-CE2 4.13Å; L152-F229 HydrophobicContact CD1-CB 3.93Å; L152-F229 HydrophobicContact CD1-CD2 4.43Å; L152-F229 HydrophobicContact CD1-CG 4.13Å; L152-F229 HydrophobicContact CD2-CD1 4.14Å; L152-F229 HydrophobicContact CD2-CG 4.38Å; L152-L231 HydrophobicContact CD1-CD2 4.27Å; L152-L231 HydrophobicContact CD2-CD2 4.12Å
153	R	93.7	Very high	90.1	Very high	188 Å²	188	59.1 Å²	59.1	71%	0.709	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-91.9	129	-176.6	-63.3	-175.7	-179	-177.9	-0.6	111.4	T151 N193 F229	T151-R153 HydrophobicContact CG2-CG 4.39Å; R153-N193 VanDerWaalsContact CA-OD1 3.3Å; R153-N193 WeakPolarHBondContact CA-OD1 3.11Å; R153-F229 VanDerWaalsContact O-CZ 3.28Å; R153-F229 WeakPolarHBondContact O-CZ 3.5Å
154	C	91.2	Very high	89.9	Confident	12 Å²	12	57.4 Å²	57.4	8%	0.081	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-95.1	127.6	176.9	-177.5	0	0	0	0	110.6	F134 K156 I165 W167 G192 C212	F134-C154 VanDerWaalsContact CE1-SG 3.56Å; C154-K156 VanDerWaalsContact C-N 3.3Å; C154-K156 PolarHBondContact O-N 2.96Å; C154-I165 HydrophobicContact CB-CG2 4.23Å; C154-W167 HydrophobicContact CB-CZ2 3.77Å; C154-G192 VanDerWaalsContact CB-O 3.32Å; C154-G192 WeakPolarHBondContact CB-O 3.31Å; C154-C212 HydrophobicContact CB-CB 3.58Å; C154-C212 WeakPolarHBondContact CB-SG 3.25Å; C154-C212 WeakPolarHBondContact SG-CB 3.44Å; C154-C212 CovalentContact SG-SG 2.04Å; C154-C212 PolarHBondContact SG-SG 3.1Å
155	N	91.1	Very high	90	Very high	95 Å²	95	58.1 Å²	58.1	51%	0.508	30%	0.298	S	S	.	.			trans	-83.5	75.8	177.2	-58.4	-69.3	0	0	0	110	F134 R140 D227	F134-N155 WeakPolarHBondContact CD1-O 3.43Å; F134-N155 WeakPolarHBondContact CE1-O 3.4Å; R140-N155 PolarHBondContact NH2-ND2 2.77Å; N155-D227 VanDerWaalsContact CB-OD2 3.3Å; N155-D227 WeakPolarHBondContact CB-OD2 3.46Å; N155-D227 PolarHBondContact N-OD2 3.44Å; N155-D227 VanDerWaalsContact ND2-CG 3.28Å; N155-D227 PolarHBondContact ND2-OD1 3.36Å; N155-D227 VanDerWaalsContact ND2-OD1 3.11Å; N155-D227 PolarHBondContact ND2-OD2 3.35Å
156	K	88.6	Confident	90.1	Very high	110 Å²	110	58.4 Å²	58.4	48%	0.478	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-54.1	133.1	-173.1	60.9	-172.3	172.3	-160.1	0	113.4	C154 I165 D191	C154-K156 VanDerWaalsContact C-N 3.3Å; C154-K156 PolarHBondContact O-N 2.96Å; K156-I165 HydrophobicContact CB-CD1 3.66Å; K156-I165 HydrophobicContact CB-CG1 3.96Å; K156-D191 PolarHBondContact NZ-O 3.44Å; K156-D191 VanDerWaalsContact NZ-O 3.13Å
157	P	90.8	Very high	90.3	Very high	14 Å²	14	58.1 Å²	58.1	9%	0.091	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-72.1	161.2	177.5	32	-36.9	0	0	0	111	L131 N132 F134 A214	L131-P157 HydrophobicContact CD1-CG 3.96Å; N132-P157 HydrophobicContact CB-CB 4.27Å; N132-P157 VanDerWaalsContact O-CB 3.29Å; N132-P157 WeakPolarHBondContact O-CB 3.46Å; F134-P157 HydrophobicContact CD2-CG 4.01Å; F134-P157 HydrophobicContact CE2-CG 3.85Å; F134-P157 HydrophobicContact CG-CG 4.45Å; F134-P157 HydrophobicContact CZ-CG 4.17Å; P157-A214 HydrophobicContact CG-CB 3.75Å
158	Y	91	Very high	90.6	Very high	135 Å²	135	59.3 Å²	59.3	53%	0.529	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-66.4	136.1	167.3	176.9	-93.1	0	0	0	110.8	V130 N132 M160	V130-Y158 HydrophobicContact CG1-CD1 4.5Å; V130-Y158 HydrophobicContact CG1-CE1 4.39Å; N132-Y158 WeakPolarHBondContact CB-O 3.3Å; N132-Y158 PolarHBondContact N-O 2.8Å; Y158-M160 WeakPolarHBondContact OH-CE 3.46Å
159	G	87.9	Confident	90.7	Very high	10 Å²	10	56.5 Å²	56.5	10%	0.103	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.9	170.8	0	0	0	0	0	111.3	V130 P161	V130-G159 CarbonylContact O-C 3.59Å; V130-G159 WeakPolarHBondContact O-CA 3.32Å; G159-P161 CarbonylContact C-O 3.59Å; G159-P161 VanDerWaalsContact C-O 3.26Å; G159-P161 CarbonylContact O-C 3.49Å
160	M	87.7	Confident	90.5	Very high	85 Å²	85	56.3 Å²	56.3	42%	0.419	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120	176.6	-176.9	169	-79	0	0	108.6	W43 G129 V130 Y158	W43-M160 HydrophobicContact CH2-CG 4.37Å; W43-M160 HydrophobicContact CZ3-CG 4.16Å; G129-M160 CarbonylContact C-O 3.51Å; G129-M160 WeakPolarHBondContact CA-O 2.98Å; V130-M160 PolarHBondContact N-O 2.97Å; V130-M160 PolarHBondContact O-N 2.83Å; Y158-M160 WeakPolarHBondContact OH-CE 3.46Å
161	P	87.2	Confident	90.2	Very high	25 Å²	25	56.1 Å²	56.1	16%	0.162	28%	0.278	C	S	.	.	S	Bend	cis	-59.1	166.2	-10.6	31.3	-36.6	0	0	0	112	W43 G159 P217 V218	W43-P161 HydrophobicContact CH2-CB 4.18Å; W43-P161 HydrophobicContact CH2-CG 4.34Å; W43-P161 HydrophobicContact CZ2-CB 4.48Å; G159-P161 CarbonylContact C-O 3.59Å; G159-P161 VanDerWaalsContact C-O 3.26Å; G159-P161 CarbonylContact O-C 3.49Å; P161-P217 HydrophobicContact CG-CG 3.66Å; P161-V218 HydrophobicContact CG-CG1 4.08Å
162	P	87	Confident	89.6	Confident	108 Å²	108	56.5 Å²	56.5	70%	0.701	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-53.3	134.9	-175.1	-28	36.1	0	0	0	112.7
163	P	88.6	Confident	89	Confident	24 Å²	24	63.8 Å²	63.8	16%	0.156	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-76.7	146	-173.1	28.7	-33.4	0	0	0	113.1	L131 A214 T215	L131-P163 HydrophobicContact CD1-CB 3.78Å; L131-P163 HydrophobicContact CD1-CG 4.16Å; P163-A214 HydrophobicContact CB-CB 4.21Å; P163-T215 CarbonylContact C-O 3.6Å; P163-T215 WeakPolarHBondContact CA-O 3.39Å; P163-T215 WeakPolarHBondContact CB-O 3.37Å
164	T	88.6	Confident	88.2	Confident	84 Å²	84	63 Å²	63	52%	0.515	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.1	171.1	-55.7	0	0	0	0	109	A214 T215	T164-A214 WeakPolarHBondContact O-CA 3.13Å; T164-T215 PolarHBondContact N-O 2.96Å; T164-T215 PolarHBondContact O-N 3.24Å
165	I	90.9	Very high	87.4	Confident	26 Å²	26	65.2 Å²	65.2	13%	0.133	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.2	176.4	-54.2	-56.4	0	0	0	109.8	C154 K156 G192 A213 A214	C154-I165 HydrophobicContact CB-CG2 4.23Å; K156-I165 HydrophobicContact CB-CD1 3.66Å; K156-I165 HydrophobicContact CB-CG1 3.96Å; I165-G192 WeakPolarHBondContact CG2-O 3.34Å; I165-A213 WeakPolarHBondContact CA-O 3.34Å; I165-A214 HydrophobicContact CD1-CB 3.62Å
166	F	90.5	Very high	86.5	Confident	60 Å²	60	69.5 Å²	69.5	26%	0.263	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	166.1	176.5	69.2	-70.8	0	0	0	110.3	L168 C212 A213 T215 Y223	F166-L168 HydrophobicContact CD2-CD2 4.14Å; F166-L168 HydrophobicContact CD2-CG 4.14Å; F166-L168 HydrophobicContact CE2-CD1 3.86Å; F166-L168 HydrophobicContact CE2-CD2 4.04Å; F166-L168 HydrophobicContact CE2-CG 3.93Å; F166-C212 WeakPolarHBondContact O-CA 3.31Å; F166-A213 HydrophobicContact CD1-CB 3.91Å; F166-A213 VanDerWaalsContact CD1-O 3.27Å; F166-A213 WeakPolarHBondContact CD1-O 3.11Å; F166-A213 HydrophobicContact CD2-CB 4.46Å; F166-A213 HydrophobicContact CE1-CB 3.36Å; F166-A213 HydrophobicContact CE2-CB 4.01Å; F166-A213 HydrophobicContact CG-CB 4.43Å; F166-A213 HydrophobicContact CZ-CB 3.43Å; F166-A213 VanDerWaalsContact CZ-CB 3.43Å; F166-A213 PolarHBondContact N-O 3.48Å; F166-A213 PolarHBondContact O-N 2.71Å; F166-T215 HydrophobicContact CD1-CG2 4.35Å; F166-T215 HydrophobicContact CE1-CG2 3.73Å; F166-T215 HydrophobicContact CZ-CG2 4.37Å; F166-Y223 HydrophobicContact CZ-CD2 4.03Å; F166-Y223 AromaticContact CZ-CG 3.95Å; F166-Y223 HydrophobicContact CZ-CG 3.95Å
167	W	91.9	Very high	85.8	Confident	17 Å²	17	67.3 Å²	67.3	6%	0.064	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.3	-177.1	-75.3	79.9	0	0	0	111.3	L152 C154 I181 G192 L194 Q211 C212 F229	L152-W167 HydrophobicContact CB-CH2 3.55Å; L152-W167 HydrophobicContact CB-CZ2 4.21Å; L152-W167 HydrophobicContact CB-CZ3 4.14Å; L152-W167 HydrophobicContact CD1-CH2 4.43Å; L152-W167 HydrophobicContact CD1-CZ3 4.19Å; L152-W167 WeakPolarHBondContact O-CZ2 2.8Å; C154-W167 HydrophobicContact CB-CZ2 3.77Å; W167-I181 HydrophobicContact CB-CD1 3.65Å; W167-G192 PolarHBondContact NE1-O 2.89Å; W167-L194 HydrophobicContact CB-CD1 3.98Å; W167-L194 HydrophobicContact CD2-CB 3.7Å; W167-L194 HydrophobicContact CD2-CD1 4.31Å; W167-L194 HydrophobicContact CD2-CD2 4.16Å; W167-L194 HydrophobicContact CD2-CG 4.28Å; W167-L194 HydrophobicContact CE3-CB 4.02Å; W167-L194 HydrophobicContact CE3-CD2 3.9Å; W167-L194 HydrophobicContact CE3-CG 4.48Å; W167-L194 HydrophobicContact CG-CB 4.14Å; W167-L194 HydrophobicContact CG-CD1 3.93Å; W167-L194 HydrophobicContact CG-CD2 4.49Å; W167-L194 HydrophobicContact CG-CG 4.42Å; W167-L194 HydrophobicContact CH2-CB 4.16Å; W167-L194 HydrophobicContact CZ2-CB 3.84Å; W167-L194 HydrophobicContact CZ3-CB 4.24Å; W167-L194 HydrophobicContact CZ3-CD2 4.38Å; W167-Q211 WeakPolarHBondContact CA-O 3.3Å; W167-C212 HydrophobicContact CD2-CB 3.61Å; W167-C212 VanDerWaalsContact CE2-CB 3.44Å; W167-C212 HydrophobicContact CE3-CB 3.89Å; W167-C212 HydrophobicContact CG-CB 4.24Å; W167-C212 HydrophobicContact CH2-CB 3.94Å; W167-C212 HydrophobicContact CZ2-CB 3.65Å; W167-C212 HydrophobicContact CZ3-CB 4.04Å; W167-F229 AromaticContact CH2-CD2 3.79Å; W167-F229 HydrophobicContact CH2-CD2 3.79Å; W167-F229 AromaticContact CH2-CE2 3.57Å; W167-F229 HydrophobicContact CH2-CE2 3.57Å; W167-F229 HydrophobicContact CH2-CZ 4.48Å; W167-F229 AromaticContact CZ3-CD2 3.74Å; W167-F229 HydrophobicContact CZ3-CD2 3.74Å; W167-F229 AromaticContact CZ3-CE2 3.98Å; W167-F229 HydrophobicContact CZ3-CE2 3.98Å
168	L	91.1	Very high	85.3	Confident	24 Å²	24	68.9 Å²	68.9	13%	0.126	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	166.7	178.2	-59.1	172.7	0	0	0	109.4	F166 M178 D179 Y210 Q211	F166-L168 HydrophobicContact CD2-CD2 4.14Å; F166-L168 HydrophobicContact CD2-CG 4.14Å; F166-L168 HydrophobicContact CE2-CD1 3.86Å; F166-L168 HydrophobicContact CE2-CD2 4.04Å; F166-L168 HydrophobicContact CE2-CG 3.93Å; L168-M178 HydrophobicContact CB-CB 3.93Å; L168-M178 HydrophobicContact CB-CG 4.12Å; L168-M178 HydrophobicContact CB-SD 3.73Å; L168-M178 HydrophobicContact CD1-CB 3.77Å; L168-M178 HydrophobicContact CD1-CG 4.16Å; L168-M178 HydrophobicContact CG-CB 4.34Å; L168-D179 CarbonylContact C-O 3.55Å; L168-D179 VanDerWaalsContact CA-O 3.31Å; L168-D179 WeakPolarHBondContact CA-O 3.29Å; L168-Y210 WeakPolarHBondContact O-CA 3.13Å; L168-Q211 PolarHBondContact N-O 2.84Å; L168-Q211 PolarHBondContact O-N 3.01Å
169	Y	90.2	Very high	84.6	Confident	39 Å²	39	66 Å²	66	15%	0.153	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	150.6	170.3	81.7	-69.8	0	0	0	111.4	D179 S180 I181 L208 V209 Y210	Y169-D179 HydrophobicContact CD1-CB 4.17Å; Y169-D179 WeakPolarHBondContact CD1-O 3.32Å; Y169-D179 HydrophobicContact CE1-CB 3.59Å; Y169-D179 WeakPolarHBondContact CE1-OD2 3.49Å; Y169-D179 PolarHBondContact N-O 2.87Å; Y169-D179 PolarHBondContact O-N 3.46Å; Y169-D179 PolarHBondContact OH-OD2 3.35Å; Y169-S180 WeakPolarHBondContact CE1-O 3.27Å; Y169-I181 HydrophobicContact CD1-CG1 3.91Å; Y169-I181 HydrophobicContact CG-CG1 4.49Å; Y169-L208 HydrophobicContact CD2-CD1 3.68Å; Y169-L208 HydrophobicContact CD2-CG 4.25Å; Y169-L208 HydrophobicContact CE2-CD1 3.97Å; Y169-V209 CarbonylContact C-O 3.58Å; Y169-V209 WeakPolarHBondContact CA-O 3.3Å; Y169-Y210 HydrophobicContact CG-CE1 4.48Å
170	R	89.5	Confident	84.3	Confident	39 Å²	39	68.9 Å²	68.9	15%	0.147	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.8	172.8	64.1	-178.2	-176.6	-116.4	-13.6	111.2	M172 A177 M178 L208 V209 E228	R170-M172 HydrophobicContact CG-SD 4.19Å; R170-M172 PolarHBondContact NE-SD 2.81Å; R170-A177 VanDerWaalsContact CB-O 3.29Å; R170-A177 WeakPolarHBondContact CB-O 3.37Å; R170-M178 HydrophobicContact CB-CE 4.31Å; R170-M178 HydrophobicContact CB-SD 3.79Å; R170-M178 HydrophobicContact CG-CE 3.75Å; R170-M178 HydrophobicContact CG-SD 3.92Å; R170-L208 WeakPolarHBondContact O-CA 3.26Å; R170-V209 HydrophobicContact CG-CB 4.26Å; R170-V209 PolarHBondContact N-O 3.48Å; R170-V209 PolarHBondContact O-N 2.78Å; R170-E228 IonicContact CZ-OE1 3.3Å; R170-E228 VanDerWaalsContact CZ-OE1 3.24Å; R170-E228 IonicContact NH1-OE1 3.75Å; R170-E228 PolarHBondContact NH1-OE1 3.32Å; R170-E228 IonicContact NH2-OE1 2.71Å; R170-E228 PolarHBondContact NH2-OE1 2.92Å; R170-E228 IonicContact NH2-OE2 3.06Å; R170-E228 PolarHBondContact NH2-OE2 2.86Å
171	D	86.8	Confident	84.1	Confident	22 Å²	22	66.6 Å²	66.6	12%	0.118	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	96.8	167.6	-174.9	-18	0	0	0	107.4	K173 K174 S175 N207 L208	D171-K173 PolarHBondContact O-N 2.69Å; D171-K173 PolarHBondContact OD1-N 2.69Å; D171-K174 HydrophobicContact CB-CB 4.3Å; D171-K174 HydrophobicContact CB-CD 4.21Å; D171-K174 HydrophobicContact CB-CG 4.35Å; D171-K174 PolarHBondContact O-N 2.73Å; D171-K174 WeakPolarHBondContact OD2-CD 3.23Å; D171-K174 WeakPolarHBondContact OD2-CE 3.45Å; D171-K174 IonicContact OD2-NZ 2.72Å; D171-K174 PolarHBondContact OD2-NZ 3.03Å; D171-S175 PolarHBondContact O-N 2.92Å; D171-S175 VanDerWaalsContact O-O 3.06Å; D171-N207 WeakPolarHBondContact OD1-CB 3.19Å; D171-L208 HydrophobicContact CB-CD1 4.03Å
172	M	81.9	Confident	83.5	Confident	66 Å²	66	68.9 Å²	68.9	33%	0.325	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-19.8	-173.8	-67.6	-74.7	-64.8	0	0	114	R170 Y176 N207 V209	R170-M172 HydrophobicContact CG-SD 4.19Å; R170-M172 PolarHBondContact NE-SD 2.81Å; M172-Y176 HydrophobicContact CE-CD1 4.33Å; M172-Y176 HydrophobicContact CE-CE1 3.85Å; M172-Y176 HydrophobicContact SD-CD1 4.47Å; M172-N207 HydrophobicContact CB-CB 4.37Å; M172-N207 WeakPolarHBondContact CB-O 3.29Å; M172-N207 VanDerWaalsContact CG-O 3.27Å; M172-N207 WeakPolarHBondContact CG-O 3.47Å; M172-N207 PolarHBondContact N-O 3.43Å; M172-V209 HydrophobicContact CG-CG2 3.99Å
173	K	82.5	Confident	83.5	Confident	157 Å²	157	66.9 Å²	66.9	68%	0.683	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-18.2	179.2	-171.5	168.7	-177.2	170.5	0	113.7	D171 N207	D171-K173 PolarHBondContact O-N 2.69Å; D171-K173 PolarHBondContact OD1-N 2.69Å; K173-N207 HydrophobicContact CB-CB 3.99Å
174	K	76.8	Confident	83.4	Confident	171 Å²	171	70.8 Å²	70.8	74%	0.743	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-42.5	178.8	-64.5	179.5	-175	132.6	0	112.5	D171	D171-K174 HydrophobicContact CB-CB 4.3Å; D171-K174 HydrophobicContact CB-CD 4.21Å; D171-K174 HydrophobicContact CB-CG 4.35Å; D171-K174 PolarHBondContact O-N 2.73Å; D171-K174 WeakPolarHBondContact OD2-CD 3.23Å; D171-K174 WeakPolarHBondContact OD2-CE 3.45Å; D171-K174 IonicContact OD2-NZ 2.72Å; D171-K174 PolarHBondContact OD2-NZ 3.03Å
175	S	74.2	Confident	83.5	Confident	59 Å²	59	67.8 Å²	67.8	41%	0.413	33%	0.333	S	S	.	.			trans	-161.2	148.7	-178.5	-169.4	0	0	0	0	111.8	D171 A177	D171-S175 PolarHBondContact O-N 2.92Å; D171-S175 VanDerWaalsContact O-O 3.06Å; S175-A177 VanDerWaalsContact C-N 3.29Å; S175-A177 VanDerWaalsContact OG-CB 3.31Å; S175-A177 WeakPolarHBondContact OG-CB 3.38Å; S175-A177 PolarHBondContact OG-N 2.81Å
176	Y	72	Confident	83.6	Confident	184 Å²	184	66.7 Å²	66.7	72%	0.722	33%	0.328	S	S	*	.	S	Bend	trans	-80.1	-13.1	166.1	-68.1	-82.1	0	0	0	112.6	M172	M172-Y176 HydrophobicContact CE-CD1 4.33Å; M172-Y176 HydrophobicContact CE-CE1 3.85Å; M172-Y176 HydrophobicContact SD-CD1 4.47Å
177	A	75.4	Confident	83.6	Confident	65 Å²	65	64.2 Å²	64.2	54%	0.537	32%	0.318	S	S	.	.	S	Bend	trans	-65.8	144.3	174.2	0	0	0	0	0	111.2	R170 S175	R170-A177 VanDerWaalsContact CB-O 3.29Å; R170-A177 WeakPolarHBondContact CB-O 3.37Å; S175-A177 VanDerWaalsContact C-N 3.29Å; S175-A177 VanDerWaalsContact OG-CB 3.31Å; S175-A177 WeakPolarHBondContact OG-CB 3.38Å; S175-A177 PolarHBondContact OG-N 2.81Å
178	M	78.9	Confident	83.5	Confident	46 Å²	46	65 Å²	65	23%	0.227	33%	0.327	C	S	.	.			trans	-90.5	135	176.1	-83	-68.8	-175.3	0	0	110.8	L168 R170 Q211	L168-M178 HydrophobicContact CB-CB 3.93Å; L168-M178 HydrophobicContact CB-CG 4.12Å; L168-M178 HydrophobicContact CB-SD 3.73Å; L168-M178 HydrophobicContact CD1-CB 3.77Å; L168-M178 HydrophobicContact CD1-CG 4.16Å; L168-M178 HydrophobicContact CG-CB 4.34Å; R170-M178 HydrophobicContact CB-CE 4.31Å; R170-M178 HydrophobicContact CB-SD 3.79Å; R170-M178 HydrophobicContact CG-CE 3.75Å; R170-M178 HydrophobicContact CG-SD 3.92Å; M178-Q211 HydrophobicContact CE-CB 3.43Å; M178-Q211 VanDerWaalsContact CE-CB 3.43Å; M178-Q211 HydrophobicContact CE-CG 4.31Å; M178-Q211 HydrophobicContact SD-CB 4.41Å
179	D	77.8	Confident	83.5	Confident	75 Å²	75	64.3 Å²	64.3	40%	0.401	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	161.8	178.5	-178.4	28	0	0	0	111.3	L168 Y169	L168-D179 CarbonylContact C-O 3.55Å; L168-D179 VanDerWaalsContact CA-O 3.31Å; L168-D179 WeakPolarHBondContact CA-O 3.29Å; Y169-D179 HydrophobicContact CD1-CB 4.17Å; Y169-D179 WeakPolarHBondContact CD1-O 3.32Å; Y169-D179 HydrophobicContact CE1-CB 3.59Å; Y169-D179 WeakPolarHBondContact CE1-OD2 3.49Å; Y169-D179 PolarHBondContact N-O 2.87Å; Y169-D179 PolarHBondContact O-N 3.46Å; Y169-D179 PolarHBondContact OH-OD2 3.35Å
180	S	81.7	Confident	83.2	Confident	71 Å²	71	65.3 Å²	65.3	50%	0.497	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137.3	-176.8	67.6	0	0	0	0	112.9	Y169 S182	Y169-S180 WeakPolarHBondContact CE1-O 3.27Å; S180-S182 PolarHBondContact O-N 2.84Å; S180-S182 PolarHBondContact O-OG 2.88Å
181	I	83	Confident	83.1	Confident	36 Å²	36	67.5 Å²	67.5	19%	0.185	36%	0.361	C	S	.	.			trans	-77.8	96.5	-173.8	-56.2	178.9	0	0	0	111.1	W167 Y169 I186 L194 Y210	W167-I181 HydrophobicContact CB-CD1 3.65Å; Y169-I181 HydrophobicContact CD1-CG1 3.91Å; Y169-I181 HydrophobicContact CG-CG1 4.49Å; I181-I186 HydrophobicContact CG2-CB 3.85Å; I181-I186 HydrophobicContact CG2-CD1 4.07Å; I181-I186 HydrophobicContact CG2-CG2 3.81Å; I181-L194 HydrophobicContact CD1-CD1 3.88Å; I181-L194 HydrophobicContact CD1-CD2 3.63Å; I181-L194 HydrophobicContact CD1-CG 4.44Å; I181-Y210 HydrophobicContact CD1-CD1 3.73Å; I181-Y210 HydrophobicContact CD1-CE1 4.06Å
182	S	75	Confident	83.2	Confident	74 Å²	74	66.6 Å²	66.6	52%	0.517	36%	0.357	S	S	.	.			trans	-106.6	46.3	-172	50.5	0	0	0	0	113.8	S180 Y295	S180-S182 PolarHBondContact O-N 2.84Å; S180-S182 PolarHBondContact O-OG 2.88Å; S182-Y295 PolarHBondContact O-OH 2.62Å
183	R	85.7	Confident	83.7	Confident	65 Å²	65	64.6 Å²	64.6	25%	0.245	35%	0.348	C	S	.	.			trans	-121.8	128.5	-176.9	-57.3	-171.7	-172.2	-173.7	-0.6	112.4	H185 I186 L202 D203 Y295	R183-H185 PolarHBondContact O-N 3.38Å; R183-H185 VanDerWaalsContact O-N 3.08Å; R183-I186 HydrophobicContact CB-CB 4.46Å; R183-I186 HydrophobicContact CB-CD1 4.05Å; R183-I186 HydrophobicContact CB-CG1 4.01Å; R183-I186 HydrophobicContact CG-CD1 4.34Å; R183-I186 PolarHBondContact O-N 3.28Å; R183-L202 VanDerWaalsContact NH1-C 3.26Å; R183-L202 PolarHBondContact NH1-O 2.7Å; R183-D203 IonicContact CZ-OD1 2.69Å; R183-D203 IonicContact NH1-OD1 3.95Å; R183-D203 PolarHBondContact NH1-OD1 2.71Å; R183-Y295 PolarHBondContact N-OH 3.49Å
184	R	87.1	Confident	84.3	Confident	106 Å²	106	57.2 Å²	57.2	40%	0.4	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.3	-175.6	173.3	174.9	161	171.2	-5.8	114.1	A273 Y295 K297	R184-A273 PolarHBondContact NE-O 3.08Å; R184-A273 PolarHBondContact NH2-O 3.28Å; R184-Y295 HydrophobicContact CB-CD1 4.05Å; R184-Y295 HydrophobicContact CB-CD2 4.44Å; R184-Y295 HydrophobicContact CB-CE1 4.26Å; R184-Y295 HydrophobicContact CB-CG 4.15Å; R184-Y295 HydrophobicContact CG-CD1 4.39Å; R184-Y295 HydrophobicContact CG-CG 4.27Å; R184-K297 PolarHBondContact O-NZ 2.82Å
185	H	91.5	Very high	85.1	Confident	21 Å²	21	49.5 Å²	49.5	10%	0.097	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-7.1	-178.4	62	-79.1	0	0	0	114.7	R183 F196 A197 Y198 D203 A273	R183-H185 PolarHBondContact O-N 3.38Å; R183-H185 VanDerWaalsContact O-N 3.08Å; H185-F196 CarbonylContact O-C 3.47Å; H185-F196 WeakPolarHBondContact O-CA 3.35Å; H185-A197 HydrophobicContact CB-CB 4.34Å; H185-A197 PolarHBondContact O-N 3.03Å; H185-Y198 HydrophobicContact CB-CD1 3.88Å; H185-Y198 HydrophobicContact CB-CE1 3.47Å; H185-Y198 VanDerWaalsContact CB-CE1 3.47Å; H185-Y198 PolarHBondContact CD2-O 2.99Å; H185-Y198 VanDerWaalsContact CD2-O 3.27Å; H185-Y198 AromaticContact CG-CE1 3.98Å; H185-D203 IonicContact CD2-OD2 2.78Å; H185-D203 PolarHBondContact CD2-OD2 3.48Å; H185-D203 IonicContact CE1-OD1 2.74Å; H185-D203 IonicContact CE1-OD2 3.17Å; H185-D203 VanDerWaalsContact NE2-CG 3.27Å; H185-D203 IonicContact NE2-OD1 3.52Å; H185-D203 PolarHBondContact NE2-OD1 2.98Å; H185-D203 IonicContact NE2-OD2 2.84Å; H185-D203 PolarHBondContact NE2-OD2 2.93Å; H185-A273 HydrophobicContact CB-CB 3.99Å
186	I	92.5	Very high	86.1	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.7	177.2	-42.3	178.7	0	0	0	109.2	I181 R183 L194 Q195 F196 Y210	I181-I186 HydrophobicContact CG2-CB 3.85Å; I181-I186 HydrophobicContact CG2-CD1 4.07Å; I181-I186 HydrophobicContact CG2-CG2 3.81Å; R183-I186 HydrophobicContact CB-CB 4.46Å; R183-I186 HydrophobicContact CB-CD1 4.05Å; R183-I186 HydrophobicContact CB-CG1 4.01Å; R183-I186 HydrophobicContact CG-CD1 4.34Å; R183-I186 PolarHBondContact O-N 3.28Å; I186-L194 HydrophobicContact CG2-CD1 3.59Å; I186-L194 HydrophobicContact CG2-CD2 3.9Å; I186-L194 HydrophobicContact CG2-CG 3.61Å; I186-Q195 CarbonylContact C-O 3.59Å; I186-Q195 WeakPolarHBondContact CA-O 3.32Å; I186-F196 HydrophobicContact CD1-CD1 3.93Å; I186-F196 HydrophobicContact CD1-CE1 3.46Å; I186-F196 VanDerWaalsContact CD1-CE1 3.46Å; I186-F196 HydrophobicContact CD1-CZ 4.14Å; I186-F196 HydrophobicContact CG1-CD1 3.73Å; I186-F196 HydrophobicContact CG1-CE1 3.79Å; I186-F196 HydrophobicContact CG1-CG 4.43Å; I186-F196 HydrophobicContact CG2-CD1 4.26Å; I186-F196 HydrophobicContact CG2-CD2 4.32Å; I186-F196 HydrophobicContact CG2-CE1 4.11Å; I186-F196 HydrophobicContact CG2-CE2 4.16Å; I186-F196 HydrophobicContact CG2-CG 4.35Å; I186-F196 HydrophobicContact CG2-CZ 4.04Å; I186-Y210 HydrophobicContact CD1-CE1 4.49Å
187	T	90.6	Very high	87.1	Confident	8 Å²	8	38 Å²	38	5%	0.049	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	138.7	-178.4	-64.7	0	0	0	0	110.7	Q195 I267 N294 K297	T187-Q195 PolarHBondContact N-O 3.5Å; T187-Q195 WeakPolarHBondContact O-CA 3.19Å; T187-Q195 WeakPolarHBondContact O-CB 3.17Å; T187-Q195 PolarHBondContact O-N 2.78Å; T187-I267 HydrophobicContact CG2-CD1 3.81Å; T187-I267 HydrophobicContact CG2-CG1 4.36Å; T187-N294 HydrophobicContact CG2-CB 3.75Å; T187-K297 HydrophobicContact CG2-CD 4.29Å; T187-K297 PolarHBondContact OG1-NZ 2.63Å
188	A	90.2	Very high	87.9	Confident	33 Å²	33	36.7 Å²	36.7	27%	0.273	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.6	169.7	0	0	0	0	0	110.6	N193	A188-N193 CarbonylContact C-O 3.56Å; A188-N193 WeakPolarHBondContact CA-O 3.25Å
189	D	90.1	Very high	88.5	Confident	10 Å²	10	34.5 Å²	34.5	5%	0.053	20%	0.199	C	C	.	.			trans	-88.2	167.4	173.1	72.3	26.7	0	0	0	113	D191 G192 N193 Q195 W248 I267	D189-D191 PolarHBondContact O-N 2.9Å; D189-D191 WeakPolarHBondContact OD1-CB 3.27Å; D189-D191 PolarHBondContact OD1-N 2.81Å; D189-D191 VanDerWaalsContact OD1-N 3.08Å; D189-G192 PolarHBondContact O-N 2.75Å; D189-G192 PolarHBondContact OD1-N 2.91Å; D189-N193 PolarHBondContact N-O 3.2Å; D189-N193 PolarHBondContact OD1-N 3.13Å; D189-N193 PolarHBondContact OD1-ND2 2.89Å; D189-N193 WeakPolarHBondContact OD2-CB 3.36Å; D189-N193 PolarHBondContact OD2-ND2 3.19Å; D189-Q195 HydrophobicContact CB-CG 3.99Å; D189-Q195 PolarHBondContact OD2-NE2 2.95Å; D189-W248 HydrophobicContact CB-CB 3.95Å; D189-W248 HydrophobicContact CB-CD2 3.63Å; D189-W248 HydrophobicContact CB-CE3 4.05Å; D189-W248 HydrophobicContact CB-CG 3.57Å; D189-I267 HydrophobicContact CB-CD1 3.8Å
190	G	84.3	Confident	89	Confident	60 Å²	60	32.6 Å²	32.6	62%	0.619	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-7.7	-176.8	0	0	0	0	0	115
191	D	87	Confident	89.2	Confident	84 Å²	84	32 Å²	32	45%	0.449	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-16.1	169.5	-82.2	-58.2	0	0	0	112.7	K156 D189 N193 W248	K156-D191 PolarHBondContact NZ-O 3.44Å; K156-D191 VanDerWaalsContact NZ-O 3.13Å; D189-D191 PolarHBondContact O-N 2.9Å; D189-D191 WeakPolarHBondContact OD1-CB 3.27Å; D189-D191 PolarHBondContact OD1-N 2.81Å; D189-D191 VanDerWaalsContact OD1-N 3.08Å; D191-N193 VanDerWaalsContact CB-ND2 3.31Å; D191-N193 WeakPolarHBondContact CB-ND2 3.42Å; D191-W248 PolarHBondContact OD2-NE1 2.8Å
192	G	89	Confident	89.5	Confident	4 Å²	4	36.8 Å²	36.8	4%	0.041	21%	0.209	C	C	.	.	S	Bend	trans	105.7	13.1	179.4	0	0	0	0	0	115	C154 I165 W167 D189	C154-G192 VanDerWaalsContact CB-O 3.32Å; C154-G192 WeakPolarHBondContact CB-O 3.31Å; I165-G192 WeakPolarHBondContact CG2-O 3.34Å; W167-G192 PolarHBondContact NE1-O 2.89Å; D189-G192 PolarHBondContact O-N 2.75Å; D189-G192 PolarHBondContact OD1-N 2.91Å
193	N	93.5	Very high	90.2	Very high	24 Å²	24	33.3 Å²	33.3	13%	0.128	18%	0.184	C	C	.	.			trans	-95.4	147.1	-177.2	-42.6	-85.1	0	0	0	111.6	T151 L152 R153 A188 D189 D191	T151-N193 HydrophobicContact CG2-CB 3.93Å; L152-N193 CarbonylContact O-C 3.57Å; L152-N193 WeakPolarHBondContact O-CA 3.43Å; L152-N193 WeakPolarHBondContact O-CB 3.33Å; R153-N193 VanDerWaalsContact CA-OD1 3.3Å; R153-N193 WeakPolarHBondContact CA-OD1 3.11Å; A188-N193 CarbonylContact C-O 3.56Å; A188-N193 WeakPolarHBondContact CA-O 3.25Å; D189-N193 PolarHBondContact N-O 3.2Å; D189-N193 PolarHBondContact OD1-N 3.13Å; D189-N193 PolarHBondContact OD1-ND2 2.89Å; D189-N193 WeakPolarHBondContact OD2-CB 3.36Å; D189-N193 PolarHBondContact OD2-ND2 3.19Å; D191-N193 VanDerWaalsContact CB-ND2 3.31Å; D191-N193 WeakPolarHBondContact CB-ND2 3.42Å
194	L	94.3	Very high	90.2	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116	176	-163.1	64.6	0	0	0	110.6	T151 L152 W167 I181 I186 F196 Y210	T151-L194 CarbonylContact C-O 3.58Å; T151-L194 WeakPolarHBondContact CA-O 3.36Å; L152-L194 HydrophobicContact CB-CB 4.18Å; L152-L194 HydrophobicContact CD1-CD2 4.3Å; L152-L194 PolarHBondContact N-O 3.46Å; L152-L194 PolarHBondContact O-N 3.19Å; W167-L194 HydrophobicContact CB-CD1 3.98Å; W167-L194 HydrophobicContact CD2-CB 3.7Å; W167-L194 HydrophobicContact CD2-CD1 4.31Å; W167-L194 HydrophobicContact CD2-CD2 4.16Å; W167-L194 HydrophobicContact CD2-CG 4.28Å; W167-L194 HydrophobicContact CE3-CB 4.02Å; W167-L194 HydrophobicContact CE3-CD2 3.9Å; W167-L194 HydrophobicContact CE3-CG 4.48Å; W167-L194 HydrophobicContact CG-CB 4.14Å; W167-L194 HydrophobicContact CG-CD1 3.93Å; W167-L194 HydrophobicContact CG-CD2 4.49Å; W167-L194 HydrophobicContact CG-CG 4.42Å; W167-L194 HydrophobicContact CH2-CB 4.16Å; W167-L194 HydrophobicContact CZ2-CB 3.84Å; W167-L194 HydrophobicContact CZ3-CB 4.24Å; W167-L194 HydrophobicContact CZ3-CD2 4.38Å; I181-L194 HydrophobicContact CD1-CD1 3.88Å; I181-L194 HydrophobicContact CD1-CD2 3.63Å; I181-L194 HydrophobicContact CD1-CG 4.44Å; I186-L194 HydrophobicContact CG2-CD1 3.59Å; I186-L194 HydrophobicContact CG2-CD2 3.9Å; I186-L194 HydrophobicContact CG2-CG 3.61Å; L194-F196 HydrophobicContact CB-CE2 4.47Å; L194-F196 HydrophobicContact CD2-CE2 3.71Å; L194-F196 HydrophobicContact CD2-CZ 3.93Å; L194-F196 HydrophobicContact CG-CE2 3.9Å; L194-Y210 HydrophobicContact CD2-CD1 3.82Å; L194-Y210 HydrophobicContact CD2-CE1 4.3Å; L194-Y210 HydrophobicContact CD2-CG 4.4Å
195	Q	94.3	Very high	89.9	Confident	9 Å²	9	28.7 Å²	28.7	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.4	-179.8	-59.7	-70.2	-3.7	0	0	110.8	T151 I186 T187 D189 I267	T151-Q195 VanDerWaalsContact CG2-NE2 3.35Å; T151-Q195 PolarHBondContact OG1-OE1 2.61Å; I186-Q195 CarbonylContact C-O 3.59Å; I186-Q195 WeakPolarHBondContact CA-O 3.32Å; T187-Q195 PolarHBondContact N-O 3.5Å; T187-Q195 WeakPolarHBondContact O-CA 3.19Å; T187-Q195 WeakPolarHBondContact O-CB 3.17Å; T187-Q195 PolarHBondContact O-N 2.78Å; D189-Q195 HydrophobicContact CB-CG 3.99Å; D189-Q195 PolarHBondContact OD2-NE2 2.95Å; Q195-I267 HydrophobicContact CB-CD1 4.38Å; Q195-I267 HydrophobicContact CB-CG2 3.89Å; Q195-I267 HydrophobicContact CG-CD1 4.13Å; Q195-I267 HydrophobicContact CG-CG2 4.34Å
196	F	94.2	Very high	89.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.6	171.6	-65	-112.7	0	0	0	108.5	P149 L150 L152 H185 I186 L194 Y198 V199 D203 Y210 L231	P149-F196 WeakPolarHBondContact CA-O 3.15Å; P149-F196 VanDerWaalsContact CB-O 3.26Å; P149-F196 WeakPolarHBondContact CB-O 3.46Å; L150-F196 HydrophobicContact CB-CB 4.04Å; L150-F196 HydrophobicContact CB-CD2 4.12Å; L150-F196 HydrophobicContact CB-CG 4.25Å; L150-F196 HydrophobicContact CD2-CD2 4.37Å; L150-F196 HydrophobicContact CD2-CE2 4.47Å; L150-F196 HydrophobicContact CG-CD2 4.35Å; L150-F196 PolarHBondContact N-O 2.94Å; L150-F196 VanDerWaalsContact N-O 3.14Å; L150-F196 PolarHBondContact O-N 2.8Å; L152-F196 HydrophobicContact CD1-CE2 4.03Å; L152-F196 HydrophobicContact CD1-CZ 4.49Å; L152-F196 HydrophobicContact CG-CE2 4.13Å; H185-F196 CarbonylContact O-C 3.47Å; H185-F196 WeakPolarHBondContact O-CA 3.35Å; I186-F196 HydrophobicContact CD1-CD1 3.93Å; I186-F196 HydrophobicContact CD1-CE1 3.46Å; I186-F196 VanDerWaalsContact CD1-CE1 3.46Å; I186-F196 HydrophobicContact CD1-CZ 4.14Å; I186-F196 HydrophobicContact CG1-CD1 3.73Å; I186-F196 HydrophobicContact CG1-CE1 3.79Å; I186-F196 HydrophobicContact CG1-CG 4.43Å; I186-F196 HydrophobicContact CG2-CD1 4.26Å; I186-F196 HydrophobicContact CG2-CD2 4.32Å; I186-F196 HydrophobicContact CG2-CE1 4.11Å; I186-F196 HydrophobicContact CG2-CE2 4.16Å; I186-F196 HydrophobicContact CG2-CG 4.35Å; I186-F196 HydrophobicContact CG2-CZ 4.04Å; L194-F196 HydrophobicContact CB-CE2 4.47Å; L194-F196 HydrophobicContact CD2-CE2 3.71Å; L194-F196 HydrophobicContact CD2-CZ 3.93Å; L194-F196 HydrophobicContact CG-CE2 3.9Å; F196-Y198 PolarHBondContact O-N 3Å; F196-V199 HydrophobicContact CB-CG2 4.08Å; F196-V199 HydrophobicContact CD1-CG2 3.97Å; F196-V199 HydrophobicContact CG-CG2 4.14Å; F196-D203 HydrophobicContact CE1-CB 4.2Å; F196-Y210 HydrophobicContact CZ-CE1 4.22Å; F196-Y210 HydrophobicContact CZ-CE2 4.28Å; F196-Y210 AromaticContact CZ-CZ 4Å; F196-L231 HydrophobicContact CE1-CD1 3.85Å; F196-L231 HydrophobicContact CZ-CD1 3.78Å
197	A	92.9	Very high	89.3	Confident	2 Å²	2	35.8 Å²	35.8	2%	0.017	21%	0.209	C	C	.	.	S	Bend	trans	-66.9	-31	175.3	0	0	0	0	0	112.2	H185 F268 S269 G270 A273	H185-A197 HydrophobicContact CB-CB 4.34Å; H185-A197 PolarHBondContact O-N 3.03Å; A197-F268 WeakPolarHBondContact CB-O 3.27Å; A197-S269 WeakPolarHBondContact O-CA 3.44Å; A197-S269 WeakPolarHBondContact O-CB 3.47Å; A197-G270 PolarHBondContact O-N 3.04Å; A197-A273 HydrophobicContact CB-CB 3.68Å
198	Y	92.3	Very high	89.3	Confident	37 Å²	37	35.7 Å²	35.7	15%	0.145	21%	0.209	C	C	.	.	S	Bend	trans	-155.7	157.5	164.1	64.4	-81.3	0	0	0	107.9	Q148 H185 F196 D200 G270 R271 A273	Q148-Y198 CarbonylContact O-C 3.5Å; Q148-Y198 WeakPolarHBondContact O-CA 3.44Å; H185-Y198 HydrophobicContact CB-CD1 3.88Å; H185-Y198 HydrophobicContact CB-CE1 3.47Å; H185-Y198 VanDerWaalsContact CB-CE1 3.47Å; H185-Y198 PolarHBondContact CD2-O 2.99Å; H185-Y198 VanDerWaalsContact CD2-O 3.27Å; H185-Y198 AromaticContact CG-CE1 3.98Å; F196-Y198 PolarHBondContact O-N 3Å; Y198-D200 HydrophobicContact CD2-CB 4.34Å; Y198-D200 HydrophobicContact CE2-CB 3.93Å; Y198-G270 WeakPolarHBondContact CD1-O 3.4Å; Y198-R271 HydrophobicContact CD1-CB 4.08Å; Y198-R271 HydrophobicContact CD1-CG 4.05Å; Y198-R271 HydrophobicContact CD2-CB 4.36Å; Y198-R271 HydrophobicContact CD2-CG 3.71Å; Y198-R271 HydrophobicContact CE1-CG 4.23Å; Y198-R271 HydrophobicContact CE2-CG 3.92Å; Y198-R271 HydrophobicContact CG-CB 3.93Å; Y198-R271 HydrophobicContact CG-CG 3.77Å; Y198-A273 HydrophobicContact CD1-CB 4.44Å; Y198-A273 HydrophobicContact CE1-CB 4.13Å
199	V	91.6	Very high	89.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.			trans	-98.5	130.7	168.9	179.8	0	0	0	0	110	V144 G147 Q148 L150 F196 D203 L231 L233	V144-V199 HydrophobicContact CG1-CB 4.49Å; V144-V199 HydrophobicContact CG1-CG1 4.01Å; V144-V199 HydrophobicContact CG1-CG2 4.48Å; V144-V199 HydrophobicContact CG2-CB 4.23Å; V144-V199 HydrophobicContact CG2-CG2 3.88Å; G147-V199 PolarHBondContact N-O 2.81Å; Q148-V199 PolarHBondContact O-N 3.29Å; L150-V199 HydrophobicContact CB-CG2 3.75Å; L150-V199 HydrophobicContact CD2-CG2 4.04Å; F196-V199 HydrophobicContact CB-CG2 4.08Å; F196-V199 HydrophobicContact CD1-CG2 3.97Å; F196-V199 HydrophobicContact CG-CG2 4.14Å; V199-D203 HydrophobicContact CG1-CB 4.07Å; V199-L231 HydrophobicContact CG1-CD1 4.4Å; V199-L233 HydrophobicContact CG1-CD2 4.47Å
200	D	87.8	Confident	89.5	Confident	35 Å²	35	33.9 Å²	33.9	19%	0.187	19%	0.194	C	C	.	.			trans	-105.7	156.3	178.1	-161.1	-99.9	0	0	0	111.4	Y198 L202 D203 R271	Y198-D200 HydrophobicContact CD2-CB 4.34Å; Y198-D200 HydrophobicContact CE2-CB 3.93Å; D200-L202 PolarHBondContact O-N 2.88Å; D200-L202 VanDerWaalsContact O-N 3.08Å; D200-L202 PolarHBondContact OD1-N 2.88Å; D200-D203 WeakPolarHBondContact CB-OD2 3.08Å; D200-D203 PolarHBondContact N-OD2 3.14Å; D200-D203 WeakPolarHBondContact O-CB 3.17Å; D200-D203 PolarHBondContact O-N 2.87Å; D200-R271 IonicContact OD2-CZ 2.84Å; D200-R271 IonicContact OD2-NH2 3.6Å; D200-R271 PolarHBondContact OD2-NH2 3.48Å
201	P	86.9	Confident	89.9	Confident	59 Å²	59	32 Å²	32	38%	0.383	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-53.8	-26.4	173.6	-30	38.8	0	0	0	115	E146 D203 L233	E146-P201 HydrophobicContact CG-CG 4.03Å; P201-D203 VanDerWaalsContact C-N 3.29Å; P201-D203 PolarHBondContact O-N 2.8Å; P201-L233 HydrophobicContact CB-CD1 4.41Å
202	L	87.8	Confident	90.2	Very high	136 Å²	136	28 Å²	28	71%	0.712	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-75.8	-11.2	175.4	-62.9	177	0	0	0	114.4	R183 D200	R183-L202 VanDerWaalsContact NH1-C 3.26Å; R183-L202 PolarHBondContact NH1-O 2.7Å; D200-L202 PolarHBondContact O-N 2.88Å; D200-L202 VanDerWaalsContact O-N 3.08Å; D200-L202 PolarHBondContact OD1-N 2.88Å
203	D	89.9	Confident	90.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-91.8	-11.2	176.8	-55.2	-40.5	0	0	0	113	R183 H185 F196 V199 D200 P201 L208 Y210 L231	R183-D203 IonicContact CZ-OD1 2.69Å; R183-D203 IonicContact NH1-OD1 3.95Å; R183-D203 PolarHBondContact NH1-OD1 2.71Å; H185-D203 IonicContact CD2-OD2 2.78Å; H185-D203 PolarHBondContact CD2-OD2 3.48Å; H185-D203 IonicContact CE1-OD1 2.74Å; H185-D203 IonicContact CE1-OD2 3.17Å; H185-D203 VanDerWaalsContact NE2-CG 3.27Å; H185-D203 IonicContact NE2-OD1 3.52Å; H185-D203 PolarHBondContact NE2-OD1 2.98Å; H185-D203 IonicContact NE2-OD2 2.84Å; H185-D203 PolarHBondContact NE2-OD2 2.93Å; F196-D203 HydrophobicContact CE1-CB 4.2Å; V199-D203 HydrophobicContact CG1-CB 4.07Å; D200-D203 WeakPolarHBondContact CB-OD2 3.08Å; D200-D203 PolarHBondContact N-OD2 3.14Å; D200-D203 WeakPolarHBondContact O-CB 3.17Å; D200-D203 PolarHBondContact O-N 2.87Å; P201-D203 VanDerWaalsContact C-N 3.29Å; P201-D203 PolarHBondContact O-N 2.8Å; D203-L208 WeakPolarHBondContact O-CD2 3.35Å; D203-Y210 PolarHBondContact O-OH 3.27Å; D203-L231 HydrophobicContact CB-CD1 4.47Å
204	A	87.2	Confident	90.3	Very high	19 Å²	19	26.6 Å²	26.6	16%	0.157	14%	0.14	C	C	.	.			trans	-131.8	96.8	-171.2	0	0	0	0	0	111.7	L231 L233	A204-L231 HydrophobicContact CB-CB 3.81Å; A204-L233 HydrophobicContact CB-CD1 3.75Å; A204-L233 HydrophobicContact CB-CG 3.66Å
205	N	80.6	Confident	90.1	Very high	55 Å²	55	28.8 Å²	28.8	29%	0.294	15%	0.153	S	C	.	.			trans	-133.4	140.6	-179.4	157.2	16.7	0	0	0	107.4	N207 L208	N205-N207 PolarHBondContact O-N 2.88Å; N205-N207 PolarHBondContact OD1-N 3.19Å; N205-N207 PolarHBondContact OD1-ND2 3.42Å; N205-L208 HydrophobicContact CB-CB 4.03Å; N205-L208 WeakPolarHBondContact O-CB 3.34Å; N205-L208 PolarHBondContact O-N 2.84Å
206	E	84	Confident	89.6	Confident	141 Å²	141	28.5 Å²	28.5	66%	0.659	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-27	178.9	71.3	-168.6	176.3	0	0	113.7	R230	E206-R230 WeakPolarHBondContact O-CD 3.43Å
207	N	86.5	Confident	89	Confident	33 Å²	33	32.2 Å²	32.2	18%	0.176	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-8.6	-178.7	-56	-80.2	0	0	0	113.4	D171 M172 K173 N205	D171-N207 WeakPolarHBondContact OD1-CB 3.19Å; M172-N207 HydrophobicContact CB-CB 4.37Å; M172-N207 WeakPolarHBondContact CB-O 3.29Å; M172-N207 VanDerWaalsContact CG-O 3.27Å; M172-N207 WeakPolarHBondContact CG-O 3.47Å; M172-N207 PolarHBondContact N-O 3.43Å; K173-N207 HydrophobicContact CB-CB 3.99Å; N205-N207 PolarHBondContact O-N 2.88Å; N205-N207 PolarHBondContact OD1-N 3.19Å; N205-N207 PolarHBondContact OD1-ND2 3.42Å
208	L	90.4	Very high	88.4	Confident	7 Å²	7	33.1 Å²	33.1	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	117.6	-171.3	-155.6	74.5	0	0	0	111.2	Y169 R170 D171 D203 N205 Y210	Y169-L208 HydrophobicContact CD2-CD1 3.68Å; Y169-L208 HydrophobicContact CD2-CG 4.25Å; Y169-L208 HydrophobicContact CE2-CD1 3.97Å; R170-L208 WeakPolarHBondContact O-CA 3.26Å; D171-L208 HydrophobicContact CB-CD1 4.03Å; D203-L208 WeakPolarHBondContact O-CD2 3.35Å; N205-L208 HydrophobicContact CB-CB 4.03Å; N205-L208 WeakPolarHBondContact O-CB 3.34Å; N205-L208 PolarHBondContact O-N 2.84Å; L208-Y210 HydrophobicContact CD2-CE2 3.97Å; L208-Y210 HydrophobicContact CG-CE2 4.46Å
209	V	92.3	Very high	87.7	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.6	-179.8	-178.4	0	0	0	0	109.6	I139 Y169 R170 M172 E228 F229	I139-V209 HydrophobicContact CD1-CG2 4.3Å; Y169-V209 CarbonylContact C-O 3.58Å; Y169-V209 WeakPolarHBondContact CA-O 3.3Å; R170-V209 HydrophobicContact CG-CB 4.26Å; R170-V209 PolarHBondContact N-O 3.48Å; R170-V209 PolarHBondContact O-N 2.78Å; M172-V209 HydrophobicContact CG-CG2 3.99Å; V209-E228 HydrophobicContact CG1-CB 3.89Å; V209-E228 HydrophobicContact CG1-CG 4.34Å; V209-F229 CarbonylContact C-O 3.5Å; V209-F229 WeakPolarHBondContact CA-O 3.4Å
210	Y	93.5	Very high	86.6	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.9	171.1	-65.9	-88	0	0	0	109.5	L168 Y169 I181 I186 L194 F196 D203 L208 E228 F229 L231	L168-Y210 WeakPolarHBondContact O-CA 3.13Å; Y169-Y210 HydrophobicContact CG-CE1 4.48Å; I181-Y210 HydrophobicContact CD1-CD1 3.73Å; I181-Y210 HydrophobicContact CD1-CE1 4.06Å; I186-Y210 HydrophobicContact CD1-CE1 4.49Å; L194-Y210 HydrophobicContact CD2-CD1 3.82Å; L194-Y210 HydrophobicContact CD2-CE1 4.3Å; L194-Y210 HydrophobicContact CD2-CG 4.4Å; F196-Y210 HydrophobicContact CZ-CE1 4.22Å; F196-Y210 HydrophobicContact CZ-CE2 4.28Å; F196-Y210 AromaticContact CZ-CZ 4Å; D203-Y210 PolarHBondContact O-OH 3.27Å; L208-Y210 HydrophobicContact CD2-CE2 3.97Å; L208-Y210 HydrophobicContact CG-CE2 4.46Å; Y210-E228 CarbonylContact O-C 3.58Å; Y210-E228 WeakPolarHBondContact O-CA 3.32Å; Y210-F229 PolarHBondContact N-O 2.63Å; Y210-F229 PolarHBondContact O-N 2.74Å; Y210-L231 HydrophobicContact CD2-CG 4.22Å; Y210-L231 HydrophobicContact CE2-CD1 3.9Å; Y210-L231 HydrophobicContact CE2-CG 3.98Å
211	Q	92.4	Very high	85.5	Confident	19 Å²	19	42.4 Å²	42.4	9%	0.089	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.7	176.2	178.5	162.4	62.1	0	0	110.8	W167 L168 M178 G226 D227 E228	W167-Q211 WeakPolarHBondContact CA-O 3.3Å; L168-Q211 PolarHBondContact N-O 2.84Å; L168-Q211 PolarHBondContact O-N 3.01Å; M178-Q211 HydrophobicContact CE-CB 3.43Å; M178-Q211 VanDerWaalsContact CE-CB 3.43Å; M178-Q211 HydrophobicContact CE-CG 4.31Å; M178-Q211 HydrophobicContact SD-CB 4.41Å; Q211-G226 PolarHBondContact NE2-O 3.25Å; Q211-D227 WeakPolarHBondContact CA-O 3.27Å; Q211-E228 HydrophobicContact CB-CG 4.17Å; Q211-E228 HydrophobicContact CG-CG 4.1Å; Q211-E228 PolarHBondContact NE2-OE1 2.71Å; Q211-E228 VanDerWaalsContact NE2-OE1 3.14Å
212	C	93	Very high	84.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	151.5	166	80.3	0	0	0	0	111.4	C154 F166 W167 G226 D227	C154-C212 HydrophobicContact CB-CB 3.58Å; C154-C212 WeakPolarHBondContact CB-SG 3.25Å; C154-C212 WeakPolarHBondContact SG-CB 3.44Å; C154-C212 CovalentContact SG-SG 2.04Å; C154-C212 PolarHBondContact SG-SG 3.1Å; F166-C212 WeakPolarHBondContact O-CA 3.31Å; W167-C212 HydrophobicContact CD2-CB 3.61Å; W167-C212 VanDerWaalsContact CE2-CB 3.44Å; W167-C212 HydrophobicContact CE3-CB 3.89Å; W167-C212 HydrophobicContact CG-CB 4.24Å; W167-C212 HydrophobicContact CH2-CB 3.94Å; W167-C212 HydrophobicContact CZ2-CB 3.65Å; W167-C212 HydrophobicContact CZ3-CB 4.04Å; C212-G226 VanDerWaalsContact O-CA 3.26Å; C212-G226 WeakPolarHBondContact O-CA 3.36Å; C212-G226 PolarHBondContact O-N 3.21Å; C212-D227 PolarHBondContact N-O 2.83Å; C212-D227 VanDerWaalsContact N-O 3.16Å
213	A	92.2	Very high	84.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	161.9	-178.9	0	0	0	0	0	110.9	I165 F166 Y223 R224	I165-A213 WeakPolarHBondContact CA-O 3.34Å; F166-A213 HydrophobicContact CD1-CB 3.91Å; F166-A213 VanDerWaalsContact CD1-O 3.27Å; F166-A213 WeakPolarHBondContact CD1-O 3.11Å; F166-A213 HydrophobicContact CD2-CB 4.46Å; F166-A213 HydrophobicContact CE1-CB 3.36Å; F166-A213 HydrophobicContact CE2-CB 4.01Å; F166-A213 HydrophobicContact CG-CB 4.43Å; F166-A213 HydrophobicContact CZ-CB 3.43Å; F166-A213 VanDerWaalsContact CZ-CB 3.43Å; F166-A213 PolarHBondContact N-O 3.48Å; F166-A213 PolarHBondContact O-N 2.71Å; A213-Y223 HydrophobicContact CB-CD2 4.01Å; A213-R224 CarbonylContact C-O 3.54Å; A213-R224 WeakPolarHBondContact CA-O 3.42Å; A213-R224 WeakPolarHBondContact CB-O 3.35Å
214	A	91.6	Very high	84.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.3	-176	0	0	0	0	0	111.7	L131 F134 P157 P163 T164 I165 Y223 R224	L131-A214 HydrophobicContact CD1-CB 4.33Å; F134-A214 HydrophobicContact CE2-CB 3.61Å; F134-A214 HydrophobicContact CZ-CB 3.92Å; P157-A214 HydrophobicContact CG-CB 3.75Å; P163-A214 HydrophobicContact CB-CB 4.21Å; T164-A214 WeakPolarHBondContact O-CA 3.13Å; I165-A214 HydrophobicContact CD1-CB 3.62Å; A214-Y223 CarbonylContact O-C 3.53Å; A214-Y223 VanDerWaalsContact O-CA 3.22Å; A214-Y223 WeakPolarHBondContact O-CA 3.41Å; A214-Y223 WeakPolarHBondContact O-CB 3.34Å; A214-R224 PolarHBondContact N-O 3.34Å; A214-R224 PolarHBondContact O-N 2.77Å
215	T	90	Very high	84.5	Confident	47 Å²	47	45.9 Å²	45.9	29%	0.288	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	163.9	167.4	58.7	0	0	0	0	110.9	P163 T164 F166	P163-T215 CarbonylContact C-O 3.6Å; P163-T215 WeakPolarHBondContact CA-O 3.39Å; P163-T215 WeakPolarHBondContact CB-O 3.37Å; T164-T215 PolarHBondContact N-O 2.96Å; T164-T215 PolarHBondContact O-N 3.24Å; F166-T215 HydrophobicContact CD1-CG2 4.35Å; F166-T215 HydrophobicContact CE1-CG2 3.73Å; F166-T215 HydrophobicContact CZ-CG2 4.37Å
216	S	85.3	Confident	85	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.028	25%	0.247	C	C	.	.			trans	-126.7	132.6	169.4	178.9	0	0	0	0	109.8	V218 L219	S216-V218 PolarHBondContact O-N 2.97Å; S216-L219 PolarHBondContact O-N 3.44Å
217	P	80.2	Confident	85.3	Confident	77 Å²	77	37.3 Å²	37.3	50%	0.5	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.3	-173.5	28.6	-36.9	0	0	0	114.5	P161 H220	P161-P217 HydrophobicContact CG-CG 3.66Å; P217-H220 PolarHBondContact O-CE1 2.94Å
218	V	80.1	Confident	85.6	Confident	22 Å²	22	37.2 Å²	37.2	13%	0.133	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	0.4	175.9	-53.5	0	0	0	0	113.1	W43 P161 S216	W43-V218 HydrophobicContact CB-CB 4.1Å; W43-V218 HydrophobicContact CB-CG1 3.82Å; W43-V218 HydrophobicContact CD2-CG1 3.84Å; W43-V218 HydrophobicContact CE3-CG1 4.24Å; W43-V218 HydrophobicContact CG-CB 4.43Å; W43-V218 HydrophobicContact CG-CG1 3.65Å; P161-V218 HydrophobicContact CG-CG1 4.08Å; S216-V218 PolarHBondContact O-N 2.97Å
219	L	78.8	Confident	85.7	Confident	15 Å²	15	37.6 Å²	37.6	8%	0.079	22%	0.217	C	C	.	.	S	Bend	trans	-119.5	70.5	176.8	-57.3	-179.6	0	0	0	108.4	H45 L131 S216 G221 E222	H45-L219 HydrophobicContact CB-CD2 3.42Å; H45-L219 VanDerWaalsContact CB-CD2 3.42Å; L131-L219 HydrophobicContact CB-CD1 3.49Å; L131-L219 VanDerWaalsContact CB-CD1 3.49Å; S216-L219 PolarHBondContact O-N 3.44Å; L219-G221 PolarHBondContact O-N 3.01Å; L219-E222 PolarHBondContact O-N 2.68Å
220	H	67.2	Low	85.8	Confident	163 Å²	163	41.1 Å²	41.1	76%	0.755	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	135.9	-172.9	-54.2	-70	0	0	0	112.2	P217 E222	P217-H220 PolarHBondContact O-CE1 2.94Å; H220-E222 PolarHBondContact O-N 2.78Å
221	G	64.9	Low	85.8	Confident	88 Å²	88	41.1 Å²	41.1	91%	0.907	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	-16.9	178	0	0	0	0	0	115.8	L219	L219-G221 PolarHBondContact O-N 3.01Å
222	E	71.6	Confident	85.7	Confident	82 Å²	82	42.6 Å²	42.6	38%	0.383	24%	0.24	S	C	.	.			trans	-97.1	132.2	-178.4	-72.2	-164.3	-155.9	0	0	113.6	L219 H220 R224	L219-E222 PolarHBondContact O-N 2.68Å; H220-E222 PolarHBondContact O-N 2.78Å; E222-R224 IonicContact OE2-CZ 2.69Å; E222-R224 IonicContact OE2-NH1 2.65Å; E222-R224 PolarHBondContact OE2-NH1 3.38Å; E222-R224 IonicContact OE2-NH2 3.38Å; E222-R224 PolarHBondContact OE2-NH2 2.92Å
223	Y	83.7	Confident	85.5	Confident	122 Å²	122	44.6 Å²	44.6	48%	0.478	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	167.7	162.3	73.7	-90.5	0	0	0	111.7	F166 A213 A214 A225	F166-Y223 HydrophobicContact CZ-CD2 4.03Å; F166-Y223 AromaticContact CZ-CG 3.95Å; F166-Y223 HydrophobicContact CZ-CG 3.95Å; A213-Y223 HydrophobicContact CB-CD2 4.01Å; A214-Y223 CarbonylContact O-C 3.53Å; A214-Y223 VanDerWaalsContact O-CA 3.22Å; A214-Y223 WeakPolarHBondContact O-CA 3.41Å; A214-Y223 WeakPolarHBondContact O-CB 3.34Å; Y223-A225 HydrophobicContact CE2-CB 4.38Å
224	R	88.4	Confident	85.1	Confident	34 Å²	34	48.4 Å²	48.4	13%	0.128	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.4	168.7	-58.1	-64.7	178.5	-106.8	1.9	108.1	L131 F134 A213 A214 E222	L131-R224 HydrophobicContact CD2-CG 3.87Å; L131-R224 HydrophobicContact CG-CG 3.88Å; F134-R224 HydrophobicContact CD2-CB 3.97Å; F134-R224 HydrophobicContact CE2-CB 4.18Å; F134-R224 VanDerWaalsContact CE2-O 3.27Å; F134-R224 WeakPolarHBondContact CE2-O 3.28Å; A213-R224 CarbonylContact C-O 3.54Å; A213-R224 WeakPolarHBondContact CA-O 3.42Å; A213-R224 WeakPolarHBondContact CB-O 3.35Å; A214-R224 PolarHBondContact N-O 3.34Å; A214-R224 PolarHBondContact O-N 2.77Å; E222-R224 IonicContact OE2-CZ 2.69Å; E222-R224 IonicContact OE2-NH1 2.65Å; E222-R224 PolarHBondContact OE2-NH1 3.38Å; E222-R224 IonicContact OE2-NH2 3.38Å; E222-R224 PolarHBondContact OE2-NH2 2.92Å
225	A	88.4	Confident	84.4	Confident	50 Å²	50	52 Å²	52	41%	0.413	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	144.6	173	0	0	0	0	0	110.5	F134 Y223	F134-A225 WeakPolarHBondContact CD2-O 3.34Å; Y223-A225 HydrophobicContact CE2-CB 4.38Å
226	G	89.7	Confident	83.3	Confident	11 Å²	11	54.4 Å²	54.4	11%	0.113	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-148.6	-173.3	0	0	0	0	0	114.3	F134 Q211 C212 E228	F134-G226 VanDerWaalsContact CD1-CA 3.43Å; Q211-G226 PolarHBondContact NE2-O 3.25Å; C212-G226 VanDerWaalsContact O-CA 3.26Å; C212-G226 WeakPolarHBondContact O-CA 3.36Å; C212-G226 PolarHBondContact O-N 3.21Å; G226-E228 PolarHBondContact O-N 2.79Å
227	D	90.6	Very high	82.6	Confident	4 Å²	4	61 Å²	61	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	132.9	-175.2	-67.6	-77.5	0	0	0	112.8	S137 R140 N155 Q211 C212 F229	S137-D227 PolarHBondContact OG-OD1 3.26Å; R140-D227 IonicContact CZ-OD1 2.76Å; R140-D227 IonicContact NE-OD1 3.04Å; R140-D227 IonicContact NH2-OD1 3.67Å; R140-D227 PolarHBondContact NH2-OD1 2.86Å; N155-D227 VanDerWaalsContact CB-OD2 3.3Å; N155-D227 WeakPolarHBondContact CB-OD2 3.46Å; N155-D227 PolarHBondContact N-OD2 3.44Å; N155-D227 VanDerWaalsContact ND2-CG 3.28Å; N155-D227 PolarHBondContact ND2-OD1 3.36Å; N155-D227 VanDerWaalsContact ND2-OD1 3.11Å; N155-D227 PolarHBondContact ND2-OD2 3.35Å; Q211-D227 WeakPolarHBondContact CA-O 3.27Å; C212-D227 PolarHBondContact N-O 2.83Å; C212-D227 VanDerWaalsContact N-O 3.16Å; D227-F229 HydrophobicContact CB-CD2 4.3Å; D227-F229 HydrophobicContact CB-CE2 3.4Å; D227-F229 VanDerWaalsContact CB-CE2 3.4Å; D227-F229 HydrophobicContact CB-CZ 3.79Å
228	E	92.3	Very high	81.9	Confident	32 Å²	32	58.2 Å²	58.2	15%	0.15	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.4	174.8	-63.4	-166.7	156.3	0	0	111.3	I139 R140 R170 V209 Y210 Q211 G226	I139-E228 WeakPolarHBondContact CA-O 3.22Å; I139-E228 HydrophobicContact CB-CB 4.44Å; I139-E228 HydrophobicContact CG1-CB 3.88Å; I139-E228 VanDerWaalsContact CG1-OE2 3.27Å; I139-E228 WeakPolarHBondContact CG1-OE2 3.45Å; R140-E228 PolarHBondContact N-O 2.91Å; R170-E228 IonicContact CZ-OE1 3.3Å; R170-E228 VanDerWaalsContact CZ-OE1 3.24Å; R170-E228 IonicContact NH1-OE1 3.75Å; R170-E228 PolarHBondContact NH1-OE1 3.32Å; R170-E228 IonicContact NH2-OE1 2.71Å; R170-E228 PolarHBondContact NH2-OE1 2.92Å; R170-E228 IonicContact NH2-OE2 3.06Å; R170-E228 PolarHBondContact NH2-OE2 2.86Å; V209-E228 HydrophobicContact CG1-CB 3.89Å; V209-E228 HydrophobicContact CG1-CG 4.34Å; Y210-E228 CarbonylContact O-C 3.58Å; Y210-E228 WeakPolarHBondContact O-CA 3.32Å; Q211-E228 HydrophobicContact CB-CG 4.17Å; Q211-E228 HydrophobicContact CG-CG 4.1Å; Q211-E228 PolarHBondContact NE2-OE1 2.71Å; Q211-E228 VanDerWaalsContact NE2-OE1 3.14Å; G226-E228 PolarHBondContact O-N 2.79Å
229	F	94.1	Very high	81.4	Confident	14 Å²	14	66.5 Å²	66.5	6%	0.061	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.4	-176.2	-60.6	-93.6	0	0	0	111.6	R140 V142 L152 R153 W167 V209 Y210 D227	R140-F229 HydrophobicContact CB-CD1 3.95Å; R140-F229 HydrophobicContact CB-CE1 4.25Å; R140-F229 WeakPolarHBondContact O-CA 3.48Å; V142-F229 HydrophobicContact CG2-CD1 3.91Å; L152-F229 HydrophobicContact CD1-CB 3.93Å; L152-F229 HydrophobicContact CD1-CD2 4.43Å; L152-F229 HydrophobicContact CD1-CG 4.13Å; L152-F229 HydrophobicContact CD2-CD1 4.14Å; L152-F229 HydrophobicContact CD2-CG 4.38Å; R153-F229 VanDerWaalsContact O-CZ 3.28Å; R153-F229 WeakPolarHBondContact O-CZ 3.5Å; W167-F229 AromaticContact CH2-CD2 3.79Å; W167-F229 HydrophobicContact CH2-CD2 3.79Å; W167-F229 AromaticContact CH2-CE2 3.57Å; W167-F229 HydrophobicContact CH2-CE2 3.57Å; W167-F229 HydrophobicContact CH2-CZ 4.48Å; W167-F229 AromaticContact CZ3-CD2 3.74Å; W167-F229 HydrophobicContact CZ3-CD2 3.74Å; W167-F229 AromaticContact CZ3-CE2 3.98Å; W167-F229 HydrophobicContact CZ3-CE2 3.98Å; V209-F229 CarbonylContact C-O 3.5Å; V209-F229 WeakPolarHBondContact CA-O 3.4Å; Y210-F229 PolarHBondContact N-O 2.63Å; Y210-F229 PolarHBondContact O-N 2.74Å; D227-F229 HydrophobicContact CB-CD2 4.3Å; D227-F229 HydrophobicContact CB-CE2 3.4Å; D227-F229 VanDerWaalsContact CB-CE2 3.4Å; D227-F229 HydrophobicContact CB-CZ 3.79Å
230	R	93.7	Very high	81.1	Confident	77 Å²	77	75.2 Å²	75.2	29%	0.291	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.1	172.4	175.8	173.4	58.8	-160.5	-4.8	109.7	I139 R140 D141 V142 E206	I139-R230 HydrophobicContact CG2-CB 3.98Å; R140-R230 PolarHBondContact O-N 3.43Å; D141-R230 VanDerWaalsContact CG-NH2 3.3Å; D141-R230 IonicContact OD1-CZ 3.86Å; D141-R230 VanDerWaalsContact OD1-CZ 3.25Å; D141-R230 IonicContact OD1-NE 3.23Å; D141-R230 PolarHBondContact OD1-NE 2.87Å; D141-R230 IonicContact OD1-NH2 3.76Å; D141-R230 PolarHBondContact OD1-NH2 3.27Å; D141-R230 IonicContact OD2-CZ 2.86Å; D141-R230 IonicContact OD2-NE 2.68Å; D141-R230 IonicContact OD2-NH2 3.61Å; D141-R230 PolarHBondContact OD2-NH2 3.34Å; V142-R230 PolarHBondContact N-O 3.46Å; E206-R230 WeakPolarHBondContact O-CD 3.43Å
231	L	93.8	Very high	81.7	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.016	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.2	-176.6	-57	-168.2	0	0	0	111.1	V142 L150 L152 F196 V199 D203 A204 Y210	V142-L231 HydrophobicContact CB-CD2 3.87Å; V142-L231 HydrophobicContact CG1-CD2 4.23Å; L150-L231 HydrophobicContact CD2-CD1 4.04Å; L150-L231 HydrophobicContact CD2-CD2 3.61Å; L150-L231 HydrophobicContact CD2-CG 4.49Å; L152-L231 HydrophobicContact CD1-CD2 4.27Å; L152-L231 HydrophobicContact CD2-CD2 4.12Å; F196-L231 HydrophobicContact CE1-CD1 3.85Å; F196-L231 HydrophobicContact CZ-CD1 3.78Å; V199-L231 HydrophobicContact CG1-CD1 4.4Å; D203-L231 HydrophobicContact CB-CD1 4.47Å; A204-L231 HydrophobicContact CB-CB 3.81Å; Y210-L231 HydrophobicContact CD2-CG 4.22Å; Y210-L231 HydrophobicContact CE2-CD1 3.9Å; Y210-L231 HydrophobicContact CE2-CG 3.98Å
232	V	90.9	Very high	82.6	Confident	49 Å²	49	68.2 Å²	68.2	30%	0.297	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.8	-178	-174.7	0	0	0	0	109.9	D141 V142 M143 V144	D141-V232 HydrophobicContact CB-CG2 4.41Å; V142-V232 PolarHBondContact O-N 2.86Å; M143-V232 WeakPolarHBondContact CA-O 3.3Å; M143-V232 HydrophobicContact CE-CB 3.96Å; M143-V232 HydrophobicContact CE-CG1 3.55Å; M143-V232 HydrophobicContact SD-CB 3.76Å; M143-V232 HydrophobicContact SD-CG1 3.91Å; M143-V232 HydrophobicContact SD-CG2 4.35Å; V144-V232 PolarHBondContact N-O 2.8Å
233	L	88.2	Confident	83.3	Confident	43 Å²	43	68.3 Å²	68.3	23%	0.225	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.7	-179.4	-79	166.9	0	0	0	112	V144 E146 V199 P201 A204	V144-L233 HydrophobicContact CG1-CD2 4.15Å; V144-L233 WeakPolarHBondContact O-CA 3.35Å; E146-L233 HydrophobicContact CB-CD2 4.03Å; V199-L233 HydrophobicContact CG1-CD2 4.47Å; P201-L233 HydrophobicContact CB-CD1 4.41Å; A204-L233 HydrophobicContact CB-CD1 3.75Å; A204-L233 HydrophobicContact CB-CG 3.66Å
234	T	84.6	Confident	83.7	Confident	80 Å²	80	63.9 Å²	63.9	49%	0.491	35%	0.345	S	S	.	.	S	Bend	trans	-94.3	-20.7	179.4	52.9	0	0	0	0	113.7	M143 V144 V145	M143-T234 HydrophobicContact CB-CG2 3.89Å; M143-T234 HydrophobicContact CE-CG2 3.54Å; V144-T234 PolarHBondContact O-N 3.33Å; V144-T234 PolarHBondContact O-OG1 3.27Å; V145-T234 VanDerWaalsContact CG2-OG1 3.26Å; V145-T234 WeakPolarHBondContact CG2-OG1 3.28Å
235	N	75.1	Confident	83.8	Confident	74 Å²	74	68.6 Å²	68.6	40%	0.396	37%	0.366	S	S	.	.			trans	-159.5	125.6	-177.7	-177.3	-4.2	0	0	0	109.8	V145 E146 N237	V145-N235 HydrophobicContact CG1-CB 4.42Å; E146-N235 VanDerWaalsContact CB-O 3.3Å; E146-N235 WeakPolarHBondContact CB-O 3.46Å; E146-N235 PolarHBondContact N-O 3.42Å; N235-N237 WeakPolarHBondContact OD1-CB 3.21Å; N235-N237 PolarHBondContact OD1-N 2.86Å
236	T	68.8	Low	84	Confident	98 Å²	98	70.9 Å²	70.9	60%	0.601	37%	0.367	S	S	*	.	S	Bend	trans	-106.1	17.8	-178.4	60.6	0	0	0	0	113.3	E146 G238	E146-T236 VanDerWaalsContact OE2-C 3.22Å; E146-T236 WeakPolarHBondContact OE2-CA 3.17Å; T236-G238 VanDerWaalsContact C-N 3.29Å
237	N	68.8	Low	84.1	Confident	142 Å²	142	72.9 Å²	72.9	76%	0.759	37%	0.374	S	S	*	.			trans	-97.8	47.2	167	-69.4	-43.3	0	0	0	109.7	N235	N235-N237 WeakPolarHBondContact OD1-CB 3.21Å; N235-N237 PolarHBondContact OD1-N 2.86Å
238	G	65.9	Low	84.3	Confident	20 Å²	20	74.6 Å²	74.6	21%	0.206	38%	0.381	C	S	.	.			trans	-61.8	147.8	-178.9	0	0	0	0	0	112.5	E146 T236 K240	E146-G238 WeakPolarHBondContact O-CA 3.4Å; E146-G238 WeakPolarHBondContact OE2-CA 3.38Å; E146-G238 PolarHBondContact OE2-N 3.34Å; T236-G238 VanDerWaalsContact C-N 3.29Å; G238-K240 PolarHBondContact O-N 2.92Å
239	R	70	Confident	84.4	Confident	196 Å²	196	74.1 Å²	74.1	74%	0.74	38%	0.38	S	S	*	.			trans	-64.9	138.4	170.9	-73.7	-172.6	175.2	-177.4	-0.8	109.5	S241 T242 R271	R239-S241 WeakPolarHBondContact CB-O 3.35Å; R239-S241 PolarHBondContact O-N 3.32Å; R239-T242 HydrophobicContact CB-CG2 4.22Å; R239-R271 PolarHBondContact O-NH1 3.4Å; R239-R271 VanDerWaalsContact O-NH1 3.1Å
240	K	71.6	Confident	84.3	Confident	198 Å²	198	73.9 Å²	73.9	86%	0.861	38%	0.38	S	S	*	.	S	Bend	trans	-63.4	-22.8	172.5	-67.1	-168.4	177.2	-173.1	0	113.1	G238	G238-K240 PolarHBondContact O-N 2.92Å
241	S	80.4	Confident	84.1	Confident	76 Å²	76	74.2 Å²	74.2	53%	0.531	39%	0.392	S	S	.	.			trans	-144.1	147.9	171.8	-174.1	0	0	0	0	112.6	R239 R271	R239-S241 WeakPolarHBondContact CB-O 3.35Å; R239-S241 PolarHBondContact O-N 3.32Å; S241-R271 WeakPolarHBondContact CA-O 3.39Å; S241-R271 VanDerWaalsContact CB-O 3.28Å; S241-R271 WeakPolarHBondContact CB-O 3.49Å; S241-R271 PolarHBondContact OG-O 3.45Å
242	T	83.9	Confident	84	Confident	27 Å²	27	81.5 Å²	81.5	17%	0.166	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-137.6	150.7	-179.9	54.7	0	0	0	0	110.4	G147 R239 G270 R271	G147-T242 WeakPolarHBondContact O-CG2 3.19Å; G147-T242 PolarHBondContact O-OG1 2.89Å; R239-T242 HydrophobicContact CB-CG2 4.22Å; T242-G270 WeakPolarHBondContact O-CA 3.34Å; T242-R271 PolarHBondContact N-O 2.83Å; T242-R271 PolarHBondContact O-N 3.26Å; T242-R271 WeakPolarHBondContact OG1-CB 3.37Å; T242-R271 PolarHBondContact OG1-N 2.86Å; T242-R271 VanDerWaalsContact OG1-N 3.1Å
243	S	86.6	Confident	84.1	Confident	85 Å²	85	85 Å²	85	59%	0.594	44%	0.435	S	S	*	.			trans	-76.1	150.7	-170.8	51.1	0	0	0	0	114.2	S269	S243-S269 PolarHBondContact O-OG 3.32Å; S243-S269 VanDerWaalsContact O-OG 3.13Å
244	V	91.2	Very high	84.1	Confident	29 Å²	29	84.7 Å²	84.7	18%	0.176	43%	0.434	C	S	.	.			trans	-71.8	131.1	177.4	-179	0	0	0	0	110.6	F268 S269 P274 A316 L319 A320	V244-F268 HydrophobicContact CG1-CB 3.9Å; V244-F268 HydrophobicContact CG1-CD1 3.97Å; V244-F268 HydrophobicContact CG1-CG 4.23Å; V244-S269 WeakPolarHBondContact CA-O 3.3Å; V244-P274 HydrophobicContact CG1-CG 4.28Å; V244-P274 HydrophobicContact CG2-CB 4.29Å; V244-P274 HydrophobicContact CG2-CG 4.04Å; V244-A316 HydrophobicContact CG1-CB 3.97Å; V244-L319 HydrophobicContact CB-CB 3.97Å; V244-L319 HydrophobicContact CB-CD1 4.47Å; V244-L319 HydrophobicContact CG1-CB 4.4Å; V244-L319 HydrophobicContact CG2-CB 3.97Å; V244-L319 HydrophobicContact CG2-CD1 3.62Å; V244-L319 HydrophobicContact CG2-CG 4.46Å; V244-A320 HydrophobicContact CG1-CB 3.88Å
245	K	91.5	Very high	84.1	Confident	132 Å²	132	86.7 Å²	86.7	57%	0.574	44%	0.44	S	S	*	.			trans	-143.5	147.8	174.2	-58.8	-179	-178.7	178	0	109.2	L247 F268 S269	K245-L247 PolarHBondContact O-N 2.88Å; K245-F268 CarbonylContact O-C 3.49Å; K245-F268 WeakPolarHBondContact O-CA 3.31Å; K245-F268 WeakPolarHBondContact O-CB 3.39Å; K245-S269 WeakPolarHBondContact CB-OG 3.41Å; K245-S269 PolarHBondContact N-OG 3.1Å; K245-S269 PolarHBondContact O-N 2.97Å
246	K	92.4	Very high	84.7	Confident	99 Å²	99	84.3 Å²	84.3	43%	0.43	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.5	175.5	-159.3	176	89.5	132.6	0	110	T249 F268 H322	K246-T249 HydrophobicContact CD-CG2 3.59Å; K246-T249 HydrophobicContact CG-CG2 3.82Å; K246-T249 PolarHBondContact NZ-OG1 2.83Å; K246-F268 HydrophobicContact CB-CD1 4.08Å; K246-F268 HydrophobicContact CB-CE1 3.95Å; K246-F268 HydrophobicContact CG-CD1 4.35Å; K246-F268 HydrophobicContact CG-CE1 3.98Å; K246-F268 HydrophobicContact CG-CZ 4.44Å; K246-H322 HydrophobicContact CD-CB 4.26Å; K246-H322 PolarHBondContact NZ-CE1 3.1Å; K246-H322 PolarHBondContact NZ-NE2 3.28Å; K246-H322 VanDerWaalsContact NZ-NE2 3.18Å
247	L	92.7	Very high	85.3	Confident	52 Å²	52	81.5 Å²	81.5	27%	0.272	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-53.6	174.7	-64.8	177.2	0	0	0	110.8	P149 K245 I267	P149-L247 HydrophobicContact CB-CD1 4.24Å; P149-L247 HydrophobicContact CB-CD2 4.12Å; K245-L247 PolarHBondContact O-N 2.88Å; L247-I267 HydrophobicContact CB-CG2 4.26Å; L247-I267 WeakPolarHBondContact CB-O 3.42Å; L247-I267 HydrophobicContact CD1-CG2 4.26Å; L247-I267 PolarHBondContact N-O 2.96Å
248	W	93.7	Very high	86	Confident	41 Å²	41	76.2 Å²	76.2	16%	0.155	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	149.2	179.1	-169.8	98.7	0	0	0	111.3	D189 D191 S250 T265 I267	D189-W248 HydrophobicContact CB-CB 3.95Å; D189-W248 HydrophobicContact CB-CD2 3.63Å; D189-W248 HydrophobicContact CB-CE3 4.05Å; D189-W248 HydrophobicContact CB-CG 3.57Å; D191-W248 PolarHBondContact OD2-NE1 2.8Å; W248-S250 VanDerWaalsContact CZ3-N 3.29Å; W248-T265 HydrophobicContact CE3-CG2 4.07Å; W248-T265 HydrophobicContact CZ3-CG2 3.86Å; W248-I267 PolarHBondContact N-O 2.82Å; W248-I267 PolarHBondContact O-N 3.44Å
249	T	93.6	Very high	86.8	Confident	21 Å²	21	78.1 Å²	78.1	13%	0.129	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.5	174.1	54.7	0	0	0	0	111.6	K246 T265 C266 H322	K246-T249 HydrophobicContact CD-CG2 3.59Å; K246-T249 HydrophobicContact CG-CG2 3.82Å; K246-T249 PolarHBondContact NZ-OG1 2.83Å; T249-T265 CarbonylContact C-O 3.48Å; T249-T265 VanDerWaalsContact CA-O 3.25Å; T249-T265 WeakPolarHBondContact CA-O 3.48Å; T249-C266 HydrophobicContact CG2-CB 4.07Å; T249-H322 HydrophobicContact CG2-CB 4.18Å; T249-H322 PolarHBondContact OG1-CD2 2.96Å; T249-H322 PolarHBondContact OG1-NE2 2.92Å
250	S	92.5	Very high	87.4	Confident	9 Å²	9	70.9 Å²	70.9	6%	0.063	39%	0.389	C	S	.	.			trans	-55	160.4	170.5	-65.5	0	0	0	0	112.7	W248 T265	W248-S250 VanDerWaalsContact CZ3-N 3.29Å; S250-T265 PolarHBondContact N-O 2.95Å; S250-T265 PolarHBondContact OG-N 3.5Å
251	P	90.9	Very high	88.3	Confident	85 Å²	85	65.7 Å²	65.7	55%	0.552	37%	0.371	S	S	*	.			trans	-54.6	143.9	-180	-28	36.4	0	0	0	113.7	K253	P251-K253 PolarHBondContact O-N 3.01Å
252	K	91.2	Very high	88.9	Confident	155 Å²	155	62.3 Å²	62.3	67%	0.674	35%	0.346	S	S	*	.	S	Bend	trans	-62	-25.8	-179	-174.7	177.2	178.1	-173.3	0	113.3	T325	K252-T325 PolarHBondContact O-N 2.94Å
253	K	91.8	Very high	89.3	Confident	124 Å²	124	65.1 Å²	65.1	54%	0.539	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.7	172.8	173.3	167.4	169.3	155.4	0	109.4	P251 T325 E327	P251-K253 PolarHBondContact O-N 3.01Å; K253-T325 WeakPolarHBondContact CA-O 3.3Å; K253-E327 VanDerWaalsContact CE-CD 3.4Å; K253-E327 VanDerWaalsContact CE-OE1 3.26Å; K253-E327 WeakPolarHBondContact CE-OE1 3.28Å; K253-E327 WeakPolarHBondContact CE-OE2 3.23Å; K253-E327 IonicContact NZ-OE1 3.34Å; K253-E327 PolarHBondContact NZ-OE1 2.85Å; K253-E327 IonicContact NZ-OE2 3.77Å; K253-E327 PolarHBondContact NZ-OE2 2.83Å
254	T	88.2	Confident	89.6	Confident	35 Å²	35	61.1 Å²	61.1	22%	0.215	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.3	-179.4	-53.5	0	0	0	0	108.6	L256 L262 T325 E327	T254-L256 HydrophobicContact CG2-CD2 3.86Å; T254-L262 HydrophobicContact CG2-CD1 4.17Å; T254-T325 PolarHBondContact N-O 3.06Å; T254-E327 PolarHBondContact O-N 3.18Å
255	M	86.2	Confident	89.8	Confident	123 Å²	123	60.1 Å²	60.1	61%	0.606	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	132.1	178.6	-174.3	-175.7	76.5	0	0	108.9	E327	M255-E327 WeakPolarHBondContact CA-O 3.47Å
256	L	86.2	Confident	89.9	Confident	23 Å²	23	53.9 Å²	53.9	12%	0.12	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.5	-171.5	48.9	158.2	0	0	0	112.4	T254 L262 V304 V326 E327 V328 S329	T254-L256 HydrophobicContact CG2-CD2 3.86Å; L256-L262 HydrophobicContact CD1-CB 3.84Å; L256-L262 HydrophobicContact CD1-CD1 4.31Å; L256-L262 HydrophobicContact CD2-CD1 4.27Å; L256-V304 HydrophobicContact CD1-CB 4Å; L256-V304 HydrophobicContact CD1-CG1 3.83Å; L256-V304 HydrophobicContact CD1-CG2 3.88Å; L256-V326 HydrophobicContact CD2-CG1 4.07Å; L256-E327 WeakPolarHBondContact CD2-O 3.44Å; L256-E327 PolarHBondContact N-O 3.08Å; L256-E327 VanDerWaalsContact N-O 3.09Å; L256-V328 WeakPolarHBondContact O-CA 3.41Å; L256-S329 PolarHBondContact O-N 2.8Å
257	A	81.8	Confident	90	Very high	40 Å²	40	49.2 Å²	49.2	33%	0.331	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140.8	175.5	0	0	0	0	0	110.9	S260 S329	A257-S260 WeakPolarHBondContact O-CB 3.48Å; A257-S260 PolarHBondContact O-N 3.26Å; A257-S260 VanDerWaalsContact O-N 3.14Å; A257-S260 PolarHBondContact O-OG 2.89Å; A257-S329 CarbonylContact C-O 3.15Å; A257-S329 WeakPolarHBondContact CA-O 3.4Å
258	A	84	Confident	90.1	Very high	31 Å²	31	47 Å²	47	26%	0.256	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	142.7	170.1	0	0	0	0	0	111.3	S260 V304 V328 S329 N330	A258-S260 VanDerWaalsContact C-N 3.3Å; A258-V304 CarbonylContact C-O 3.45Å; A258-V304 VanDerWaalsContact CA-O 3.24Å; A258-V304 WeakPolarHBondContact CA-O 3.09Å; A258-V328 HydrophobicContact CB-CG1 3.92Å; A258-S329 PolarHBondContact N-O 3.45Å; A258-N330 WeakPolarHBondContact CB-OD1 3.33Å
259	G	81.6	Confident	90.1	Very high	59 Å²	59	45.1 Å²	45.1	61%	0.608	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-12.1	-171.9	0	0	0	0	0	114.9	V304	G259-V304 PolarHBondContact N-O 2.99Å
260	S	84	Confident	89.9	Confident	44 Å²	44	44.1 Å²	44.1	31%	0.308	25%	0.252	S	S	.	.	S	Bend	trans	-81.4	160.8	170.5	68.8	0	0	0	0	112.2	A257 A258 V304	A257-S260 WeakPolarHBondContact O-CB 3.48Å; A257-S260 PolarHBondContact O-N 3.26Å; A257-S260 VanDerWaalsContact O-N 3.14Å; A257-S260 PolarHBondContact O-OG 2.89Å; A258-S260 VanDerWaalsContact C-N 3.3Å; S260-V304 VanDerWaalsContact O-CB 3.26Å; S260-V304 WeakPolarHBondContact O-CB 3.24Å; S260-V304 WeakPolarHBondContact O-CG2 3.49Å; S260-V304 PolarHBondContact O-N 2.83Å
261	D	89.9	Confident	89.8	Confident	90 Å²	90	45.2 Å²	45.2	48%	0.481	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-89.2	131.4	175.9	-76.9	8.1	0	0	0	110.9	V300 V301 H302 G303	D261-V300 HydrophobicContact CB-CG1 4.41Å; D261-V301 WeakPolarHBondContact CA-O 3.46Å; D261-H302 VanDerWaalsContact OD1-CA 3.23Å; D261-H302 WeakPolarHBondContact OD1-CA 3.36Å; D261-H302 IonicContact OD1-ND1 2.74Å; D261-H302 IonicContact OD2-CE1 3.61Å; D261-H302 IonicContact OD2-CG 3.91Å; D261-H302 IonicContact OD2-ND1 2.84Å; D261-H302 PolarHBondContact OD2-ND1 3.19Å; D261-G303 PolarHBondContact OD1-N 3.37Å
262	L	92.3	Very high	89.7	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.9	174	166.7	70.6	0	0	0	109.7	T254 L256 L264 V300 V301 V304 Y312 V326	T254-L262 HydrophobicContact CG2-CD1 4.17Å; L256-L262 HydrophobicContact CD1-CB 3.84Å; L256-L262 HydrophobicContact CD1-CD1 4.31Å; L256-L262 HydrophobicContact CD2-CD1 4.27Å; L262-L264 HydrophobicContact CD1-CD2 3.88Å; L262-L264 HydrophobicContact CD1-CG 3.9Å; L262-L264 HydrophobicContact CD2-CD1 4.11Å; L262-L264 HydrophobicContact CD2-CG 4.18Å; L262-L264 HydrophobicContact CG-CD1 4.48Å; L262-L264 HydrophobicContact CG-CG 3.99Å; L262-V300 CarbonylContact O-C 3.59Å; L262-V300 VanDerWaalsContact O-CA 3.25Å; L262-V300 WeakPolarHBondContact O-CA 3.31Å; L262-V301 HydrophobicContact CB-CB 4.22Å; L262-V301 HydrophobicContact CD2-CB 4.38Å; L262-V301 HydrophobicContact CD2-CG2 4.04Å; L262-V301 PolarHBondContact N-O 2.98Å; L262-V301 PolarHBondContact O-N 2.98Å; L262-V304 HydrophobicContact CB-CG2 3.59Å; L262-Y312 HydrophobicContact CD2-CE2 4.31Å; L262-V326 HydrophobicContact CD1-CG2 4.11Å; L262-V326 HydrophobicContact CD2-CB 4.48Å; L262-V326 HydrophobicContact CD2-CG1 3.88Å; L262-V326 HydrophobicContact CD2-CG2 3.75Å
263	E	92.2	Very high	89.6	Confident	87 Å²	87	38.7 Å²	38.7	41%	0.407	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.3	170.8	-170.2	155.3	139	0	0	111.7	K293 T298 V300	E263-K293 IonicContact OE1-NZ 2.68Å; E263-K293 IonicContact OE2-NZ 3.79Å; E263-K293 PolarHBondContact OE2-NZ 2.86Å; E263-T298 HydrophobicContact CG-CG2 3.49Å; E263-T298 VanDerWaalsContact CG-CG2 3.49Å; E263-T298 WeakPolarHBondContact OE1-CG2 3.49Å; E263-V300 HydrophobicContact CG-CG2 4.11Å; E263-V300 WeakPolarHBondContact OE2-CG2 3.29Å
264	L	94.2	Very high	89.6	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.8	174.2	-65.2	-179.7	0	0	0	109.7	L262 W278 T298 L299 Y312 M324 V326	L262-L264 HydrophobicContact CD1-CD2 3.88Å; L262-L264 HydrophobicContact CD1-CG 3.9Å; L262-L264 HydrophobicContact CD2-CD1 4.11Å; L262-L264 HydrophobicContact CD2-CG 4.18Å; L262-L264 HydrophobicContact CG-CD1 4.48Å; L262-L264 HydrophobicContact CG-CG 3.99Å; L264-W278 HydrophobicContact CB-CH2 3.66Å; L264-W278 HydrophobicContact CB-CZ3 3.7Å; L264-W278 HydrophobicContact CD1-CZ3 4.27Å; L264-W278 WeakPolarHBondContact O-CH2 3.37Å; L264-W278 WeakPolarHBondContact O-CZ2 3.17Å; L264-T298 CarbonylContact O-C 3.51Å; L264-T298 WeakPolarHBondContact O-CA 3.36Å; L264-L299 PolarHBondContact N-O 3.07Å; L264-L299 PolarHBondContact O-N 2.85Å; L264-Y312 VanDerWaalsContact CD1-CB 3.48Å; L264-Y312 HydrophobicContact CD1-CD1 4.01Å; L264-Y312 HydrophobicContact CD1-CD2 4.02Å; L264-Y312 HydrophobicContact CD1-CG 3.57Å; L264-M324 HydrophobicContact CD2-CB 4.32Å; L264-M324 HydrophobicContact CD2-SD 4.11Å; L264-V326 HydrophobicContact CD1-CG2 4.12Å
265	T	94.2	Very high	89.7	Confident	8 Å²	8	35.7 Å²	35.7	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.7	-175.8	-71.6	0	0	0	0	111.3	W248 T249 S250 I267 K297 T298	W248-T265 HydrophobicContact CE3-CG2 4.07Å; W248-T265 HydrophobicContact CZ3-CG2 3.86Å; T249-T265 CarbonylContact C-O 3.48Å; T249-T265 VanDerWaalsContact CA-O 3.25Å; T249-T265 WeakPolarHBondContact CA-O 3.48Å; S250-T265 PolarHBondContact N-O 2.95Å; S250-T265 PolarHBondContact OG-N 3.5Å; T265-I267 HydrophobicContact CG2-CD1 4.22Å; T265-I267 HydrophobicContact CG2-CG1 4Å; T265-K297 CarbonylContact C-O 3.57Å; T265-K297 VanDerWaalsContact CA-O 3.3Å; T265-K297 WeakPolarHBondContact CA-O 3.39Å; T265-T298 VanDerWaalsContact OG1-CB 3.3Å; T265-T298 WeakPolarHBondContact OG1-CB 3.43Å; T265-T298 VanDerWaalsContact OG1-CG2 3.23Å; T265-T298 WeakPolarHBondContact OG1-CG2 3.44Å; T265-T298 PolarHBondContact OG1-OG1 2.75Å
266	C	95.1	Very high	90.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	124.4	174.4	-62	0	0	0	0	111.3	T249 F268 W278 K297 C314 M324	T249-C266 HydrophobicContact CG2-CB 4.07Å; C266-F268 HydrophobicContact CB-CD2 4.41Å; C266-F268 HydrophobicContact CB-CE2 3.79Å; C266-W278 HydrophobicContact CB-CH2 4.44Å; C266-W278 HydrophobicContact CB-CZ2 4.34Å; C266-K297 PolarHBondContact N-O 2.81Å; C266-K297 WeakPolarHBondContact O-CB 3.45Å; C266-C314 HydrophobicContact CB-CB 3.68Å; C266-C314 WeakPolarHBondContact CB-SG 3.36Å; C266-C314 WeakPolarHBondContact SG-CB 3.37Å; C266-C314 CovalentContact SG-SG 2.03Å; C266-C314 PolarHBondContact SG-SG 2.89Å; C266-M324 VanDerWaalsContact SG-CE 3.58Å
267	I	94.3	Very high	90.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.9	-178.1	-54.7	175.6	0	0	0	108.6	T187 D189 Q195 L247 W248 T265 K297	T187-I267 HydrophobicContact CG2-CD1 3.81Å; T187-I267 HydrophobicContact CG2-CG1 4.36Å; D189-I267 HydrophobicContact CB-CD1 3.8Å; Q195-I267 HydrophobicContact CB-CD1 4.38Å; Q195-I267 HydrophobicContact CB-CG2 3.89Å; Q195-I267 HydrophobicContact CG-CD1 4.13Å; Q195-I267 HydrophobicContact CG-CG2 4.34Å; L247-I267 HydrophobicContact CB-CG2 4.26Å; L247-I267 WeakPolarHBondContact CB-O 3.42Å; L247-I267 HydrophobicContact CD1-CG2 4.26Å; L247-I267 PolarHBondContact N-O 2.96Å; W248-I267 PolarHBondContact N-O 2.82Å; W248-I267 PolarHBondContact O-N 3.44Å; T265-I267 HydrophobicContact CG2-CD1 4.22Å; T265-I267 HydrophobicContact CG2-CG1 4Å; I267-K297 HydrophobicContact CB-CD 4.48Å; I267-K297 HydrophobicContact CG1-CD 4.16Å; I267-K297 HydrophobicContact CG2-CD 4.24Å
268	F	94.8	Very high	91.1	Very high	4 Å²	4	34 Å²	34	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.8	179.9	-63.8	-98.8	0	0	0	111.2	A197 V244 K245 K246 C266 P274 I276 A316 A320	A197-F268 WeakPolarHBondContact CB-O 3.27Å; V244-F268 HydrophobicContact CG1-CB 3.9Å; V244-F268 HydrophobicContact CG1-CD1 3.97Å; V244-F268 HydrophobicContact CG1-CG 4.23Å; K245-F268 CarbonylContact O-C 3.49Å; K245-F268 WeakPolarHBondContact O-CA 3.31Å; K245-F268 WeakPolarHBondContact O-CB 3.39Å; K246-F268 HydrophobicContact CB-CD1 4.08Å; K246-F268 HydrophobicContact CB-CE1 3.95Å; K246-F268 HydrophobicContact CG-CD1 4.35Å; K246-F268 HydrophobicContact CG-CE1 3.98Å; K246-F268 HydrophobicContact CG-CZ 4.44Å; C266-F268 HydrophobicContact CB-CD2 4.41Å; C266-F268 HydrophobicContact CB-CE2 3.79Å; F268-P274 HydrophobicContact CB-CG 4.25Å; F268-I276 HydrophobicContact CD2-CD1 3.57Å; F268-I276 HydrophobicContact CE2-CD1 4.07Å; F268-A316 HydrophobicContact CB-CB 4.46Å; F268-A316 HydrophobicContact CD1-CB 4.31Å; F268-A316 HydrophobicContact CD2-CB 3.93Å; F268-A316 HydrophobicContact CE2-CB 4.12Å; F268-A316 HydrophobicContact CG-CB 4.01Å; F268-A316 HydrophobicContact CZ-CB 4.43Å; F268-A320 HydrophobicContact CD1-CB 3.85Å; F268-A320 HydrophobicContact CE1-CB 3.53Å; F268-A320 HydrophobicContact CZ-CB 4.43Å
269	S	93.4	Very high	91.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	21%	0.207	C	C	.	.			trans	-78.3	171.6	171.4	69.6	0	0	0	0	112.5	A197 S243 V244 K245	A197-S269 WeakPolarHBondContact O-CA 3.44Å; A197-S269 WeakPolarHBondContact O-CB 3.47Å; S243-S269 PolarHBondContact O-OG 3.32Å; S243-S269 VanDerWaalsContact O-OG 3.13Å; V244-S269 WeakPolarHBondContact CA-O 3.3Å; K245-S269 WeakPolarHBondContact CB-OG 3.41Å; K245-S269 PolarHBondContact N-OG 3.1Å; K245-S269 PolarHBondContact O-N 2.97Å
270	G	89.4	Confident	92.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	18%	0.183	C	C	.	.			trans	140.1	148.6	169.4	0	0	0	0	0	111.6	A197 Y198 T242 P272 A273	A197-G270 PolarHBondContact O-N 3.04Å; Y198-G270 WeakPolarHBondContact CD1-O 3.4Å; T242-G270 WeakPolarHBondContact O-CA 3.34Å; G270-P272 CarbonylContact C-O 3.41Å; G270-P272 CarbonylContact O-C 3.39Å; G270-A273 VanDerWaalsContact O-CA 3.31Å; G270-A273 WeakPolarHBondContact O-CA 3.49Å; G270-A273 PolarHBondContact O-N 2.99Å
271	R	89.5	Confident	92.6	Very high	31 Å²	31	37.1 Å²	37.1	12%	0.117	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-119	118.3	172.7	-165.1	179.4	-160.9	-170.4	9	108.8	E146 Y198 D200 R239 S241 T242	E146-R271 IonicContact OE1-CZ 3.24Å; E146-R271 IonicContact OE1-NH1 2.81Å; E146-R271 PolarHBondContact OE1-NH1 3.31Å; E146-R271 IonicContact OE1-NH2 3.56Å; E146-R271 PolarHBondContact OE1-NH2 2.83Å; Y198-R271 HydrophobicContact CD1-CB 4.08Å; Y198-R271 HydrophobicContact CD1-CG 4.05Å; Y198-R271 HydrophobicContact CD2-CB 4.36Å; Y198-R271 HydrophobicContact CD2-CG 3.71Å; Y198-R271 HydrophobicContact CE1-CG 4.23Å; Y198-R271 HydrophobicContact CE2-CG 3.92Å; Y198-R271 HydrophobicContact CG-CB 3.93Å; Y198-R271 HydrophobicContact CG-CG 3.77Å; D200-R271 IonicContact OD2-CZ 2.84Å; D200-R271 IonicContact OD2-NH2 3.6Å; D200-R271 PolarHBondContact OD2-NH2 3.48Å; R239-R271 PolarHBondContact O-NH1 3.4Å; R239-R271 VanDerWaalsContact O-NH1 3.1Å; S241-R271 WeakPolarHBondContact CA-O 3.39Å; S241-R271 VanDerWaalsContact CB-O 3.28Å; S241-R271 WeakPolarHBondContact CB-O 3.49Å; S241-R271 PolarHBondContact OG-O 3.45Å; T242-R271 PolarHBondContact N-O 2.83Å; T242-R271 PolarHBondContact O-N 3.26Å; T242-R271 WeakPolarHBondContact OG1-CB 3.37Å; T242-R271 PolarHBondContact OG1-N 2.86Å; T242-R271 VanDerWaalsContact OG1-N 3.1Å
272	P	89	Confident	92.5	Very high	99 Å²	99	37.7 Å²	37.7	64%	0.643	19%	0.192	S	C	*	.	S	Bend	cis	-61.1	163.6	-12.5	31.3	-37	0	0	0	112.1	G270	G270-P272 CarbonylContact C-O 3.41Å; G270-P272 CarbonylContact O-C 3.39Å
273	A	89.9	Confident	92.2	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.041	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-69.4	124.4	-179.6	0	0	0	0	0	110.6	R184 H185 A197 Y198 G270	R184-A273 PolarHBondContact NE-O 3.08Å; R184-A273 PolarHBondContact NH2-O 3.28Å; H185-A273 HydrophobicContact CB-CB 3.99Å; A197-A273 HydrophobicContact CB-CB 3.68Å; Y198-A273 HydrophobicContact CD1-CB 4.44Å; Y198-A273 HydrophobicContact CE1-CB 4.13Å; G270-A273 VanDerWaalsContact O-CA 3.31Å; G270-A273 WeakPolarHBondContact O-CA 3.49Å; G270-A273 PolarHBondContact O-N 2.99Å
274	P	91.4	Very high	92	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.065	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-65.2	152.9	-170.5	26.4	-35.8	0	0	0	113	V244 F268 A316 E317	V244-P274 HydrophobicContact CG1-CG 4.28Å; V244-P274 HydrophobicContact CG2-CB 4.29Å; V244-P274 HydrophobicContact CG2-CG 4.04Å; F268-P274 HydrophobicContact CB-CG 4.25Å; P274-A316 HydrophobicContact CB-CB 4.25Å; P274-A316 HydrophobicContact CG-CB 4.24Å; P274-E317 VanDerWaalsContact CA-OE2 3.27Å; P274-E317 WeakPolarHBondContact CA-OE2 3.26Å; P274-E317 VanDerWaalsContact CB-OE2 3.31Å; P274-E317 WeakPolarHBondContact CB-OE2 3.49Å
275	L	91.3	Very high	91.8	Very high	85 Å²	85	44 Å²	44	45%	0.445	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-71.5	141.3	164.3	-66.8	172.2	0	0	0	110.3	E317	L275-E317 HydrophobicContact CB-CG 4.05Å; L275-E317 VanDerWaalsContact CB-OE1 3.22Å; L275-E317 WeakPolarHBondContact CB-OE1 3.44Å; L275-E317 VanDerWaalsContact CG-OE1 3.27Å; L275-E317 WeakPolarHBondContact CG-OE1 3.22Å; L275-E317 PolarHBondContact N-OE1 3.02Å
276	I	93.8	Very high	91.4	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.062	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.3	172.9	-51.2	-53.6	0	0	0	109.3	F268 K297 C314 D315 A316	F268-I276 HydrophobicContact CD2-CD1 3.57Å; F268-I276 HydrophobicContact CE2-CD1 4.07Å; I276-K297 HydrophobicContact CG1-CG 4.01Å; I276-C314 HydrophobicContact CG2-CB 4Å; I276-D315 CarbonylContact C-O 3.49Å; I276-D315 WeakPolarHBondContact CA-O 3.42Å; I276-A316 HydrophobicContact CD1-CB 3.81Å
277	Q	93.6	Very high	90.7	Very high	123 Å²	123	49.3 Å²	49.3	58%	0.575	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	145.9	169	-56.8	-166.3	17.5	0	0	109.1	C314 D315	Q277-C314 WeakPolarHBondContact O-CA 3.2Å; Q277-D315 PolarHBondContact N-O 2.83Å; Q277-D315 PolarHBondContact O-N 2.85Å
278	W	95	Very high	90.3	Very high	17 Å²	17	57.1 Å²	57.1	6%	0.064	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.4	-179.7	-72.4	88.7	0	0	0	109.8	L264 C266 L285 G296 L299 V313 C314 M324	L264-W278 HydrophobicContact CB-CH2 3.66Å; L264-W278 HydrophobicContact CB-CZ3 3.7Å; L264-W278 HydrophobicContact CD1-CZ3 4.27Å; L264-W278 WeakPolarHBondContact O-CH2 3.37Å; L264-W278 WeakPolarHBondContact O-CZ2 3.17Å; C266-W278 HydrophobicContact CB-CH2 4.44Å; C266-W278 HydrophobicContact CB-CZ2 4.34Å; W278-L285 HydrophobicContact CB-CD1 3.88Å; W278-L285 WeakPolarHBondContact O-CD1 3.41Å; W278-G296 PolarHBondContact NE1-O 3.15Å; W278-L299 HydrophobicContact CB-CD2 4.26Å; W278-L299 HydrophobicContact CD2-CB 3.62Å; W278-L299 HydrophobicContact CD2-CD2 3.99Å; W278-L299 HydrophobicContact CD2-CG 4.36Å; W278-L299 HydrophobicContact CE3-CB 3.93Å; W278-L299 HydrophobicContact CE3-CD2 3.76Å; W278-L299 HydrophobicContact CE3-CG 4.49Å; W278-L299 HydrophobicContact CG-CB 4.05Å; W278-L299 HydrophobicContact CG-CD2 4.23Å; W278-L299 HydrophobicContact CH2-CB 4.27Å; W278-L299 HydrophobicContact CZ2-CB 3.99Å; W278-L299 HydrophobicContact CZ3-CB 4.22Å; W278-L299 HydrophobicContact CZ3-CD2 4.4Å; W278-V313 WeakPolarHBondContact CA-O 3.42Å; W278-C314 HydrophobicContact CD2-CB 4.05Å; W278-C314 HydrophobicContact CE3-CB 3.89Å; W278-C314 HydrophobicContact CH2-CB 3.84Å; W278-C314 HydrophobicContact CZ2-CB 3.98Å; W278-C314 HydrophobicContact CZ3-CB 3.8Å; W278-M324 HydrophobicContact CH2-CE 3.99Å; W278-M324 HydrophobicContact CZ3-CE 3.68Å
279	S	94.4	Very high	90.1	Very high	57 Å²	57	60.3 Å²	60.3	40%	0.399	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	172.6	173.6	63	0	0	0	0	110.9	Y312 V313	S279-Y312 WeakPolarHBondContact O-CA 3.13Å; S279-V313 PolarHBondContact N-O 2.82Å; S279-V313 PolarHBondContact O-N 3.3Å
280	K	94.1	Very high	90.1	Very high	26 Å²	26	62 Å²	62	11%	0.113	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.9	171.7	173.6	172.3	175.2	166.9	0	107.8	G283 L285 A307 D308 Q309 T311 Y312	K280-G283 VanDerWaalsContact O-O 3.11Å; K280-L285 HydrophobicContact CB-CD2 4.12Å; K280-A307 PolarHBondContact NZ-O 2.98Å; K280-D308 PolarHBondContact NZ-O 2.87Å; K280-Q309 WeakPolarHBondContact CE-O 3.44Å; K280-Q309 PolarHBondContact NZ-O 3.19Å; K280-T311 WeakPolarHBondContact CA-O 3.31Å; K280-Y312 HydrophobicContact CD-CE2 4.4Å
281	K	92.4	Very high	90.3	Very high	115 Å²	115	64 Å²	64	50%	0.5	34%	0.34	S	S	.	.	S	Bend	trans	-77	-36.5	-178.7	-74	-170.1	170.5	-179.4	0	112.8	T311 V313 E323	K281-T311 HydrophobicContact CD-CG2 4.08Å; K281-T311 PolarHBondContact N-O 2.85Å; K281-V313 HydrophobicContact CD-CG2 4.41Å; K281-V313 HydrophobicContact CG-CG2 3.89Å; K281-E323 WeakPolarHBondContact CE-OE1 3.34Å; K281-E323 IonicContact NZ-OE1 2.71Å; K281-E323 PolarHBondContact NZ-OE1 2.82Å; K281-E323 IonicContact NZ-OE2 2.85Å; K281-E323 PolarHBondContact NZ-OE2 2.99Å
282	E	88.6	Confident	90.3	Very high	103 Å²	103	69.1 Å²	69.1	48%	0.481	36%	0.359	S	S	.	.	S	Bend	trans	-100	28.7	-170.8	-46.5	82.2	174.9	0	0	112.6	G310 T311	E282-G310 WeakPolarHBondContact OE2-CA 3.35Å; E282-T311 WeakPolarHBondContact OE1-CB 3.44Å; E282-T311 PolarHBondContact OE1-N 2.8Å; E282-T311 PolarHBondContact OE1-OG1 2.76Å; E282-T311 PolarHBondContact OE2-N 3.02Å
283	G	85.3	Confident	90.2	Very high	46 Å²	46	69 Å²	69	47%	0.474	35%	0.348	S	S	.	.	S	Bend	trans	143.8	-169.6	178.8	0	0	0	0	0	113.1	K280	K280-G283 VanDerWaalsContact O-O 3.11Å
284	E	88	Confident	90	Very high	159 Å²	159	71.7 Å²	71.7	74%	0.743	36%	0.362	S	S	*	.			trans	-75.4	163.7	175.3	-62.3	-169.8	178.1	0	0	112.5
285	L	90.7	Very high	89.8	Confident	18 Å²	18	77.1 Å²	77.1	9%	0.094	38%	0.382	C	S	.	.			trans	-71	148.4	165.5	-69.8	178.8	0	0	0	110.1	W278 K280 N287 I290 L299 Y312	W278-L285 HydrophobicContact CB-CD1 3.88Å; W278-L285 WeakPolarHBondContact O-CD1 3.41Å; K280-L285 HydrophobicContact CB-CD2 4.12Å; L285-N287 PolarHBondContact O-N 3.44Å; L285-I290 HydrophobicContact CB-CD1 4.37Å; L285-I290 HydrophobicContact CD1-CD1 4.36Å; L285-L299 HydrophobicContact CD2-CD2 4.11Å; L285-Y312 HydrophobicContact CD2-CD1 3.71Å; L285-Y312 HydrophobicContact CD2-CE1 3.54Å
286	P	86	Confident	89.7	Confident	25 Å²	25	73.7 Å²	73.7	16%	0.162	37%	0.367	C	S	.	.			trans	-75.6	70.9	179.4	31.7	-35.8	0	0	0	111.1	N288 R289 I290 V301 D308	P286-N288 PolarHBondContact O-N 2.82Å; P286-R289 PolarHBondContact O-N 2.8Å; P286-I290 HydrophobicContact CG-CG2 3.89Å; P286-I290 PolarHBondContact O-N 2.89Å; P286-V301 HydrophobicContact CG-CG1 3.64Å; P286-V301 HydrophobicContact CG-CG2 4.32Å; P286-D308 WeakPolarHBondContact CG-OD1 3.33Å
287	N	80.1	Confident	89.7	Confident	95 Å²	95	73.6 Å²	73.6	51%	0.508	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-50.3	-31.9	-164.2	-68.6	-40.8	0	0	0	115.5	L285 R289	L285-N287 PolarHBondContact O-N 3.44Å; N287-R289 VanDerWaalsContact C-N 3.33Å; N287-R289 PolarHBondContact O-N 2.98Å
288	N	85.5	Confident	89.6	Confident	166 Å²	166	67.8 Å²	67.8	89%	0.888	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-82.5	-5.3	-179.8	-62.2	1.2	0	0	0	114.3	P286	P286-N288 PolarHBondContact O-N 2.82Å
289	R	91.5	Very high	89.6	Confident	72 Å²	72	67 Å²	67	27%	0.272	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-124.3	9.5	178.7	-70.8	-174.3	-63.3	109.7	6.1	113.3	P286 N287 H302 G303 N305 D308	P286-R289 PolarHBondContact O-N 2.8Å; N287-R289 VanDerWaalsContact C-N 3.33Å; N287-R289 PolarHBondContact O-N 2.98Å; R289-H302 WeakPolarHBondContact CD-O 3.16Å; R289-H302 PolarHBondContact NH1-O 3.36Å; R289-H302 PolarHBondContact O-CD2 3.49Å; R289-H302 PolarHBondContact O-N 3.43Å; R289-G303 PolarHBondContact NH1-O 3.14Å; R289-G303 VanDerWaalsContact NH1-O 3.1Å; R289-N305 VanDerWaalsContact CZ-ND2 3.35Å; R289-N305 PolarHBondContact NH2-ND2 2.78Å; R289-D308 IonicContact CZ-OD1 2.74Å; R289-D308 IonicContact CZ-OD2 3.16Å; R289-D308 IonicContact NH1-OD1 2.65Å; R289-D308 IonicContact NH1-OD2 2.7Å; R289-D308 PolarHBondContact NH1-OD2 3.5Å; R289-D308 VanDerWaalsContact NH2-CG 3.27Å; R289-D308 IonicContact NH2-OD1 3.07Å; R289-D308 PolarHBondContact NH2-OD1 3.33Å; R289-D308 IonicContact NH2-OD2 3.83Å; R289-D308 PolarHBondContact NH2-OD2 2.98Å
290	I	92.6	Very high	89.6	Confident	36 Å²	36	64.3 Å²	64.3	19%	0.185	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.6	177	63.9	179.1	0	0	0	112.6	L285 P286 L299 V300 V301	L285-I290 HydrophobicContact CB-CD1 4.37Å; L285-I290 HydrophobicContact CD1-CD1 4.36Å; P286-I290 HydrophobicContact CG-CG2 3.89Å; P286-I290 PolarHBondContact O-N 2.89Å; I290-L299 HydrophobicContact CB-CD1 3.93Å; I290-L299 HydrophobicContact CD1-CD1 4.3Å; I290-L299 HydrophobicContact CG2-CD1 3.99Å; I290-V300 CarbonylContact C-O 3.55Å; I290-V300 VanDerWaalsContact CA-O 3.22Å; I290-V300 WeakPolarHBondContact CA-O 3.29Å; I290-V301 HydrophobicContact CG2-CG2 4.13Å
291	S	92.8	Very high	89.6	Confident	43 Å²	43	63.1 Å²	63.1	30%	0.301	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	160.2	160.9	71.8	0	0	0	0	110.5	V300 H302	S291-V300 PolarHBondContact N-O 2.91Å; S291-V300 PolarHBondContact O-N 3.41Å; S291-H302 WeakPolarHBondContact CB-NE2 3.33Å; S291-H302 PolarHBondContact OG-NE2 3.27Å
292	R	90.8	Very high	89.6	Confident	140 Å²	140	61 Å²	61	53%	0.528	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	109	-177.3	-68.4	-175	-175.1	179.4	2.8	110.6	T298	R292-T298 CarbonylContact C-O 3.54Å; R292-T298 VanDerWaalsContact CA-O 3.27Å; R292-T298 WeakPolarHBondContact CA-O 3.36Å
293	K	87	Confident	89.6	Confident	95 Å²	95	57.7 Å²	57.7	41%	0.413	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	173.5	175.1	-60.1	171.5	177.5	169.1	0	110.6	E263 Y295 G296 T298 V300	E263-K293 IonicContact OE1-NZ 2.68Å; E263-K293 IonicContact OE2-NZ 3.79Å; E263-K293 PolarHBondContact OE2-NZ 2.86Å; K293-Y295 PolarHBondContact O-N 3.05Å; K293-G296 PolarHBondContact O-N 2.82Å; K293-T298 HydrophobicContact CB-CG2 3.88Å; K293-T298 HydrophobicContact CD-CG2 4.2Å; K293-T298 HydrophobicContact CG-CG2 4.44Å; K293-T298 PolarHBondContact N-O 2.8Å; K293-T298 PolarHBondContact O-N 2.91Å; K293-V300 HydrophobicContact CD-CG2 3.81Å; K293-V300 HydrophobicContact CG-CG2 4.16Å
294	N	86.1	Confident	89.8	Confident	63 Å²	63	55.5 Å²	55.5	34%	0.337	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	55.2	40.4	166	-60.9	-33.6	0	0	0	115.7	T187 G296 K297 T298	T187-N294 HydrophobicContact CG2-CB 3.75Å; N294-G296 VanDerWaalsContact C-N 3.3Å; N294-G296 PolarHBondContact O-N 2.88Å; N294-K297 HydrophobicContact CB-CB 4.19Å; N294-K297 WeakPolarHBondContact O-CB 3.19Å; N294-K297 WeakPolarHBondContact O-CG 3.44Å; N294-K297 PolarHBondContact O-N 2.9Å; N294-K297 PolarHBondContact O-NZ 2.96Å; N294-T298 PolarHBondContact ND2-OG1 2.82Å
295	Y	87.1	Confident	89.8	Confident	124 Å²	124	50.9 Å²	50.9	49%	0.486	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	57.8	36.9	-174.4	-54.8	-91.7	0	0	0	113.7	S182 R183 R184 K293	S182-Y295 PolarHBondContact O-OH 2.62Å; R183-Y295 PolarHBondContact N-OH 3.49Å; R184-Y295 HydrophobicContact CB-CD1 4.05Å; R184-Y295 HydrophobicContact CB-CD2 4.44Å; R184-Y295 HydrophobicContact CB-CE1 4.26Å; R184-Y295 HydrophobicContact CB-CG 4.15Å; R184-Y295 HydrophobicContact CG-CD1 4.39Å; R184-Y295 HydrophobicContact CG-CG 4.27Å; K293-Y295 PolarHBondContact O-N 3.05Å
296	G	89	Confident	89.5	Confident	12 Å²	12	57 Å²	57	12%	0.124	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	90.1	-8.9	179.2	0	0	0	0	0	114.9	W278 K293 N294 T298	W278-G296 PolarHBondContact NE1-O 3.15Å; K293-G296 PolarHBondContact O-N 2.82Å; N294-G296 VanDerWaalsContact C-N 3.3Å; N294-G296 PolarHBondContact O-N 2.88Å; G296-T298 PolarHBondContact O-N 2.9Å
297	K	92.2	Very high	89.6	Confident	11 Å²	11	59.5 Å²	59.5	5%	0.048	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.8	177.1	-62.1	-170.3	-152	75.6	0	113.6	R184 T187 T265 C266 I267 I276 N294	R184-K297 PolarHBondContact O-NZ 2.82Å; T187-K297 HydrophobicContact CG2-CD 4.29Å; T187-K297 PolarHBondContact OG1-NZ 2.63Å; T265-K297 CarbonylContact C-O 3.57Å; T265-K297 VanDerWaalsContact CA-O 3.3Å; T265-K297 WeakPolarHBondContact CA-O 3.39Å; C266-K297 PolarHBondContact N-O 2.81Å; C266-K297 WeakPolarHBondContact O-CB 3.45Å; I267-K297 HydrophobicContact CB-CD 4.48Å; I267-K297 HydrophobicContact CG1-CD 4.16Å; I267-K297 HydrophobicContact CG2-CD 4.24Å; I276-K297 HydrophobicContact CG1-CG 4.01Å; N294-K297 HydrophobicContact CB-CB 4.19Å; N294-K297 WeakPolarHBondContact O-CB 3.19Å; N294-K297 WeakPolarHBondContact O-CG 3.44Å; N294-K297 PolarHBondContact O-N 2.9Å; N294-K297 PolarHBondContact O-NZ 2.96Å
298	T	93	Very high	90.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.4	-178.3	-62.2	0	0	0	0	109.8	E263 L264 T265 R292 K293 N294 G296 V300	E263-T298 HydrophobicContact CG-CG2 3.49Å; E263-T298 VanDerWaalsContact CG-CG2 3.49Å; E263-T298 WeakPolarHBondContact OE1-CG2 3.49Å; L264-T298 CarbonylContact O-C 3.51Å; L264-T298 WeakPolarHBondContact O-CA 3.36Å; T265-T298 VanDerWaalsContact OG1-CB 3.3Å; T265-T298 WeakPolarHBondContact OG1-CB 3.43Å; T265-T298 VanDerWaalsContact OG1-CG2 3.23Å; T265-T298 WeakPolarHBondContact OG1-CG2 3.44Å; T265-T298 PolarHBondContact OG1-OG1 2.75Å; R292-T298 CarbonylContact C-O 3.54Å; R292-T298 VanDerWaalsContact CA-O 3.27Å; R292-T298 WeakPolarHBondContact CA-O 3.36Å; K293-T298 HydrophobicContact CB-CG2 3.88Å; K293-T298 HydrophobicContact CD-CG2 4.2Å; K293-T298 HydrophobicContact CG-CG2 4.44Å; K293-T298 PolarHBondContact N-O 2.8Å; K293-T298 PolarHBondContact O-N 2.91Å; N294-T298 PolarHBondContact ND2-OG1 2.82Å; G296-T298 PolarHBondContact O-N 2.9Å; T298-V300 HydrophobicContact CG2-CG2 4.18Å
299	L	94.2	Very high	90.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.3	168.9	178.7	71.6	0	0	0	108.7	L264 W278 L285 I290 Y312	L264-L299 PolarHBondContact N-O 3.07Å; L264-L299 PolarHBondContact O-N 2.85Å; W278-L299 HydrophobicContact CB-CD2 4.26Å; W278-L299 HydrophobicContact CD2-CB 3.62Å; W278-L299 HydrophobicContact CD2-CD2 3.99Å; W278-L299 HydrophobicContact CD2-CG 4.36Å; W278-L299 HydrophobicContact CE3-CB 3.93Å; W278-L299 HydrophobicContact CE3-CD2 3.76Å; W278-L299 HydrophobicContact CE3-CG 4.49Å; W278-L299 HydrophobicContact CG-CB 4.05Å; W278-L299 HydrophobicContact CG-CD2 4.23Å; W278-L299 HydrophobicContact CH2-CB 4.27Å; W278-L299 HydrophobicContact CZ2-CB 3.99Å; W278-L299 HydrophobicContact CZ3-CB 4.22Å; W278-L299 HydrophobicContact CZ3-CD2 4.4Å; L285-L299 HydrophobicContact CD2-CD2 4.11Å; I290-L299 HydrophobicContact CB-CD1 3.93Å; I290-L299 HydrophobicContact CD1-CD1 4.3Å; I290-L299 HydrophobicContact CG2-CD1 3.99Å; L299-Y312 HydrophobicContact CD2-CD1 3.85Å; L299-Y312 HydrophobicContact CD2-CE1 4.08Å
300	V	94.3	Very high	90.4	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.6	168.1	-170.5	0	0	0	0	108.4	D261 L262 E263 I290 S291 K293 T298	D261-V300 HydrophobicContact CB-CG1 4.41Å; L262-V300 CarbonylContact O-C 3.59Å; L262-V300 VanDerWaalsContact O-CA 3.25Å; L262-V300 WeakPolarHBondContact O-CA 3.31Å; E263-V300 HydrophobicContact CG-CG2 4.11Å; E263-V300 WeakPolarHBondContact OE2-CG2 3.29Å; I290-V300 CarbonylContact C-O 3.55Å; I290-V300 VanDerWaalsContact CA-O 3.22Å; I290-V300 WeakPolarHBondContact CA-O 3.29Å; S291-V300 PolarHBondContact N-O 2.91Å; S291-V300 PolarHBondContact O-N 3.41Å; K293-V300 HydrophobicContact CD-CG2 3.81Å; K293-V300 HydrophobicContact CG-CG2 4.16Å; T298-V300 HydrophobicContact CG2-CG2 4.18Å
301	V	93.6	Very high	90.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115	167.4	-173.9	0	0	0	0	107.5	D261 L262 P286 I290 V304 Y312	D261-V301 WeakPolarHBondContact CA-O 3.46Å; L262-V301 HydrophobicContact CB-CB 4.22Å; L262-V301 HydrophobicContact CD2-CB 4.38Å; L262-V301 HydrophobicContact CD2-CG2 4.04Å; L262-V301 PolarHBondContact N-O 2.98Å; L262-V301 PolarHBondContact O-N 2.98Å; P286-V301 HydrophobicContact CG-CG1 3.64Å; P286-V301 HydrophobicContact CG-CG2 4.32Å; I290-V301 HydrophobicContact CG2-CG2 4.13Å; V301-V304 HydrophobicContact CB-CG2 4.21Å; V301-V304 HydrophobicContact CG1-CG2 4.17Å; V301-V304 WeakPolarHBondContact O-CG2 3.38Å; V301-Y312 HydrophobicContact CG2-CE1 4.27Å
302	H	92.5	Very high	90.7	Very high	70 Å²	70	45.9 Å²	45.9	32%	0.324	23%	0.229	S	C	.	.	S	Bend	trans	-82.1	141.1	-178.2	-62.1	-71.9	0	0	0	111.7	D261 R289 S291	D261-H302 VanDerWaalsContact OD1-CA 3.23Å; D261-H302 WeakPolarHBondContact OD1-CA 3.36Å; D261-H302 IonicContact OD1-ND1 2.74Å; D261-H302 IonicContact OD2-CE1 3.61Å; D261-H302 IonicContact OD2-CG 3.91Å; D261-H302 IonicContact OD2-ND1 2.84Å; D261-H302 PolarHBondContact OD2-ND1 3.19Å; R289-H302 WeakPolarHBondContact CD-O 3.16Å; R289-H302 PolarHBondContact NH1-O 3.36Å; R289-H302 PolarHBondContact O-CD2 3.49Å; R289-H302 PolarHBondContact O-N 3.43Å; S291-H302 WeakPolarHBondContact CB-NE2 3.33Å; S291-H302 PolarHBondContact OG-NE2 3.27Å
303	G	89.2	Confident	91	Very high	34 Å²	34	39.5 Å²	39.5	35%	0.351	21%	0.206	S	C	.	.	S	Bend	trans	52.8	61.5	174.8	0	0	0	0	0	113.2	D261 R289	D261-G303 PolarHBondContact OD1-N 3.37Å; R289-G303 PolarHBondContact NH1-O 3.14Å; R289-G303 VanDerWaalsContact NH1-O 3.1Å
304	V	89.4	Confident	91.3	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.187	C	C	.	.			trans	-62.1	140.8	-171.1	174.2	0	0	0	0	112.2	L256 A258 G259 S260 L262 V301 D308 V328	L256-V304 HydrophobicContact CD1-CB 4Å; L256-V304 HydrophobicContact CD1-CG1 3.83Å; L256-V304 HydrophobicContact CD1-CG2 3.88Å; A258-V304 CarbonylContact C-O 3.45Å; A258-V304 VanDerWaalsContact CA-O 3.24Å; A258-V304 WeakPolarHBondContact CA-O 3.09Å; G259-V304 PolarHBondContact N-O 2.99Å; S260-V304 VanDerWaalsContact O-CB 3.26Å; S260-V304 WeakPolarHBondContact O-CB 3.24Å; S260-V304 WeakPolarHBondContact O-CG2 3.49Å; S260-V304 PolarHBondContact O-N 2.83Å; L262-V304 HydrophobicContact CB-CG2 3.59Å; V301-V304 HydrophobicContact CB-CG2 4.21Å; V301-V304 HydrophobicContact CG1-CG2 4.17Å; V301-V304 WeakPolarHBondContact O-CG2 3.38Å; V304-D308 WeakPolarHBondContact CA-OD2 3.15Å; V304-D308 HydrophobicContact CG1-CB 3.89Å; V304-V328 HydrophobicContact CG1-CB 4.5Å; V304-V328 HydrophobicContact CG1-CG1 4.08Å; V304-V328 HydrophobicContact CG1-CG2 3.54Å
305	N	88.4	Confident	91.8	Very high	62 Å²	62	33.8 Å²	33.8	33%	0.332	18%	0.18	S	C	.	.			trans	-130.2	175	175.2	67.5	72.1	0	0	0	112.2	R289 A307 D308	R289-N305 VanDerWaalsContact CZ-ND2 3.35Å; R289-N305 PolarHBondContact NH2-ND2 2.78Å; N305-A307 PolarHBondContact O-N 3.26Å; N305-A307 VanDerWaalsContact O-N 3.1Å; N305-A307 WeakPolarHBondContact OD1-CB 3.33Å; N305-A307 PolarHBondContact OD1-N 3.49Å; N305-D308 PolarHBondContact N-OD2 3.43Å; N305-D308 PolarHBondContact ND2-OD2 3.44Å; N305-D308 WeakPolarHBondContact O-CB 3.16Å; N305-D308 PolarHBondContact O-N 2.8Å
306	R	85.2	Confident	92.1	Very high	147 Å²	147	27.9 Å²	27.9	56%	0.555	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	-176.5	-102.6	-177.2	170.8	-175.7	-4.8	115.3	D308 Q309 D359	R306-D308 VanDerWaalsContact C-N 3.34Å; R306-Q309 WeakPolarHBondContact O-CB 3.15Å; R306-D359 IonicContact CZ-OD2 3.71Å; R306-D359 IonicContact NE-OD2 3.63Å; R306-D359 IonicContact NH2-OD2 2.65Å; R306-D359 PolarHBondContact NH2-OD2 2.85Å
307	A	88	Confident	92.1	Very high	76 Å²	76	31.4 Å²	31.4	63%	0.628	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.1	175.1	0	0	0	0	0	113.1	K280 N305 Q309	K280-A307 PolarHBondContact NZ-O 2.98Å; N305-A307 PolarHBondContact O-N 3.26Å; N305-A307 VanDerWaalsContact O-N 3.1Å; N305-A307 WeakPolarHBondContact OD1-CB 3.33Å; N305-A307 PolarHBondContact OD1-N 3.49Å; A307-Q309 VanDerWaalsContact C-N 3.34Å
308	D	90.2	Very high	91.9	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.027	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-23.4	174.9	-62.8	-41.7	0	0	0	112	K280 P286 R289 V304 N305 R306 G310 Y312	K280-D308 PolarHBondContact NZ-O 2.87Å; P286-D308 WeakPolarHBondContact CG-OD1 3.33Å; R289-D308 IonicContact CZ-OD1 2.74Å; R289-D308 IonicContact CZ-OD2 3.16Å; R289-D308 IonicContact NH1-OD1 2.65Å; R289-D308 IonicContact NH1-OD2 2.7Å; R289-D308 PolarHBondContact NH1-OD2 3.5Å; R289-D308 VanDerWaalsContact NH2-CG 3.27Å; R289-D308 IonicContact NH2-OD1 3.07Å; R289-D308 PolarHBondContact NH2-OD1 3.33Å; R289-D308 IonicContact NH2-OD2 3.83Å; R289-D308 PolarHBondContact NH2-OD2 2.98Å; V304-D308 WeakPolarHBondContact CA-OD2 3.15Å; V304-D308 HydrophobicContact CG1-CB 3.89Å; N305-D308 PolarHBondContact N-OD2 3.43Å; N305-D308 PolarHBondContact ND2-OD2 3.44Å; N305-D308 WeakPolarHBondContact O-CB 3.16Å; N305-D308 PolarHBondContact O-N 2.8Å; R306-D308 VanDerWaalsContact C-N 3.34Å; D308-G310 PolarHBondContact O-N 3.39Å; D308-Y312 VanDerWaalsContact O-CE2 3.29Å; D308-Y312 WeakPolarHBondContact O-CE2 3.29Å; D308-Y312 PolarHBondContact O-OH 2.84Å; D308-Y312 VanDerWaalsContact O-OH 3.09Å
309	Q	91.3	Very high	91.8	Very high	91 Å²	91	39.5 Å²	39.5	43%	0.425	23%	0.228	S	C	.	.			trans	-50.1	136	173.7	169.3	153.5	-34.7	0	0	112.6	K280 R306 A307 V326 V328	K280-Q309 WeakPolarHBondContact CE-O 3.44Å; K280-Q309 PolarHBondContact NZ-O 3.19Å; R306-Q309 WeakPolarHBondContact O-CB 3.15Å; A307-Q309 VanDerWaalsContact C-N 3.34Å; Q309-V326 WeakPolarHBondContact CA-O 3.3Å; Q309-V326 WeakPolarHBondContact CG-O 3.31Å; Q309-V328 HydrophobicContact CB-CG2 4.15Å
310	G	92.6	Very high	91.7	Very high	9 Å²	9	40.8 Å²	40.8	9%	0.093	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150	-165.6	-177.3	0	0	0	0	0	113.4	E282 D308 T325 V326	E282-G310 WeakPolarHBondContact OE2-CA 3.35Å; D308-G310 PolarHBondContact O-N 3.39Å; G310-T325 WeakPolarHBondContact O-CA 3.43Å; G310-V326 PolarHBondContact N-O 3.21Å; G310-V326 VanDerWaalsContact N-O 3.07Å; G310-V326 PolarHBondContact O-N 2.95Å
311	T	95.9	Very high	91.7	Very high	21 Å²	21	46.7 Å²	46.7	13%	0.129	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.6	-177.9	-45.2	0	0	0	0	110.1	K280 K281 E282 E323 M324	K280-T311 WeakPolarHBondContact CA-O 3.31Å; K281-T311 HydrophobicContact CD-CG2 4.08Å; K281-T311 PolarHBondContact N-O 2.85Å; E282-T311 WeakPolarHBondContact OE1-CB 3.44Å; E282-T311 PolarHBondContact OE1-N 2.8Å; E282-T311 PolarHBondContact OE1-OG1 2.76Å; E282-T311 PolarHBondContact OE2-N 3.02Å; T311-E323 HydrophobicContact CG2-CB 4.11Å; T311-M324 CarbonylContact C-O 3.49Å; T311-M324 WeakPolarHBondContact CA-O 3.48Å
312	Y	95.3	Very high	91.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.4	174.5	-72	-104.5	0	0	0	109.9	L262 L264 S279 K280 L285 L299 V301 D308 E323 M324 V326	L262-Y312 HydrophobicContact CD2-CE2 4.31Å; L264-Y312 VanDerWaalsContact CD1-CB 3.48Å; L264-Y312 HydrophobicContact CD1-CD1 4.01Å; L264-Y312 HydrophobicContact CD1-CD2 4.02Å; L264-Y312 HydrophobicContact CD1-CG 3.57Å; S279-Y312 WeakPolarHBondContact O-CA 3.13Å; K280-Y312 HydrophobicContact CD-CE2 4.4Å; L285-Y312 HydrophobicContact CD2-CD1 3.71Å; L285-Y312 HydrophobicContact CD2-CE1 3.54Å; L299-Y312 HydrophobicContact CD2-CD1 3.85Å; L299-Y312 HydrophobicContact CD2-CE1 4.08Å; V301-Y312 HydrophobicContact CG2-CE1 4.27Å; D308-Y312 VanDerWaalsContact O-CE2 3.29Å; D308-Y312 WeakPolarHBondContact O-CE2 3.29Å; D308-Y312 PolarHBondContact O-OH 2.84Å; D308-Y312 VanDerWaalsContact O-OH 3.09Å; Y312-E323 WeakPolarHBondContact O-CA 3.24Å; Y312-M324 PolarHBondContact N-O 3.35Å; Y312-M324 PolarHBondContact O-N 2.85Å; Y312-V326 HydrophobicContact CD2-CB 4.07Å; Y312-V326 HydrophobicContact CD2-CG2 3.53Å; Y312-V326 HydrophobicContact CE2-CB 3.95Å; Y312-V326 HydrophobicContact CE2-CG1 4.27Å; Y312-V326 HydrophobicContact CE2-CG2 3.75Å
313	V	95.7	Very high	91.8	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.6	178.8	-170.8	0	0	0	0	109.1	W278 S279 K281 Q321 H322 E323	W278-V313 WeakPolarHBondContact CA-O 3.42Å; S279-V313 PolarHBondContact N-O 2.82Å; S279-V313 PolarHBondContact O-N 3.3Å; K281-V313 HydrophobicContact CD-CG2 4.41Å; K281-V313 HydrophobicContact CG-CG2 3.89Å; V313-Q321 HydrophobicContact CG1-CB 4.4Å; V313-H322 WeakPolarHBondContact CA-O 3.08Å; V313-E323 HydrophobicContact CG1-CG 4.5Å; V313-E323 HydrophobicContact CG2-CG 4.23Å
314	C	95.2	Very high	92.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.5	167.9	61.4	0	0	0	0	108.9	C266 I276 Q277 W278 Q321 H322 M324	C266-C314 HydrophobicContact CB-CB 3.68Å; C266-C314 WeakPolarHBondContact CB-SG 3.36Å; C266-C314 WeakPolarHBondContact SG-CB 3.37Å; C266-C314 CovalentContact SG-SG 2.03Å; C266-C314 PolarHBondContact SG-SG 2.89Å; I276-C314 HydrophobicContact CG2-CB 4Å; Q277-C314 WeakPolarHBondContact O-CA 3.2Å; W278-C314 HydrophobicContact CD2-CB 4.05Å; W278-C314 HydrophobicContact CE3-CB 3.89Å; W278-C314 HydrophobicContact CH2-CB 3.84Å; W278-C314 HydrophobicContact CZ2-CB 3.98Å; W278-C314 HydrophobicContact CZ3-CB 3.8Å; C314-Q321 CarbonylContact O-C 3.4Å; C314-Q321 WeakPolarHBondContact O-CA 3.33Å; C314-H322 PolarHBondContact N-O 2.75Å; C314-H322 PolarHBondContact O-N 3.29Å; C314-M324 HydrophobicContact CB-CE 4.48Å
315	D	94.9	Very high	92.4	Very high	37 Å²	37	49.4 Å²	49.4	20%	0.198	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.8	179.2	175.1	73.7	0	0	0	110.6	I276 Q277 E317 G318	I276-D315 CarbonylContact C-O 3.49Å; I276-D315 WeakPolarHBondContact CA-O 3.42Å; Q277-D315 PolarHBondContact N-O 2.83Å; Q277-D315 PolarHBondContact O-N 2.85Å; D315-E317 PolarHBondContact OD2-N 2.79Å; D315-G318 WeakPolarHBondContact OD1-CA 3.45Å; D315-G318 PolarHBondContact OD1-N 2.84Å; D315-G318 PolarHBondContact OD2-N 3.46Å
316	A	94.3	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	79.1	179.2	0	0	0	0	0	110.2	V244 F268 P274 I276 G318 L319 A320	V244-A316 HydrophobicContact CG1-CB 3.97Å; F268-A316 HydrophobicContact CB-CB 4.46Å; F268-A316 HydrophobicContact CD1-CB 4.31Å; F268-A316 HydrophobicContact CD2-CB 3.93Å; F268-A316 HydrophobicContact CE2-CB 4.12Å; F268-A316 HydrophobicContact CG-CB 4.01Å; F268-A316 HydrophobicContact CZ-CB 4.43Å; P274-A316 HydrophobicContact CB-CB 4.25Å; P274-A316 HydrophobicContact CG-CB 4.24Å; I276-A316 HydrophobicContact CD1-CB 3.81Å; A316-G318 PolarHBondContact O-N 2.83Å; A316-L319 WeakPolarHBondContact O-CB 3.32Å; A316-L319 PolarHBondContact O-N 2.64Å; A316-A320 WeakPolarHBondContact CB-O 3.1Å; A316-A320 PolarHBondContact N-O 3.15Å
317	E	88.9	Confident	92.9	Very high	86 Å²	86	42.2 Å²	42.2	40%	0.402	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	34.3	177.5	-67.9	165.9	162.9	0	0	113.8	P274 L275 D315 L319	P274-E317 VanDerWaalsContact CA-OE2 3.27Å; P274-E317 WeakPolarHBondContact CA-OE2 3.26Å; P274-E317 VanDerWaalsContact CB-OE2 3.31Å; P274-E317 WeakPolarHBondContact CB-OE2 3.49Å; L275-E317 HydrophobicContact CB-CG 4.05Å; L275-E317 VanDerWaalsContact CB-OE1 3.22Å; L275-E317 WeakPolarHBondContact CB-OE1 3.44Å; L275-E317 VanDerWaalsContact CG-OE1 3.27Å; L275-E317 WeakPolarHBondContact CG-OE1 3.22Å; L275-E317 PolarHBondContact N-OE1 3.02Å; D315-E317 PolarHBondContact OD2-N 2.79Å; E317-L319 PolarHBondContact O-N 3.13Å
318	G	88.4	Confident	92.9	Very high	61 Å²	61	38.7 Å²	38.7	63%	0.629	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	1.6	-176	0	0	0	0	0	115.1	D315 A316	D315-G318 WeakPolarHBondContact OD1-CA 3.45Å; D315-G318 PolarHBondContact OD1-N 2.84Å; D315-G318 PolarHBondContact OD2-N 3.46Å; A316-G318 PolarHBondContact O-N 2.83Å
319	L	91	Very high	92.8	Very high	121 Å²	121	39.3 Å²	39.3	63%	0.634	22%	0.219	S	C	*	.	S	Bend	trans	-91.9	-25.1	-175.3	-59.6	174.4	0	0	0	113	V244 A316 E317	V244-L319 HydrophobicContact CB-CB 3.97Å; V244-L319 HydrophobicContact CB-CD1 4.47Å; V244-L319 HydrophobicContact CG1-CB 4.4Å; V244-L319 HydrophobicContact CG2-CB 3.97Å; V244-L319 HydrophobicContact CG2-CD1 3.62Å; V244-L319 HydrophobicContact CG2-CG 4.46Å; A316-L319 WeakPolarHBondContact O-CB 3.32Å; A316-L319 PolarHBondContact O-N 2.64Å; E317-L319 PolarHBondContact O-N 3.13Å
320	A	92	Very high	92.4	Very high	26 Å²	26	35.3 Å²	35.3	22%	0.215	20%	0.2	C	C	.	.			trans	-161.3	144.8	172.5	0	0	0	0	0	111.2	V244 F268 A316	V244-A320 HydrophobicContact CG1-CB 3.88Å; F268-A320 HydrophobicContact CD1-CB 3.85Å; F268-A320 HydrophobicContact CE1-CB 3.53Å; F268-A320 HydrophobicContact CZ-CB 4.43Å; A316-A320 WeakPolarHBondContact CB-O 3.1Å; A316-A320 PolarHBondContact N-O 3.15Å
321	Q	93.1	Very high	92	Very high	126 Å²	126	36.4 Å²	36.4	59%	0.589	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132	158.4	178.7	59.5	174.4	-20.6	0	0	112.8	V313 C314	V313-Q321 HydrophobicContact CG1-CB 4.4Å; C314-Q321 CarbonylContact O-C 3.4Å; C314-Q321 WeakPolarHBondContact O-CA 3.33Å
322	H	94.7	Very high	91.7	Very high	46 Å²	46	35.7 Å²	35.7	21%	0.213	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.5	169.8	-161.7	52.1	0	0	0	112.8	K246 T249 V313 C314	K246-H322 HydrophobicContact CD-CB 4.26Å; K246-H322 PolarHBondContact NZ-CE1 3.1Å; K246-H322 PolarHBondContact NZ-NE2 3.28Å; K246-H322 VanDerWaalsContact NZ-NE2 3.18Å; T249-H322 HydrophobicContact CG2-CB 4.18Å; T249-H322 PolarHBondContact OG1-CD2 2.96Å; T249-H322 PolarHBondContact OG1-NE2 2.92Å; V313-H322 WeakPolarHBondContact CA-O 3.08Å; C314-H322 PolarHBondContact N-O 2.75Å; C314-H322 PolarHBondContact O-N 3.29Å
323	E	95	Very high	91.3	Very high	70 Å²	70	39.7 Å²	39.7	33%	0.327	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.2	-172.2	-50.1	-173.2	-179.4	0	0	111.4	K281 T311 Y312 V313	K281-E323 WeakPolarHBondContact CE-OE1 3.34Å; K281-E323 IonicContact NZ-OE1 2.71Å; K281-E323 PolarHBondContact NZ-OE1 2.82Å; K281-E323 IonicContact NZ-OE2 2.85Å; K281-E323 PolarHBondContact NZ-OE2 2.99Å; T311-E323 HydrophobicContact CG2-CB 4.11Å; Y312-E323 WeakPolarHBondContact O-CA 3.24Å; V313-E323 HydrophobicContact CG1-CG 4.5Å; V313-E323 HydrophobicContact CG2-CG 4.23Å
324	M	95.1	Very high	91	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.5	-179.5	-64.5	148.4	-70.5	0	0	110.2	L264 C266 W278 T311 Y312 C314	L264-M324 HydrophobicContact CD2-CB 4.32Å; L264-M324 HydrophobicContact CD2-SD 4.11Å; C266-M324 VanDerWaalsContact SG-CE 3.58Å; W278-M324 HydrophobicContact CH2-CE 3.99Å; W278-M324 HydrophobicContact CZ3-CE 3.68Å; T311-M324 CarbonylContact C-O 3.49Å; T311-M324 WeakPolarHBondContact CA-O 3.48Å; Y312-M324 PolarHBondContact N-O 3.35Å; Y312-M324 PolarHBondContact O-N 2.85Å; C314-M324 HydrophobicContact CB-CE 4.48Å
325	T	95.7	Very high	90.6	Very high	47 Å²	47	46.8 Å²	46.8	29%	0.288	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.2	179.2	-54.2	0	0	0	0	111.1	K252 K253 T254 G310	K252-T325 PolarHBondContact O-N 2.94Å; K253-T325 WeakPolarHBondContact CA-O 3.3Å; T254-T325 PolarHBondContact N-O 3.06Å; G310-T325 WeakPolarHBondContact O-CA 3.43Å
326	V	93	Very high	90	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.3	-174.7	169.8	0	0	0	0	108.6	L256 L262 L264 Q309 G310 Y312 V328	L256-V326 HydrophobicContact CD2-CG1 4.07Å; L262-V326 HydrophobicContact CD1-CG2 4.11Å; L262-V326 HydrophobicContact CD2-CB 4.48Å; L262-V326 HydrophobicContact CD2-CG1 3.88Å; L262-V326 HydrophobicContact CD2-CG2 3.75Å; L264-V326 HydrophobicContact CD1-CG2 4.12Å; Q309-V326 WeakPolarHBondContact CA-O 3.3Å; Q309-V326 WeakPolarHBondContact CG-O 3.31Å; G310-V326 PolarHBondContact N-O 3.21Å; G310-V326 VanDerWaalsContact N-O 3.07Å; G310-V326 PolarHBondContact O-N 2.95Å; Y312-V326 HydrophobicContact CD2-CB 4.07Å; Y312-V326 HydrophobicContact CD2-CG2 3.53Å; Y312-V326 HydrophobicContact CE2-CB 3.95Å; Y312-V326 HydrophobicContact CE2-CG1 4.27Å; Y312-V326 HydrophobicContact CE2-CG2 3.75Å; V326-V328 HydrophobicContact CG1-CG2 4.3Å
327	E	91.1	Very high	89.6	Confident	58 Å²	58	52.2 Å²	52.2	27%	0.271	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.4	176.9	-74.9	172.9	-156.8	0	0	111.1	K253 T254 M255 L256	K253-E327 VanDerWaalsContact CE-CD 3.4Å; K253-E327 VanDerWaalsContact CE-OE1 3.26Å; K253-E327 WeakPolarHBondContact CE-OE1 3.28Å; K253-E327 WeakPolarHBondContact CE-OE2 3.23Å; K253-E327 IonicContact NZ-OE1 3.34Å; K253-E327 PolarHBondContact NZ-OE1 2.85Å; K253-E327 IonicContact NZ-OE2 3.77Å; K253-E327 PolarHBondContact NZ-OE2 2.83Å; T254-E327 PolarHBondContact O-N 3.18Å; M255-E327 WeakPolarHBondContact CA-O 3.47Å; L256-E327 WeakPolarHBondContact CD2-O 3.44Å; L256-E327 PolarHBondContact N-O 3.08Å; L256-E327 VanDerWaalsContact N-O 3.09Å
328	V	88.4	Confident	89.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.6	-169.6	-173.9	0	0	0	0	110.8	L256 A258 V304 Q309 V326	L256-V328 WeakPolarHBondContact O-CA 3.41Å; A258-V328 HydrophobicContact CB-CG1 3.92Å; V304-V328 HydrophobicContact CG1-CB 4.5Å; V304-V328 HydrophobicContact CG1-CG1 4.08Å; V304-V328 HydrophobicContact CG1-CG2 3.54Å; Q309-V328 HydrophobicContact CB-CG2 4.15Å; V326-V328 HydrophobicContact CG1-CG2 4.3Å
329	S	87.3	Confident	89.7	Confident	19 Å²	19	48.9 Å²	48.9	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	163.5	-177.5	-55.5	0	0	0	0	111.4	L256 A257 A258 D359	L256-S329 PolarHBondContact O-N 2.8Å; A257-S329 CarbonylContact C-O 3.15Å; A257-S329 WeakPolarHBondContact CA-O 3.4Å; A258-S329 PolarHBondContact N-O 3.45Å; S329-D359 WeakPolarHBondContact CB-O 3.37Å
330	N	83.6	Confident	89.7	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.6	-172.2	-63.7	-53.8	0	0	0	111.5	A258 Y357 D359 N411	A258-N330 WeakPolarHBondContact CB-OD1 3.33Å; N330-Y357 HydrophobicContact CB-CE2 4.27Å; N330-D359 HydrophobicContact CB-CB 4.05Å; N330-D359 PolarHBondContact N-O 2.89Å; N330-D359 CarbonylContact O-C 3.44Å; N330-D359 PolarHBondContact O-N 2.9Å; N330-D359 VanDerWaalsContact O-O 3.12Å; N330-N411 PolarHBondContact O-ND2 3.37Å
331	A	84	Confident	89.8	Confident	31 Å²	31	50.7 Å²	50.7	26%	0.256	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	161.2	159.4	0	0	0	0	0	110.2	Q333 L413	A331-Q333 PolarHBondContact O-N 2.83Å; A331-L413 HydrophobicContact CB-CB 4.07Å
332	P	89	Confident	89.8	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135.1	-176.2	-24.7	38	0	0	0	112.1	Y357 P362 N411 G414 I416	P332-Y357 CarbonylContact C-O 3.58Å; P332-Y357 WeakPolarHBondContact CA-O 3.26Å; P332-P362 HydrophobicContact CB-CB 4.05Å; P332-P362 HydrophobicContact CB-CG 3.78Å; P332-P362 HydrophobicContact CG-CB 3.93Å; P332-P362 HydrophobicContact CG-CG 3.88Å; P332-N411 WeakPolarHBondContact CD-OD1 3.48Å; P332-N411 HydrophobicContact CG-CB 4.2Å; P332-G414 VanDerWaalsContact CD-O 3.27Å; P332-G414 WeakPolarHBondContact CD-O 3.44Å; P332-G414 WeakPolarHBondContact CG-O 3.31Å; P332-I416 HydrophobicContact CB-CD1 4.1Å; P332-I416 HydrophobicContact CB-CG1 4.04Å; P332-I416 VanDerWaalsContact O-CG2 3.26Å; P332-I416 WeakPolarHBondContact O-CG2 3.43Å
333	Q	87.4	Confident	89.7	Confident	85 Å²	85	48.3 Å²	48.3	40%	0.397	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.9	177.4	-69	-174.9	18.8	0	0	110.4	A331 V356 Y357	A331-Q333 PolarHBondContact O-N 2.83Å; Q333-V356 CarbonylContact O-C 3.42Å; Q333-V356 WeakPolarHBondContact O-CA 3.47Å; Q333-Y357 HydrophobicContact CB-CD1 3.87Å; Q333-Y357 HydrophobicContact CB-CE1 3.45Å; Q333-Y357 VanDerWaalsContact CB-CE1 3.45Å; Q333-Y357 VanDerWaalsContact CD-OH 3.28Å; Q333-Y357 HydrophobicContact CG-CE1 4.27Å; Q333-Y357 PolarHBondContact N-O 3.07Å; Q333-Y357 PolarHBondContact O-N 3.48Å; Q333-Y357 PolarHBondContact OE1-OH 3.04Å
334	W	89.5	Confident	89.6	Confident	74 Å²	74	47.1 Å²	47.1	28%	0.28	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.6	177.5	-60.6	114.9	0	0	0	111.8	P338 C354 V356 I416 A418	W334-P338 HydrophobicContact CD2-CB 4.36Å; W334-P338 HydrophobicContact CH2-CB 4.12Å; W334-P338 HydrophobicContact CZ2-CB 3.9Å; W334-P338 HydrophobicContact CZ3-CB 4.41Å; W334-C354 VanDerWaalsContact CZ3-SG 3.52Å; W334-V356 HydrophobicContact CE3-CG1 3.89Å; W334-V356 HydrophobicContact CZ3-CG1 3.88Å; W334-I416 HydrophobicContact CD2-CD1 3.8Å; W334-I416 HydrophobicContact CE3-CD1 3.99Å; W334-I416 HydrophobicContact CG-CD1 4.33Å; W334-I416 HydrophobicContact CH2-CD1 4.15Å; W334-I416 HydrophobicContact CH2-CG1 4.26Å; W334-I416 HydrophobicContact CZ2-CB 4.13Å; W334-I416 HydrophobicContact CZ2-CD1 3.97Å; W334-I416 HydrophobicContact CZ2-CG1 4.09Å; W334-I416 HydrophobicContact CZ3-CD1 4.17Å; W334-A418 HydrophobicContact CH2-CB 3.76Å; W334-A418 HydrophobicContact CZ2-CB 3.74Å
335	V	86.5	Confident	89.5	Confident	81 Å²	81	49.1 Å²	49.1	49%	0.491	29%	0.286	S	S	.	.	S	Bend	trans	-88.3	-49.8	172	-177.8	0	0	0	0	110.7	R355 Y357	V335-R355 HydrophobicContact CB-CB 4.23Å; V335-R355 PolarHBondContact N-O 3.48Å; V335-Y357 HydrophobicContact CG2-CD1 4.43Å
336	N	81.9	Confident	89.3	Confident	124 Å²	124	47.2 Å²	47.2	66%	0.663	27%	0.273	S	S	*	.	S	Bend	trans	-119.3	21.1	-178.6	-72.3	10.3	0	0	0	112.7
337	G	85.6	Confident	89.2	Confident	28 Å²	28	51.5 Å²	51.5	29%	0.289	29%	0.294	S	S	.	.			trans	87.4	-178.7	-168.4	0	0	0	0	0	113.8
338	P	90.2	Very high	89.3	Confident	66 Å²	66	50.2 Å²	50.2	43%	0.429	29%	0.291	S	S	.	.	S	Bend	trans	-72.6	168.3	174.8	32.6	-36.3	0	0	0	112.4	W334 A418	W334-P338 HydrophobicContact CD2-CB 4.36Å; W334-P338 HydrophobicContact CH2-CB 4.12Å; W334-P338 HydrophobicContact CZ2-CB 3.9Å; W334-P338 HydrophobicContact CZ3-CB 4.41Å; P338-A418 HydrophobicContact CB-CB 3.75Å
339	P	90.4	Very high	89.6	Confident	11 Å²	11	54.8 Å²	54.8	7%	0.071	32%	0.315	C	S	.	.			trans	-58.3	145.4	169.3	-15.1	27	0	0	0	111.3	L352 H353 C354 W366 C407 A420	P339-L352 HydrophobicContact CB-CD2 4.46Å; P339-H353 WeakPolarHBondContact CA-O 3.37Å; P339-H353 WeakPolarHBondContact CB-O 3.25Å; P339-H353 WeakPolarHBondContact CG-O 3.25Å; P339-C354 HydrophobicContact CG-CB 4.11Å; P339-W366 HydrophobicContact CB-CH2 4.37Å; P339-W366 HydrophobicContact CG-CH2 3.89Å; P339-W366 HydrophobicContact CG-CZ3 4.18Å; P339-C407 HydrophobicContact CG-CB 4.22Å; P339-A420 HydrophobicContact CB-CB 4.01Å
340	T	91	Very high	90	Very high	98 Å²	98	54 Å²	54	60%	0.601	31%	0.31	S	S	*	.			trans	-104	154.9	-179.9	53.8	0	0	0	0	112.1	L352	T340-L352 WeakPolarHBondContact O-CD2 3.34Å
341	D	92.6	Very high	90.5	Very high	87 Å²	87	58.4 Å²	58.4	47%	0.465	33%	0.33	S	S	.	.			trans	-62.3	146.8	172.1	-53.5	-40.5	0	0	0	111.1	A420 F421	D341-A420 WeakPolarHBondContact OD1-CA 3.42Å; D341-F421 CarbonylContact C-O 3.54Å; D341-F421 VanDerWaalsContact CA-O 3.24Å; D341-F421 WeakPolarHBondContact CA-O 3.46Å; D341-F421 PolarHBondContact OD1-N 2.03Å
342	L	93.9	Very high	91	Very high	43 Å²	43	57.1 Å²	57.1	23%	0.225	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.6	-179.3	-63.6	177.7	0	0	0	111	L344 A350 L352 F421 I422 N423	L342-L344 HydrophobicContact CB-CD1 4.39Å; L342-L344 HydrophobicContact CD1-CD1 4.28Å; L342-A350 HydrophobicContact CD1-CB 4.24Å; L342-L352 HydrophobicContact CD1-CD2 3.72Å; L342-L352 HydrophobicContact CD1-CG 4.32Å; L342-L352 HydrophobicContact CG-CD2 4.09Å; L342-F421 PolarHBondContact N-O 2.64Å; L342-I422 HydrophobicContact CB-CG1 4.47Å; L342-N423 PolarHBondContact O-N 2.94Å
343	S	92.9	Very high	91.2	Very high	79 Å²	79	59.9 Å²	59.9	55%	0.552	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.3	166.9	-70.3	0	0	0	0	109.3	N423	S343-N423 WeakPolarHBondContact CA-O 3.48Å; S343-N423 PolarHBondContact OG-ND2 3.39Å
344	L	93.1	Very high	91.5	Very high	45 Å²	45	55.9 Å²	55.9	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.1	-169.4	-69.2	172.3	0	0	0	111.1	L342 A350 L396 N423 V424 F425	L342-L344 HydrophobicContact CB-CD1 4.39Å; L342-L344 HydrophobicContact CD1-CD1 4.28Å; L344-A350 HydrophobicContact CD1-CB 3.7Å; L344-L396 HydrophobicContact CB-CD1 3.78Å; L344-L396 HydrophobicContact CD1-CD1 3.98Å; L344-N423 PolarHBondContact N-O 3.19Å; L344-V424 CarbonylContact O-C 3.34Å; L344-V424 WeakPolarHBondContact O-CA 3.43Å; L344-F425 VanDerWaalsContact C-CD1 3.4Å; L344-F425 VanDerWaalsContact O-CD1 3.22Å; L344-F425 WeakPolarHBondContact O-CD1 3.39Å; L344-F425 PolarHBondContact O-N 2.91Å
345	P	91.6	Very high	91.6	Very high	42 Å²	42	57 Å²	57	27%	0.273	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	150.8	175.4	29.3	-33.3	0	0	0	110.4	S348 F425 A456	P345-S348 WeakPolarHBondContact O-CB 3.47Å; P345-S348 PolarHBondContact O-N 2.72Å; P345-S348 PolarHBondContact O-OG 3.13Å; P345-F425 WeakPolarHBondContact CA-O 3.4Å; P345-F425 HydrophobicContact CB-CD2 4.28Å; P345-F425 HydrophobicContact CB-CE2 3.72Å; P345-F425 HydrophobicContact CB-CZ 3.87Å; P345-F425 HydrophobicContact CG-CZ 4.26Å; P345-A456 HydrophobicContact CB-CB 3.85Å
346	E	92.3	Very high	91.8	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.028	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	153.7	169.7	-153.9	-169	-175.9	0	0	112.2	S348 L396 N397 H398 V424 F425 A426 P457 K506 Y507	E346-S348 PolarHBondContact O-N 2.71Å; E346-S348 VanDerWaalsContact O-N 3.07Å; E346-L396 WeakPolarHBondContact CG-O 3.33Å; E346-N397 PolarHBondContact OE1-ND2 3.48Å; E346-H398 HydrophobicContact CG-CB 4.44Å; E346-H398 PolarHBondContact OE1-N 3.31Å; E346-V424 HydrophobicContact CB-CG1 3.98Å; E346-V424 HydrophobicContact CG-CG1 4.06Å; E346-F425 PolarHBondContact N-O 2.8Å; E346-A426 HydrophobicContact CB-CB 4.45Å; E346-P457 WeakPolarHBondContact O-CB 3.3Å; E346-K506 IonicContact OE1-NZ 3.66Å; E346-K506 PolarHBondContact OE1-NZ 3.33Å; E346-K506 WeakPolarHBondContact OE2-CE 3.44Å; E346-K506 IonicContact OE2-NZ 2.64Å; E346-K506 PolarHBondContact OE2-NZ 3Å; E346-Y507 WeakPolarHBondContact OE2-CE2 3.3Å; E346-Y507 PolarHBondContact OE2-OH 3.07Å; E346-Y507 VanDerWaalsContact OE2-OH 3.06Å
347	E	91.8	Very high	92.1	Very high	91 Å²	91	52.6 Å²	52.6	43%	0.425	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	0.4	-177.6	-53.8	177.8	-177.4	0	0	115.1	N395 L396 P457 K506	E347-N395 WeakPolarHBondContact CA-OD1 3.31Å; E347-N395 WeakPolarHBondContact CB-OD1 3.36Å; E347-L396 PolarHBondContact N-O 3.42Å; E347-P457 HydrophobicContact CB-CB 3.9Å; E347-P457 HydrophobicContact CG-CB 3.86Å; E347-P457 HydrophobicContact CG-CG 4.27Å; E347-P457 WeakPolarHBondContact OE2-CB 3.48Å; E347-K506 WeakPolarHBondContact OE1-CD 3.37Å; E347-K506 WeakPolarHBondContact OE1-CE 3.37Å; E347-K506 IonicContact OE1-NZ 2.69Å; E347-K506 PolarHBondContact OE1-NZ 2.7Å
348	S	93	Very high	92.2	Very high	31 Å²	31	52.1 Å²	52.1	22%	0.217	28%	0.279	C	S	.	.	S	Bend	trans	-82.4	-176.4	164.4	76.5	0	0	0	0	112.2	P345 E346 N395 L396	P345-S348 WeakPolarHBondContact O-CB 3.47Å; P345-S348 PolarHBondContact O-N 2.72Å; P345-S348 PolarHBondContact O-OG 3.13Å; E346-S348 PolarHBondContact O-N 2.71Å; E346-S348 VanDerWaalsContact O-N 3.07Å; S348-N395 WeakPolarHBondContact O-CA 3.43Å; S348-N395 PolarHBondContact O-N 2.82Å; S348-L396 WeakPolarHBondContact O-CG 3.17Å; S348-L396 PolarHBondContact O-N 3.45Å
349	N	94.9	Very high	91.9	Very high	96 Å²	96	51.5 Å²	51.5	51%	0.513	27%	0.273	S	S	.	.			trans	-116.1	138.2	178.3	-57.7	-30.6	0	0	0	110.1	I393 L394 N395	N349-I393 CarbonylContact C-O 3.48Å; N349-I393 VanDerWaalsContact CA-O 3.24Å; N349-I393 WeakPolarHBondContact CA-O 3.47Å; N349-L394 HydrophobicContact CB-CD2 4.3Å; N349-L394 VanDerWaalsContact OD1-CA 3.29Å; N349-L394 WeakPolarHBondContact OD1-CA 3.35Å; N349-N395 PolarHBondContact OD1-N 3.34Å
350	A	94.2	Very high	91.9	Very high	2 Å²	2	54 Å²	54	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	152.6	171.1	0	0	0	0	0	111.8	L342 L344 T392 I393 L396 I422	L342-A350 HydrophobicContact CD1-CB 4.24Å; L344-A350 HydrophobicContact CD1-CB 3.7Å; A350-T392 CarbonylContact O-C 3.54Å; A350-T392 VanDerWaalsContact O-CA 3.31Å; A350-T392 WeakPolarHBondContact O-CA 3.47Å; A350-I393 HydrophobicContact CB-CB 4.38Å; A350-I393 PolarHBondContact N-O 3.45Å; A350-I393 PolarHBondContact O-N 3.25Å; A350-L396 HydrophobicContact CB-CD1 4.12Å; A350-L396 HydrophobicContact CB-CD2 3.95Å; A350-L396 HydrophobicContact CB-CG 4.4Å; A350-I422 HydrophobicContact CB-CD1 3.96Å
351	E	94.7	Very high	91.8	Very high	101 Å²	101	53.3 Å²	53.3	47%	0.472	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	114.9	172.6	-167.1	174.6	176.4	0	0	110.3	H353 T390 L391	E351-H353 IonicContact OE1-CE1 3.87Å; E351-H353 PolarHBondContact OE1-CE1 2.9Å; E351-H353 IonicContact OE1-ND1 3.81Å; E351-T390 HydrophobicContact CG-CG2 3.56Å; E351-T390 VanDerWaalsContact OE1-CG2 3.24Å; E351-T390 WeakPolarHBondContact OE1-CG2 3.47Å; E351-L391 WeakPolarHBondContact CA-O 3.5Å
352	L	94.1	Very high	91.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.1	175	-70.8	177.6	0	0	0	110.4	P339 T340 L342 W366 T390 L391 Y405 I422	P339-L352 HydrophobicContact CB-CD2 4.46Å; T340-L352 WeakPolarHBondContact O-CD2 3.34Å; L342-L352 HydrophobicContact CD1-CD2 3.72Å; L342-L352 HydrophobicContact CD1-CG 4.32Å; L342-L352 HydrophobicContact CG-CD2 4.09Å; L352-W366 HydrophobicContact CB-CH2 3.64Å; L352-W366 HydrophobicContact CB-CZ2 4.47Å; L352-W366 HydrophobicContact CB-CZ3 3.92Å; L352-W366 HydrophobicContact CD1-CZ3 4.1Å; L352-T390 WeakPolarHBondContact O-CA 3.18Å; L352-L391 PolarHBondContact N-O 3.24Å; L352-L391 PolarHBondContact O-N 3.22Å; L352-Y405 HydrophobicContact CD1-CD1 4.34Å; L352-Y405 HydrophobicContact CD1-CD2 4.34Å; L352-Y405 HydrophobicContact CD1-CG 3.86Å; L352-I422 HydrophobicContact CD1-CD1 3.91Å; L352-I422 HydrophobicContact CD1-CG1 4.23Å; L352-I422 HydrophobicContact CG-CD1 4.17Å
353	H	93.9	Very high	91.7	Very high	65 Å²	65	52.9 Å²	52.9	30%	0.301	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.9	-179.9	-66.2	-45	0	0	0	112.2	P339 E351 R355 T390	P339-H353 WeakPolarHBondContact CA-O 3.37Å; P339-H353 WeakPolarHBondContact CB-O 3.25Å; P339-H353 WeakPolarHBondContact CG-O 3.25Å; E351-H353 IonicContact OE1-CE1 3.87Å; E351-H353 PolarHBondContact OE1-CE1 2.9Å; E351-H353 IonicContact OE1-ND1 3.81Å; H353-R355 HydrophobicContact CB-CG 4.34Å; H353-R355 PolarHBondContact CD2-NH2 3.5Å; H353-R355 VanDerWaalsContact CD2-NH2 3.34Å; H353-R355 PolarHBondContact CE1-NH2 2.81Å; H353-R355 PolarHBondContact NE2-NH2 3.43Å; H353-T390 PolarHBondContact ND1-OG1 2.9Å
354	C	92.3	Very high	91.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.			trans	-123.6	68.5	172.2	-172.4	0	0	0	0	108.7	W334 P339 V364 W366 E389 C407	W334-C354 VanDerWaalsContact CZ3-SG 3.52Å; P339-C354 HydrophobicContact CG-CB 4.11Å; C354-V364 HydrophobicContact CB-CG1 4.37Å; C354-W366 HydrophobicContact CB-CH2 3.67Å; C354-W366 HydrophobicContact CB-CZ2 3.43Å; C354-W366 VanDerWaalsContact CB-CZ2 3.43Å; C354-E389 CarbonylContact C-O 3.38Å; C354-E389 PolarHBondContact N-O 2.8Å; C354-E389 WeakPolarHBondContact O-CB 3.31Å; C354-C407 HydrophobicContact CB-CB 3.66Å; C354-C407 WeakPolarHBondContact CB-SG 3.36Å; C354-C407 WeakPolarHBondContact SG-CB 3.48Å; C354-C407 CovalentContact SG-SG 2.01Å; C354-C407 PolarHBondContact SG-SG 3.35Å
355	R	92.3	Very high	91.7	Very high	99 Å²	99	52.9 Å²	52.9	37%	0.374	28%	0.277	S	S	.	.			trans	-84.7	121.2	-175.8	-61	-179.4	-163.7	-178.7	4.8	110.5	V335 H353 E389	V335-R355 HydrophobicContact CB-CB 4.23Å; V335-R355 PolarHBondContact N-O 3.48Å; H353-R355 HydrophobicContact CB-CG 4.34Å; H353-R355 PolarHBondContact CD2-NH2 3.5Å; H353-R355 VanDerWaalsContact CD2-NH2 3.34Å; H353-R355 PolarHBondContact CE1-NH2 2.81Å; H353-R355 PolarHBondContact NE2-NH2 3.43Å; R355-E389 WeakPolarHBondContact CA-OE1 3.28Å
356	V	90.8	Very high	91.8	Very high	14 Å²	14	51.2 Å²	51.2	9%	0.085	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.7	-163.4	-61.3	0	0	0	0	111.7	Q333 W334 P362 V364 E389 A409 I416	Q333-V356 CarbonylContact O-C 3.42Å; Q333-V356 WeakPolarHBondContact O-CA 3.47Å; W334-V356 HydrophobicContact CE3-CG1 3.89Å; W334-V356 HydrophobicContact CZ3-CG1 3.88Å; V356-P362 HydrophobicContact CG2-CB 4.07Å; V356-P362 HydrophobicContact CG2-CG 4.12Å; V356-V364 HydrophobicContact CG2-CG2 3.71Å; V356-E389 PolarHBondContact N-OE1 3.19Å; V356-A409 HydrophobicContact CB-CB 4.27Å; V356-A409 HydrophobicContact CG1-CB 3.92Å; V356-A409 HydrophobicContact CG2-CB 3.89Å; V356-I416 HydrophobicContact CB-CD1 4.35Å; V356-I416 HydrophobicContact CG1-CD1 3.7Å; V356-I416 HydrophobicContact CG1-CG1 4.49Å
357	Y	89.3	Confident	91.8	Very high	98 Å²	98	53 Å²	53	38%	0.384	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.8	171.3	93	-89.5	0	0	0	110.7	N330 P332 Q333 V335	N330-Y357 HydrophobicContact CB-CE2 4.27Å; P332-Y357 CarbonylContact C-O 3.58Å; P332-Y357 WeakPolarHBondContact CA-O 3.26Å; Q333-Y357 HydrophobicContact CB-CD1 3.87Å; Q333-Y357 HydrophobicContact CB-CE1 3.45Å; Q333-Y357 VanDerWaalsContact CB-CE1 3.45Å; Q333-Y357 VanDerWaalsContact CD-OH 3.28Å; Q333-Y357 HydrophobicContact CG-CE1 4.27Å; Q333-Y357 PolarHBondContact N-O 3.07Å; Q333-Y357 PolarHBondContact O-N 3.48Å; Q333-Y357 PolarHBondContact OE1-OH 3.04Å; V335-Y357 HydrophobicContact CG2-CD1 4.43Å
358	G	86.4	Confident	91.8	Very high	18 Å²	18	48.9 Å²	48.9	19%	0.186	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	163.4	179	0	0	0	0	0	109.7	P360	G358-P360 CarbonylContact C-O 3.57Å; G358-P360 CarbonylContact O-C 3.52Å
359	D	85.2	Confident	91.7	Very high	53 Å²	53	50 Å²	50	28%	0.283	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	102	-179.3	-170	5.6	0	0	0	108.8	R306 S329 N330	R306-D359 IonicContact CZ-OD2 3.71Å; R306-D359 IonicContact NE-OD2 3.63Å; R306-D359 IonicContact NH2-OD2 2.65Å; R306-D359 PolarHBondContact NH2-OD2 2.85Å; S329-D359 WeakPolarHBondContact CB-O 3.37Å; N330-D359 HydrophobicContact CB-CB 4.05Å; N330-D359 PolarHBondContact N-O 2.89Å; N330-D359 CarbonylContact O-C 3.44Å; N330-D359 PolarHBondContact O-N 2.9Å; N330-D359 VanDerWaalsContact O-O 3.12Å
360	P	89	Confident	91.4	Very high	64 Å²	64	46.4 Å²	46.4	42%	0.416	24%	0.242	S	C	.	.	S	Bend	cis	-63.9	159.9	4.1	-23	35	0	0	0	115	G358 N411	G358-P360 CarbonylContact C-O 3.57Å; G358-P360 CarbonylContact O-C 3.52Å; P360-N411 WeakPolarHBondContact O-CB 3.25Å; P360-N411 PolarHBondContact O-ND2 3.34Å
361	A	88.8	Confident	91.1	Very high	82 Å²	82	52 Å²	52	68%	0.678	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-54.4	133.1	-178.8	0	0	0	0	0	112.7
362	P	91.8	Very high	90.8	Very high	23 Å²	23	53 Å²	53	15%	0.149	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-72.6	144	-179.2	-16.5	31.3	0	0	0	113.6	P332 V356 A409 S410	P332-P362 HydrophobicContact CB-CB 4.05Å; P332-P362 HydrophobicContact CB-CG 3.78Å; P332-P362 HydrophobicContact CG-CB 3.93Å; P332-P362 HydrophobicContact CG-CG 3.88Å; V356-P362 HydrophobicContact CG2-CB 4.07Å; V356-P362 HydrophobicContact CG2-CG 4.12Å; P362-A409 HydrophobicContact CB-CB 4.25Å; P362-S410 CarbonylContact C-O 3.19Å; P362-S410 WeakPolarHBondContact CA-O 3.3Å
363	I	93.6	Very high	90.5	Very high	99 Å²	99	54.2 Å²	54.2	51%	0.508	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.9	168.4	-57	172.4	0	0	0	108.7	A409 S410	I363-A409 WeakPolarHBondContact O-CA 3.32Å; I363-S410 PolarHBondContact N-O 3.21Å; I363-S410 PolarHBondContact O-N 3.42Å; I363-S410 PolarHBondContact O-OG 2.93Å
364	V	92.9	Very high	89.9	Confident	14 Å²	14	56.3 Å²	56.3	9%	0.085	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	141.4	178.9	-172.5	0	0	0	0	111.4	C354 V356 G388 E389 C407 N408 A409	C354-V364 HydrophobicContact CB-CG1 4.37Å; V356-V364 HydrophobicContact CG2-CG2 3.71Å; V364-G388 WeakPolarHBondContact CG1-O 3.32Å; V364-E389 HydrophobicContact CG2-CG 4.05Å; V364-C407 WeakPolarHBondContact CG1-SG 3.48Å; V364-N408 CarbonylContact C-O 3.59Å; V364-N408 WeakPolarHBondContact CA-O 3.15Å; V364-A409 HydrophobicContact CG2-CB 4.03Å
365	R	92.3	Very high	89.3	Confident	110 Å²	110	60.5 Å²	60.5	42%	0.415	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138	175.3	-61.6	-176.1	-175	80.2	-0.8	110.8	Y367 N408 S410	R365-Y367 HydrophobicContact CB-CE2 4.23Å; R365-N408 PolarHBondContact N-O 3.18Å; R365-N408 PolarHBondContact O-N 2.82Å; R365-S410 PolarHBondContact NH1-OG 2.94Å
366	W	93.2	Very high	88.2	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.027	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.3	179.6	-67.4	93.1	0	0	0	113	P339 L352 C354 I373 G388 L391 Q406 C407	P339-W366 HydrophobicContact CB-CH2 4.37Å; P339-W366 HydrophobicContact CG-CH2 3.89Å; P339-W366 HydrophobicContact CG-CZ3 4.18Å; L352-W366 HydrophobicContact CB-CH2 3.64Å; L352-W366 HydrophobicContact CB-CZ2 4.47Å; L352-W366 HydrophobicContact CB-CZ3 3.92Å; L352-W366 HydrophobicContact CD1-CZ3 4.1Å; C354-W366 HydrophobicContact CB-CH2 3.67Å; C354-W366 HydrophobicContact CB-CZ2 3.43Å; C354-W366 VanDerWaalsContact CB-CZ2 3.43Å; W366-I373 HydrophobicContact CB-CB 4.38Å; W366-I373 HydrophobicContact CB-CG2 3.95Å; W366-I373 WeakPolarHBondContact O-CG2 3.25Å; W366-I373 PolarHBondContact O-N 2.86Å; W366-G388 PolarHBondContact NE1-O 3.25Å; W366-L391 HydrophobicContact CB-CD2 4.27Å; W366-L391 HydrophobicContact CD2-CB 3.8Å; W366-L391 HydrophobicContact CD2-CD2 4.03Å; W366-L391 HydrophobicContact CE3-CB 4.26Å; W366-L391 HydrophobicContact CE3-CD2 3.99Å; W366-L391 HydrophobicContact CG-CB 4.12Å; W366-L391 HydrophobicContact CG-CD2 4.17Å; W366-L391 HydrophobicContact CH2-CB 4.47Å; W366-L391 HydrophobicContact CZ2-CB 4.04Å; W366-Q406 CarbonylContact C-O 3.59Å; W366-Q406 WeakPolarHBondContact CA-O 3.19Å; W366-C407 HydrophobicContact CD2-CB 4.39Å; W366-C407 HydrophobicContact CE3-CB 4.02Å; W366-C407 HydrophobicContact CH2-CB 4.09Å; W366-C407 HydrophobicContact CZ2-CB 4.43Å; W366-C407 HydrophobicContact CZ3-CB 3.86Å
367	Y	92.4	Very high	86.9	Confident	42 Å²	42	64.5 Å²	64.5	17%	0.165	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.8	177.9	-58.9	-116	0	0	0	109.1	R365 Q371 R372 Y405 Q406 N408	R365-Y367 HydrophobicContact CB-CE2 4.23Å; Y367-Q371 CarbonylContact C-O 3.57Å; Y367-Q371 WeakPolarHBondContact CA-O 3.46Å; Y367-Q371 WeakPolarHBondContact CB-O 3.49Å; Y367-R372 HydrophobicContact CD1-CB 4.32Å; Y367-R372 HydrophobicContact CD1-CG 3.7Å; Y367-R372 HydrophobicContact CE1-CB 4.37Å; Y367-R372 HydrophobicContact CE1-CG 3.29Å; Y367-R372 HydrophobicContact CE2-CG 4.47Å; Y367-R372 HydrophobicContact CG-CG 4.44Å; Y367-Y405 WeakPolarHBondContact O-CA 3.37Å; Y367-Q406 PolarHBondContact N-O 2.74Å; Y367-Q406 PolarHBondContact O-N 3.31Å; Y367-Q406 PolarHBondContact O-OE1 2.04Å; Y367-N408 HydrophobicContact CE2-CB 3.8Å
368	I	92.3	Very high	85.9	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.7	173.5	-42.5	-178.8	0	0	0	106.9	G370 Q371 I373 F376 R382 A403 Y405	I368-G370 PolarHBondContact O-N 3.24Å; I368-G370 VanDerWaalsContact O-N 3.12Å; I368-Q371 PolarHBondContact N-O 3.34Å; I368-Q371 PolarHBondContact O-N 2.84Å; I368-I373 HydrophobicContact CD1-CD1 3.98Å; I368-I373 HydrophobicContact CD1-CG1 4.01Å; I368-I373 HydrophobicContact CG1-CD1 4.3Å; I368-I373 HydrophobicContact CG1-CG1 4.34Å; I368-F376 HydrophobicContact CB-CE2 4.27Å; I368-F376 HydrophobicContact CB-CZ 4.45Å; I368-R382 VanDerWaalsContact CD1-NH1 3.34Å; I368-A403 HydrophobicContact CG2-CB 3.74Å; I368-Y405 HydrophobicContact CB-CD1 4.43Å; I368-Y405 HydrophobicContact CB-CE1 4.38Å; I368-Y405 HydrophobicContact CD1-CD1 4.24Å; I368-Y405 HydrophobicContact CD1-CE1 3.64Å; I368-Y405 HydrophobicContact CG1-CD1 3.78Å; I368-Y405 HydrophobicContact CG1-CE1 3.69Å; I368-Y405 HydrophobicContact CG2-CD1 4.23Å; I368-Y405 HydrophobicContact CG2-CE1 3.93Å; I368-Y405 HydrophobicContact CG2-CE2 4.46Å
369	N	91.4	Very high	85.6	Confident	54 Å²	54	66.3 Å²	66.3	29%	0.289	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	41.6	-174.3	-69.9	-25.1	0	0	0	112.7	G117 V118 Q371 V404	G117-N369 WeakPolarHBondContact CA-OD1 3.3Å; V118-N369 HydrophobicContact CB-CB 4.01Å; V118-N369 HydrophobicContact CG2-CB 3.97Å; V118-N369 PolarHBondContact N-OD1 3.19Å; N369-Q371 VanDerWaalsContact C-N 3.29Å; N369-Q371 PolarHBondContact O-N 3.49Å; N369-V404 PolarHBondContact N-O 3.19Å; N369-V404 PolarHBondContact OD1-N 3.49Å; N369-V404 PolarHBondContact OD1-O 2.75Å
370	G	88.3	Confident	85.6	Confident	20 Å²	20	68.9 Å²	68.9	21%	0.206	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-4.3	179	0	0	0	0	0	116.3	M120 I368 Q406	M120-G370 WeakPolarHBondContact SD-CA 3.25Å; I368-G370 PolarHBondContact O-N 3.24Å; I368-G370 VanDerWaalsContact O-N 3.12Å; G370-Q406 VanDerWaalsContact N-OE1 3.12Å
371	Q	88.9	Confident	85.7	Confident	121 Å²	121	67.8 Å²	67.8	57%	0.565	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.7	174.3	-60	-174.5	12.8	0	0	110.3	Y367 I368 N369 I373 F376	Y367-Q371 CarbonylContact C-O 3.57Å; Y367-Q371 WeakPolarHBondContact CA-O 3.46Å; Y367-Q371 WeakPolarHBondContact CB-O 3.49Å; I368-Q371 PolarHBondContact N-O 3.34Å; I368-Q371 PolarHBondContact O-N 2.84Å; N369-Q371 VanDerWaalsContact C-N 3.29Å; N369-Q371 PolarHBondContact O-N 3.49Å; Q371-I373 PolarHBondContact O-N 2.99Å; Q371-F376 HydrophobicContact CB-CE2 3.87Å; Q371-F376 HydrophobicContact CB-CZ 3.85Å
372	R	88.8	Confident	85.8	Confident	121 Å²	121	65.8 Å²	65.8	46%	0.457	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	138.8	-179.7	-67.4	177.9	-63.2	-154.7	-0.5	110.3	Y367 T374 D375 F376	Y367-R372 HydrophobicContact CD1-CB 4.32Å; Y367-R372 HydrophobicContact CD1-CG 3.7Å; Y367-R372 HydrophobicContact CE1-CB 4.37Å; Y367-R372 HydrophobicContact CE1-CG 3.29Å; Y367-R372 HydrophobicContact CE2-CG 4.47Å; Y367-R372 HydrophobicContact CG-CG 4.44Å; R372-T374 PolarHBondContact O-N 2.67Å; R372-T374 VanDerWaalsContact O-N 3.07Å; R372-D375 HydrophobicContact CB-CB 4.42Å; R372-D375 IonicContact CZ-OD1 3.28Å; R372-D375 IonicContact CZ-OD2 3.93Å; R372-D375 VanDerWaalsContact NE-CG 3.31Å; R372-D375 IonicContact NE-OD1 3.97Å; R372-D375 PolarHBondContact NE-OD1 2.84Å; R372-D375 IonicContact NE-OD2 2.77Å; R372-D375 PolarHBondContact NE-OD2 2.89Å; R372-D375 IonicContact NH2-OD1 2.66Å; R372-D375 PolarHBondContact NH2-OD1 3Å; R372-D375 IonicContact NH2-OD2 3.17Å; R372-D375 PolarHBondContact NH2-OD2 2.95Å; R372-D375 PolarHBondContact O-N 2.79Å; R372-F376 WeakPolarHBondContact O-CD2 3.44Å
373	I	87.4	Confident	85.8	Confident	28 Å²	28	68.8 Å²	68.8	14%	0.144	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-59.1	-25.9	179.4	-162.4	158.3	0	0	0	113	W366 I368 Q371 D375 R382 L391	W366-I373 HydrophobicContact CB-CB 4.38Å; W366-I373 HydrophobicContact CB-CG2 3.95Å; W366-I373 WeakPolarHBondContact O-CG2 3.25Å; W366-I373 PolarHBondContact O-N 2.86Å; I368-I373 HydrophobicContact CD1-CD1 3.98Å; I368-I373 HydrophobicContact CD1-CG1 4.01Å; I368-I373 HydrophobicContact CG1-CD1 4.3Å; I368-I373 HydrophobicContact CG1-CG1 4.34Å; Q371-I373 PolarHBondContact O-N 2.99Å; I373-D375 VanDerWaalsContact C-N 3.33Å; I373-R382 HydrophobicContact CD1-CB 4.26Å; I373-L391 HydrophobicContact CD1-CD1 3.57Å; I373-L391 HydrophobicContact CD1-CD2 3.77Å; I373-L391 HydrophobicContact CD1-CG 4.35Å
374	T	81.3	Confident	85.6	Confident	110 Å²	110	67.3 Å²	67.3	68%	0.675	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-74.8	-15.6	177.5	51.3	0	0	0	0	115.1	R372	R372-T374 PolarHBondContact O-N 2.67Å; R372-T374 VanDerWaalsContact O-N 3.07Å
375	D	79.5	Confident	85.5	Confident	88 Å²	88	68.5 Å²	68.5	47%	0.471	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-95.3	-11.9	-171.8	-61.2	13.8	0	0	0	111.6	R372 I373	R372-D375 HydrophobicContact CB-CB 4.42Å; R372-D375 IonicContact CZ-OD1 3.28Å; R372-D375 IonicContact CZ-OD2 3.93Å; R372-D375 VanDerWaalsContact NE-CG 3.31Å; R372-D375 IonicContact NE-OD1 3.97Å; R372-D375 PolarHBondContact NE-OD1 2.84Å; R372-D375 IonicContact NE-OD2 2.77Å; R372-D375 PolarHBondContact NE-OD2 2.89Å; R372-D375 IonicContact NH2-OD1 2.66Å; R372-D375 PolarHBondContact NH2-OD1 3Å; R372-D375 IonicContact NH2-OD2 3.17Å; R372-D375 PolarHBondContact NH2-OD2 2.95Å; R372-D375 PolarHBondContact O-N 2.79Å; I373-D375 VanDerWaalsContact C-N 3.33Å
376	F	69.6	Low	85.2	Confident	78 Å²	78	69 Å²	69	34%	0.342	41%	0.406	S	S	.	.	S	Bend	trans	-74.4	156.8	166.4	-63	-89	0	0	0	110.6	I368 Q371 R372	I368-F376 HydrophobicContact CB-CE2 4.27Å; I368-F376 HydrophobicContact CB-CZ 4.45Å; Q371-F376 HydrophobicContact CB-CE2 3.87Å; Q371-F376 HydrophobicContact CB-CZ 3.85Å; R372-F376 WeakPolarHBondContact O-CD2 3.44Å
377	S	63.9	Low	84.8	Confident	118 Å²	118	71.9 Å²	71.9	83%	0.825	43%	0.427	S	S	*	.			trans	-58.2	140.7	164.8	-65.1	0	0	0	0	110	D379	S377-D379 PolarHBondContact O-N 2.82Å
378	A	66.8	Low	84.6	Confident	107 Å²	107	70.3 Å²	70.3	88%	0.884	42%	0.423	S	S	*	.			trans	-64.4	91	-166.9	0	0	0	0	0	113.3	S380	A378-S380 PolarHBondContact O-N 3.11Å
379	D	80.7	Confident	84.5	Confident	47 Å²	47	72.5 Å²	72.5	25%	0.251	43%	0.434	S	S	.	.			trans	-70.7	105.1	170.6	-178.6	-2.8	0	0	0	109.4	S377 R381 R382	S377-D379 PolarHBondContact O-N 2.82Å; D379-R381 PolarHBondContact O-N 2.61Å; D379-R381 VanDerWaalsContact OD1-CB 3.23Å; D379-R381 WeakPolarHBondContact OD1-CB 3.18Å; D379-R381 VanDerWaalsContact OD1-CG 3.27Å; D379-R381 WeakPolarHBondContact OD1-CG 3.45Å; D379-R381 IonicContact OD1-CZ 3.18Å; D379-R381 PolarHBondContact OD1-N 3.25Å; D379-R381 VanDerWaalsContact OD1-N 3.09Å; D379-R381 IonicContact OD1-NE 2.78Å; D379-R381 PolarHBondContact OD1-NE 3.16Å; D379-R381 IonicContact OD2-CZ 2.64Å; D379-R381 IonicContact OD2-NE 3.33Å; D379-R381 PolarHBondContact OD2-NE 3.03Å; D379-R381 IonicContact OD2-NH2 2.71Å; D379-R381 PolarHBondContact OD2-NH2 3.41Å; D379-R382 HydrophobicContact CB-CG 4.28Å; D379-R382 PolarHBondContact O-N 3.11Å; D379-R382 WeakPolarHBondContact OD2-CD 3.35Å; D379-R382 IonicContact OD2-CZ 3.33Å; D379-R382 IonicContact OD2-NE 3.43Å; D379-R382 PolarHBondContact OD2-NE 3.39Å
380	S	84.9	Confident	84.5	Confident	107 Å²	107	70.9 Å²	70.9	75%	0.748	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-7.9	-176.9	54.2	0	0	0	0	114.4	A378	A378-S380 PolarHBondContact O-N 3.11Å
381	R	92	Very high	84.8	Confident	41 Å²	41	70 Å²	70	16%	0.155	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-24.4	172.6	-56.4	177.3	-49.3	126.3	11.5	113.3	D379 L383 I393 L394 N395 D401	D379-R381 PolarHBondContact O-N 2.61Å; D379-R381 VanDerWaalsContact OD1-CB 3.23Å; D379-R381 WeakPolarHBondContact OD1-CB 3.18Å; D379-R381 VanDerWaalsContact OD1-CG 3.27Å; D379-R381 WeakPolarHBondContact OD1-CG 3.45Å; D379-R381 IonicContact OD1-CZ 3.18Å; D379-R381 PolarHBondContact OD1-N 3.25Å; D379-R381 VanDerWaalsContact OD1-N 3.09Å; D379-R381 IonicContact OD1-NE 2.78Å; D379-R381 PolarHBondContact OD1-NE 3.16Å; D379-R381 IonicContact OD2-CZ 2.64Å; D379-R381 IonicContact OD2-NE 3.33Å; D379-R381 PolarHBondContact OD2-NE 3.03Å; D379-R381 IonicContact OD2-NH2 2.71Å; D379-R381 PolarHBondContact OD2-NH2 3.41Å; R381-L383 PolarHBondContact O-N 3.19Å; R381-I393 WeakPolarHBondContact O-CA 3.35Å; R381-L394 HydrophobicContact CB-CB 4.29Å; R381-L394 WeakPolarHBondContact CB-O 3.42Å; R381-L394 WeakPolarHBondContact CD-O 3.48Å; R381-L394 PolarHBondContact O-N 2.91Å; R381-N395 PolarHBondContact NH1-O 3.47Å; R381-D401 IonicContact CZ-OD1 2.72Å; R381-D401 IonicContact CZ-OD2 3.64Å; R381-D401 IonicContact NH1-OD1 3.37Å; R381-D401 IonicContact NH1-OD2 3.87Å; R381-D401 PolarHBondContact NH1-OD2 3.3Å; R381-D401 IonicContact NH2-OD1 3.99Å; R381-D401 PolarHBondContact NH2-OD1 3.31Å; R381-D401 IonicContact NH2-OD2 3.97Å; R381-D401 PolarHBondContact NH2-OD2 2.79Å
382	R	90.4	Very high	85.1	Confident	41 Å²	41	65.9 Å²	65.9	16%	0.155	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	91.9	-171.9	-68.7	177.7	176.9	171.5	-2.5	109.7	I368 I373 D379 I393 I400 D401	I368-R382 VanDerWaalsContact CD1-NH1 3.34Å; I373-R382 HydrophobicContact CD1-CB 4.26Å; D379-R382 HydrophobicContact CB-CG 4.28Å; D379-R382 PolarHBondContact O-N 3.11Å; D379-R382 WeakPolarHBondContact OD2-CD 3.35Å; D379-R382 IonicContact OD2-CZ 3.33Å; D379-R382 IonicContact OD2-NE 3.43Å; D379-R382 PolarHBondContact OD2-NE 3.39Å; R382-I393 HydrophobicContact CG-CG1 4.43Å; R382-I393 HydrophobicContact CG-CG2 4.17Å; R382-I400 PolarHBondContact NH2-O 2.97Å; R382-D401 IonicContact CZ-OD1 3.9Å; R382-D401 IonicContact NE-OD1 3.43Å; R382-D401 PolarHBondContact NE-OD1 2.8Å; R382-D401 IonicContact NH2-OD1 3.31Å; R382-D401 PolarHBondContact NH2-OD1 3.17Å
383	L	90.6	Very high	85.3	Confident	85 Å²	85	60.2 Å²	60.2	45%	0.445	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123	-173.5	-56.4	-179.6	0	0	0	110.8	R381 T392 L394	R381-L383 PolarHBondContact O-N 3.19Å; L383-T392 PolarHBondContact N-O 3.44Å; L383-T392 PolarHBondContact O-N 3.44Å; L383-L394 HydrophobicContact CD1-CD1 3.76Å; L383-L394 HydrophobicContact CD1-CG 4.28Å; L383-L394 HydrophobicContact CG-CD1 4.5Å
384	V	90.1	Very high	85.6	Confident	68 Å²	68	61.8 Å²	61.8	41%	0.412	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.3	172.6	177.5	0	0	0	0	109.1	T390 L391	V384-T390 WeakPolarHBondContact CA-O 3.47Å; V384-L391 HydrophobicContact CG2-CD1 4.02Å
385	S	90.1	Very high	86.2	Confident	40 Å²	40	60.9 Å²	60.9	28%	0.28	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-64.2	160.4	-179.8	71.2	0	0	0	0	112.8	S387 G388 E389 T390	S385-S387 PolarHBondContact O-N 2.66Å; S385-S387 VanDerWaalsContact O-N 3.16Å; S385-S387 PolarHBondContact OG-OG 3.37Å; S385-G388 WeakPolarHBondContact O-CA 3.2Å; S385-G388 PolarHBondContact O-N 3.01Å; S385-G388 PolarHBondContact OG-N 3.48Å; S385-E389 PolarHBondContact OG-N 3.45Å; S385-T390 PolarHBondContact N-O 3.2Å; S385-T390 PolarHBondContact OG-N 3.25Å
386	A	86.3	Confident	86.9	Confident	120 Å²	120	56.7 Å²	56.7	99%	0.992	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.3	177	0	0	0	0	0	114.2
387	S	84.4	Confident	88	Confident	67 Å²	67	55.1 Å²	55.1	47%	0.469	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.9	170.1	65.6	0	0	0	0	113.7	S385 E389	S385-S387 PolarHBondContact O-N 2.66Å; S385-S387 VanDerWaalsContact O-N 3.16Å; S385-S387 PolarHBondContact OG-OG 3.37Å; S387-E389 WeakPolarHBondContact CB-OE2 3.44Å; S387-E389 PolarHBondContact O-N 3.37Å; S387-E389 WeakPolarHBondContact OG-CB 3.41Å; S387-E389 WeakPolarHBondContact OG-CG 3.29Å; S387-E389 PolarHBondContact OG-N 2.84Å; S387-E389 PolarHBondContact OG-OE2 2.83Å
388	G	88.6	Confident	89.2	Confident	9 Å²	9	52.9 Å²	52.9	9%	0.093	33%	0.326	C	S	.	.	S	Bend	trans	78.2	-14.6	-170.9	0	0	0	0	0	114.6	V364 W366 S385 T390	V364-G388 WeakPolarHBondContact CG1-O 3.32Å; W366-G388 PolarHBondContact NE1-O 3.25Å; S385-G388 WeakPolarHBondContact O-CA 3.2Å; S385-G388 PolarHBondContact O-N 3.01Å; S385-G388 PolarHBondContact OG-N 3.48Å; G388-T390 VanDerWaalsContact C-N 3.31Å; G388-T390 PolarHBondContact O-N 2.89Å
389	E	90.3	Very high	90.2	Very high	53 Å²	53	53.7 Å²	53.7	25%	0.248	32%	0.316	C	S	.	.			trans	-72.7	-15.1	-171.2	-63	174.2	103	0	0	115.1	C354 R355 V356 V364 S385 S387	C354-E389 CarbonylContact C-O 3.38Å; C354-E389 PolarHBondContact N-O 2.8Å; C354-E389 WeakPolarHBondContact O-CB 3.31Å; R355-E389 WeakPolarHBondContact CA-OE1 3.28Å; V356-E389 PolarHBondContact N-OE1 3.19Å; V364-E389 HydrophobicContact CG2-CG 4.05Å; S385-E389 PolarHBondContact OG-N 3.45Å; S387-E389 WeakPolarHBondContact CB-OE2 3.44Å; S387-E389 PolarHBondContact O-N 3.37Å; S387-E389 WeakPolarHBondContact OG-CB 3.41Å; S387-E389 WeakPolarHBondContact OG-CG 3.29Å; S387-E389 PolarHBondContact OG-N 2.84Å; S387-E389 PolarHBondContact OG-OE2 2.83Å
390	T	92.5	Very high	90.5	Very high	20 Å²	20	56.2 Å²	56.2	12%	0.123	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.9	179.1	-71.2	0	0	0	0	110.1	E351 L352 H353 V384 S385 G388	E351-T390 HydrophobicContact CG-CG2 3.56Å; E351-T390 VanDerWaalsContact OE1-CG2 3.24Å; E351-T390 WeakPolarHBondContact OE1-CG2 3.47Å; L352-T390 WeakPolarHBondContact O-CA 3.18Å; H353-T390 PolarHBondContact ND1-OG1 2.9Å; V384-T390 WeakPolarHBondContact CA-O 3.47Å; S385-T390 PolarHBondContact N-O 3.2Å; S385-T390 PolarHBondContact OG-N 3.25Å; G388-T390 VanDerWaalsContact C-N 3.31Å; G388-T390 PolarHBondContact O-N 2.89Å
391	L	93.7	Very high	90.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.2	167.1	168.8	58.7	0	0	0	108.9	E351 L352 W366 I373 V384 I393 Y405	E351-L391 WeakPolarHBondContact CA-O 3.5Å; L352-L391 PolarHBondContact N-O 3.24Å; L352-L391 PolarHBondContact O-N 3.22Å; W366-L391 HydrophobicContact CB-CD2 4.27Å; W366-L391 HydrophobicContact CD2-CB 3.8Å; W366-L391 HydrophobicContact CD2-CD2 4.03Å; W366-L391 HydrophobicContact CE3-CB 4.26Å; W366-L391 HydrophobicContact CE3-CD2 3.99Å; W366-L391 HydrophobicContact CG-CB 4.12Å; W366-L391 HydrophobicContact CG-CD2 4.17Å; W366-L391 HydrophobicContact CH2-CB 4.47Å; W366-L391 HydrophobicContact CZ2-CB 4.04Å; I373-L391 HydrophobicContact CD1-CD1 3.57Å; I373-L391 HydrophobicContact CD1-CD2 3.77Å; I373-L391 HydrophobicContact CD1-CG 4.35Å; V384-L391 HydrophobicContact CG2-CD1 4.02Å; L391-I393 HydrophobicContact CD1-CG1 4.37Å; L391-I393 HydrophobicContact CG-CG1 4.31Å; L391-Y405 HydrophobicContact CD2-CD1 3.78Å; L391-Y405 HydrophobicContact CD2-CE1 4.22Å
392	T	94.4	Very high	90.9	Very high	35 Å²	35	50.8 Å²	50.8	22%	0.215	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.7	172.3	-48.9	0	0	0	0	109.3	A350 L383 L394	A350-T392 CarbonylContact O-C 3.54Å; A350-T392 VanDerWaalsContact O-CA 3.31Å; A350-T392 WeakPolarHBondContact O-CA 3.47Å; L383-T392 PolarHBondContact N-O 3.44Å; L383-T392 PolarHBondContact O-N 3.44Å; T392-L394 HydrophobicContact CG2-CD2 3.96Å
393	I	94.3	Very high	91	Very high	1 Å²	1	49 Å²	49	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.4	174.5	-48.9	179.2	0	0	0	107.7	N349 A350 R381 R382 L391 L396 Y405 I422	N349-I393 CarbonylContact C-O 3.48Å; N349-I393 VanDerWaalsContact CA-O 3.24Å; N349-I393 WeakPolarHBondContact CA-O 3.47Å; A350-I393 HydrophobicContact CB-CB 4.38Å; A350-I393 PolarHBondContact N-O 3.45Å; A350-I393 PolarHBondContact O-N 3.25Å; R381-I393 WeakPolarHBondContact O-CA 3.35Å; R382-I393 HydrophobicContact CG-CG1 4.43Å; R382-I393 HydrophobicContact CG-CG2 4.17Å; L391-I393 HydrophobicContact CD1-CG1 4.37Å; L391-I393 HydrophobicContact CG-CG1 4.31Å; I393-L396 HydrophobicContact CB-CD2 4.08Å; I393-L396 HydrophobicContact CG2-CD2 3.87Å; I393-Y405 HydrophobicContact CD1-CD1 4.42Å; I393-Y405 HydrophobicContact CD1-CE1 3.47Å; I393-Y405 VanDerWaalsContact CD1-CE1 3.47Å; I393-Y405 WeakPolarHBondContact CD1-OH 3.31Å; I393-I422 HydrophobicContact CD1-CD1 3.87Å
394	L	94.2	Very high	91.1	Very high	62 Å²	62	45.1 Å²	45.1	33%	0.325	27%	0.269	S	S	.	.			trans	-87	143	-179.2	-58.5	-179.7	0	0	0	111.6	N349 R381 L383 T392	N349-L394 HydrophobicContact CB-CD2 4.3Å; N349-L394 VanDerWaalsContact OD1-CA 3.29Å; N349-L394 WeakPolarHBondContact OD1-CA 3.35Å; R381-L394 HydrophobicContact CB-CB 4.29Å; R381-L394 WeakPolarHBondContact CB-O 3.42Å; R381-L394 WeakPolarHBondContact CD-O 3.48Å; R381-L394 PolarHBondContact O-N 2.91Å; L383-L394 HydrophobicContact CD1-CD1 3.76Å; L383-L394 HydrophobicContact CD1-CG 4.28Å; L383-L394 HydrophobicContact CG-CD1 4.5Å; T392-L394 HydrophobicContact CG2-CD2 3.96Å
395	N	92.5	Very high	91.3	Very high	90 Å²	90	41.9 Å²	41.9	48%	0.481	25%	0.249	S	C	.	.	S	Bend	trans	48	66	175.3	-172.2	56.4	0	0	0	111.9	E347 S348 N349 R381	E347-N395 WeakPolarHBondContact CA-OD1 3.31Å; E347-N395 WeakPolarHBondContact CB-OD1 3.36Å; S348-N395 WeakPolarHBondContact O-CA 3.43Å; S348-N395 PolarHBondContact O-N 2.82Å; N349-N395 PolarHBondContact OD1-N 3.34Å; R381-N395 PolarHBondContact NH1-O 3.47Å
396	L	94.1	Very high	91.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	24%	0.236	C	C	.	.			trans	-50.6	140.6	-179.4	-72.2	169.2	0	0	0	111.4	L344 E346 E347 S348 A350 I393 D401 V424	L344-L396 HydrophobicContact CB-CD1 3.78Å; L344-L396 HydrophobicContact CD1-CD1 3.98Å; E346-L396 WeakPolarHBondContact CG-O 3.33Å; E347-L396 PolarHBondContact N-O 3.42Å; S348-L396 WeakPolarHBondContact O-CG 3.17Å; S348-L396 PolarHBondContact O-N 3.45Å; A350-L396 HydrophobicContact CB-CD1 4.12Å; A350-L396 HydrophobicContact CB-CD2 3.95Å; A350-L396 HydrophobicContact CB-CG 4.4Å; I393-L396 HydrophobicContact CB-CD2 4.08Å; I393-L396 HydrophobicContact CG2-CD2 3.87Å; L396-D401 HydrophobicContact CD2-CB 3.9Å; L396-V424 HydrophobicContact CB-CG1 3.95Å; L396-V424 HydrophobicContact CB-CG2 4.14Å; L396-V424 HydrophobicContact CD1-CG2 4.22Å; L396-V424 HydrophobicContact CD2-CG2 4.04Å; L396-V424 HydrophobicContact CG-CG2 4.38Å
397	N	92.3	Very high	91.8	Very high	44 Å²	44	34.3 Å²	34.3	24%	0.235	19%	0.189	C	C	.	.			trans	-117.3	136.4	170.9	169.7	-106.7	0	0	0	110.8	E346 D399 I400 D401	E346-N397 PolarHBondContact OE1-ND2 3.48Å; N397-D399 VanDerWaalsContact C-N 3.31Å; N397-D399 PolarHBondContact O-N 3.35Å; N397-D399 PolarHBondContact OD1-N 3.43Å; N397-I400 HydrophobicContact CB-CD1 4.44Å; N397-I400 HydrophobicContact CB-CG1 4.09Å; N397-I400 WeakPolarHBondContact OD1-CG1 3.41Å; N397-I400 PolarHBondContact OD1-N 3.25Å; N397-D401 PolarHBondContact N-OD2 3.37Å; N397-D401 PolarHBondContact O-N 2.92Å
398	H	89.6	Confident	92.2	Very high	71 Å²	71	32.2 Å²	32.2	33%	0.329	17%	0.172	S	C	.	.	H	α-helix	trans	-53.5	-45	-174.9	177.7	-89	0	0	0	113	E346 T402 V424 A426	E346-H398 HydrophobicContact CG-CB 4.44Å; E346-H398 PolarHBondContact OE1-N 3.31Å; H398-T402 VanDerWaalsContact O-CB 3.31Å; H398-T402 WeakPolarHBondContact O-CB 3.49Å; H398-T402 PolarHBondContact O-OG1 2.93Å; H398-V424 PolarHBondContact CD2-O 2.73Å; H398-A426 HydrophobicContact CB-CB 4.3Å
399	D	87.3	Confident	92.5	Very high	125 Å²	125	31.8 Å²	31.8	67%	0.668	17%	0.168	S	C	*	.	H	α-helix	trans	-88.4	-19.4	-165	-53	-39.3	0	0	0	114.3	N397	N397-D399 VanDerWaalsContact C-N 3.31Å; N397-D399 PolarHBondContact O-N 3.35Å; N397-D399 PolarHBondContact OD1-N 3.43Å
400	I	88.8	Confident	92.5	Very high	99 Å²	99	30.5 Å²	30.5	51%	0.508	17%	0.165	S	C	.	.	H	α-helix	trans	-123.6	-14.6	-172.8	75.6	-177.9	0	0	0	115.3	R382 N397	R382-I400 PolarHBondContact NH2-O 2.97Å; N397-I400 HydrophobicContact CB-CD1 4.44Å; N397-I400 HydrophobicContact CB-CG1 4.09Å; N397-I400 WeakPolarHBondContact OD1-CG1 3.41Å; N397-I400 PolarHBondContact OD1-N 3.25Å
401	D	92.4	Very high	92.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-105.7	-14.2	176.3	-59.6	-52.7	0	0	0	113.2	R381 R382 L396 N397 A403 Y405 V424	R381-D401 IonicContact CZ-OD1 2.72Å; R381-D401 IonicContact CZ-OD2 3.64Å; R381-D401 IonicContact NH1-OD1 3.37Å; R381-D401 IonicContact NH1-OD2 3.87Å; R381-D401 PolarHBondContact NH1-OD2 3.3Å; R381-D401 IonicContact NH2-OD1 3.99Å; R381-D401 PolarHBondContact NH2-OD1 3.31Å; R381-D401 IonicContact NH2-OD2 3.97Å; R381-D401 PolarHBondContact NH2-OD2 2.79Å; R382-D401 IonicContact CZ-OD1 3.9Å; R382-D401 IonicContact NE-OD1 3.43Å; R382-D401 PolarHBondContact NE-OD1 2.8Å; R382-D401 IonicContact NH2-OD1 3.31Å; R382-D401 PolarHBondContact NH2-OD1 3.17Å; L396-D401 HydrophobicContact CD2-CB 3.9Å; N397-D401 PolarHBondContact N-OD2 3.37Å; N397-D401 PolarHBondContact O-N 2.92Å; D401-A403 PolarHBondContact O-N 2.91Å; D401-A403 VanDerWaalsContact O-N 3.08Å; D401-Y405 WeakPolarHBondContact CA-OH 3.26Å; D401-Y405 WeakPolarHBondContact O-CE2 3.28Å; D401-Y405 PolarHBondContact O-OH 3.28Å; D401-V424 HydrophobicContact CB-CG2 4.1Å
402	T	92.1	Very high	92	Very high	35 Å²	35	35.9 Å²	35.9	22%	0.215	20%	0.199	C	C	.	.			trans	-69.5	98	168.2	-61.1	0	0	0	0	109.4	H398 F421 I422 V424	H398-T402 VanDerWaalsContact O-CB 3.31Å; H398-T402 WeakPolarHBondContact O-CB 3.49Å; H398-T402 PolarHBondContact O-OG1 2.93Å; T402-F421 HydrophobicContact CG2-CE2 4.12Å; T402-F421 HydrophobicContact CG2-CZ 3.82Å; T402-I422 VanDerWaalsContact CA-O 3.29Å; T402-I422 WeakPolarHBondContact CA-O 3.48Å; T402-V424 WeakPolarHBondContact OG1-CB 3.03Å; T402-V424 PolarHBondContact OG1-N 3.33Å; T402-V424 VanDerWaalsContact OG1-N 3.13Å
403	A	92	Very high	91.3	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	164.8	-168.8	0	0	0	0	0	112.5	I368 D401 Y405 F421 I422	I368-A403 HydrophobicContact CG2-CB 3.74Å; D401-A403 PolarHBondContact O-N 2.91Å; D401-A403 VanDerWaalsContact O-N 3.08Å; A403-Y405 HydrophobicContact CB-CD2 4.45Å; A403-Y405 HydrophobicContact CB-CE2 3.84Å; A403-Y405 VanDerWaalsContact O-CD2 3.29Å; A403-Y405 WeakPolarHBondContact O-CD2 3.29Å; A403-Y405 WeakPolarHBondContact O-CE2 3.45Å; A403-F421 VanDerWaalsContact O-CD2 3.28Å; A403-F421 WeakPolarHBondContact O-CD2 3.46Å; A403-I422 PolarHBondContact N-O 2.79Å; A403-I422 PolarHBondContact O-N 2.82Å
404	V	93.8	Very high	90.8	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115.2	168.9	-171.6	0	0	0	0	109	P31 P32 V118 A119 N369 Q406 N419 F421	P31-V404 HydrophobicContact CB-CG2 4.25Å; P32-V404 HydrophobicContact CG-CG2 4.31Å; V118-V404 WeakPolarHBondContact O-CB 3.38Å; A119-V404 HydrophobicContact CB-CG1 4.49Å; N369-V404 PolarHBondContact N-O 3.19Å; N369-V404 PolarHBondContact OD1-N 3.49Å; N369-V404 PolarHBondContact OD1-O 2.75Å; V404-Q406 PolarHBondContact O-NE2 3.45Å; V404-N419 HydrophobicContact CG1-CB 4.03Å; V404-F421 HydrophobicContact CG2-CD2 4.05Å
405	Y	94.4	Very high	90.5	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	151	174.9	-65.8	-102.4	0	0	0	109.6	L352 Y367 I368 L391 I393 D401 A403 N419 A420 I422	L352-Y405 HydrophobicContact CD1-CD1 4.34Å; L352-Y405 HydrophobicContact CD1-CD2 4.34Å; L352-Y405 HydrophobicContact CD1-CG 3.86Å; Y367-Y405 WeakPolarHBondContact O-CA 3.37Å; I368-Y405 HydrophobicContact CB-CD1 4.43Å; I368-Y405 HydrophobicContact CB-CE1 4.38Å; I368-Y405 HydrophobicContact CD1-CD1 4.24Å; I368-Y405 HydrophobicContact CD1-CE1 3.64Å; I368-Y405 HydrophobicContact CG1-CD1 3.78Å; I368-Y405 HydrophobicContact CG1-CE1 3.69Å; I368-Y405 HydrophobicContact CG2-CD1 4.23Å; I368-Y405 HydrophobicContact CG2-CE1 3.93Å; I368-Y405 HydrophobicContact CG2-CE2 4.46Å; L391-Y405 HydrophobicContact CD2-CD1 3.78Å; L391-Y405 HydrophobicContact CD2-CE1 4.22Å; I393-Y405 HydrophobicContact CD1-CD1 4.42Å; I393-Y405 HydrophobicContact CD1-CE1 3.47Å; I393-Y405 VanDerWaalsContact CD1-CE1 3.47Å; I393-Y405 WeakPolarHBondContact CD1-OH 3.31Å; D401-Y405 WeakPolarHBondContact CA-OH 3.26Å; D401-Y405 WeakPolarHBondContact O-CE2 3.28Å; D401-Y405 PolarHBondContact O-OH 3.28Å; A403-Y405 HydrophobicContact CB-CD2 4.45Å; A403-Y405 HydrophobicContact CB-CE2 3.84Å; A403-Y405 VanDerWaalsContact O-CD2 3.29Å; A403-Y405 WeakPolarHBondContact O-CD2 3.29Å; A403-Y405 WeakPolarHBondContact O-CE2 3.45Å; Y405-N419 CarbonylContact O-C 3.38Å; Y405-N419 WeakPolarHBondContact O-CA 3.49Å; Y405-A420 PolarHBondContact N-O 3.16Å; Y405-A420 PolarHBondContact O-N 3.33Å; Y405-I422 HydrophobicContact CD2-CB 4.2Å; Y405-I422 HydrophobicContact CD2-CD1 3.82Å; Y405-I422 HydrophobicContact CD2-CG1 3.72Å; Y405-I422 HydrophobicContact CE2-CB 3.83Å; Y405-I422 HydrophobicContact CE2-CD1 3.59Å; Y405-I422 HydrophobicContact CE2-CG1 3.71Å; Y405-I422 HydrophobicContact CG-CD1 4.43Å
406	Q	93.5	Very high	90.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.9	173.9	-49.9	77.1	24.7	0	0	112.3	V118 W366 Y367 G370 V404 F417 A418 N419	V118-Q406 PolarHBondContact O-NE2 2.82Å; W366-Q406 CarbonylContact C-O 3.59Å; W366-Q406 WeakPolarHBondContact CA-O 3.19Å; Y367-Q406 PolarHBondContact N-O 2.74Å; Y367-Q406 PolarHBondContact O-N 3.31Å; Y367-Q406 PolarHBondContact O-OE1 2.04Å; G370-Q406 VanDerWaalsContact N-OE1 3.12Å; V404-Q406 PolarHBondContact O-NE2 3.45Å; Q406-F417 HydrophobicContact CB-CE1 3.8Å; Q406-F417 HydrophobicContact CB-CE2 4.28Å; Q406-F417 HydrophobicContact CB-CZ 3.52Å; Q406-F417 HydrophobicContact CG-CE1 3.83Å; Q406-F417 HydrophobicContact CG-CZ 3.79Å; Q406-A418 CarbonylContact C-O 3.31Å; Q406-A418 WeakPolarHBondContact CA-O 3.49Å; Q406-A418 WeakPolarHBondContact CB-O 3.16Å; Q406-N419 HydrophobicContact CG-CB 4.31Å; Q406-N419 WeakPolarHBondContact CG-OD1 3.43Å
407	C	93.5	Very high	90.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.4	168.9	-179	0	0	0	0	110.8	P339 C354 V364 W366 F417 A418	P339-C407 HydrophobicContact CG-CB 4.22Å; C354-C407 HydrophobicContact CB-CB 3.66Å; C354-C407 WeakPolarHBondContact CB-SG 3.36Å; C354-C407 WeakPolarHBondContact SG-CB 3.48Å; C354-C407 CovalentContact SG-SG 2.01Å; C354-C407 PolarHBondContact SG-SG 3.35Å; V364-C407 WeakPolarHBondContact CG1-SG 3.48Å; W366-C407 HydrophobicContact CD2-CB 4.39Å; W366-C407 HydrophobicContact CE3-CB 4.02Å; W366-C407 HydrophobicContact CH2-CB 4.09Å; W366-C407 HydrophobicContact CZ2-CB 4.43Å; W366-C407 HydrophobicContact CZ3-CB 3.86Å; C407-F417 VanDerWaalsContact O-CA 3.28Å; C407-F417 WeakPolarHBondContact O-CA 3.4Å; C407-A418 PolarHBondContact N-O 3.31Å; C407-A418 PolarHBondContact O-N 3.25Å
408	N	92.7	Very high	90.2	Very high	22 Å²	22	33.7 Å²	33.7	12%	0.118	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	113.4	170.4	-173.6	-25.8	0	0	0	109.9	V364 R365 Y367 I416 F417	V364-N408 CarbonylContact C-O 3.59Å; V364-N408 WeakPolarHBondContact CA-O 3.15Å; R365-N408 PolarHBondContact N-O 3.18Å; R365-N408 PolarHBondContact O-N 2.82Å; Y367-N408 HydrophobicContact CE2-CB 3.8Å; N408-I416 WeakPolarHBondContact CA-O 3.35Å; N408-F417 HydrophobicContact CB-CD2 3.69Å; N408-F417 HydrophobicContact CB-CE2 4Å
409	A	93.1	Very high	90.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.2	177.6	0	0	0	0	0	111	V356 P362 I363 V364 Y415 I416	V356-A409 HydrophobicContact CB-CB 4.27Å; V356-A409 HydrophobicContact CG1-CB 3.92Å; V356-A409 HydrophobicContact CG2-CB 3.89Å; P362-A409 HydrophobicContact CB-CB 4.25Å; I363-A409 WeakPolarHBondContact O-CA 3.32Å; V364-A409 HydrophobicContact CG2-CB 4.03Å; A409-Y415 CarbonylContact O-C 3.48Å; A409-Y415 WeakPolarHBondContact O-CA 3.48Å; A409-Y415 VanDerWaalsContact O-CB 3.24Å; A409-Y415 WeakPolarHBondContact O-CB 3.39Å; A409-I416 HydrophobicContact CB-CD1 4.47Å; A409-I416 HydrophobicContact CB-CG1 3.89Å; A409-I416 PolarHBondContact N-O 3.04Å; A409-I416 PolarHBondContact O-N 3.37Å
410	S	91.6	Very high	90.6	Very high	26 Å²	26	27 Å²	27	18%	0.182	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.1	-160.8	55.7	0	0	0	0	114.5	P362 I363 R365	P362-S410 CarbonylContact C-O 3.19Å; P362-S410 WeakPolarHBondContact CA-O 3.3Å; I363-S410 PolarHBondContact N-O 3.21Å; I363-S410 PolarHBondContact O-N 3.42Å; I363-S410 PolarHBondContact O-OG 2.93Å; R365-S410 PolarHBondContact NH1-OG 2.94Å
411	N	89.2	Confident	90.8	Very high	20 Å²	20	23.1 Å²	23.1	11%	0.107	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	177.2	170.4	85.3	4	0	0	0	110.7	N330 P332 P360 L413 G414	N330-N411 PolarHBondContact O-ND2 3.37Å; P332-N411 WeakPolarHBondContact CD-OD1 3.48Å; P332-N411 HydrophobicContact CG-CB 4.2Å; P360-N411 WeakPolarHBondContact O-CB 3.25Å; P360-N411 PolarHBondContact O-ND2 3.34Å; N411-L413 PolarHBondContact O-N 3.42Å; N411-L413 VanDerWaalsContact O-N 3.07Å; N411-L413 WeakPolarHBondContact OD1-CA 3.2Å; N411-L413 WeakPolarHBondContact OD1-CB 3.17Å; N411-L413 PolarHBondContact OD1-N 3.33Å; N411-G414 PolarHBondContact N-O 2.78Å; N411-G414 PolarHBondContact O-N 3.18Å; N411-G414 VanDerWaalsContact O-N 3.17Å; N411-G414 PolarHBondContact OD1-N 2.78Å; N411-G414 PolarHBondContact OD1-O 2.88Å
412	P	86.2	Confident	90.9	Very high	114 Å²	114	23.1 Å²	23.1	74%	0.74	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-13	-177.5	-25.8	36.3	0	0	0	116.3
413	L	80.5	Confident	90.9	Very high	73 Å²	73	24.1 Å²	24.1	38%	0.382	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-12.6	179.8	-56.9	174.5	0	0	0	112.7	A331 N411	A331-L413 HydrophobicContact CB-CB 4.07Å; N411-L413 PolarHBondContact O-N 3.42Å; N411-L413 VanDerWaalsContact O-N 3.07Å; N411-L413 WeakPolarHBondContact OD1-CA 3.2Å; N411-L413 WeakPolarHBondContact OD1-CB 3.17Å; N411-L413 PolarHBondContact OD1-N 3.33Å
414	G	82.5	Confident	91	Very high	21 Å²	21	24 Å²	24	22%	0.216	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156	-169.7	178.9	0	0	0	0	0	113.2	P332 N411	P332-G414 VanDerWaalsContact CD-O 3.27Å; P332-G414 WeakPolarHBondContact CD-O 3.44Å; P332-G414 WeakPolarHBondContact CG-O 3.31Å; N411-G414 PolarHBondContact N-O 2.78Å; N411-G414 PolarHBondContact O-N 3.18Å; N411-G414 VanDerWaalsContact O-N 3.17Å; N411-G414 PolarHBondContact OD1-N 2.78Å; N411-G414 PolarHBondContact OD1-O 2.88Å
415	Y	88.9	Confident	90.8	Very high	41 Å²	41	27.5 Å²	27.5	16%	0.161	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	175.2	178.1	68	-79.7	0	0	0	110.9	R40 H122 I123 A409 F417	R40-Y415 PolarHBondContact NH1-O 2.88Å; R40-Y415 PolarHBondContact NH2-O 2.82Å; H122-Y415 HydrophobicContact CB-CE2 4Å; H122-Y415 WeakPolarHBondContact CB-OH 3.15Å; H122-Y415 PolarHBondContact CD2-OH 2.7Å; I123-Y415 WeakPolarHBondContact CA-OH 3.36Å; I123-Y415 PolarHBondContact N-OH 3.09Å; I123-Y415 PolarHBondContact O-OH 2.79Å; A409-Y415 CarbonylContact O-C 3.48Å; A409-Y415 WeakPolarHBondContact O-CA 3.48Å; A409-Y415 VanDerWaalsContact O-CB 3.24Å; A409-Y415 WeakPolarHBondContact O-CB 3.39Å; Y415-F417 HydrophobicContact CD2-CB 4.41Å; Y415-F417 HydrophobicContact CE2-CB 4.22Å
416	I	88.8	Confident	90.6	Very high	13 Å²	13	28.8 Å²	28.8	7%	0.067	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.6	163.9	53.6	-172.1	0	0	0	108.9	P332 W334 V356 N408 A409	P332-I416 HydrophobicContact CB-CD1 4.1Å; P332-I416 HydrophobicContact CB-CG1 4.04Å; P332-I416 VanDerWaalsContact O-CG2 3.26Å; P332-I416 WeakPolarHBondContact O-CG2 3.43Å; W334-I416 HydrophobicContact CD2-CD1 3.8Å; W334-I416 HydrophobicContact CE3-CD1 3.99Å; W334-I416 HydrophobicContact CG-CD1 4.33Å; W334-I416 HydrophobicContact CH2-CD1 4.15Å; W334-I416 HydrophobicContact CH2-CG1 4.26Å; W334-I416 HydrophobicContact CZ2-CB 4.13Å; W334-I416 HydrophobicContact CZ2-CD1 3.97Å; W334-I416 HydrophobicContact CZ2-CG1 4.09Å; W334-I416 HydrophobicContact CZ3-CD1 4.17Å; V356-I416 HydrophobicContact CB-CD1 4.35Å; V356-I416 HydrophobicContact CG1-CD1 3.7Å; V356-I416 HydrophobicContact CG1-CG1 4.49Å; N408-I416 WeakPolarHBondContact CA-O 3.35Å; A409-I416 HydrophobicContact CB-CD1 4.47Å; A409-I416 HydrophobicContact CB-CG1 3.89Å; A409-I416 PolarHBondContact N-O 3.04Å; A409-I416 PolarHBondContact O-N 3.37Å
417	F	90.7	Very high	90.4	Very high	28 Å²	28	31.3 Å²	31.3	12%	0.123	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.4	-176.7	-163.5	-88	0	0	0	108.9	M120 H122 Q406 C407 N408 Y415	M120-F417 HydrophobicContact CB-CE1 3.9Å; M120-F417 HydrophobicContact CB-CZ 3.97Å; M120-F417 WeakPolarHBondContact O-CE1 3.34Å; H122-F417 HydrophobicContact CB-CB 4.35Å; Q406-F417 HydrophobicContact CB-CE1 3.8Å; Q406-F417 HydrophobicContact CB-CE2 4.28Å; Q406-F417 HydrophobicContact CB-CZ 3.52Å; Q406-F417 HydrophobicContact CG-CE1 3.83Å; Q406-F417 HydrophobicContact CG-CZ 3.79Å; C407-F417 VanDerWaalsContact O-CA 3.28Å; C407-F417 WeakPolarHBondContact O-CA 3.4Å; N408-F417 HydrophobicContact CB-CD2 3.69Å; N408-F417 HydrophobicContact CB-CE2 4Å; Y415-F417 HydrophobicContact CD2-CB 4.41Å; Y415-F417 HydrophobicContact CE2-CB 4.22Å
418	A	91.7	Very high	90.2	Very high	12 Å²	12	33.4 Å²	33.4	10%	0.099	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.8	176.2	0	0	0	0	0	110.9	W334 P338 Q406 C407	W334-A418 HydrophobicContact CH2-CB 3.76Å; W334-A418 HydrophobicContact CZ2-CB 3.74Å; P338-A418 HydrophobicContact CB-CB 3.75Å; Q406-A418 CarbonylContact C-O 3.31Å; Q406-A418 WeakPolarHBondContact CA-O 3.49Å; Q406-A418 WeakPolarHBondContact CB-O 3.16Å; C407-A418 PolarHBondContact N-O 3.31Å; C407-A418 PolarHBondContact O-N 3.25Å
419	N	92.2	Very high	90.1	Very high	50 Å²	50	32.6 Å²	32.6	27%	0.267	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.4	174.4	-57.8	-98.6	0	0	0	108.5	A119 M120 V404 Y405 Q406	A119-N419 WeakPolarHBondContact CA-OD1 3.33Å; M120-N419 PolarHBondContact N-OD1 2.84Å; M120-N419 PolarHBondContact O-ND2 2.84Å; V404-N419 HydrophobicContact CG1-CB 4.03Å; Y405-N419 CarbonylContact O-C 3.38Å; Y405-N419 WeakPolarHBondContact O-CA 3.49Å; Q406-N419 HydrophobicContact CG-CB 4.31Å; Q406-N419 WeakPolarHBondContact CG-OD1 3.43Å
420	A	93.2	Very high	90	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.033	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.2	172.1	0	0	0	0	0	110.3	P339 D341 Y405	P339-A420 HydrophobicContact CB-CB 4.01Å; D341-A420 WeakPolarHBondContact OD1-CA 3.42Å; Y405-A420 PolarHBondContact N-O 3.16Å; Y405-A420 PolarHBondContact O-N 3.33Å
421	F	94.1	Very high	90	Very high	19 Å²	19	38.1 Å²	38.1	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.5	-178	-178.3	-120	0	0	0	111.7	P31 F116 D341 L342 T402 A403 V404 N423	P31-F421 HydrophobicContact CB-CB 4.21Å; P31-F421 HydrophobicContact CB-CD1 4.16Å; P31-F421 HydrophobicContact CB-CD2 3.78Å; P31-F421 HydrophobicContact CB-CE1 4.47Å; P31-F421 HydrophobicContact CB-CE2 4.17Å; P31-F421 HydrophobicContact CB-CG 3.8Å; P31-F421 HydrophobicContact CG-CB 3.95Å; P31-F421 HydrophobicContact CG-CD1 3.67Å; P31-F421 HydrophobicContact CG-CD2 4.19Å; P31-F421 HydrophobicContact CG-CE1 4.16Å; P31-F421 HydrophobicContact CG-CG 3.68Å; F116-F421 HydrophobicContact CB-CE2 3.97Å; F116-F421 HydrophobicContact CB-CZ 4.17Å; F116-F421 HydrophobicContact CD1-CE1 4.46Å; F116-F421 HydrophobicContact CD1-CE2 4.36Å; F116-F421 AromaticContact CD1-CZ 3.72Å; F116-F421 HydrophobicContact CD1-CZ 3.72Å; F116-F421 HydrophobicContact CG-CZ 4.32Å; D341-F421 CarbonylContact C-O 3.54Å; D341-F421 VanDerWaalsContact CA-O 3.24Å; D341-F421 WeakPolarHBondContact CA-O 3.46Å; D341-F421 PolarHBondContact OD1-N 2.03Å; L342-F421 PolarHBondContact N-O 2.64Å; T402-F421 HydrophobicContact CG2-CE2 4.12Å; T402-F421 HydrophobicContact CG2-CZ 3.82Å; A403-F421 VanDerWaalsContact O-CD2 3.28Å; A403-F421 WeakPolarHBondContact O-CD2 3.46Å; V404-F421 HydrophobicContact CG2-CD2 4.05Å; F421-N423 HydrophobicContact CD1-CB 4.17Å; F421-N423 HydrophobicContact CE1-CB 3.64Å; F421-N423 HydrophobicContact CZ-CB 4.32Å
422	I	94.2	Very high	89.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.9	164.7	-58.2	-177.1	0	0	0	107.8	L342 A350 L352 I393 T402 A403 Y405 V424	L342-I422 HydrophobicContact CB-CG1 4.47Å; A350-I422 HydrophobicContact CB-CD1 3.96Å; L352-I422 HydrophobicContact CD1-CD1 3.91Å; L352-I422 HydrophobicContact CD1-CG1 4.23Å; L352-I422 HydrophobicContact CG-CD1 4.17Å; I393-I422 HydrophobicContact CD1-CD1 3.87Å; T402-I422 VanDerWaalsContact CA-O 3.29Å; T402-I422 WeakPolarHBondContact CA-O 3.48Å; A403-I422 PolarHBondContact N-O 2.79Å; A403-I422 PolarHBondContact O-N 2.82Å; Y405-I422 HydrophobicContact CD2-CB 4.2Å; Y405-I422 HydrophobicContact CD2-CD1 3.82Å; Y405-I422 HydrophobicContact CD2-CG1 3.72Å; Y405-I422 HydrophobicContact CE2-CB 3.83Å; Y405-I422 HydrophobicContact CE2-CD1 3.59Å; Y405-I422 HydrophobicContact CE2-CG1 3.71Å; Y405-I422 HydrophobicContact CG-CD1 4.43Å; I422-V424 HydrophobicContact CG2-CG2 3.95Å
423	N	93.1	Very high	89.6	Confident	56 Å²	56	38.5 Å²	38.5	30%	0.299	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	108.7	173	-178.6	31	0	0	0	108.9	L342 S343 L344 F421	L342-N423 PolarHBondContact O-N 2.94Å; S343-N423 WeakPolarHBondContact CA-O 3.48Å; S343-N423 PolarHBondContact OG-ND2 3.39Å; L344-N423 PolarHBondContact N-O 3.19Å; F421-N423 HydrophobicContact CD1-CB 4.17Å; F421-N423 HydrophobicContact CE1-CB 3.64Å; F421-N423 HydrophobicContact CZ-CB 4.32Å
424	V	93	Very high	89.9	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.4	176.9	-173.8	0	0	0	0	108.5	L344 E346 L396 H398 D401 T402 I422	L344-V424 CarbonylContact O-C 3.34Å; L344-V424 WeakPolarHBondContact O-CA 3.43Å; E346-V424 HydrophobicContact CB-CG1 3.98Å; E346-V424 HydrophobicContact CG-CG1 4.06Å; L396-V424 HydrophobicContact CB-CG1 3.95Å; L396-V424 HydrophobicContact CB-CG2 4.14Å; L396-V424 HydrophobicContact CD1-CG2 4.22Å; L396-V424 HydrophobicContact CD2-CG2 4.04Å; L396-V424 HydrophobicContact CG-CG2 4.38Å; H398-V424 PolarHBondContact CD2-O 2.73Å; D401-V424 HydrophobicContact CB-CG2 4.1Å; T402-V424 WeakPolarHBondContact OG1-CB 3.03Å; T402-V424 PolarHBondContact OG1-N 3.33Å; T402-V424 VanDerWaalsContact OG1-N 3.13Å; I422-V424 HydrophobicContact CG2-CG2 3.95Å
425	F	89.8	Confident	90	Very high	76 Å²	76	44.7 Å²	44.7	33%	0.333	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.3	-177.3	63.4	-98.2	0	0	0	113.1	L344 P345 E346 H427 A456	L344-F425 VanDerWaalsContact C-CD1 3.4Å; L344-F425 VanDerWaalsContact O-CD1 3.22Å; L344-F425 WeakPolarHBondContact O-CD1 3.39Å; L344-F425 PolarHBondContact O-N 2.91Å; P345-F425 WeakPolarHBondContact CA-O 3.4Å; P345-F425 HydrophobicContact CB-CD2 4.28Å; P345-F425 HydrophobicContact CB-CE2 3.72Å; P345-F425 HydrophobicContact CB-CZ 3.87Å; P345-F425 HydrophobicContact CG-CZ 4.26Å; E346-F425 PolarHBondContact N-O 2.8Å; F425-H427 AromaticContact CD2-CE1 3.97Å; F425-A456 HydrophobicContact CD2-CB 3.59Å; F425-A456 HydrophobicContact CE2-CB 3.76Å; F425-A456 WeakPolarHBondContact O-CB 3.39Å
426	A	89.7	Confident	90.1	Very high	28 Å²	28	46.8 Å²	46.8	23%	0.231	25%	0.249	C	C	.	.			trans	-144.6	135.7	-175.9	0	0	0	0	0	111	E346 H398 A456 Y507	E346-A426 HydrophobicContact CB-CB 4.45Å; H398-A426 HydrophobicContact CB-CB 4.3Å; A426-A456 CarbonylContact C-O 3.17Å; A426-A456 WeakPolarHBondContact CA-O 3.3Å; A426-Y507 HydrophobicContact CB-CD2 4.37Å; A426-Y507 HydrophobicContact CB-CE2 3.62Å
427	H	88.9	Confident	90.2	Very high	54 Å²	54	48.7 Å²	48.7	25%	0.25	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	155	178.8	53.8	-104	0	0	0	112.7	F425 A455 A456 N505	F425-H427 AromaticContact CD2-CE1 3.97Å; H427-A455 WeakPolarHBondContact NE2-CA 3.23Å; H427-A456 PolarHBondContact N-O 2.81Å; H427-A456 PolarHBondContact NE2-N 2.94Å; H427-A456 PolarHBondContact O-N 2.91Å; H427-N505 PolarHBondContact O-ND2 3.37Å
428	A	90.2	Very high	90.2	Very high	44 Å²	44	51.3 Å²	51.3	36%	0.364	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	157.6	173.4	0	0	0	0	0	112.4	R430	A428-R430 PolarHBondContact O-N 2.69Å
429	P	91.3	Very high	90.3	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	131.7	-172	-19.8	33.5	0	0	0	114.1	V453 E454 A455 A459 V503 N505 G508 N510	P429-V453 HydrophobicContact CB-CG2 4.01Å; P429-E454 WeakPolarHBondContact CA-O 3.44Å; P429-A455 HydrophobicContact CB-CB 4.04Å; P429-A455 HydrophobicContact CG-CB 4.12Å; P429-A459 HydrophobicContact CG-CB 4.03Å; P429-V503 HydrophobicContact CB-CB 4.23Å; P429-V503 HydrophobicContact CB-CG1 3.67Å; P429-V503 HydrophobicContact CG-CG1 3.97Å; P429-N505 HydrophobicContact CG-CB 4.37Å; P429-G508 WeakPolarHBondContact CD-O 3.41Å; P429-N510 HydrophobicContact CB-CB 4.44Å; P429-N510 WeakPolarHBondContact O-CB 3.26Å; P429-N510 PolarHBondContact O-ND2 2.96Å; P429-N510 VanDerWaalsContact O-ND2 3.07Å
430	R	90.9	Very high	90.3	Very high	120 Å²	120	51.6 Å²	51.6	45%	0.453	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.2	176.1	71	-175.5	-167.6	91.6	-4.1	111.4	A428 V453 E454	A428-R430 PolarHBondContact O-N 2.69Å; R430-V453 WeakPolarHBondContact O-CA 3.47Å; R430-V453 WeakPolarHBondContact O-CG2 3.48Å; R430-E454 HydrophobicContact CG-CB 3.99Å; R430-E454 IonicContact CZ-OE1 3.58Å; R430-E454 IonicContact CZ-OE2 2.78Å; R430-E454 PolarHBondContact N-O 3.37Å; R430-E454 IonicContact NE-OE1 3.53Å; R430-E454 PolarHBondContact NE-OE1 2.7Å; R430-E454 IonicContact NE-OE2 3.03Å; R430-E454 IonicContact NH2-OE1 2.8Å; R430-E454 PolarHBondContact NH2-OE1 2.82Å; R430-E454 IonicContact NH2-OE2 3.27Å; R430-E454 PolarHBondContact NH2-OE2 2.89Å; R430-E454 PolarHBondContact O-N 3.45Å
431	F	90	Very high	90.3	Very high	22 Å²	22	52 Å²	52	10%	0.096	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	151	174.6	-63.1	-74.5	0	0	0	111.4	T433 E435 V453 V503 N510 A512	F431-T433 WeakPolarHBondContact CB-O 3.06Å; F431-E435 HydrophobicContact CD2-CG 4.43Å; F431-V453 HydrophobicContact CD1-CB 3.96Å; F431-V453 HydrophobicContact CD1-CG2 4.03Å; F431-V453 HydrophobicContact CE1-CB 4.05Å; F431-V453 HydrophobicContact CE1-CG2 4Å; F431-V503 HydrophobicContact CE1-CG2 3.77Å; F431-V503 HydrophobicContact CZ-CB 4.35Å; F431-V503 HydrophobicContact CZ-CG2 3.77Å; F431-N510 HydrophobicContact CE2-CB 3.98Å; F431-A512 HydrophobicContact CD1-CB 3.84Å; F431-A512 HydrophobicContact CD2-CB 4.01Å; F431-A512 HydrophobicContact CE1-CB 3.59Å; F431-A512 HydrophobicContact CE2-CB 3.77Å; F431-A512 HydrophobicContact CG-CB 4.05Å; F431-A512 HydrophobicContact CZ-CB 3.56Å
432	L	86	Confident	90.2	Very high	99 Å²	99	51.4 Å²	51.4	52%	0.518	28%	0.28	S	S	.	.	S	Bend	trans	-100.7	-0.4	175.7	-58.3	179.1	0	0	0	112.4	N452 E454	L432-N452 HydrophobicContact CB-CB 4.23Å; L432-N452 PolarHBondContact N-O 3.36Å; L432-E454 HydrophobicContact CD2-CB 4.24Å
433	T	82.7	Confident	90.1	Very high	42 Å²	42	53.5 Å²	53.5	26%	0.258	29%	0.293	S	S	.	.	S	Bend	trans	-134.9	166.8	176.2	49.9	0	0	0	0	108.6	F431 D450 R514	F431-T433 WeakPolarHBondContact CB-O 3.06Å; T433-D450 WeakPolarHBondContact CB-OD2 3.26Å; T433-D450 PolarHBondContact OG1-OD2 2.96Å; T433-R514 PolarHBondContact OG1-NH2 2.96Å
434	D	86.4	Confident	89.9	Confident	106 Å²	106	52.6 Å²	52.6	57%	0.567	30%	0.297	S	S	*	.			trans	-59.3	144.2	-172.8	-46.3	-74.8	0	0	0	112.6	S436 Q437 R514	D434-S436 PolarHBondContact O-N 3.06Å; D434-Q437 HydrophobicContact CB-CG 3.91Å; D434-Q437 PolarHBondContact OD2-NE2 2.78Å; D434-R514 PolarHBondContact O-NH1 3.37Å; D434-R514 PolarHBondContact O-NH2 2.91Å
435	E	84.4	Confident	89.8	Confident	119 Å²	119	54.3 Å²	54.3	56%	0.556	31%	0.309	S	S	*	.	S	Bend	trans	-65.2	-11.1	179	-60.7	-174	157.5	0	0	113.2	F431 K513	F431-E435 HydrophobicContact CD2-CG 4.43Å; E435-K513 PolarHBondContact O-N 3.12Å
436	S	90.6	Very high	90	Very high	85 Å²	85	55.5 Å²	55.5	59%	0.594	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.6	114.2	176.7	176.7	0	0	0	0	111.6	D434 K513	D434-S436 PolarHBondContact O-N 3.06Å; S436-K513 WeakPolarHBondContact CA-O 3.44Å
437	Q	90.9	Very high	90.1	Very high	53 Å²	53	55 Å²	55	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.2	177	-63.9	-170.1	-15.6	0	0	112.3	D434 D450 K513 R514 K515	D434-Q437 HydrophobicContact CB-CG 3.91Å; D434-Q437 PolarHBondContact OD2-NE2 2.78Å; Q437-D450 PolarHBondContact OE1-OD1 2.83Å; Q437-K513 PolarHBondContact N-O 3.02Å; Q437-R514 WeakPolarHBondContact O-CA 3.29Å; Q437-K515 PolarHBondContact O-N 2.94Å
438	T	91.5	Very high	90.3	Very high	83 Å²	83	55.6 Å²	55.6	51%	0.509	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.5	176.9	-59.7	0	0	0	0	110	K515 E517	T438-K515 CarbonylContact C-O 3.5Å; T438-K515 WeakPolarHBondContact CA-O 3.44Å; T438-K515 HydrophobicContact CG2-CB 4.27Å; T438-K515 HydrophobicContact CG2-CD 4.01Å; T438-K515 HydrophobicContact CG2-CG 4.4Å; T438-E517 HydrophobicContact CG2-CG 4.01Å
439	I	92.5	Very high	90.5	Very high	34 Å²	34	53.5 Å²	53.5	17%	0.174	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.8	-172.3	-64.9	167.8	0	0	0	108.5	V447 L449 K515 L516 E517	I439-V447 HydrophobicContact CG2-CG2 3.62Å; I439-L449 HydrophobicContact CB-CD2 4.33Å; I439-L449 HydrophobicContact CD1-CD2 3.66Å; I439-L449 HydrophobicContact CG2-CD2 4.32Å; I439-K515 PolarHBondContact N-O 2.62Å; I439-L516 HydrophobicContact CG2-CD1 4.44Å; I439-E517 PolarHBondContact O-N 2.9Å
440	A	91.9	Very high	90.5	Very high	33 Å²	33	54.4 Å²	54.4	27%	0.273	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.8	-172.5	0	0	0	0	0	111.8	E517 Y519 K602	A440-E517 WeakPolarHBondContact CA-O 3.3Å; A440-Y519 HydrophobicContact CB-CD2 4.36Å; A440-Y519 HydrophobicContact CB-CE2 3.6Å; A440-K602 HydrophobicContact CB-CD 4.44Å
441	T	93.3	Very high	90.5	Very high	13 Å²	13	48.7 Å²	48.7	8%	0.08	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	164.7	-178.8	-163.9	0	0	0	0	112.7	S445 V447 V491 L516 E517 V518 Y519	T441-S445 VanDerWaalsContact OG1-CB 3.28Å; T441-S445 WeakPolarHBondContact OG1-CB 3.24Å; T441-V447 HydrophobicContact CG2-CB 4.37Å; T441-V447 HydrophobicContact CG2-CG1 4.41Å; T441-V491 HydrophobicContact CG2-CB 4.37Å; T441-V491 HydrophobicContact CG2-CG1 4.05Å; T441-V491 HydrophobicContact CG2-CG2 4.45Å; T441-L516 HydrophobicContact CG2-CD1 4.19Å; T441-E517 PolarHBondContact N-O 2.95Å; T441-V518 WeakPolarHBondContact O-CA 3.39Å; T441-Y519 WeakPolarHBondContact O-CD2 3.37Å; T441-Y519 PolarHBondContact O-N 2.85Å
442	V	92.1	Very high	90.4	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	148.7	174.4	-61.8	0	0	0	0	113	G444 S445 Y519 V603	V442-G444 PolarHBondContact O-N 2.84Å; V442-S445 VanDerWaalsContact CG2-OG 3.24Å; V442-S445 WeakPolarHBondContact CG2-OG 3.21Å; V442-S445 WeakPolarHBondContact O-CB 3.5Å; V442-S445 PolarHBondContact O-N 3.26Å; V442-S445 PolarHBondContact O-OG 2.65Å; V442-Y519 CarbonylContact C-O 3.43Å; V442-Y519 WeakPolarHBondContact CA-O 3.14Å; V442-V603 HydrophobicContact CG1-CB 3.99Å; V442-V603 HydrophobicContact CG1-CG2 3.47Å; V442-V603 VanDerWaalsContact CG1-CG2 3.47Å
443	V	92.9	Very high	90.5	Very high	44 Å²	44	47.2 Å²	47.2	27%	0.267	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	129.8	177.5	174.6	0	0	0	0	111.4	V491 M493 V518 Y519 H521	V443-V491 CarbonylContact C-O 3.57Å; V443-V491 WeakPolarHBondContact CA-O 3.43Å; V443-M493 HydrophobicContact CG2-CG 3.66Å; V443-M493 HydrophobicContact CG2-SD 3.59Å; V443-M493 VanDerWaalsContact CG2-SD 3.59Å; V443-V518 HydrophobicContact CG2-CG1 3.69Å; V443-Y519 PolarHBondContact N-O 3.02Å; V443-H521 PolarHBondContact O-CE1 3.11Å; V443-H521 PolarHBondContact O-ND1 3.1Å
444	G	89.5	Confident	90.8	Very high	38 Å²	38	48.8 Å²	48.8	39%	0.392	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-0.3	-177.6	0	0	0	0	0	115	V442 V491	V442-G444 PolarHBondContact O-N 2.84Å; G444-V491 PolarHBondContact N-O 2.9Å
445	S	91.2	Very high	90.8	Very high	35 Å²	35	44.9 Å²	44.9	25%	0.245	27%	0.265	C	S	.	.			trans	-82.6	161.6	169.6	-50.8	0	0	0	0	111.7	T441 V442 N490 V491	T441-S445 VanDerWaalsContact OG1-CB 3.28Å; T441-S445 WeakPolarHBondContact OG1-CB 3.24Å; V442-S445 VanDerWaalsContact CG2-OG 3.24Å; V442-S445 WeakPolarHBondContact CG2-OG 3.21Å; V442-S445 WeakPolarHBondContact O-CB 3.5Å; V442-S445 PolarHBondContact O-N 3.26Å; V442-S445 PolarHBondContact O-OG 2.65Å; S445-N490 PolarHBondContact O-N 2.97Å; S445-V491 WeakPolarHBondContact O-CB 3.2Å; S445-V491 VanDerWaalsContact O-CG2 3.29Å; S445-V491 WeakPolarHBondContact O-CG2 3.49Å; S445-V491 PolarHBondContact O-N 3.19Å
446	D	92.9	Very high	90.9	Very high	101 Å²	101	39.2 Å²	39.2	54%	0.54	24%	0.239	S	C	.	.			trans	-94.7	149.9	164.5	-59.5	-23.3	0	0	0	109.8	L488 L489 N490	D446-L488 WeakPolarHBondContact CA-O 3.34Å; D446-L489 HydrophobicContact CB-CD2 4.09Å; D446-L489 VanDerWaalsContact OD1-CA 3.24Å; D446-L489 WeakPolarHBondContact OD1-CA 3.47Å; D446-N490 PolarHBondContact OD1-N 3.33Å
447	V	92.7	Very high	90.8	Very high	19 Å²	19	35.4 Å²	35.4	12%	0.115	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	144.4	-179.8	70.9	0	0	0	0	112.6	I439 T441 R487 L488 V491 L516	I439-V447 HydrophobicContact CG2-CG2 3.62Å; T441-V447 HydrophobicContact CG2-CB 4.37Å; T441-V447 HydrophobicContact CG2-CG1 4.41Å; V447-R487 CarbonylContact O-C 3.52Å; V447-R487 WeakPolarHBondContact O-CA 3.35Å; V447-L488 HydrophobicContact CG1-CB 4.02Å; V447-L488 HydrophobicContact CG1-CD1 4.35Å; V447-L488 PolarHBondContact N-O 3.1Å; V447-L488 PolarHBondContact O-N 3.03Å; V447-V491 HydrophobicContact CG1-CG2 3.71Å; V447-L516 HydrophobicContact CG1-CD1 4.16Å; V447-L516 HydrophobicContact CG1-CD2 4.48Å
448	D	93.2	Very high	90.6	Very high	66 Å²	66	40.8 Å²	40.8	35%	0.353	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.5	175.1	-70.8	-18.4	0	0	0	110.9	R487	D448-R487 WeakPolarHBondContact OD1-CB 3.34Å; D448-R487 VanDerWaalsContact OD1-CG 3.31Å; D448-R487 WeakPolarHBondContact OD1-CG 3.47Å; D448-R487 IonicContact OD1-CZ 3.15Å; D448-R487 IonicContact OD1-NE 3.81Å; D448-R487 PolarHBondContact OD1-NE 3.37Å; D448-R487 IonicContact OD1-NH2 3.72Å; D448-R487 PolarHBondContact OD1-NH2 2.78Å; D448-R487 IonicContact OD2-CZ 3.14Å; D448-R487 IonicContact OD2-NE 3.53Å; D448-R487 IonicContact OD2-NH2 2.76Å; D448-R487 PolarHBondContact OD2-NH2 2.63Å
449	L	93.2	Very high	90.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.1	169.4	-47	-177.8	0	0	0	108.3	I439 W463 S485 L486 L488 Y499 R514 L516	I439-L449 HydrophobicContact CB-CD2 4.33Å; I439-L449 HydrophobicContact CD1-CD2 3.66Å; I439-L449 HydrophobicContact CG2-CD2 4.32Å; L449-W463 HydrophobicContact CB-CH2 3.78Å; L449-W463 HydrophobicContact CB-CZ2 4.45Å; L449-W463 HydrophobicContact CB-CZ3 4.28Å; L449-S485 CarbonylContact O-C 3.51Å; L449-S485 WeakPolarHBondContact O-CA 3.22Å; L449-S485 VanDerWaalsContact O-CB 3.22Å; L449-S485 WeakPolarHBondContact O-CB 3.27Å; L449-L486 HydrophobicContact CB-CB 4.47Å; L449-L486 HydrophobicContact CD1-CD2 4.44Å; L449-L486 PolarHBondContact N-O 2.83Å; L449-L486 PolarHBondContact O-N 2.87Å; L449-L488 HydrophobicContact CD1-CD1 3.82Å; L449-L488 HydrophobicContact CG-CD1 3.9Å; L449-Y499 HydrophobicContact CD1-CD1 3.85Å; L449-Y499 HydrophobicContact CD1-CD2 3.85Å; L449-Y499 HydrophobicContact CD1-CE1 4.44Å; L449-Y499 HydrophobicContact CD1-CE2 4.45Å; L449-Y499 HydrophobicContact CD1-CG 3.54Å; L449-R514 HydrophobicContact CB-CB 4.34Å; L449-R514 HydrophobicContact CB-CG 4.37Å; L449-R514 HydrophobicContact CD1-CB 4.48Å; L449-L516 HydrophobicContact CD2-CD1 4.44Å
450	D	91.8	Very high	90.3	Very high	24 Å²	24	39 Å²	39	13%	0.128	23%	0.233	C	C	.	.			trans	-78	148.9	-173.4	75.5	-61.4	0	0	0	113.8	T433 Q437 S485 R514	T433-D450 WeakPolarHBondContact CB-OD2 3.26Å; T433-D450 PolarHBondContact OG1-OD2 2.96Å; Q437-D450 PolarHBondContact OE1-OD1 2.83Å; D450-S485 WeakPolarHBondContact CA-OG 3.31Å; D450-R514 VanDerWaalsContact CG-NH2 3.34Å; D450-R514 PolarHBondContact O-NE 2.94Å; D450-R514 IonicContact OD1-CZ 3.73Å; D450-R514 IonicContact OD1-NE 2.98Å; D450-R514 PolarHBondContact OD1-NE 2.93Å; D450-R514 IonicContact OD1-NH2 3.12Å; D450-R514 PolarHBondContact OD1-NH2 2.9Å; D450-R514 VanDerWaalsContact OD1-NH2 3.16Å; D450-R514 IonicContact OD2-CZ 2.71Å; D450-R514 IonicContact OD2-NE 2.66Å; D450-R514 IonicContact OD2-NH2 3.89Å; D450-R514 PolarHBondContact OD2-NH2 3.36Å
451	C	90.9	Very high	90.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.			trans	-145.6	57.8	168.8	-171.7	0	0	0	0	110.7	V453 W463 C501	C451-V453 PolarHBondContact O-N 3.34Å; C451-W463 HydrophobicContact CB-CH2 4.24Å; C451-W463 HydrophobicContact CB-CZ2 3.56Å; C451-C501 HydrophobicContact CB-CB 3.75Å; C451-C501 WeakPolarHBondContact CB-SG 3.32Å; C451-C501 WeakPolarHBondContact SG-CB 3.46Å; C451-C501 CovalentContact SG-SG 2.03Å; C451-C501 PolarHBondContact SG-SG 2.79Å
452	N	87.8	Confident	90.1	Very high	58 Å²	58	41.7 Å²	41.7	31%	0.31	24%	0.244	S	C	.	.			trans	-73.5	109.6	178.8	-64.8	-40	0	0	0	109.8	L432 N483	L432-N452 HydrophobicContact CB-CB 4.23Å; L432-N452 PolarHBondContact N-O 3.36Å; N452-N483 PolarHBondContact OD1-ND2 2.8Å
453	V	88.3	Confident	90.2	Very high	33 Å²	33	41.6 Å²	41.6	20%	0.2	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.7	-172.8	68.9	0	0	0	0	112	P429 R430 F431 C451 V461 V503	P429-V453 HydrophobicContact CB-CG2 4.01Å; R430-V453 WeakPolarHBondContact O-CA 3.47Å; R430-V453 WeakPolarHBondContact O-CG2 3.48Å; F431-V453 HydrophobicContact CD1-CB 3.96Å; F431-V453 HydrophobicContact CD1-CG2 4.03Å; F431-V453 HydrophobicContact CE1-CB 4.05Å; F431-V453 HydrophobicContact CE1-CG2 4Å; C451-V453 PolarHBondContact O-N 3.34Å; V453-V461 HydrophobicContact CG1-CG2 4.27Å; V453-V503 HydrophobicContact CB-CG2 4.46Å; V453-V503 HydrophobicContact CG1-CG1 4.11Å; V453-V503 HydrophobicContact CG1-CG2 4.24Å; V453-V503 HydrophobicContact CG2-CB 4.33Å; V453-V503 HydrophobicContact CG2-CG1 3.91Å; V453-V503 HydrophobicContact CG2-CG2 4.23Å
454	E	88.5	Confident	90.2	Very high	75 Å²	75	40.2 Å²	40.2	35%	0.35	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.9	174.4	-171.7	-176.5	105.6	0	0	109.5	P429 R430 L432	P429-E454 WeakPolarHBondContact CA-O 3.44Å; R430-E454 HydrophobicContact CG-CB 3.99Å; R430-E454 IonicContact CZ-OE1 3.58Å; R430-E454 IonicContact CZ-OE2 2.78Å; R430-E454 PolarHBondContact N-O 3.37Å; R430-E454 IonicContact NE-OE1 3.53Å; R430-E454 PolarHBondContact NE-OE1 2.7Å; R430-E454 IonicContact NE-OE2 3.03Å; R430-E454 IonicContact NH2-OE1 2.8Å; R430-E454 PolarHBondContact NH2-OE1 2.82Å; R430-E454 IonicContact NH2-OE2 3.27Å; R430-E454 PolarHBondContact NH2-OE2 2.89Å; R430-E454 PolarHBondContact O-N 3.45Å; L432-E454 HydrophobicContact CD2-CB 4.24Å
455	A	86.3	Confident	90.3	Very high	24 Å²	24	39.4 Å²	39.4	20%	0.198	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	143.9	-177.8	0	0	0	0	0	111.6	H427 P429 P457 A459	H427-A455 WeakPolarHBondContact NE2-CA 3.23Å; P429-A455 HydrophobicContact CB-CB 4.04Å; P429-A455 HydrophobicContact CG-CB 4.12Å; A455-P457 CarbonylContact C-O 3.54Å; A455-A459 HydrophobicContact CB-CB 3.69Å
456	A	87.5	Confident	89.9	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	117	173.2	0	0	0	0	0	110.7	P345 F425 A426 H427 N505	P345-A456 HydrophobicContact CB-CB 3.85Å; F425-A456 HydrophobicContact CD2-CB 3.59Å; F425-A456 HydrophobicContact CE2-CB 3.76Å; F425-A456 WeakPolarHBondContact O-CB 3.39Å; A426-A456 CarbonylContact C-O 3.17Å; A426-A456 WeakPolarHBondContact CA-O 3.3Å; H427-A456 PolarHBondContact N-O 2.81Å; H427-A456 PolarHBondContact NE2-N 2.94Å; H427-A456 PolarHBondContact O-N 2.91Å; A456-N505 PolarHBondContact O-ND2 3.36Å
457	P	89	Confident	89.6	Confident	4 Å²	4	43.4 Å²	43.4	3%	0.026	23%	0.233	C	C	.	.	S	Bend	cis	-64.4	169.4	-2.9	31.2	-38.7	0	0	0	112.6	E346 E347 A455 A459 N505 K506	E346-P457 WeakPolarHBondContact O-CB 3.3Å; E347-P457 HydrophobicContact CB-CB 3.9Å; E347-P457 HydrophobicContact CG-CB 3.86Å; E347-P457 HydrophobicContact CG-CG 4.27Å; E347-P457 WeakPolarHBondContact OE2-CB 3.48Å; A455-P457 CarbonylContact C-O 3.54Å; P457-A459 PolarHBondContact O-N 3.29Å; P457-N505 PolarHBondContact O-ND2 3.31Å; P457-K506 HydrophobicContact CG-CD 4.3Å; P457-K506 HydrophobicContact CG-CG 4.28Å
458	K	85.5	Confident	89.1	Confident	167 Å²	167	50.6 Å²	50.6	73%	0.726	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-56.6	119.9	-178.2	-179	174.2	-178.8	171.7	0	110.7
459	A	87.9	Confident	88.9	Confident	10 Å²	10	54.7 Å²	54.7	8%	0.083	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-72.1	152.5	-177	0	0	0	0	0	113.7	P429 A455 P457 V503 N504 N505	P429-A459 HydrophobicContact CG-CB 4.03Å; A455-A459 HydrophobicContact CB-CB 3.69Å; P457-A459 PolarHBondContact O-N 3.29Å; A459-V503 HydrophobicContact CB-CG1 3.31Å; A459-N504 CarbonylContact C-O 3.52Å; A459-N504 VanDerWaalsContact CA-O 3.32Å; A459-N504 WeakPolarHBondContact CA-O 3.49Å; A459-N504 WeakPolarHBondContact CB-O 3.48Å; A459-N505 HydrophobicContact CB-CB 4.09Å
460	A	89.8	Confident	88.7	Confident	69 Å²	69	61.6 Å²	61.6	57%	0.57	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	133	163.5	0	0	0	0	0	109.3	V503 N504	A460-V503 WeakPolarHBondContact O-CA 3.4Å; A460-N504 PolarHBondContact N-O 2.93Å; A460-N504 PolarHBondContact O-N 3.03Å
461	V	90.6	Very high	88.5	Confident	35 Å²	35	61.6 Å²	61.6	21%	0.212	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.7	-179.2	-175.4	0	0	0	0	109.4	V453 H484 C501 N502 V503	V453-V461 HydrophobicContact CG1-CG2 4.27Å; V461-H484 HydrophobicContact CB-CB 4.26Å; V461-H484 HydrophobicContact CG1-CB 3.94Å; V461-H484 HydrophobicContact CG2-CB 4.21Å; V461-C501 WeakPolarHBondContact CG1-SG 3.35Å; V461-N502 WeakPolarHBondContact CA-O 3.41Å; V461-V503 HydrophobicContact CG1-CG2 4.09Å; V461-V503 HydrophobicContact CG2-CG1 4.04Å; V461-V503 HydrophobicContact CG2-CG2 4.07Å
462	N	91.4	Very high	87.9	Confident	68 Å²	68	66.8 Å²	66.8	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	164.1	169.4	73.6	51.9	0	0	0	111.3	C501 N502	N462-C501 CarbonylContact O-C 3.41Å; N462-C501 WeakPolarHBondContact O-CA 3.46Å; N462-N502 PolarHBondContact N-O 3.25Å; N462-N502 PolarHBondContact O-N 2.91Å; N462-N502 WeakPolarHBondContact OD1-CB 3.05Å; N462-N502 PolarHBondContact OD1-ND2 3.09Å
463	W	93.4	Very high	87.3	Confident	3 Å²	3	66.7 Å²	66.7	1%	0.011	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.9	175	-74.2	89.6	0	0	0	110.5	L449 C451 I471 H484 L486 I500 C501 R514	L449-W463 HydrophobicContact CB-CH2 3.78Å; L449-W463 HydrophobicContact CB-CZ2 4.45Å; L449-W463 HydrophobicContact CB-CZ3 4.28Å; C451-W463 HydrophobicContact CB-CH2 4.24Å; C451-W463 HydrophobicContact CB-CZ2 3.56Å; W463-I471 HydrophobicContact CB-CB 4.22Å; W463-I471 HydrophobicContact CB-CD1 4.27Å; W463-I471 PolarHBondContact O-N 2.86Å; W463-H484 PolarHBondContact NE1-O 3.13Å; W463-L486 HydrophobicContact CB-CD2 4.34Å; W463-L486 HydrophobicContact CD2-CB 3.88Å; W463-L486 HydrophobicContact CD2-CD2 4.09Å; W463-L486 HydrophobicContact CE3-CB 4.43Å; W463-L486 HydrophobicContact CE3-CD2 4.25Å; W463-L486 HydrophobicContact CG-CB 4.22Å; W463-L486 HydrophobicContact CG-CD2 4.17Å; W463-L486 HydrophobicContact CH2-CB 4.35Å; W463-L486 HydrophobicContact CZ2-CB 3.79Å; W463-I500 CarbonylContact C-O 3.17Å; W463-I500 WeakPolarHBondContact CA-O 3.14Å; W463-C501 HydrophobicContact CD2-CB 3.9Å; W463-C501 HydrophobicContact CE3-CB 3.88Å; W463-C501 HydrophobicContact CH2-CB 3.84Å; W463-C501 HydrophobicContact CZ2-CB 3.84Å; W463-C501 HydrophobicContact CZ3-CB 3.85Å; W463-R514 HydrophobicContact CH2-CG 4Å; W463-R514 HydrophobicContact CZ3-CB 4.33Å; W463-R514 HydrophobicContact CZ3-CG 4.13Å
464	T	93.7	Very high	86.7	Confident	16 Å²	16	69.8 Å²	69.8	10%	0.098	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	161.3	173	55.6	0	0	0	0	111.1	R469 I500 N502	T464-R469 VanDerWaalsContact CA-O 3.28Å; T464-R469 WeakPolarHBondContact CA-O 3.27Å; T464-I500 PolarHBondContact N-O 2.92Å; T464-I500 PolarHBondContact O-N 2.97Å; T464-N502 PolarHBondContact OG1-ND2 2.91Å
465	D	90.1	Very high	85.6	Confident	20 Å²	20	76.5 Å²	76.5	11%	0.107	39%	0.385	C	S	.	.			trans	-92.3	-169.5	173	75.4	-5.3	0	0	0	113.5	K467 E468 R469 L498	D465-K467 PolarHBondContact O-N 2.95Å; D465-K467 VanDerWaalsContact O-N 3.08Å; D465-K467 WeakPolarHBondContact OD1-CA 3Å; D465-K467 PolarHBondContact OD1-N 2.93Å; D465-E468 PolarHBondContact O-N 2.79Å; D465-E468 PolarHBondContact OD1-N 2.86Å; D465-R469 PolarHBondContact N-O 3Å; D465-R469 VanDerWaalsContact N-O 3.1Å; D465-R469 WeakPolarHBondContact OD1-CB 3.41Å; D465-R469 PolarHBondContact OD1-N 2.8Å; D465-R469 IonicContact OD1-NE 2.68Å; D465-R469 IonicContact OD2-CZ 3.54Å; D465-R469 IonicContact OD2-NE 3.79Å; D465-R469 PolarHBondContact OD2-NE 2.81Å; D465-R469 IonicContact OD2-NH2 2.73Å; D465-R469 PolarHBondContact OD2-NH2 2.95Å; D465-L498 CarbonylContact C-O 3.55Å; D465-L498 WeakPolarHBondContact CA-O 3.23Å
466	D	84.1	Confident	85	Confident	90 Å²	90	83.3 Å²	83.3	48%	0.481	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-9	177.1	76.9	-45	0	0	0	115	L498	D466-L498 HydrophobicContact CB-CB 4.26Å; D466-L498 PolarHBondContact N-O 3.04Å
467	K	85.4	Confident	85	Confident	130 Å²	130	87.5 Å²	87.5	57%	0.565	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	21.5	-176.9	-65.4	167.8	-167	82.6	0	111.8	D465 R469	D465-K467 PolarHBondContact O-N 2.95Å; D465-K467 VanDerWaalsContact O-N 3.08Å; D465-K467 WeakPolarHBondContact OD1-CA 3Å; D465-K467 PolarHBondContact OD1-N 2.93Å; K467-R469 HydrophobicContact CB-CG 4.11Å; K467-R469 PolarHBondContact O-N 2.86Å; K467-R469 VanDerWaalsContact O-N 3.11Å
468	E	83.2	Confident	85	Confident	171 Å²	171	89.3 Å²	89.3	80%	0.799	44%	0.436	S	S	*	.			trans	58.7	17.4	-177.6	-56.2	-176.5	168.8	0	0	114	D465 Q470	D465-E468 PolarHBondContact O-N 2.79Å; D465-E468 PolarHBondContact OD1-N 2.86Å; E468-Q470 PolarHBondContact O-N 2.9Å
469	R	88.8	Confident	85.2	Confident	152 Å²	152	84.5 Å²	84.5	57%	0.574	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-78.7	125.3	178.9	-56	-178.6	-65.4	167.6	2.9	109	T464 D465 K467 I471	T464-R469 VanDerWaalsContact CA-O 3.28Å; T464-R469 WeakPolarHBondContact CA-O 3.27Å; D465-R469 PolarHBondContact N-O 3Å; D465-R469 VanDerWaalsContact N-O 3.1Å; D465-R469 WeakPolarHBondContact OD1-CB 3.41Å; D465-R469 PolarHBondContact OD1-N 2.8Å; D465-R469 IonicContact OD1-NE 2.68Å; D465-R469 IonicContact OD2-CZ 3.54Å; D465-R469 IonicContact OD2-NE 3.79Å; D465-R469 PolarHBondContact OD2-NE 2.81Å; D465-R469 IonicContact OD2-NH2 2.73Å; D465-R469 PolarHBondContact OD2-NH2 2.95Å; K467-R469 HydrophobicContact CB-CG 4.11Å; K467-R469 PolarHBondContact O-N 2.86Å; K467-R469 VanDerWaalsContact O-N 3.11Å; R469-I471 PolarHBondContact O-N 2.69Å
470	Q	88.5	Confident	85.2	Confident	144 Å²	144	87.7 Å²	87.7	67%	0.673	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-65.8	126.7	-179.8	-176.2	-179.4	-18.1	0	0	111.5	E468 T472	E468-Q470 PolarHBondContact O-N 2.9Å; Q470-T472 PolarHBondContact O-N 2.79Å
471	I	87.8	Confident	85.1	Confident	25 Å²	25	86.4 Å²	86.4	13%	0.128	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-79.1	120.1	175.7	-60.5	177.4	0	0	0	108.2	W463 R469 F478 L486 Y499	W463-I471 HydrophobicContact CB-CB 4.22Å; W463-I471 HydrophobicContact CB-CD1 4.27Å; W463-I471 PolarHBondContact O-N 2.86Å; R469-I471 PolarHBondContact O-N 2.69Å; I471-F478 HydrophobicContact CG2-CD1 4.17Å; I471-F478 HydrophobicContact CG2-CG 4.31Å; I471-L486 HydrophobicContact CD1-CD2 3.99Å; I471-L486 HydrophobicContact CG2-CD1 4.46Å; I471-L486 HydrophobicContact CG2-CD2 4.23Å; I471-Y499 HydrophobicContact CD1-CD1 3.38Å; I471-Y499 HydrophobicContact CD1-CE1 3.65Å
472	T	79.1	Confident	84.7	Confident	108 Å²	108	90.8 Å²	90.8	66%	0.663	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-92.7	130.7	177	-56	0	0	0	0	109	Q470 D474	Q470-T472 PolarHBondContact O-N 2.79Å; T472-D474 PolarHBondContact O-N 3.1Å
473	A	73.6	Confident	84.5	Confident	57 Å²	57	90.7 Å²	90.7	47%	0.471	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-71.4	125.1	176.7	0	0	0	0	0	110.7	F478 I480	A473-F478 CarbonylContact C-O 3.48Å; A473-F478 VanDerWaalsContact CA-O 3.22Å; A473-F478 WeakPolarHBondContact CA-O 3.42Å; A473-I480 HydrophobicContact CB-CD1 4.36Å; A473-I480 HydrophobicContact CB-CG1 4.32Å
474	D	76.4	Confident	84.2	Confident	97 Å²	97	92.9 Å²	92.9	52%	0.519	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-131.7	130.9	174.2	-173.8	-0.5	0	0	0	108.7	T472 E476 R477 F478	T472-D474 PolarHBondContact O-N 3.1Å; D474-E476 PolarHBondContact O-N 2.84Å; D474-E476 VanDerWaalsContact O-N 3.08Å; D474-R477 PolarHBondContact O-N 2.95Å; D474-R477 VanDerWaalsContact O-N 3.16Å; D474-F478 CarbonylContact C-O 3.46Å; D474-F478 PolarHBondContact N-O 3.17Å; D474-F478 CarbonylContact O-C 3.54Å; D474-F478 PolarHBondContact O-N 3.36Å
475	R	65	Low	84.1	Confident	217 Å²	217	92.3 Å²	92.3	82%	0.819	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.9	-170.2	-71.5	-174.5	173.5	-165.5	-2.2	113	Q479	R475-Q479 PolarHBondContact O-NE2 2.89Å
476	E	73.5	Confident	84.2	Confident	167 Å²	167	91.4 Å²	91.4	78%	0.78	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.3	-176.2	-59.5	-169.4	176.1	0	0	114	D474	D474-E476 PolarHBondContact O-N 2.84Å; D474-E476 VanDerWaalsContact O-N 3.08Å
477	R	87.7	Confident	84.7	Confident	88 Å²	88	91.1 Å²	91.1	33%	0.332	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.5	-38.2	-177.5	-169.5	173.7	178.9	153.6	-4.8	116.2	D474 L488 L489 S494 D495	D474-R477 PolarHBondContact O-N 2.95Å; D474-R477 VanDerWaalsContact O-N 3.16Å; R477-L488 CarbonylContact O-C 3.47Å; R477-L488 VanDerWaalsContact O-CA 3.31Å; R477-L488 WeakPolarHBondContact O-CA 3.38Å; R477-L489 PolarHBondContact O-N 2.77Å; R477-S494 PolarHBondContact NH2-OG 2.99Å; R477-D495 IonicContact CZ-OD1 2.74Å; R477-D495 IonicContact CZ-OD2 3.57Å; R477-D495 IonicContact NE-OD1 4Å; R477-D495 PolarHBondContact NE-OD1 3.17Å; R477-D495 IonicContact NE-OD2 2.69Å; R477-D495 IonicContact NH2-OD1 2.81Å; R477-D495 PolarHBondContact NH2-OD1 3.07Å; R477-D495 IonicContact NH2-OD2 3.45Å; R477-D495 PolarHBondContact NH2-OD2 2.89Å
478	F	89.5	Confident	85	Confident	41 Å²	41	85 Å²	85	18%	0.18	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	109.2	-172	-70.3	-77.2	0	0	0	111.5	I471 A473 D474 L486 R487 L488 Y499	I471-F478 HydrophobicContact CG2-CD1 4.17Å; I471-F478 HydrophobicContact CG2-CG 4.31Å; A473-F478 CarbonylContact C-O 3.48Å; A473-F478 VanDerWaalsContact CA-O 3.22Å; A473-F478 WeakPolarHBondContact CA-O 3.42Å; D474-F478 CarbonylContact C-O 3.46Å; D474-F478 PolarHBondContact N-O 3.17Å; D474-F478 CarbonylContact O-C 3.54Å; D474-F478 PolarHBondContact O-N 3.36Å; F478-L486 HydrophobicContact CB-CD1 4.42Å; F478-L486 HydrophobicContact CD1-CD1 4.34Å; F478-R487 WeakPolarHBondContact CA-O 3.31Å; F478-L488 HydrophobicContact CD1-CD2 4.35Å; F478-L488 HydrophobicContact CD1-CG 3.85Å; F478-L488 HydrophobicContact CE1-CD1 4.49Å; F478-L488 HydrophobicContact CE1-CD2 3.62Å; F478-L488 HydrophobicContact CE1-CG 3.64Å; F478-L488 HydrophobicContact CZ-CD2 4.37Å; F478-Y499 HydrophobicContact CE1-CE1 4.26Å
479	Q	89.3	Confident	85.4	Confident	66 Å²	66	78.6 Å²	78.6	31%	0.308	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.4	-176.7	-56.2	-177.6	-1.6	0	0	110.9	R475 R487	R475-Q479 PolarHBondContact O-NE2 2.89Å; Q479-R487 HydrophobicContact CB-CB 4.22Å; Q479-R487 PolarHBondContact N-O 3.07Å; Q479-R487 WeakPolarHBondContact O-CB 3.38Å; Q479-R487 PolarHBondContact O-N 3.22Å
480	I	87.5	Confident	85.5	Confident	77 Å²	77	76.8 Å²	76.8	40%	0.395	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122	172.5	-60.7	172.6	0	0	0	108.4	A473 L486	A473-I480 HydrophobicContact CB-CD1 4.36Å; A473-I480 HydrophobicContact CB-CG1 4.32Å; I480-L486 HydrophobicContact CG1-CD1 4.02Å
481	L	87.7	Confident	85.7	Confident	42 Å²	42	70 Å²	70	22%	0.22	36%	0.355	C	S	.	.			trans	-81.6	166.6	-176.9	-58.1	-175.7	0	0	0	112	N483 H484 S485 R487	L481-N483 VanDerWaalsContact CB-OD1 3.3Å; L481-N483 WeakPolarHBondContact CB-OD1 3.27Å; L481-N483 PolarHBondContact O-N 3.14Å; L481-H484 WeakPolarHBondContact O-CA 3.28Å; L481-H484 PolarHBondContact O-N 2.94Å; L481-S485 PolarHBondContact N-O 3.4Å; L481-R487 HydrophobicContact CD1-CB 4.39Å; L481-R487 HydrophobicContact CD2-CB 4.18Å; L481-R487 HydrophobicContact CG-CB 4.25Å
482	S	83.9	Confident	85.9	Confident	127 Å²	127	72.1 Å²	72.1	89%	0.888	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.3	-177.5	51.2	0	0	0	0	114.4
483	N	85.3	Confident	86.4	Confident	66 Å²	66	71.1 Å²	71.1	35%	0.353	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	18.3	171.6	71.1	-38	0	0	0	112.9	N452 L481 S485	N452-N483 PolarHBondContact OD1-ND2 2.8Å; L481-N483 VanDerWaalsContact CB-OD1 3.3Å; L481-N483 WeakPolarHBondContact CB-OD1 3.27Å; L481-N483 PolarHBondContact O-N 3.14Å; N483-S485 PolarHBondContact ND2-OG 3.05Å; N483-S485 PolarHBondContact O-N 3.44Å; N483-S485 VanDerWaalsContact O-N 3.14Å; N483-S485 PolarHBondContact OD1-OG 2.7Å
484	H	87.9	Confident	87.2	Confident	49 Å²	49	72.3 Å²	72.3	23%	0.227	36%	0.361	C	S	.	.	S	Bend	trans	68.8	-3.3	179.1	-53.4	-77.7	0	0	0	117.1	V461 W463 L481	V461-H484 HydrophobicContact CB-CB 4.26Å; V461-H484 HydrophobicContact CG1-CB 3.94Å; V461-H484 HydrophobicContact CG2-CB 4.21Å; W463-H484 PolarHBondContact NE1-O 3.13Å; L481-H484 WeakPolarHBondContact O-CA 3.28Å; L481-H484 PolarHBondContact O-N 2.94Å
485	S	91.5	Very high	87.9	Confident	5 Å²	5	68.1 Å²	68.1	4%	0.035	34%	0.338	C	S	.	.			trans	-57	148.5	168.6	-62.3	0	0	0	0	112.7	L449 D450 L481 N483	L449-S485 CarbonylContact O-C 3.51Å; L449-S485 WeakPolarHBondContact O-CA 3.22Å; L449-S485 VanDerWaalsContact O-CB 3.22Å; L449-S485 WeakPolarHBondContact O-CB 3.27Å; D450-S485 WeakPolarHBondContact CA-OG 3.31Å; L481-S485 PolarHBondContact N-O 3.4Å; N483-S485 PolarHBondContact ND2-OG 3.05Å; N483-S485 PolarHBondContact O-N 3.44Å; N483-S485 VanDerWaalsContact O-N 3.14Å; N483-S485 PolarHBondContact OD1-OG 2.7Å
486	L	92.6	Very high	89.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.9	174.8	178.4	64.2	0	0	0	110.3	L449 W463 I471 F478 I480 L488 Y499	L449-L486 HydrophobicContact CB-CB 4.47Å; L449-L486 HydrophobicContact CD1-CD2 4.44Å; L449-L486 PolarHBondContact N-O 2.83Å; L449-L486 PolarHBondContact O-N 2.87Å; W463-L486 HydrophobicContact CB-CD2 4.34Å; W463-L486 HydrophobicContact CD2-CB 3.88Å; W463-L486 HydrophobicContact CD2-CD2 4.09Å; W463-L486 HydrophobicContact CE3-CB 4.43Å; W463-L486 HydrophobicContact CE3-CD2 4.25Å; W463-L486 HydrophobicContact CG-CB 4.22Å; W463-L486 HydrophobicContact CG-CD2 4.17Å; W463-L486 HydrophobicContact CH2-CB 4.35Å; W463-L486 HydrophobicContact CZ2-CB 3.79Å; I471-L486 HydrophobicContact CD1-CD2 3.99Å; I471-L486 HydrophobicContact CG2-CD1 4.46Å; I471-L486 HydrophobicContact CG2-CD2 4.23Å; F478-L486 HydrophobicContact CB-CD1 4.42Å; F478-L486 HydrophobicContact CD1-CD1 4.34Å; I480-L486 HydrophobicContact CG1-CD1 4.02Å; L486-L488 HydrophobicContact CD2-CD1 4.37Å; L486-L488 HydrophobicContact CG-CD1 4.12Å; L486-Y499 HydrophobicContact CD2-CD1 3.84Å; L486-Y499 HydrophobicContact CD2-CE1 4.23Å
487	R	93.5	Very high	90	Very high	84 Å²	84	53.9 Å²	53.9	32%	0.317	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.2	171.6	176.9	166	-67.1	-175.6	-1.9	110.7	V447 D448 F478 Q479 L481 L489	V447-R487 CarbonylContact O-C 3.52Å; V447-R487 WeakPolarHBondContact O-CA 3.35Å; D448-R487 WeakPolarHBondContact OD1-CB 3.34Å; D448-R487 VanDerWaalsContact OD1-CG 3.31Å; D448-R487 WeakPolarHBondContact OD1-CG 3.47Å; D448-R487 IonicContact OD1-CZ 3.15Å; D448-R487 IonicContact OD1-NE 3.81Å; D448-R487 PolarHBondContact OD1-NE 3.37Å; D448-R487 IonicContact OD1-NH2 3.72Å; D448-R487 PolarHBondContact OD1-NH2 2.78Å; D448-R487 IonicContact OD2-CZ 3.14Å; D448-R487 IonicContact OD2-NE 3.53Å; D448-R487 IonicContact OD2-NH2 2.76Å; D448-R487 PolarHBondContact OD2-NH2 2.63Å; F478-R487 WeakPolarHBondContact CA-O 3.31Å; Q479-R487 HydrophobicContact CB-CB 4.22Å; Q479-R487 PolarHBondContact N-O 3.07Å; Q479-R487 WeakPolarHBondContact O-CB 3.38Å; Q479-R487 PolarHBondContact O-N 3.22Å; L481-R487 HydrophobicContact CD1-CB 4.39Å; L481-R487 HydrophobicContact CD2-CB 4.18Å; L481-R487 HydrophobicContact CG-CB 4.25Å; R487-L489 HydrophobicContact CG-CD2 3.93Å
488	L	93.2	Very high	90.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.8	167.8	-65.9	79	0	0	0	108.9	D446 V447 L449 R477 F478 L486 V491 D495 Y499 L516	D446-L488 WeakPolarHBondContact CA-O 3.34Å; V447-L488 HydrophobicContact CG1-CB 4.02Å; V447-L488 HydrophobicContact CG1-CD1 4.35Å; V447-L488 PolarHBondContact N-O 3.1Å; V447-L488 PolarHBondContact O-N 3.03Å; L449-L488 HydrophobicContact CD1-CD1 3.82Å; L449-L488 HydrophobicContact CG-CD1 3.9Å; R477-L488 CarbonylContact O-C 3.47Å; R477-L488 VanDerWaalsContact O-CA 3.31Å; R477-L488 WeakPolarHBondContact O-CA 3.38Å; F478-L488 HydrophobicContact CD1-CD2 4.35Å; F478-L488 HydrophobicContact CD1-CG 3.85Å; F478-L488 HydrophobicContact CE1-CD1 4.49Å; F478-L488 HydrophobicContact CE1-CD2 3.62Å; F478-L488 HydrophobicContact CE1-CG 3.64Å; F478-L488 HydrophobicContact CZ-CD2 4.37Å; L486-L488 HydrophobicContact CD2-CD1 4.37Å; L486-L488 HydrophobicContact CG-CD1 4.12Å; L488-V491 HydrophobicContact CB-CG2 3.85Å; L488-D495 HydrophobicContact CD2-CB 4.07Å; L488-Y499 HydrophobicContact CD2-CE1 4.46Å; L488-L516 HydrophobicContact CD2-CD2 3.69Å
489	L	91.9	Very high	90.5	Very high	37 Å²	37	51.6 Å²	51.6	19%	0.194	29%	0.293	C	S	.	.	S	Bend	trans	-105.2	143.2	175.9	-59.3	-176.4	0	0	0	111.6	D446 R477 R487 V491	D446-L489 HydrophobicContact CB-CD2 4.09Å; D446-L489 VanDerWaalsContact OD1-CA 3.24Å; D446-L489 WeakPolarHBondContact OD1-CA 3.47Å; R477-L489 PolarHBondContact O-N 2.77Å; R487-L489 HydrophobicContact CG-CD2 3.93Å; L489-V491 PolarHBondContact O-N 2.75Å
490	N	90.8	Very high	90.8	Very high	115 Å²	115	49.6 Å²	49.6	62%	0.615	28%	0.284	S	S	*	.	S	Bend	trans	46.7	57.1	175.3	-178.7	69.7	0	0	0	112.3	S445 D446	S445-N490 PolarHBondContact O-N 2.97Å; D446-N490 PolarHBondContact OD1-N 3.33Å
491	V	92.6	Very high	91.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	27%	0.265	C	S	.	.			trans	-58	135.3	-170.2	174.6	0	0	0	0	112.2	T441 V443 G444 S445 V447 L488 L489 D495 L516 V518	T441-V491 HydrophobicContact CG2-CB 4.37Å; T441-V491 HydrophobicContact CG2-CG1 4.05Å; T441-V491 HydrophobicContact CG2-CG2 4.45Å; V443-V491 CarbonylContact C-O 3.57Å; V443-V491 WeakPolarHBondContact CA-O 3.43Å; G444-V491 PolarHBondContact N-O 2.9Å; S445-V491 WeakPolarHBondContact O-CB 3.2Å; S445-V491 VanDerWaalsContact O-CG2 3.29Å; S445-V491 WeakPolarHBondContact O-CG2 3.49Å; S445-V491 PolarHBondContact O-N 3.19Å; V447-V491 HydrophobicContact CG1-CG2 3.71Å; L488-V491 HydrophobicContact CB-CG2 3.85Å; L489-V491 PolarHBondContact O-N 2.75Å; V491-D495 HydrophobicContact CG1-CB 4.11Å; V491-L516 HydrophobicContact CG1-CD2 4.49Å; V491-V518 HydrophobicContact CG1-CB 4.27Å; V491-V518 HydrophobicContact CG1-CG1 3.8Å; V491-V518 HydrophobicContact CG1-CG2 3.42Å; V491-V518 VanDerWaalsContact CG1-CG2 3.42Å
492	D	91.7	Very high	91.3	Very high	69 Å²	69	45.5 Å²	45.5	37%	0.369	26%	0.263	S	S	.	.			trans	-110	162.1	176.6	175.1	45.5	0	0	0	111.6	S494 D495	D492-S494 PolarHBondContact O-N 3.01Å; D492-S494 WeakPolarHBondContact OD2-CB 3.07Å; D492-S494 PolarHBondContact OD2-N 2.83Å; D492-S494 PolarHBondContact OD2-OG 2.84Å; D492-D495 PolarHBondContact N-OD2 2.87Å; D492-D495 WeakPolarHBondContact O-CB 3.23Å; D492-D495 PolarHBondContact O-N 3.5Å
493	M	89.8	Confident	91.7	Very high	87 Å²	87	39.5 Å²	39.5	43%	0.429	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-56.7	-21.9	173.7	-65.4	-64.8	-68.8	0	0	112.9	V443 D495 V518	V443-M493 HydrophobicContact CG2-CG 3.66Å; V443-M493 HydrophobicContact CG2-SD 3.59Å; V443-M493 VanDerWaalsContact CG2-SD 3.59Å; M493-D495 VanDerWaalsContact C-N 3.33Å; M493-V518 HydrophobicContact SD-CB 4.24Å; M493-V518 HydrophobicContact SD-CG1 3.96Å
494	S	89.6	Confident	92.1	Very high	83 Å²	83	40.6 Å²	40.6	58%	0.58	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-72.8	-14	173.7	61.5	0	0	0	0	115.5	R477 D492	R477-S494 PolarHBondContact NH2-OG 2.99Å; D492-S494 PolarHBondContact O-N 3.01Å; D492-S494 WeakPolarHBondContact OD2-CB 3.07Å; D492-S494 PolarHBondContact OD2-N 2.83Å; D492-S494 PolarHBondContact OD2-OG 2.84Å
495	D	90.9	Very high	92.2	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.043	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-83.7	-7.6	176.6	-63.7	-64.2	0	0	0	113.6	R477 L488 V491 D492 M493 G497 Y499 L516 V518	R477-D495 IonicContact CZ-OD1 2.74Å; R477-D495 IonicContact CZ-OD2 3.57Å; R477-D495 IonicContact NE-OD1 4Å; R477-D495 PolarHBondContact NE-OD1 3.17Å; R477-D495 IonicContact NE-OD2 2.69Å; R477-D495 IonicContact NH2-OD1 2.81Å; R477-D495 PolarHBondContact NH2-OD1 3.07Å; R477-D495 IonicContact NH2-OD2 3.45Å; R477-D495 PolarHBondContact NH2-OD2 2.89Å; L488-D495 HydrophobicContact CD2-CB 4.07Å; V491-D495 HydrophobicContact CG1-CB 4.11Å; D492-D495 PolarHBondContact N-OD2 2.87Å; D492-D495 WeakPolarHBondContact O-CB 3.23Å; D492-D495 PolarHBondContact O-N 3.5Å; M493-D495 VanDerWaalsContact C-N 3.33Å; D495-G497 PolarHBondContact O-N 3.41Å; D495-Y499 WeakPolarHBondContact O-CE2 3.46Å; D495-Y499 PolarHBondContact O-OH 2.83Å; D495-Y499 VanDerWaalsContact O-OH 3.05Å; D495-L516 HydrophobicContact CB-CD2 4.03Å; D495-V518 HydrophobicContact CB-CG2 4.47Å
496	A	91.6	Very high	92.1	Very high	54 Å²	54	44 Å²	44	45%	0.446	24%	0.241	S	C	.	.			trans	-66.6	118.6	-178	0	0	0	0	0	111.4	L516 V518	A496-L516 WeakPolarHBondContact CA-O 3.46Å; A496-V518 HydrophobicContact CB-CG2 4.21Å
497	G	91.9	Very high	91.9	Very high	31 Å²	31	48.9 Å²	48.9	32%	0.32	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-170.3	-171.2	0	0	0	0	0	115.1	D495 K515 L516	D495-G497 PolarHBondContact O-N 3.41Å; G497-K515 WeakPolarHBondContact O-CA 3.34Å; G497-L516 PolarHBondContact N-O 3.11Å; G497-L516 VanDerWaalsContact N-O 3.16Å; G497-L516 PolarHBondContact O-N 3.05Å
498	L	94	Very high	91.7	Very high	62 Å²	62	46 Å²	46	33%	0.325	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.3	173.9	-178.6	66	0	0	0	110	D465 D466 I500 K513	D465-L498 CarbonylContact C-O 3.55Å; D465-L498 WeakPolarHBondContact CA-O 3.23Å; D466-L498 HydrophobicContact CB-CB 4.26Å; D466-L498 PolarHBondContact N-O 3.04Å; L498-I500 HydrophobicContact CD2-CD1 4.31Å; L498-I500 HydrophobicContact CD2-CG1 4.33Å; L498-I500 HydrophobicContact CG-CG1 4.18Å; L498-K513 HydrophobicContact CD1-CB 4.07Å; L498-K513 HydrophobicContact CD1-CG 4.35Å
499	Y	94.3	Very high	91.7	Very high	19 Å²	19	52 Å²	52	8%	0.075	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.1	173.5	-65	-104.4	0	0	0	108.1	L449 I471 F478 L486 L488 D495 R514 L516	L449-Y499 HydrophobicContact CD1-CD1 3.85Å; L449-Y499 HydrophobicContact CD1-CD2 3.85Å; L449-Y499 HydrophobicContact CD1-CE1 4.44Å; L449-Y499 HydrophobicContact CD1-CE2 4.45Å; L449-Y499 HydrophobicContact CD1-CG 3.54Å; I471-Y499 HydrophobicContact CD1-CD1 3.38Å; I471-Y499 HydrophobicContact CD1-CE1 3.65Å; F478-Y499 HydrophobicContact CE1-CE1 4.26Å; L486-Y499 HydrophobicContact CD2-CD1 3.84Å; L486-Y499 HydrophobicContact CD2-CE1 4.23Å; L488-Y499 HydrophobicContact CD2-CE1 4.46Å; D495-Y499 WeakPolarHBondContact O-CE2 3.46Å; D495-Y499 PolarHBondContact O-OH 2.83Å; D495-Y499 VanDerWaalsContact O-OH 3.05Å; Y499-R514 PolarHBondContact N-O 3Å; Y499-R514 PolarHBondContact O-N 2.66Å; Y499-L516 HydrophobicContact CD2-CB 4.12Å; Y499-L516 HydrophobicContact CE2-CB 3.86Å; Y499-L516 HydrophobicContact CE2-CD2 4.12Å
500	I	94.6	Very high	91.7	Very high	24 Å²	24	51.9 Å²	51.9	12%	0.123	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.6	-178	-48.8	179.1	0	0	0	108.3	W463 T464 L498 N502 H511 A512 K513	W463-I500 CarbonylContact C-O 3.17Å; W463-I500 WeakPolarHBondContact CA-O 3.14Å; T464-I500 PolarHBondContact N-O 2.92Å; T464-I500 PolarHBondContact O-N 2.97Å; L498-I500 HydrophobicContact CD2-CD1 4.31Å; L498-I500 HydrophobicContact CD2-CG1 4.33Å; L498-I500 HydrophobicContact CG-CG1 4.18Å; I500-N502 WeakPolarHBondContact CG2-OD1 3.4Å; I500-H511 HydrophobicContact CG2-CB 4.05Å; I500-A512 CarbonylContact C-O 3.28Å; I500-A512 WeakPolarHBondContact CA-O 3.29Å; I500-K513 HydrophobicContact CG1-CG 4.36Å
501	C	94	Very high	91.8	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.8	170.9	-168.6	0	0	0	0	108.8	C451 V461 N462 W463 H511 A512	C451-C501 HydrophobicContact CB-CB 3.75Å; C451-C501 WeakPolarHBondContact CB-SG 3.32Å; C451-C501 WeakPolarHBondContact SG-CB 3.46Å; C451-C501 CovalentContact SG-SG 2.03Å; C451-C501 PolarHBondContact SG-SG 2.79Å; V461-C501 WeakPolarHBondContact CG1-SG 3.35Å; N462-C501 CarbonylContact O-C 3.41Å; N462-C501 WeakPolarHBondContact O-CA 3.46Å; W463-C501 HydrophobicContact CD2-CB 3.9Å; W463-C501 HydrophobicContact CE3-CB 3.88Å; W463-C501 HydrophobicContact CH2-CB 3.84Å; W463-C501 HydrophobicContact CZ2-CB 3.84Å; W463-C501 HydrophobicContact CZ3-CB 3.85Å; C501-H511 CarbonylContact O-C 3.44Å; C501-H511 VanDerWaalsContact O-CA 3.28Å; C501-H511 WeakPolarHBondContact O-CA 3.34Å; C501-A512 PolarHBondContact N-O 3.02Å; C501-A512 PolarHBondContact O-N 2.72Å
502	N	92.6	Very high	91.8	Very high	34 Å²	34	49.9 Å²	49.9	18%	0.182	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.3	179.2	-47.6	-71.4	0	0	0	109.4	V461 N462 T464 I500	V461-N502 WeakPolarHBondContact CA-O 3.41Å; N462-N502 PolarHBondContact N-O 3.25Å; N462-N502 PolarHBondContact O-N 2.91Å; N462-N502 WeakPolarHBondContact OD1-CB 3.05Å; N462-N502 PolarHBondContact OD1-ND2 3.09Å; T464-N502 PolarHBondContact OG1-ND2 2.91Å; I500-N502 WeakPolarHBondContact CG2-OD1 3.4Å
503	V	92.5	Very high	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.3	-174.9	-172.1	0	0	0	0	110.7	P429 F431 V453 A459 A460 V461 L509 N510	P429-V503 HydrophobicContact CB-CB 4.23Å; P429-V503 HydrophobicContact CB-CG1 3.67Å; P429-V503 HydrophobicContact CG-CG1 3.97Å; F431-V503 HydrophobicContact CE1-CG2 3.77Å; F431-V503 HydrophobicContact CZ-CB 4.35Å; F431-V503 HydrophobicContact CZ-CG2 3.77Å; V453-V503 HydrophobicContact CB-CG2 4.46Å; V453-V503 HydrophobicContact CG1-CG1 4.11Å; V453-V503 HydrophobicContact CG1-CG2 4.24Å; V453-V503 HydrophobicContact CG2-CB 4.33Å; V453-V503 HydrophobicContact CG2-CG1 3.91Å; V453-V503 HydrophobicContact CG2-CG2 4.23Å; A459-V503 HydrophobicContact CB-CG1 3.31Å; A460-V503 WeakPolarHBondContact O-CA 3.4Å; V461-V503 HydrophobicContact CG1-CG2 4.09Å; V461-V503 HydrophobicContact CG2-CG1 4.04Å; V461-V503 HydrophobicContact CG2-CG2 4.07Å; V503-L509 WeakPolarHBondContact O-CA 3.28Å; V503-N510 PolarHBondContact N-O 2.9Å; V503-N510 PolarHBondContact O-N 3.14Å; V503-N510 VanDerWaalsContact O-O 3.1Å
504	N	92.3	Very high	92.1	Very high	89 Å²	89	46.1 Å²	46.1	48%	0.476	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.2	-171.4	-174.3	7.4	0	0	0	111.6	A459 A460 L509	A459-N504 CarbonylContact C-O 3.52Å; A459-N504 VanDerWaalsContact CA-O 3.32Å; A459-N504 WeakPolarHBondContact CA-O 3.49Å; A459-N504 WeakPolarHBondContact CB-O 3.48Å; A460-N504 PolarHBondContact N-O 2.93Å; A460-N504 PolarHBondContact O-N 3.03Å; N504-L509 HydrophobicContact CB-CD1 3.88Å
505	N	90.9	Very high	92.3	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.064	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	174.3	158.8	82.4	5.8	0	0	0	110.2	H427 P429 A456 P457 A459 Y507 G508	H427-N505 PolarHBondContact O-ND2 3.37Å; P429-N505 HydrophobicContact CG-CB 4.37Å; A456-N505 PolarHBondContact O-ND2 3.36Å; P457-N505 PolarHBondContact O-ND2 3.31Å; A459-N505 HydrophobicContact CB-CB 4.09Å; N505-Y507 PolarHBondContact O-N 2.84Å; N505-Y507 WeakPolarHBondContact OD1-CB 3.48Å; N505-Y507 PolarHBondContact OD1-N 2.95Å; N505-G508 PolarHBondContact N-O 2.83Å; N505-G508 PolarHBondContact O-N 2.71Å; N505-G508 VanDerWaalsContact O-O 3.08Å; N505-G508 PolarHBondContact OD1-N 2.63Å
506	K	89	Confident	92.5	Very high	113 Å²	113	46.6 Å²	46.6	49%	0.491	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-11.8	-175.1	71.5	-173	-176.6	-170.5	0	115.6	E346 E347 P457	E346-K506 IonicContact OE1-NZ 3.66Å; E346-K506 PolarHBondContact OE1-NZ 3.33Å; E346-K506 WeakPolarHBondContact OE2-CE 3.44Å; E346-K506 IonicContact OE2-NZ 2.64Å; E346-K506 PolarHBondContact OE2-NZ 3Å; E347-K506 WeakPolarHBondContact OE1-CD 3.37Å; E347-K506 WeakPolarHBondContact OE1-CE 3.37Å; E347-K506 IonicContact OE1-NZ 2.69Å; E347-K506 PolarHBondContact OE1-NZ 2.7Å; P457-K506 HydrophobicContact CG-CD 4.3Å; P457-K506 HydrophobicContact CG-CG 4.28Å
507	Y	88.6	Confident	92.6	Very high	103 Å²	103	45.9 Å²	45.9	40%	0.404	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-15.2	175.6	-65.3	-75.7	0	0	0	113.6	E346 A426 N505	E346-Y507 WeakPolarHBondContact OE2-CE2 3.3Å; E346-Y507 PolarHBondContact OE2-OH 3.07Å; E346-Y507 VanDerWaalsContact OE2-OH 3.06Å; A426-Y507 HydrophobicContact CB-CD2 4.37Å; A426-Y507 HydrophobicContact CB-CE2 3.62Å; N505-Y507 PolarHBondContact O-N 2.84Å; N505-Y507 WeakPolarHBondContact OD1-CB 3.48Å; N505-Y507 PolarHBondContact OD1-N 2.95Å
508	G	89.3	Confident	92.7	Very high	24 Å²	24	44.4 Å²	44.4	25%	0.247	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.2	166.1	175.9	0	0	0	0	0	116	P429 N505	P429-G508 WeakPolarHBondContact CD-O 3.41Å; N505-G508 PolarHBondContact N-O 2.83Å; N505-G508 PolarHBondContact O-N 2.71Å; N505-G508 VanDerWaalsContact O-O 3.08Å; N505-G508 PolarHBondContact OD1-N 2.63Å
509	L	92.1	Very high	92.6	Very high	126 Å²	126	41.9 Å²	41.9	66%	0.66	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.1	171.9	-178.8	75.5	0	0	0	109	V503 N504	V503-L509 WeakPolarHBondContact O-CA 3.28Å; N504-L509 HydrophobicContact CB-CD1 3.88Å
510	N	92.1	Very high	92.4	Very high	36 Å²	36	44.1 Å²	44.1	19%	0.193	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.4	168.2	-157	-9.8	0	0	0	110.3	P429 F431 V503	P429-N510 HydrophobicContact CB-CB 4.44Å; P429-N510 WeakPolarHBondContact O-CB 3.26Å; P429-N510 PolarHBondContact O-ND2 2.96Å; P429-N510 VanDerWaalsContact O-ND2 3.07Å; F431-N510 HydrophobicContact CE2-CB 3.98Å; V503-N510 PolarHBondContact N-O 2.9Å; V503-N510 PolarHBondContact O-N 3.14Å; V503-N510 VanDerWaalsContact O-O 3.1Å
511	H	92.7	Very high	92.3	Very high	74 Å²	74	48.3 Å²	48.3	34%	0.343	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	138.1	-179.3	69.8	-68.2	0	0	0	113	I500 C501 K513	I500-H511 HydrophobicContact CG2-CB 4.05Å; C501-H511 CarbonylContact O-C 3.44Å; C501-H511 VanDerWaalsContact O-CA 3.28Å; C501-H511 WeakPolarHBondContact O-CA 3.34Å; H511-K513 WeakPolarHBondContact NE2-CE 3.41Å; H511-K513 PolarHBondContact NE2-NZ 2.91Å
512	A	92.5	Very high	92.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141	176.9	0	0	0	0	0	111.1	F431 I500 C501	F431-A512 HydrophobicContact CD1-CB 3.84Å; F431-A512 HydrophobicContact CD2-CB 4.01Å; F431-A512 HydrophobicContact CE1-CB 3.59Å; F431-A512 HydrophobicContact CE2-CB 3.77Å; F431-A512 HydrophobicContact CG-CB 4.05Å; F431-A512 HydrophobicContact CZ-CB 3.56Å; I500-A512 CarbonylContact C-O 3.28Å; I500-A512 WeakPolarHBondContact CA-O 3.29Å; C501-A512 PolarHBondContact N-O 3.02Å; C501-A512 PolarHBondContact O-N 2.72Å
513	K	93.9	Very high	92	Very high	77 Å²	77	54.6 Å²	54.6	34%	0.335	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.7	-175.4	-75.9	163.8	-176.8	146.9	0	110.9	E435 S436 Q437 L498 I500 H511	E435-K513 PolarHBondContact O-N 3.12Å; S436-K513 WeakPolarHBondContact CA-O 3.44Å; Q437-K513 PolarHBondContact N-O 3.02Å; L498-K513 HydrophobicContact CD1-CB 4.07Å; L498-K513 HydrophobicContact CD1-CG 4.35Å; I500-K513 HydrophobicContact CG1-CG 4.36Å; H511-K513 WeakPolarHBondContact NE2-CE 3.41Å; H511-K513 PolarHBondContact NE2-NZ 2.91Å
514	R	94.5	Very high	91.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	111.1	178.5	-62.1	-60.3	178.8	-105.5	12.5	109.4	T433 D434 Q437 L449 D450 W463 Y499	T433-R514 PolarHBondContact OG1-NH2 2.96Å; D434-R514 PolarHBondContact O-NH1 3.37Å; D434-R514 PolarHBondContact O-NH2 2.91Å; Q437-R514 WeakPolarHBondContact O-CA 3.29Å; L449-R514 HydrophobicContact CB-CB 4.34Å; L449-R514 HydrophobicContact CB-CG 4.37Å; L449-R514 HydrophobicContact CD1-CB 4.48Å; D450-R514 VanDerWaalsContact CG-NH2 3.34Å; D450-R514 PolarHBondContact O-NE 2.94Å; D450-R514 IonicContact OD1-CZ 3.73Å; D450-R514 IonicContact OD1-NE 2.98Å; D450-R514 PolarHBondContact OD1-NE 2.93Å; D450-R514 IonicContact OD1-NH2 3.12Å; D450-R514 PolarHBondContact OD1-NH2 2.9Å; D450-R514 VanDerWaalsContact OD1-NH2 3.16Å; D450-R514 IonicContact OD2-CZ 2.71Å; D450-R514 IonicContact OD2-NE 2.66Å; D450-R514 IonicContact OD2-NH2 3.89Å; D450-R514 PolarHBondContact OD2-NH2 3.36Å; W463-R514 HydrophobicContact CH2-CG 4Å; W463-R514 HydrophobicContact CZ3-CB 4.33Å; W463-R514 HydrophobicContact CZ3-CG 4.13Å; Y499-R514 PolarHBondContact N-O 3Å; Y499-R514 PolarHBondContact O-N 2.66Å
515	K	94.6	Very high	91.7	Very high	97 Å²	97	57 Å²	57	42%	0.422	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.7	177.1	-174.1	-166.7	179.2	-156.7	0	109	Q437 T438 I439 G497 E517	Q437-K515 PolarHBondContact O-N 2.94Å; T438-K515 CarbonylContact C-O 3.5Å; T438-K515 WeakPolarHBondContact CA-O 3.44Å; T438-K515 HydrophobicContact CG2-CB 4.27Å; T438-K515 HydrophobicContact CG2-CD 4.01Å; T438-K515 HydrophobicContact CG2-CG 4.4Å; I439-K515 PolarHBondContact N-O 2.62Å; G497-K515 WeakPolarHBondContact O-CA 3.34Å; K515-E517 WeakPolarHBondContact CE-OE1 3.29Å; K515-E517 IonicContact NZ-OE1 2.7Å; K515-E517 PolarHBondContact NZ-OE1 3.49Å
516	L	94.5	Very high	91.6	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.2	176	179.3	59	0	0	0	110.3	I439 T441 V447 L449 L488 V491 D495 A496 G497 Y499 V518	I439-L516 HydrophobicContact CG2-CD1 4.44Å; T441-L516 HydrophobicContact CG2-CD1 4.19Å; V447-L516 HydrophobicContact CG1-CD1 4.16Å; V447-L516 HydrophobicContact CG1-CD2 4.48Å; L449-L516 HydrophobicContact CD2-CD1 4.44Å; L488-L516 HydrophobicContact CD2-CD2 3.69Å; V491-L516 HydrophobicContact CG1-CD2 4.49Å; D495-L516 HydrophobicContact CB-CD2 4.03Å; A496-L516 WeakPolarHBondContact CA-O 3.46Å; G497-L516 PolarHBondContact N-O 3.11Å; G497-L516 VanDerWaalsContact N-O 3.16Å; G497-L516 PolarHBondContact O-N 3.05Å; Y499-L516 HydrophobicContact CD2-CB 4.12Å; Y499-L516 HydrophobicContact CE2-CB 3.86Å; Y499-L516 HydrophobicContact CE2-CD2 4.12Å; L516-V518 HydrophobicContact CD2-CG2 4.33Å; L516-V518 HydrophobicContact CG-CG2 4.1Å
517	E	93.6	Very high	91.5	Very high	40 Å²	40	58 Å²	58	19%	0.187	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.4	174.9	-62.7	-176	163	0	0	110.2	T438 I439 A440 T441 K515 Y519	T438-E517 HydrophobicContact CG2-CG 4.01Å; I439-E517 PolarHBondContact O-N 2.9Å; A440-E517 WeakPolarHBondContact CA-O 3.3Å; T441-E517 PolarHBondContact N-O 2.95Å; K515-E517 WeakPolarHBondContact CE-OE1 3.29Å; K515-E517 IonicContact NZ-OE1 2.7Å; K515-E517 PolarHBondContact NZ-OE1 3.49Å; E517-Y519 HydrophobicContact CB-CD2 4.33Å; E517-Y519 HydrophobicContact CB-CE2 3.42Å; E517-Y519 VanDerWaalsContact CB-CE2 3.42Å; E517-Y519 VanDerWaalsContact O-CD2 3.25Å; E517-Y519 WeakPolarHBondContact O-CD2 3.28Å; E517-Y519 VanDerWaalsContact O-CE2 3.26Å; E517-Y519 WeakPolarHBondContact O-CE2 3.31Å; E517-Y519 PolarHBondContact OE2-OH 2.87Å
518	V	93.3	Very high	91.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.8	-179.3	-169.9	0	0	0	0	109.8	T441 V443 V491 M493 D495 A496 L516 R552	T441-V518 WeakPolarHBondContact O-CA 3.39Å; V443-V518 HydrophobicContact CG2-CG1 3.69Å; V491-V518 HydrophobicContact CG1-CB 4.27Å; V491-V518 HydrophobicContact CG1-CG1 3.8Å; V491-V518 HydrophobicContact CG1-CG2 3.42Å; V491-V518 VanDerWaalsContact CG1-CG2 3.42Å; M493-V518 HydrophobicContact SD-CB 4.24Å; M493-V518 HydrophobicContact SD-CG1 3.96Å; D495-V518 HydrophobicContact CB-CG2 4.47Å; A496-V518 HydrophobicContact CB-CG2 4.21Å; L516-V518 HydrophobicContact CD2-CG2 4.33Å; L516-V518 HydrophobicContact CG-CG2 4.1Å; V518-R552 VanDerWaalsContact O-CZ 3.27Å; V518-R552 PolarHBondContact O-NH1 3.49Å; V518-R552 PolarHBondContact O-NH2 2.98Å
519	Y	93	Very high	91.1	Very high	8 Å²	8	59.1 Å²	59.1	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158	-171.9	-60	-106.8	0	0	0	112.3	A440 T441 V442 V443 E517 D550 R552 L553 K602	A440-Y519 HydrophobicContact CB-CD2 4.36Å; A440-Y519 HydrophobicContact CB-CE2 3.6Å; T441-Y519 WeakPolarHBondContact O-CD2 3.37Å; T441-Y519 PolarHBondContact O-N 2.85Å; V442-Y519 CarbonylContact C-O 3.43Å; V442-Y519 WeakPolarHBondContact CA-O 3.14Å; V443-Y519 PolarHBondContact N-O 3.02Å; E517-Y519 HydrophobicContact CB-CD2 4.33Å; E517-Y519 HydrophobicContact CB-CE2 3.42Å; E517-Y519 VanDerWaalsContact CB-CE2 3.42Å; E517-Y519 VanDerWaalsContact O-CD2 3.25Å; E517-Y519 WeakPolarHBondContact O-CD2 3.28Å; E517-Y519 VanDerWaalsContact O-CE2 3.26Å; E517-Y519 WeakPolarHBondContact O-CE2 3.31Å; E517-Y519 PolarHBondContact OE2-OH 2.87Å; Y519-D550 WeakPolarHBondContact CA-OD2 3.09Å; Y519-D550 HydrophobicContact CD1-CB 4.04Å; Y519-R552 HydrophobicContact CD1-CB 3.89Å; Y519-R552 HydrophobicContact CE1-CB 3.44Å; Y519-R552 VanDerWaalsContact CE1-CB 3.44Å; Y519-L553 HydrophobicContact CD1-CD1 4.12Å; Y519-L553 HydrophobicContact CD1-CD2 3.4Å; Y519-L553 VanDerWaalsContact CD1-CD2 3.4Å; Y519-L553 HydrophobicContact CD1-CG 3.48Å; Y519-L553 VanDerWaalsContact CD1-CG 3.48Å; Y519-L553 HydrophobicContact CD2-CD2 4.4Å; Y519-L553 HydrophobicContact CE1-CD2 3.41Å; Y519-L553 VanDerWaalsContact CE1-CD2 3.41Å; Y519-L553 HydrophobicContact CE1-CG 3.88Å; Y519-L553 HydrophobicContact CE2-CD2 4.48Å; Y519-L553 HydrophobicContact CG-CD1 4.29Å; Y519-L553 HydrophobicContact CG-CD2 3.9Å; Y519-L553 HydrophobicContact CG-CG 4.1Å; Y519-K602 PolarHBondContact OH-NZ 2.82Å
520	T	90.7	Very high	90.7	Very high	66 Å²	66	57.1 Å²	57.1	41%	0.405	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-83.2	143.2	174.1	60.2	0	0	0	0	113.6	D550	T520-D550 PolarHBondContact N-OD2 2.99Å; T520-D550 WeakPolarHBondContact OG1-CA 3.34Å; T520-D550 WeakPolarHBondContact OG1-CB 3.14Å
521	H	90.6	Very high	90.3	Very high	113 Å²	113	65.5 Å²	65.5	52%	0.523	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-50.5	145.7	173.6	-81.9	102	0	0	0	114.7	V443	V443-H521 PolarHBondContact O-CE1 3.11Å; V443-H521 PolarHBondContact O-ND1 3.1Å
522	T	91.4	Very high	90.1	Very high	15 Å²	15	70.7 Å²	70.7	9%	0.092	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-75.7	136.4	171.4	-62.6	0	0	0	0	112	A547 E548 A549 L555 T601 D604 V606	T522-A547 HydrophobicContact CG2-CB 3.81Å; T522-E548 CarbonylContact C-O 3.57Å; T522-E548 VanDerWaalsContact CA-O 3.29Å; T522-E548 WeakPolarHBondContact CA-O 3.39Å; T522-A549 HydrophobicContact CG2-CB 4.5Å; T522-A549 WeakPolarHBondContact OG1-CB 3.39Å; T522-L555 HydrophobicContact CG2-CD2 3.84Å; T522-T601 WeakPolarHBondContact OG1-CG2 3.33Å; T522-D604 WeakPolarHBondContact CB-OD1 3.18Å; T522-D604 VanDerWaalsContact CB-OD2 3.29Å; T522-D604 WeakPolarHBondContact CB-OD2 3.32Å; T522-D604 PolarHBondContact N-OD2 3.34Å; T522-D604 VanDerWaalsContact OG1-CG 3.29Å; T522-D604 PolarHBondContact OG1-OD1 2.77Å; T522-D604 PolarHBondContact OG1-OD2 2.87Å; T522-V606 HydrophobicContact CG2-CG2 4.23Å
523	R	90.2	Very high	89.9	Confident	151 Å²	151	71.6 Å²	71.6	57%	0.57	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.7	177	62.1	-179.5	176.4	-141.9	2.7	112.1	A547 E548	R523-A547 CarbonylContact O-C 3.57Å; R523-A547 WeakPolarHBondContact O-CA 3.41Å; R523-A547 WeakPolarHBondContact O-CB 3.28Å; R523-E548 HydrophobicContact CG-CB 4.1Å; R523-E548 IonicContact CZ-OE1 3.36Å; R523-E548 IonicContact CZ-OE2 3.46Å; R523-E548 PolarHBondContact N-O 2.85Å; R523-E548 IonicContact NE-OE1 2.66Å; R523-E548 IonicContact NE-OE2 3.66Å; R523-E548 PolarHBondContact NE-OE2 3.31Å; R523-E548 IonicContact NH2-OE1 2.67Å; R523-E548 PolarHBondContact NH2-OE1 3.38Å; R523-E548 IonicContact NH2-OE2 3.59Å; R523-E548 PolarHBondContact NH2-OE2 2.7Å; R523-E548 PolarHBondContact O-N 2.91Å
524	L	88.7	Confident	89.6	Confident	61 Å²	61	73 Å²	73	32%	0.319	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.1	167.1	-75.1	170.4	0	0	0	110.6	E546 A547 V606 S607	L524-E546 CarbonylContact C-O 3.55Å; L524-E546 WeakPolarHBondContact CA-O 3.47Å; L524-A547 HydrophobicContact CD2-CB 4.4Å; L524-V606 HydrophobicContact CD1-CB 4.2Å; L524-V606 HydrophobicContact CD1-CG2 4.48Å; L524-V606 HydrophobicContact CD2-CB 4.22Å; L524-V606 HydrophobicContact CD2-CG2 3.62Å; L524-V606 HydrophobicContact CG-CB 3.85Å; L524-V606 HydrophobicContact CG-CG2 3.66Å; L524-S607 WeakPolarHBondContact CD1-O 3.48Å
525	V	88.7	Confident	89.2	Confident	78 Å²	78	74 Å²	74	47%	0.473	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-40.8	174.4	-179.8	0	0	0	0	110.5	E546 E548	V525-E546 HydrophobicContact CB-CB 4.32Å; V525-E546 HydrophobicContact CB-CG 4.19Å; V525-E546 PolarHBondContact N-O 3.1Å; V525-E548 HydrophobicContact CG2-CB 3.62Å
526	T	88.9	Confident	88.5	Confident	45 Å²	45	73.6 Å²	73.6	28%	0.276	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.1	-176.6	-58.7	0	0	0	0	111.4	V544 C545 E546	T526-V544 HydrophobicContact CG2-CB 4.42Å; T526-V544 HydrophobicContact CG2-CG1 4.03Å; T526-C545 WeakPolarHBondContact O-CA 3.35Å; T526-E546 PolarHBondContact N-O 3.22Å; T526-E546 VanDerWaalsContact N-O 3.16Å; T526-E546 PolarHBondContact O-N 3.21Å; T526-E546 PolarHBondContact OG1-OE2 2.88Å
527	E	88.1	Confident	87.8	Confident	101 Å²	101	74.2 Å²	74.2	47%	0.472	36%	0.357	S	S	.	.			trans	-110.2	156.2	178.8	-64.9	178.6	151.3	0	0	112.1	K529	E527-K529 PolarHBondContact O-N 2.98Å; E527-K529 WeakPolarHBondContact OE2-CE 3.29Å; E527-K529 IonicContact OE2-NZ 3.19Å; E527-K529 PolarHBondContact OE2-NZ 2.7Å
528	L	88.3	Confident	86.7	Confident	8 Å²	8	74 Å²	74	4%	0.042	37%	0.365	C	S	.	.			trans	-69.8	109.7	177.8	-70.1	-179.2	0	0	0	113	L543 V544 C545 W559 C597 S608 E609 M610	L528-L543 HydrophobicContact CD1-CD2 4.49Å; L528-L543 HydrophobicContact CD2-CB 3.68Å; L528-L543 HydrophobicContact CD2-CD2 3.84Å; L528-L543 HydrophobicContact CD2-CG 4.41Å; L528-V544 WeakPolarHBondContact CD2-O 3.42Å; L528-C545 HydrophobicContact CD2-CB 4.48Å; L528-C545 HydrophobicContact CG-CB 4.47Å; L528-W559 HydrophobicContact CD1-CH2 4.31Å; L528-W559 HydrophobicContact CD1-CZ3 3.86Å; L528-W559 HydrophobicContact CD2-CH2 4.03Å; L528-W559 HydrophobicContact CD2-CZ3 4.22Å; L528-C597 HydrophobicContact CD1-CB 4.32Å; L528-S608 PolarHBondContact N-OG 2.95Å; L528-E609 WeakPolarHBondContact CB-O 3.43Å; L528-M610 HydrophobicContact CB-CB 4.3Å; L528-M610 HydrophobicContact CB-CG 4.3Å
529	K	80	Confident	86.1	Confident	143 Å²	143	75.7 Å²	75.7	62%	0.622	38%	0.377	S	S	*	.			trans	-143.4	149	-179.8	-67.1	170.8	-173.9	158.7	0	110.4	E527	E527-K529 PolarHBondContact O-N 2.98Å; E527-K529 WeakPolarHBondContact OE2-CE 3.29Å; E527-K529 IonicContact OE2-NZ 3.19Å; E527-K529 PolarHBondContact OE2-NZ 2.7Å
530	P	84.4	Confident	85.4	Confident	83 Å²	83	81.9 Å²	81.9	54%	0.539	40%	0.404	S	S	.	.	S	Bend	cis	-71.9	168.6	-6.7	33.5	-38.3	0	0	0	112.1	R532 M610	P530-R532 WeakPolarHBondContact CG-O 3.42Å; P530-R532 PolarHBondContact O-N 3.38Å; P530-M610 WeakPolarHBondContact O-CB 3.48Å; P530-M610 WeakPolarHBondContact O-CE 3.16Å
531	R	82.9	Confident	85.3	Confident	212 Å²	212	79.8 Å²	79.8	80%	0.8	39%	0.39	S	S	*	.	S	Bend	trans	-64.3	-18.9	177.8	-73.6	-174.6	174.5	179	-2.7	114.7	T611	R531-T611 WeakPolarHBondContact O-CB 3.24Å; R531-T611 PolarHBondContact O-N 2.95Å; R531-T611 VanDerWaalsContact O-N 3.08Å; R531-T611 PolarHBondContact O-OG1 2.85Å
532	R	89.3	Confident	85.1	Confident	184 Å²	184	78.2 Å²	78.2	69%	0.694	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-146.3	142	179.7	-63.5	179.5	65.5	-167.7	-0	111.2	P530 T611	P530-R532 WeakPolarHBondContact CG-O 3.42Å; P530-R532 PolarHBondContact O-N 3.38Å; R532-T611 CarbonylContact C-O 3.46Å; R532-T611 WeakPolarHBondContact CA-O 3.27Å
533	A	88.6	Confident	85.1	Confident	19 Å²	19	77.5 Å²	77.5	16%	0.157	38%	0.378	C	S	.	.			trans	-138	160.7	178.6	0	0	0	0	0	114.3	F541 T611 L612 I613	A533-F541 HydrophobicContact CB-CE1 4.45Å; A533-F541 HydrophobicContact CB-CE2 3.47Å; A533-F541 VanDerWaalsContact CB-CE2 3.47Å; A533-F541 HydrophobicContact CB-CZ 3.36Å; A533-T611 PolarHBondContact N-O 3.41Å; A533-L612 HydrophobicContact CB-CD1 4.16Å; A533-L612 CarbonylContact O-C 3.37Å; A533-I613 PolarHBondContact O-N 2.89Å; A533-I613 VanDerWaalsContact O-N 3.17Å
534	V	88	Confident	85	Confident	105 Å²	105	72.7 Å²	72.7	64%	0.636	37%	0.365	S	S	*	.			trans	-130.6	134.6	172.6	-178.7	0	0	0	0	108.1	I613	V534-I613 HydrophobicContact CG1-CB 4.4Å; V534-I613 HydrophobicContact CG1-CG2 4.21Å; V534-I613 HydrophobicContact CG2-CB 4.23Å; V534-I613 HydrophobicContact CG2-CD1 4.07Å
535	I	86.4	Confident	85	Confident	21 Å²	21	69.8 Å²	69.8	11%	0.108	35%	0.35	C	S	.	.			trans	-136.3	-176.5	-175.4	66.3	153.5	0	0	0	112.3	S539 F541 P587 L612 I613 V614	I535-S539 WeakPolarHBondContact CD1-OG 3.23Å; I535-F541 HydrophobicContact CD1-CB 4.22Å; I535-F541 HydrophobicContact CG2-CD2 3.56Å; I535-F541 HydrophobicContact CG2-CE2 4.07Å; I535-F541 HydrophobicContact CG2-CG 4.34Å; I535-P587 HydrophobicContact CD1-CB 3.88Å; I535-P587 HydrophobicContact CD1-CG 3.53Å; I535-L612 HydrophobicContact CB-CD1 4.32Å; I535-L612 HydrophobicContact CD1-CD1 4.09Å; I535-L612 HydrophobicContact CD1-CD2 4.25Å; I535-L612 HydrophobicContact CD1-CG 4.44Å; I535-L612 HydrophobicContact CG1-CD1 3.75Å; I535-L612 HydrophobicContact CG1-CG 4.34Å; I535-L612 HydrophobicContact CG2-CD1 3.67Å; I535-I613 WeakPolarHBondContact CG1-O 3.12Å; I535-I613 PolarHBondContact N-O 2.9Å; I535-V614 HydrophobicContact CD1-CG1 4.42Å; I535-V614 HydrophobicContact CD1-CG2 4.14Å; I535-V614 HydrophobicContact CG1-CB 4.43Å; I535-V614 HydrophobicContact CG1-CG1 4.42Å; I535-V614 HydrophobicContact CG1-CG2 4.05Å; I535-V614 WeakPolarHBondContact O-CA 3.26Å
536	E	79.5	Confident	85	Confident	89 Å²	89	69.7 Å²	69.7	42%	0.416	35%	0.345	S	S	.	.			trans	-116.2	152.9	-178.1	-44.1	-169.9	132	0	0	108.8	S539 R699	E536-S539 WeakPolarHBondContact O-CB 3.26Å; E536-S539 PolarHBondContact O-N 2.82Å; E536-S539 PolarHBondContact O-OG 2.8Å; E536-R699 VanDerWaalsContact CD-NH2 3.34Å; E536-R699 IonicContact OE1-CZ 3.54Å; E536-R699 IonicContact OE1-NH1 2.67Å; E536-R699 PolarHBondContact OE1-NH1 2.73Å; E536-R699 IonicContact OE1-NH2 2.84Å; E536-R699 PolarHBondContact OE1-NH2 2.84Å; E536-R699 IonicContact OE2-CZ 3.01Å; E536-R699 IonicContact OE2-NH1 2.76Å; E536-R699 PolarHBondContact OE2-NH1 2.97Å; E536-R699 IonicContact OE2-NH2 3.53Å
537	A	78.3	Confident	85.2	Confident	17 Å²	17	68 Å²	68	14%	0.14	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	149.5	-179.8	0	0	0	0	0	111.4	S539 P587 V614 K615 D616	A537-S539 PolarHBondContact O-N 3.25Å; A537-P587 WeakPolarHBondContact CA-O 3.22Å; A537-P587 VanDerWaalsContact CB-O 3.25Å; A537-P587 WeakPolarHBondContact CB-O 3.31Å; A537-V614 HydrophobicContact CB-CG1 3.97Å; A537-K615 WeakPolarHBondContact CA-O 3.04Å; A537-K615 WeakPolarHBondContact CB-O 3.46Å; A537-K615 PolarHBondContact N-O 2.78Å; A537-D616 HydrophobicContact CB-CB 3.9Å; A537-D616 WeakPolarHBondContact CB-OD1 3.29Å; A537-D616 WeakPolarHBondContact CB-OD2 3.41Å
538	G	70.7	Confident	85.3	Confident	34 Å²	34	67.4 Å²	67.4	35%	0.351	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	-16.9	-170.6	0	0	0	0	0	114.7	D586 P587	G538-D586 WeakPolarHBondContact CA-OD1 3.3Å; G538-P587 PolarHBondContact N-O 2.9Å
539	S	81.7	Confident	85.4	Confident	36 Å²	36	67.9 Å²	67.9	25%	0.252	34%	0.337	S	S	.	.			trans	-63.8	157.1	174.8	78	0	0	0	0	111.2	I535 E536 A537 P587	I535-S539 WeakPolarHBondContact CD1-OG 3.23Å; E536-S539 WeakPolarHBondContact O-CB 3.26Å; E536-S539 PolarHBondContact O-N 2.82Å; E536-S539 PolarHBondContact O-OG 2.8Å; A537-S539 PolarHBondContact O-N 3.25Å; S539-P587 WeakPolarHBondContact O-CD 3.37Å; S539-P587 WeakPolarHBondContact O-CG 3.37Å
540	K	78.3	Confident	85.8	Confident	139 Å²	139	61.9 Å²	61.9	60%	0.604	31%	0.312	S	S	*	.			trans	-99.7	114.1	176.5	-70	175.5	-176.7	170.6	0	108.8	V583	K540-V583 HydrophobicContact CB-CG1 4.08Å; K540-V583 HydrophobicContact CG-CG1 4.38Å
541	F	89.3	Confident	85.9	Confident	22 Å²	22	62 Å²	62	10%	0.096	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.5	168.8	-161.9	-121.4	0	0	0	110	A533 I535 L543 V583 I584 M610 L612	A533-F541 HydrophobicContact CB-CE1 4.45Å; A533-F541 HydrophobicContact CB-CE2 3.47Å; A533-F541 VanDerWaalsContact CB-CE2 3.47Å; A533-F541 HydrophobicContact CB-CZ 3.36Å; I535-F541 HydrophobicContact CD1-CB 4.22Å; I535-F541 HydrophobicContact CG2-CD2 3.56Å; I535-F541 HydrophobicContact CG2-CE2 4.07Å; I535-F541 HydrophobicContact CG2-CG 4.34Å; F541-L543 HydrophobicContact CD1-CD1 4.47Å; F541-L543 HydrophobicContact CD1-CD2 4.32Å; F541-L543 HydrophobicContact CD1-CG 4.12Å; F541-L543 HydrophobicContact CE1-CD2 3.75Å; F541-L543 HydrophobicContact CE1-CG 4.06Å; F541-V583 WeakPolarHBondContact O-CA 3.42Å; F541-I584 HydrophobicContact CB-CB 4.38Å; F541-I584 HydrophobicContact CB-CD1 4.22Å; F541-I584 HydrophobicContact CD1-CD1 4.04Å; F541-I584 PolarHBondContact N-O 2.98Å; F541-I584 PolarHBondContact O-N 3.4Å; F541-I584 VanDerWaalsContact O-N 3.14Å; F541-M610 HydrophobicContact CE1-CE 3.96Å; F541-M610 HydrophobicContact CE1-SD 3.6Å; F541-M610 HydrophobicContact CZ-CE 3.55Å; F541-M610 HydrophobicContact CZ-SD 3.61Å; F541-L612 HydrophobicContact CB-CD1 4.26Å; F541-L612 HydrophobicContact CB-CD2 3.98Å; F541-L612 HydrophobicContact CD1-CD1 3.62Å; F541-L612 HydrophobicContact CD1-CD2 3.65Å; F541-L612 HydrophobicContact CD1-CG 4.13Å; F541-L612 HydrophobicContact CD2-CD1 3.68Å; F541-L612 HydrophobicContact CE1-CB 4.38Å; F541-L612 HydrophobicContact CE1-CD1 3.74Å; F541-L612 HydrophobicContact CE1-CD2 4.32Å; F541-L612 HydrophobicContact CE1-CG 4.38Å; F541-L612 HydrophobicContact CE2-CD1 3.83Å; F541-L612 HydrophobicContact CG-CD1 3.57Å; F541-L612 HydrophobicContact CG-CD2 3.91Å; F541-L612 HydrophobicContact CG-CG 4.37Å; F541-L612 HydrophobicContact CZ-CD1 3.84Å
542	H	86.2	Confident	86.1	Confident	79 Å²	79	57.6 Å²	57.6	37%	0.366	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.8	-174.2	-67.6	-37.4	0	0	0	110	R581 V583	H542-R581 PolarHBondContact CD2-NH2 2.91Å; H542-R581 PolarHBondContact CE1-NH2 3Å; H542-R581 PolarHBondContact NE2-NH2 2.91Å; H542-R581 VanDerWaalsContact NE2-NH2 3.14Å; H542-V583 WeakPolarHBondContact ND1-CG1 3.48Å; H542-V583 WeakPolarHBondContact ND1-CG2 3.45Å
543	L	90.3	Very high	86	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.4	174.4	-67.2	164.2	0	0	0	105.5	L528 F541 W559 R581 L582 I584 Y595 M610	L528-L543 HydrophobicContact CD1-CD2 4.49Å; L528-L543 HydrophobicContact CD2-CB 3.68Å; L528-L543 HydrophobicContact CD2-CD2 3.84Å; L528-L543 HydrophobicContact CD2-CG 4.41Å; F541-L543 HydrophobicContact CD1-CD1 4.47Å; F541-L543 HydrophobicContact CD1-CD2 4.32Å; F541-L543 HydrophobicContact CD1-CG 4.12Å; F541-L543 HydrophobicContact CE1-CD2 3.75Å; F541-L543 HydrophobicContact CE1-CG 4.06Å; L543-W559 HydrophobicContact CB-CH2 3.65Å; L543-W559 HydrophobicContact CB-CZ3 3.55Å; L543-W559 HydrophobicContact CD1-CZ3 4.33Å; L543-W559 WeakPolarHBondContact O-CH2 3.41Å; L543-R581 CarbonylContact O-C 3.45Å; L543-R581 VanDerWaalsContact O-CA 3.23Å; L543-R581 WeakPolarHBondContact O-CA 3.38Å; L543-L582 HydrophobicContact CB-CB 4.18Å; L543-L582 HydrophobicContact CD1-CB 4.35Å; L543-L582 HydrophobicContact CD1-CD2 3.62Å; L543-L582 HydrophobicContact CD1-CG 3.96Å; L543-L582 PolarHBondContact N-O 2.79Å; L543-L582 PolarHBondContact O-N 3.27Å; L543-L582 VanDerWaalsContact O-N 3.09Å; L543-I584 HydrophobicContact CD1-CD1 4.49Å; L543-Y595 HydrophobicContact CD1-CD1 3.85Å; L543-Y595 HydrophobicContact CD1-CD2 4.08Å; L543-Y595 HydrophobicContact CD1-CG 3.58Å; L543-M610 HydrophobicContact CD2-CE 3.82Å; L543-M610 HydrophobicContact CD2-CG 3.24Å; L543-M610 HydrophobicContact CD2-SD 3.62Å
544	V	87.9	Confident	85.9	Confident	50 Å²	50	54.3 Å²	54.3	30%	0.303	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.6	-176.1	-177.7	0	0	0	0	108.9	T526 L528 R581	T526-V544 HydrophobicContact CG2-CB 4.42Å; T526-V544 HydrophobicContact CG2-CG1 4.03Å; L528-V544 WeakPolarHBondContact CD2-O 3.42Å; V544-R581 HydrophobicContact CG2-CG 4.03Å
545	C	90.5	Very high	85.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.			trans	-146	96.8	-171	163.4	0	0	0	0	106.2	T526 L528 Y557 W559 N580 C597	T526-C545 WeakPolarHBondContact O-CA 3.35Å; L528-C545 HydrophobicContact CD2-CB 4.48Å; L528-C545 HydrophobicContact CG-CB 4.47Å; C545-Y557 WeakPolarHBondContact O-CE1 3.21Å; C545-W559 HydrophobicContact CB-CH2 3.84Å; C545-W559 HydrophobicContact CB-CZ2 3.93Å; C545-N580 CarbonylContact C-O 3.5Å; C545-N580 PolarHBondContact N-O 2.94Å; C545-N580 WeakPolarHBondContact O-CA 3.47Å; C545-N580 VanDerWaalsContact O-CB 3.29Å; C545-N580 WeakPolarHBondContact O-CB 3.31Å; C545-C597 HydrophobicContact CB-CB 3.49Å; C545-C597 VanDerWaalsContact CB-CB 3.49Å; C545-C597 WeakPolarHBondContact CB-SG 3.39Å; C545-C597 WeakPolarHBondContact SG-CB 3.45Å; C545-C597 CovalentContact SG-SG 2.02Å; C545-C597 PolarHBondContact SG-SG 3.47Å
546	E	88.7	Confident	86.1	Confident	76 Å²	76	53.6 Å²	53.6	36%	0.355	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.8	-164.5	-171.6	177.2	-154.7	0	0	110.3	L524 V525 T526	L524-E546 CarbonylContact C-O 3.55Å; L524-E546 WeakPolarHBondContact CA-O 3.47Å; V525-E546 HydrophobicContact CB-CB 4.32Å; V525-E546 HydrophobicContact CB-CG 4.19Å; V525-E546 PolarHBondContact N-O 3.1Å; T526-E546 PolarHBondContact N-O 3.22Å; T526-E546 VanDerWaalsContact N-O 3.16Å; T526-E546 PolarHBondContact O-N 3.21Å; T526-E546 PolarHBondContact OG1-OE2 2.88Å
547	A	91.8	Very high	86.7	Confident	9 Å²	9	50.5 Å²	50.5	7%	0.074	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.9	172.2	0	0	0	0	0	110.8	T522 R523 L524 L555 Y557 A599 V606	T522-A547 HydrophobicContact CG2-CB 3.81Å; R523-A547 CarbonylContact O-C 3.57Å; R523-A547 WeakPolarHBondContact O-CA 3.41Å; R523-A547 WeakPolarHBondContact O-CB 3.28Å; L524-A547 HydrophobicContact CD2-CB 4.4Å; A547-L555 HydrophobicContact CB-CD2 4.37Å; A547-L555 VanDerWaalsContact O-CD1 3.25Å; A547-L555 WeakPolarHBondContact O-CD1 3.47Å; A547-Y557 HydrophobicContact CB-CE1 4.32Å; A547-Y557 PolarHBondContact N-OH 3.08Å; A547-Y557 PolarHBondContact O-OH 2.94Å; A547-A599 HydrophobicContact CB-CB 3.85Å; A547-V606 HydrophobicContact CB-CG2 4.03Å
548	E	90.3	Very high	87.3	Confident	88 Å²	88	51.8 Å²	51.8	41%	0.411	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.9	178.2	-178.9	-172.2	175.7	0	0	108.4	T522 R523 V525	T522-E548 CarbonylContact C-O 3.57Å; T522-E548 VanDerWaalsContact CA-O 3.29Å; T522-E548 WeakPolarHBondContact CA-O 3.39Å; R523-E548 HydrophobicContact CG-CB 4.1Å; R523-E548 IonicContact CZ-OE1 3.36Å; R523-E548 IonicContact CZ-OE2 3.46Å; R523-E548 PolarHBondContact N-O 2.85Å; R523-E548 IonicContact NE-OE1 2.66Å; R523-E548 IonicContact NE-OE2 3.66Å; R523-E548 PolarHBondContact NE-OE2 3.31Å; R523-E548 IonicContact NH2-OE1 2.67Å; R523-E548 PolarHBondContact NH2-OE1 3.38Å; R523-E548 IonicContact NH2-OE2 3.59Å; R523-E548 PolarHBondContact NH2-OE2 2.7Å; R523-E548 PolarHBondContact O-N 2.91Å; V525-E548 HydrophobicContact CG2-CB 3.62Å
549	A	90	Very high	88.3	Confident	19 Å²	19	50.4 Å²	50.4	16%	0.157	27%	0.274	C	S	.	.			trans	-130	176.4	-179	0	0	0	0	0	110	T522 G551 L553 L555 T601	T522-A549 HydrophobicContact CG2-CB 4.5Å; T522-A549 WeakPolarHBondContact OG1-CB 3.39Å; A549-G551 PolarHBondContact O-N 3.18Å; A549-L553 HydrophobicContact CB-CB 4.44Å; A549-L553 HydrophobicContact CB-CD1 4.44Å; A549-L555 HydrophobicContact CB-CD1 3.92Å; A549-L555 HydrophobicContact CB-CD2 4.13Å; A549-L555 HydrophobicContact CB-CG 3.96Å; A549-T601 HydrophobicContact CB-CG2 3.81Å
550	D	89.5	Confident	88.7	Confident	17 Å²	17	51.9 Å²	51.9	9%	0.091	27%	0.274	C	S	.	.			trans	-52.3	133.1	170.1	-167.5	-68.6	0	0	0	111.4	Y519 T520 R552 L553	Y519-D550 WeakPolarHBondContact CA-OD2 3.09Å; Y519-D550 HydrophobicContact CD1-CB 4.04Å; T520-D550 PolarHBondContact N-OD2 2.99Å; T520-D550 WeakPolarHBondContact OG1-CA 3.34Å; T520-D550 WeakPolarHBondContact OG1-CB 3.14Å; D550-R552 VanDerWaalsContact CG-NH2 3.29Å; D550-R552 PolarHBondContact O-N 2.84Å; D550-R552 WeakPolarHBondContact OD1-CB 3.06Å; D550-R552 IonicContact OD1-CZ 2.77Å; D550-R552 PolarHBondContact OD1-N 2.69Å; D550-R552 VanDerWaalsContact OD1-N 3.08Å; D550-R552 IonicContact OD1-NE 2.69Å; D550-R552 PolarHBondContact OD1-NE 2.82Å; D550-R552 IonicContact OD1-NH2 2.66Å; D550-R552 PolarHBondContact OD1-NH2 3.04Å; D550-R552 IonicContact OD2-CZ 2.79Å; D550-R552 IonicContact OD2-NE 2.68Å; D550-R552 IonicContact OD2-NH2 2.64Å; D550-R552 PolarHBondContact OD2-NH2 2.88Å; D550-L553 HydrophobicContact CB-CD1 3.97Å; D550-L553 HydrophobicContact CB-CG 4.06Å; D550-L553 WeakPolarHBondContact O-CB 3.44Å; D550-L553 PolarHBondContact O-N 3.03Å
551	G	85.4	Confident	89.3	Confident	85 Å²	85	46.6 Å²	46.6	88%	0.876	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-3.2	-175.1	0	0	0	0	0	115.9	A549	A549-G551 PolarHBondContact O-N 3.18Å
552	R	87.5	Confident	89.1	Confident	119 Å²	119	49.1 Å²	49.1	45%	0.449	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	0.2	171	-60.6	165.6	-69	155.9	-6.1	113.2	V518 Y519 D550	V518-R552 VanDerWaalsContact O-CZ 3.27Å; V518-R552 PolarHBondContact O-NH1 3.49Å; V518-R552 PolarHBondContact O-NH2 2.98Å; Y519-R552 HydrophobicContact CD1-CB 3.89Å; Y519-R552 HydrophobicContact CE1-CB 3.44Å; Y519-R552 VanDerWaalsContact CE1-CB 3.44Å; D550-R552 VanDerWaalsContact CG-NH2 3.29Å; D550-R552 PolarHBondContact O-N 2.84Å; D550-R552 WeakPolarHBondContact OD1-CB 3.06Å; D550-R552 IonicContact OD1-CZ 2.77Å; D550-R552 PolarHBondContact OD1-N 2.69Å; D550-R552 VanDerWaalsContact OD1-N 3.08Å; D550-R552 IonicContact OD1-NE 2.69Å; D550-R552 PolarHBondContact OD1-NE 2.82Å; D550-R552 IonicContact OD1-NH2 2.66Å; D550-R552 PolarHBondContact OD1-NH2 3.04Å; D550-R552 IonicContact OD2-CZ 2.79Å; D550-R552 IonicContact OD2-NE 2.68Å; D550-R552 IonicContact OD2-NH2 2.64Å; D550-R552 PolarHBondContact OD2-NH2 2.88Å
553	L	87.5	Confident	88.8	Confident	21 Å²	21	51.4 Å²	51.4	11%	0.11	29%	0.286	C	S	.	.	S	Bend	trans	-104.9	151.8	177.4	-61.6	177.3	0	0	0	111.7	Y519 A549 D550 T601 K602 V603	Y519-L553 HydrophobicContact CD1-CD1 4.12Å; Y519-L553 HydrophobicContact CD1-CD2 3.4Å; Y519-L553 VanDerWaalsContact CD1-CD2 3.4Å; Y519-L553 HydrophobicContact CD1-CG 3.48Å; Y519-L553 VanDerWaalsContact CD1-CG 3.48Å; Y519-L553 HydrophobicContact CD2-CD2 4.4Å; Y519-L553 HydrophobicContact CE1-CD2 3.41Å; Y519-L553 VanDerWaalsContact CE1-CD2 3.41Å; Y519-L553 HydrophobicContact CE1-CG 3.88Å; Y519-L553 HydrophobicContact CE2-CD2 4.48Å; Y519-L553 HydrophobicContact CG-CD1 4.29Å; Y519-L553 HydrophobicContact CG-CD2 3.9Å; Y519-L553 HydrophobicContact CG-CG 4.1Å; A549-L553 HydrophobicContact CB-CB 4.44Å; A549-L553 HydrophobicContact CB-CD1 4.44Å; D550-L553 HydrophobicContact CB-CD1 3.97Å; D550-L553 HydrophobicContact CB-CG 4.06Å; D550-L553 WeakPolarHBondContact O-CB 3.44Å; D550-L553 PolarHBondContact O-N 3.03Å; L553-T601 HydrophobicContact CB-CG2 4.37Å; L553-T601 HydrophobicContact CD1-CG2 4.19Å; L553-K602 HydrophobicContact CD2-CD 4.16Å; L553-K602 HydrophobicContact CD2-CG 3.75Å; L553-V603 HydrophobicContact CD1-CG2 3.69Å; L553-V603 HydrophobicContact CD2-CG2 4.21Å
554	T	86	Confident	88.6	Confident	113 Å²	113	56 Å²	56	69%	0.693	32%	0.315	S	S	*	.			trans	-98.8	134.5	168.5	51.8	0	0	0	0	110.2	T601	T554-T601 WeakPolarHBondContact O-CA 3.18Å
555	L	89.1	Confident	88.5	Confident	51 Å²	51	59.9 Å²	59.9	27%	0.267	32%	0.323	S	S	.	.			trans	-98.1	135.6	173.3	-78.8	158.5	0	0	0	111.3	T522 A547 A549 Y557 R600 T601	T522-L555 HydrophobicContact CG2-CD2 3.84Å; A547-L555 HydrophobicContact CB-CD2 4.37Å; A547-L555 VanDerWaalsContact O-CD1 3.25Å; A547-L555 WeakPolarHBondContact O-CD1 3.47Å; A549-L555 HydrophobicContact CB-CD1 3.92Å; A549-L555 HydrophobicContact CB-CD2 4.13Å; A549-L555 HydrophobicContact CB-CG 3.96Å; L555-Y557 HydrophobicContact CB-CD2 4.47Å; L555-Y557 HydrophobicContact CB-CE2 3.74Å; L555-R600 CarbonylContact C-O 3.54Å; L555-R600 WeakPolarHBondContact CA-O 3.26Å; L555-T601 HydrophobicContact CD2-CG2 3.49Å; L555-T601 VanDerWaalsContact CD2-CG2 3.49Å; L555-T601 HydrophobicContact CG-CG2 4.01Å
556	D	90	Very high	88.2	Confident	61 Å²	61	60.5 Å²	60.5	33%	0.326	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157.5	172.7	174.8	46.3	0	0	0	110	A599 R600	D556-A599 CarbonylContact O-C 3.54Å; D556-A599 WeakPolarHBondContact O-CA 3.37Å; D556-R600 HydrophobicContact CB-CG 4.11Å; D556-R600 PolarHBondContact N-O 2.97Å; D556-R600 PolarHBondContact O-N 2.75Å; D556-R600 IonicContact OD2-CZ 3.33Å; D556-R600 IonicContact OD2-NE 2.77Å; D556-R600 PolarHBondContact OD2-NE 2.68Å; D556-R600 IonicContact OD2-NH2 3Å; D556-R600 PolarHBondContact OD2-NH2 3.43Å
557	Y	91.2	Very high	87.4	Confident	24 Å²	24	59.3 Å²	59.3	9%	0.094	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	159.1	-169.6	-65	-115	0	0	0	112.4	C545 A547 L555 P579 N580 V598 A599	C545-Y557 WeakPolarHBondContact O-CE1 3.21Å; A547-Y557 HydrophobicContact CB-CE1 4.32Å; A547-Y557 PolarHBondContact N-OH 3.08Å; A547-Y557 PolarHBondContact O-OH 2.94Å; L555-Y557 HydrophobicContact CB-CD2 4.47Å; L555-Y557 HydrophobicContact CB-CE2 3.74Å; Y557-P579 WeakPolarHBondContact CB-O 3.25Å; Y557-P579 HydrophobicContact CD2-CB 3.61Å; Y557-P579 HydrophobicContact CG-CB 4Å; Y557-N580 HydrophobicContact CD1-CB 3.92Å; Y557-N580 HydrophobicContact CD2-CB 4.21Å; Y557-N580 HydrophobicContact CE1-CB 3.45Å; Y557-N580 VanDerWaalsContact CE1-CB 3.45Å; Y557-N580 HydrophobicContact CE2-CB 3.76Å; Y557-N580 HydrophobicContact CG-CB 4.28Å; Y557-V598 CarbonylContact C-O 3.55Å; Y557-V598 WeakPolarHBondContact CA-O 2.95Å; Y557-V598 WeakPolarHBondContact CB-O 3.24Å; Y557-A599 HydrophobicContact CD1-CB 3.28Å; Y557-A599 HydrophobicContact CD2-CB 4.47Å; Y557-A599 HydrophobicContact CE1-CB 3.24Å; Y557-A599 HydrophobicContact CE2-CB 4.46Å; Y557-A599 HydrophobicContact CG-CB 3.95Å
558	Q	91.1	Very high	86.1	Confident	43 Å²	43	66.3 Å²	66.3	20%	0.201	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153	-175.4	-54.4	-171.1	8.2	0	0	112.7	C597 V598	Q558-C597 CarbonylContact O-C 3.59Å; Q558-C597 WeakPolarHBondContact O-CA 3.4Å; Q558-V598 HydrophobicContact CB-CB 4.45Å; Q558-V598 PolarHBondContact N-O 3.09Å; Q558-V598 PolarHBondContact O-N 2.8Å
559	W	91.5	Very high	84.2	Confident	6 Å²	6	66.3 Å²	66.3	2%	0.023	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.8	-170.8	-69.2	87.4	0	0	0	114.8	L528 L543 C545 I566 F576 P579 L582 I596 C597	L528-W559 HydrophobicContact CD1-CH2 4.31Å; L528-W559 HydrophobicContact CD1-CZ3 3.86Å; L528-W559 HydrophobicContact CD2-CH2 4.03Å; L528-W559 HydrophobicContact CD2-CZ3 4.22Å; L543-W559 HydrophobicContact CB-CH2 3.65Å; L543-W559 HydrophobicContact CB-CZ3 3.55Å; L543-W559 HydrophobicContact CD1-CZ3 4.33Å; L543-W559 WeakPolarHBondContact O-CH2 3.41Å; C545-W559 HydrophobicContact CB-CH2 3.84Å; C545-W559 HydrophobicContact CB-CZ2 3.93Å; W559-I566 HydrophobicContact CB-CD1 4.3Å; W559-I566 PolarHBondContact O-N 2.98Å; W559-F576 HydrophobicContact CB-CD1 4.37Å; W559-F576 HydrophobicContact CB-CE1 3.49Å; W559-F576 VanDerWaalsContact CB-CE1 3.49Å; W559-F576 HydrophobicContact CB-CZ 4.08Å; W559-F576 AromaticContact CD1-CD1 3.4Å; W559-F576 VanDerWaalsContact CD1-CD1 3.4Å; W559-F576 AromaticContact CD1-CE1 3.42Å; W559-F576 VanDerWaalsContact CD1-CE1 3.42Å; W559-F576 HydrophobicContact CD2-CE1 4.37Å; W559-F576 AromaticContact CG-CD1 3.92Å; W559-F576 HydrophobicContact CG-CD1 3.92Å; W559-F576 AromaticContact CG-CE1 3.48Å; W559-F576 HydrophobicContact CG-CE1 3.48Å; W559-F576 VanDerWaalsContact CG-CE1 3.48Å; W559-F576 HydrophobicContact CG-CZ 4.48Å; W559-F576 AromaticContact NE1-CD1 3.9Å; W559-P579 PolarHBondContact NE1-O 2.85Å; W559-L582 HydrophobicContact CB-CD2 4.46Å; W559-L582 HydrophobicContact CD2-CB 3.42Å; W559-L582 VanDerWaalsContact CD2-CB 3.42Å; W559-L582 HydrophobicContact CD2-CD2 4.21Å; W559-L582 HydrophobicContact CD2-CG 4.46Å; W559-L582 HydrophobicContact CE3-CB 3.41Å; W559-L582 VanDerWaalsContact CE3-CB 3.41Å; W559-L582 HydrophobicContact CE3-CD2 3.7Å; W559-L582 HydrophobicContact CE3-CG 4.23Å; W559-L582 HydrophobicContact CG-CB 3.98Å; W559-L582 HydrophobicContact CH2-CB 3.95Å; W559-L582 HydrophobicContact CZ2-CB 3.98Å; W559-L582 HydrophobicContact CZ3-CB 3.68Å; W559-L582 HydrophobicContact CZ3-CD2 4.28Å; W559-I596 VanDerWaalsContact CA-O 3.3Å; W559-I596 WeakPolarHBondContact CA-O 3.45Å; W559-I596 VanDerWaalsContact CE3-O 3.26Å; W559-C597 HydrophobicContact CD2-CB 4.02Å; W559-C597 HydrophobicContact CE3-CB 3.83Å; W559-C597 HydrophobicContact CH2-CB 3.67Å; W559-C597 HydrophobicContact CZ2-CB 3.83Å; W559-C597 HydrophobicContact CZ3-CB 3.66Å
560	Y	91.1	Very high	82.5	Confident	66 Å²	66	69.5 Å²	69.5	26%	0.259	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151	-178.7	-56.6	-105.3	0	0	0	111.4	T564 R565 Y595 I596 V598	Y560-T564 CarbonylContact C-O 3.53Å; Y560-T564 VanDerWaalsContact CA-O 3.23Å; Y560-T564 WeakPolarHBondContact CA-O 3.15Å; Y560-R565 VanDerWaalsContact CD1-CA 3.44Å; Y560-R565 HydrophobicContact CD1-CB 3.86Å; Y560-R565 HydrophobicContact CD1-CG 4.5Å; Y560-R565 HydrophobicContact CE1-CB 3.65Å; Y560-R565 HydrophobicContact CE1-CG 4.13Å; Y560-Y595 VanDerWaalsContact O-CA 3.29Å; Y560-Y595 WeakPolarHBondContact O-CA 2.94Å; Y560-I596 HydrophobicContact CD2-CB 4.45Å; Y560-I596 PolarHBondContact N-O 3.26Å; Y560-I596 PolarHBondContact O-N 2.69Å; Y560-V598 HydrophobicContact CE2-CG2 4.33Å
561	H	91.1	Very high	81	Confident	29 Å²	29	70.7 Å²	70.7	13%	0.134	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.9	171.2	169.8	-119	0	0	0	109.5	T563 T564 I566 Y574 D594 Y595	H561-T563 VanDerWaalsContact C-N 3.27Å; H561-T563 PolarHBondContact O-N 2.79Å; H561-T564 PolarHBondContact N-O 2.79Å; H561-T564 WeakPolarHBondContact O-CB 3.47Å; H561-T564 PolarHBondContact O-N 2.77Å; H561-I566 HydrophobicContact CB-CD1 3.78Å; H561-I566 HydrophobicContact CB-CG1 3.78Å; H561-Y574 PolarHBondContact CE1-OH 2.88Å; H561-Y574 PolarHBondContact ND1-OH 2.93Å; H561-D594 CarbonylContact C-O 3.55Å; H561-D594 VanDerWaalsContact CA-O 3.26Å; H561-D594 WeakPolarHBondContact CA-O 3.2Å; H561-D594 PolarHBondContact CD2-O 2.93Å; H561-D594 VanDerWaalsContact CD2-O 3.28Å; H561-Y595 HydrophobicContact CB-CD1 3.84Å; H561-Y595 HydrophobicContact CB-CE1 3.65Å; H561-Y595 AromaticContact CD2-CD1 3.92Å; H561-Y595 AromaticContact CD2-CE1 3.36Å; H561-Y595 WeakPolarHBondContact CD2-CE1 3.46Å; H561-Y595 AromaticContact CD2-CE2 3.59Å; H561-Y595 AromaticContact CD2-CZ 3.14Å; H561-Y595 PolarHBondContact CD2-OH 3.11Å; H561-Y595 AromaticContact CG-CE1 3.67Å; H561-Y595 AromaticContact CG-CZ 3.89Å; H561-Y595 AromaticContact NE2-CZ 3.72Å; H561-Y595 PolarHBondContact NE2-OH 3.06Å
562	N	84.5	Confident	80.1	Confident	75 Å²	75	75.2 Å²	75.2	40%	0.401	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	49.2	-176.9	-62.4	-14.1	0	0	0	112.4	T564 G593 D594	N562-T564 PolarHBondContact O-N 2.94Å; N562-T564 VanDerWaalsContact O-N 3.15Å; N562-G593 WeakPolarHBondContact OD1-CA 3.37Å; N562-D594 PolarHBondContact N-O 3.07Å; N562-D594 PolarHBondContact OD1-N 3.44Å
563	T	80.2	Confident	79.6	Confident	127 Å²	127	69.9 Å²	69.9	78%	0.779	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	-19.7	-171.6	74.3	0	0	0	0	117.6	H561	H561-T563 VanDerWaalsContact C-N 3.27Å; H561-T563 PolarHBondContact O-N 2.79Å
564	T	85.3	Confident	79.6	Confident	98 Å²	98	70.8 Å²	70.8	60%	0.601	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.1	179.1	-51.7	0	0	0	0	110.9	Y560 H561 N562 I566	Y560-T564 CarbonylContact C-O 3.53Å; Y560-T564 VanDerWaalsContact CA-O 3.23Å; Y560-T564 WeakPolarHBondContact CA-O 3.15Å; H561-T564 PolarHBondContact N-O 2.79Å; H561-T564 WeakPolarHBondContact O-CB 3.47Å; H561-T564 PolarHBondContact O-N 2.77Å; N562-T564 PolarHBondContact O-N 2.94Å; N562-T564 VanDerWaalsContact O-N 3.15Å; T564-I566 PolarHBondContact O-N 2.9Å
565	R	86.1	Confident	79.3	Confident	130 Å²	130	72.4 Å²	72.4	49%	0.491	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	125.1	169.9	-174.5	179.8	-179.6	-112.6	-7.1	108.5	Y560 A567	Y560-R565 VanDerWaalsContact CD1-CA 3.44Å; Y560-R565 HydrophobicContact CD1-CB 3.86Å; Y560-R565 HydrophobicContact CD1-CG 4.5Å; Y560-R565 HydrophobicContact CE1-CB 3.65Å; Y560-R565 HydrophobicContact CE1-CG 4.13Å; R565-A567 PolarHBondContact O-N 2.86Å
566	I	85.5	Confident	78.8	Confident	14 Å²	14	72.1 Å²	72.1	7%	0.072	39%	0.392	C	S	.	.			trans	-76.8	101.3	178.2	-55.1	170.3	0	0	0	107.1	W559 H561 T564 Y574 F576 L582 Y595	W559-I566 HydrophobicContact CB-CD1 4.3Å; W559-I566 PolarHBondContact O-N 2.98Å; H561-I566 HydrophobicContact CB-CD1 3.78Å; H561-I566 HydrophobicContact CB-CG1 3.78Å; T564-I566 PolarHBondContact O-N 2.9Å; I566-Y574 HydrophobicContact CG2-CD2 3.63Å; I566-Y574 HydrophobicContact CG2-CG 3.83Å; I566-F576 HydrophobicContact CB-CZ 3.92Å; I566-F576 HydrophobicContact CG2-CE2 4.28Å; I566-F576 HydrophobicContact CG2-CZ 3.68Å; I566-L582 HydrophobicContact CD1-CD1 4.17Å; I566-L582 HydrophobicContact CD1-CD2 3.48Å; I566-L582 VanDerWaalsContact CD1-CD2 3.48Å; I566-Y595 HydrophobicContact CD1-CD1 4.18Å; I566-Y595 HydrophobicContact CD1-CE1 4.28Å
567	A	71.2	Confident	78.3	Confident	50 Å²	50	73.2 Å²	73.2	41%	0.413	40%	0.402	S	S	.	.			trans	-67.8	136.6	174.3	0	0	0	0	0	110.5	R565 A569	R565-A567 PolarHBondContact O-N 2.86Å; A567-A569 VanDerWaalsContact C-N 3.27Å; A567-A569 VanDerWaalsContact CB-O 3.26Å; A567-A569 WeakPolarHBondContact CB-O 3.43Å; A567-A569 PolarHBondContact O-N 2.86Å
568	E	63.2	Low	77.4	Confident	157 Å²	157	77.1 Å²	77.1	73%	0.734	42%	0.421	S	S	*	.	S	Bend	trans	-64.2	-36	174.3	-67.7	173.5	106.1	0	0	111.3	F576	E568-F576 HydrophobicContact CG-CD2 3.84Å; E568-F576 HydrophobicContact CG-CE2 3.87Å
569	A	51.6	Low	77.1	Confident	88 Å²	88	78 Å²	78	73%	0.727	43%	0.43	S	S	*	.	S	Bend	trans	-87.6	117.4	166	0	0	0	0	0	110.4	A567	A567-A569 VanDerWaalsContact C-N 3.27Å; A567-A569 VanDerWaalsContact CB-O 3.26Å; A567-A569 WeakPolarHBondContact CB-O 3.43Å; A567-A569 PolarHBondContact O-N 2.86Å
570	G	54.4	Low	77	Confident	85 Å²	85	78.3 Å²	78.3	88%	0.876	43%	0.433	S	S	*	.	S	Bend	trans	135.3	-15	165	0	0	0	0	0	117.3
571	S	57.5	Low	77	Confident	42 Å²	42	79.1 Å²	79.1	29%	0.294	44%	0.435	S	S	.	.			trans	-132.6	115.7	178.6	179.8	0	0	0	0	112.9	S573 Y574	S571-S573 PolarHBondContact O-N 2.76Å; S571-S573 PolarHBondContact OG-N 2.92Å; S571-Y574 VanDerWaalsContact OG-CD2 3.23Å; S571-Y574 WeakPolarHBondContact OG-CD2 3.35Å
572	Q	66.5	Low	76.9	Confident	180 Å²	180	77.7 Å²	77.7	84%	0.841	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-10.8	175.2	-66.2	-179.2	-13.4	0	0	114.2
573	S	77.9	Confident	77	Confident	7 Å²	7	74.3 Å²	74.3	5%	0.049	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-3.6	-167.4	-45.5	0	0	0	0	114.4	S571 I584 T585 R590 H591	S571-S573 PolarHBondContact O-N 2.76Å; S571-S573 PolarHBondContact OG-N 2.92Å; S573-I584 WeakPolarHBondContact O-CA 3.48Å; S573-T585 WeakPolarHBondContact CA-O 3.23Å; S573-T585 PolarHBondContact O-N 2.78Å; S573-R590 PolarHBondContact OG-NH2 3.12Å; S573-H591 WeakPolarHBondContact CB-NE2 3.22Å; S573-H591 PolarHBondContact OG-NE2 3.04Å; S573-H591 VanDerWaalsContact OG-NE2 3.14Å
574	Y	85.7	Confident	77.4	Confident	41 Å²	41	68.3 Å²	68.3	16%	0.161	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.6	175.6	-55.9	-54.5	0	0	0	110.3	H561 I566 S571 L582 I584 Y595	H561-Y574 PolarHBondContact CE1-OH 2.88Å; H561-Y574 PolarHBondContact ND1-OH 2.93Å; I566-Y574 HydrophobicContact CG2-CD2 3.63Å; I566-Y574 HydrophobicContact CG2-CG 3.83Å; S571-Y574 VanDerWaalsContact OG-CD2 3.23Å; S571-Y574 WeakPolarHBondContact OG-CD2 3.35Å; Y574-L582 HydrophobicContact CD1-CD1 4.39Å; Y574-I584 HydrophobicContact CD1-CB 4.47Å; Y574-I584 HydrophobicContact CD1-CG1 3.97Å; Y574-I584 HydrophobicContact CD1-CG2 4.26Å; Y574-I584 HydrophobicContact CE1-CG1 4.07Å; Y574-I584 HydrophobicContact CE1-CG2 4.11Å; Y574-Y595 HydrophobicContact CE1-CE1 4.11Å
575	R	80.7	Confident	77.1	Confident	146 Å²	146	64.2 Å²	64.2	55%	0.551	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.5	-179.6	-55.1	-169.6	-166.3	-148.4	-4.8	111.6	V583 T585	R575-V583 PolarHBondContact N-O 2.98Å; R575-V583 PolarHBondContact O-N 3.06Å; R575-T585 HydrophobicContact CG-CG2 3.97Å; R575-T585 PolarHBondContact NE-OG1 3.07Å
576	F	78.4	Confident	76.9	Confident	45 Å²	45	61.4 Å²	61.4	20%	0.197	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	76.7	178.1	-51.1	-72.7	0	0	0	111.3	W559 I566 E568 Q578 R581 L582	W559-F576 HydrophobicContact CB-CD1 4.37Å; W559-F576 HydrophobicContact CB-CE1 3.49Å; W559-F576 VanDerWaalsContact CB-CE1 3.49Å; W559-F576 HydrophobicContact CB-CZ 4.08Å; W559-F576 AromaticContact CD1-CD1 3.4Å; W559-F576 VanDerWaalsContact CD1-CD1 3.4Å; W559-F576 AromaticContact CD1-CE1 3.42Å; W559-F576 VanDerWaalsContact CD1-CE1 3.42Å; W559-F576 HydrophobicContact CD2-CE1 4.37Å; W559-F576 AromaticContact CG-CD1 3.92Å; W559-F576 HydrophobicContact CG-CD1 3.92Å; W559-F576 AromaticContact CG-CE1 3.48Å; W559-F576 HydrophobicContact CG-CE1 3.48Å; W559-F576 VanDerWaalsContact CG-CE1 3.48Å; W559-F576 HydrophobicContact CG-CZ 4.48Å; W559-F576 AromaticContact NE1-CD1 3.9Å; I566-F576 HydrophobicContact CB-CZ 3.92Å; I566-F576 HydrophobicContact CG2-CE2 4.28Å; I566-F576 HydrophobicContact CG2-CZ 3.68Å; E568-F576 HydrophobicContact CG-CD2 3.84Å; E568-F576 HydrophobicContact CG-CE2 3.87Å; F576-Q578 CarbonylContact C-O 3.49Å; F576-Q578 CarbonylContact O-C 3.51Å; F576-Q578 PolarHBondContact O-N 3.12Å; F576-R581 WeakPolarHBondContact CA-O 3.34Å; F576-L582 HydrophobicContact CD1-CB 4.05Å; F576-L582 HydrophobicContact CD1-CD1 4.15Å; F576-L582 HydrophobicContact CE1-CB 3.88Å; F576-L582 HydrophobicContact CE1-CD1 3.53Å; F576-L582 HydrophobicContact CE1-CG 4.15Å; F576-L582 HydrophobicContact CZ-CD1 4.08Å
577	P	79.1	Confident	76.8	Confident	84 Å²	84	60.7 Å²	60.7	55%	0.545	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-20	-172.5	-23.2	37.3	0	0	0	114.5	R581 V583	P577-R581 WeakPolarHBondContact CD-O 3.34Å; P577-V583 HydrophobicContact CG-CB 4.06Å; P577-V583 HydrophobicContact CG-CG2 3.6Å
578	Q	73.5	Confident	77.3	Confident	107 Å²	107	62.1 Å²	62.1	50%	0.5	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.8	150.2	-79.4	176	-3.9	0	0	104.9	F576 N580 R581	F576-Q578 CarbonylContact C-O 3.49Å; F576-Q578 CarbonylContact O-C 3.51Å; F576-Q578 PolarHBondContact O-N 3.12Å; Q578-N580 WeakPolarHBondContact CB-OD1 3.31Å; Q578-N580 PolarHBondContact O-N 2.8Å; Q578-N580 VanDerWaalsContact O-N 3.15Å; Q578-N580 PolarHBondContact OE1-ND2 2.82Å; Q578-N580 PolarHBondContact OE1-OD1 2.97Å; Q578-R581 HydrophobicContact CB-CB 4.43Å; Q578-R581 CarbonylContact O-C 3.59Å; Q578-R581 PolarHBondContact O-N 3.49Å; Q578-R581 VanDerWaalsContact O-O 3.11Å
579	P	84.4	Confident	77.8	Confident	60 Å²	60	57.3 Å²	57.3	39%	0.39	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-37.9	171.9	-29.4	37.7	0	0	0	111.8	Y557 W559 R581	Y557-P579 WeakPolarHBondContact CB-O 3.25Å; Y557-P579 HydrophobicContact CD2-CB 3.61Å; Y557-P579 HydrophobicContact CG-CB 4Å; W559-P579 PolarHBondContact NE1-O 2.85Å; P579-R581 PolarHBondContact O-N 2.85Å
580	N	89.3	Confident	79.2	Confident	14 Å²	14	60.9 Å²	60.9	8%	0.075	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	0.9	176.6	83.2	-1.7	0	0	0	115.7	C545 Y557 Q578	C545-N580 CarbonylContact C-O 3.5Å; C545-N580 PolarHBondContact N-O 2.94Å; C545-N580 WeakPolarHBondContact O-CA 3.47Å; C545-N580 VanDerWaalsContact O-CB 3.29Å; C545-N580 WeakPolarHBondContact O-CB 3.31Å; Y557-N580 HydrophobicContact CD1-CB 3.92Å; Y557-N580 HydrophobicContact CD2-CB 4.21Å; Y557-N580 HydrophobicContact CE1-CB 3.45Å; Y557-N580 VanDerWaalsContact CE1-CB 3.45Å; Y557-N580 HydrophobicContact CE2-CB 3.76Å; Y557-N580 HydrophobicContact CG-CB 4.28Å; Q578-N580 WeakPolarHBondContact CB-OD1 3.31Å; Q578-N580 PolarHBondContact O-N 2.8Å; Q578-N580 VanDerWaalsContact O-N 3.15Å; Q578-N580 PolarHBondContact OE1-ND2 2.82Å; Q578-N580 PolarHBondContact OE1-OD1 2.97Å
581	R	90.1	Very high	80.6	Confident	82 Å²	82	57.1 Å²	57.1	31%	0.309	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	107.1	-168	179.9	176.6	-178.6	173.8	-0	113.4	H542 L543 V544 F576 P577 Q578 P579 V583	H542-R581 PolarHBondContact CD2-NH2 2.91Å; H542-R581 PolarHBondContact CE1-NH2 3Å; H542-R581 PolarHBondContact NE2-NH2 2.91Å; H542-R581 VanDerWaalsContact NE2-NH2 3.14Å; L543-R581 CarbonylContact O-C 3.45Å; L543-R581 VanDerWaalsContact O-CA 3.23Å; L543-R581 WeakPolarHBondContact O-CA 3.38Å; V544-R581 HydrophobicContact CG2-CG 4.03Å; F576-R581 WeakPolarHBondContact CA-O 3.34Å; P577-R581 WeakPolarHBondContact CD-O 3.34Å; Q578-R581 HydrophobicContact CB-CB 4.43Å; Q578-R581 CarbonylContact O-C 3.59Å; Q578-R581 PolarHBondContact O-N 3.49Å; Q578-R581 VanDerWaalsContact O-O 3.11Å; P579-R581 PolarHBondContact O-N 2.85Å; R581-V583 HydrophobicContact CG-CG2 3.95Å
582	L	90	Very high	82	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	136.7	164.4	167.3	61.4	0	0	0	110.5	L543 W559 I566 Y574 F576 Y595	L543-L582 HydrophobicContact CB-CB 4.18Å; L543-L582 HydrophobicContact CD1-CB 4.35Å; L543-L582 HydrophobicContact CD1-CD2 3.62Å; L543-L582 HydrophobicContact CD1-CG 3.96Å; L543-L582 PolarHBondContact N-O 2.79Å; L543-L582 PolarHBondContact O-N 3.27Å; L543-L582 VanDerWaalsContact O-N 3.09Å; W559-L582 HydrophobicContact CB-CD2 4.46Å; W559-L582 HydrophobicContact CD2-CB 3.42Å; W559-L582 VanDerWaalsContact CD2-CB 3.42Å; W559-L582 HydrophobicContact CD2-CD2 4.21Å; W559-L582 HydrophobicContact CD2-CG 4.46Å; W559-L582 HydrophobicContact CE3-CB 3.41Å; W559-L582 VanDerWaalsContact CE3-CB 3.41Å; W559-L582 HydrophobicContact CE3-CD2 3.7Å; W559-L582 HydrophobicContact CE3-CG 4.23Å; W559-L582 HydrophobicContact CG-CB 3.98Å; W559-L582 HydrophobicContact CH2-CB 3.95Å; W559-L582 HydrophobicContact CZ2-CB 3.98Å; W559-L582 HydrophobicContact CZ3-CB 3.68Å; W559-L582 HydrophobicContact CZ3-CD2 4.28Å; I566-L582 HydrophobicContact CD1-CD1 4.17Å; I566-L582 HydrophobicContact CD1-CD2 3.48Å; I566-L582 VanDerWaalsContact CD1-CD2 3.48Å; Y574-L582 HydrophobicContact CD1-CD1 4.39Å; F576-L582 HydrophobicContact CD1-CB 4.05Å; F576-L582 HydrophobicContact CD1-CD1 4.15Å; F576-L582 HydrophobicContact CE1-CB 3.88Å; F576-L582 HydrophobicContact CE1-CD1 3.53Å; F576-L582 HydrophobicContact CE1-CG 4.15Å; F576-L582 HydrophobicContact CZ-CD1 4.08Å; L582-Y595 HydrophobicContact CD2-CD1 3.44Å; L582-Y595 VanDerWaalsContact CD2-CD1 3.44Å; L582-Y595 HydrophobicContact CD2-CE1 3.92Å; L582-Y595 HydrophobicContact CD2-CG 4.36Å
583	V	86.6	Confident	83.1	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.9	171.8	-178.5	0	0	0	0	109.7	K540 F541 H542 R575 P577 R581 T585	K540-V583 HydrophobicContact CB-CG1 4.08Å; K540-V583 HydrophobicContact CG-CG1 4.38Å; F541-V583 WeakPolarHBondContact O-CA 3.42Å; H542-V583 WeakPolarHBondContact ND1-CG1 3.48Å; H542-V583 WeakPolarHBondContact ND1-CG2 3.45Å; R575-V583 PolarHBondContact N-O 2.98Å; R575-V583 PolarHBondContact O-N 3.06Å; P577-V583 HydrophobicContact CG-CB 4.06Å; P577-V583 HydrophobicContact CG-CG2 3.6Å; R581-V583 HydrophobicContact CG-CG2 3.95Å; V583-T585 HydrophobicContact CG1-CG2 3.8Å
584	I	88.6	Confident	83.7	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.6	172.5	-54.3	159.9	0	0	0	106.2	F541 L543 S573 Y574 P587 H591 Y595 L612	F541-I584 HydrophobicContact CB-CB 4.38Å; F541-I584 HydrophobicContact CB-CD1 4.22Å; F541-I584 HydrophobicContact CD1-CD1 4.04Å; F541-I584 PolarHBondContact N-O 2.98Å; F541-I584 PolarHBondContact O-N 3.4Å; F541-I584 VanDerWaalsContact O-N 3.14Å; L543-I584 HydrophobicContact CD1-CD1 4.49Å; S573-I584 WeakPolarHBondContact O-CA 3.48Å; Y574-I584 HydrophobicContact CD1-CB 4.47Å; Y574-I584 HydrophobicContact CD1-CG1 3.97Å; Y574-I584 HydrophobicContact CD1-CG2 4.26Å; Y574-I584 HydrophobicContact CE1-CG1 4.07Å; Y574-I584 HydrophobicContact CE1-CG2 4.11Å; I584-P587 HydrophobicContact CG2-CB 4.05Å; I584-H591 HydrophobicContact CG2-CB 4.11Å; I584-Y595 HydrophobicContact CD1-CE1 3.79Å; I584-Y595 HydrophobicContact CD1-CE2 3.77Å; I584-Y595 VanDerWaalsContact CD1-OH 3.26Å; I584-Y595 WeakPolarHBondContact CD1-OH 3.35Å; I584-Y595 HydrophobicContact CG1-CE1 4.2Å; I584-L612 HydrophobicContact CD1-CD2 3.34Å
585	T	79.7	Confident	84.1	Confident	12 Å²	12	54.1 Å²	54.1	7%	0.074	27%	0.268	C	S	.	.			trans	-116	137.3	-174.2	58.7	0	0	0	0	111.8	S573 R575 V583	S573-T585 WeakPolarHBondContact CA-O 3.23Å; S573-T585 PolarHBondContact O-N 2.78Å; R575-T585 HydrophobicContact CG-CG2 3.97Å; R575-T585 PolarHBondContact NE-OG1 3.07Å; V583-T585 HydrophobicContact CG1-CG2 3.8Å
586	D	80.5	Confident	84.7	Confident	71 Å²	71	49.9 Å²	49.9	38%	0.38	26%	0.256	S	S	.	.	S	Bend	trans	46.7	55.1	-166.5	-157.2	53	0	0	0	113.5	G538 R588 H591	G538-D586 WeakPolarHBondContact CA-OD1 3.3Å; D586-R588 VanDerWaalsContact CG-NH2 3.33Å; D586-R588 PolarHBondContact O-N 2.98Å; D586-R588 IonicContact OD1-CZ 2.76Å; D586-R588 IonicContact OD1-NE 3.99Å; D586-R588 PolarHBondContact OD1-NE 3.49Å; D586-R588 IonicContact OD1-NH2 3.86Å; D586-R588 PolarHBondContact OD1-NH2 2.9Å; D586-R588 IonicContact OD2-CZ 2.64Å; D586-R588 IonicContact OD2-NE 2.78Å; D586-R588 PolarHBondContact OD2-NE 3.05Å; D586-R588 IonicContact OD2-NH2 2.6Å; D586-R588 PolarHBondContact OD2-NH2 2.82Å; D586-R588 VanDerWaalsContact OD2-NH2 3.08Å; D586-H591 PolarHBondContact O-CE1 2.66Å
587	P	83.7	Confident	85.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.			trans	-62.9	102.6	174.3	27.5	-32.5	0	0	0	108.7	I535 A537 G538 S539 I584 H591 V614	I535-P587 HydrophobicContact CD1-CB 3.88Å; I535-P587 HydrophobicContact CD1-CG 3.53Å; A537-P587 WeakPolarHBondContact CA-O 3.22Å; A537-P587 VanDerWaalsContact CB-O 3.25Å; A537-P587 WeakPolarHBondContact CB-O 3.31Å; G538-P587 PolarHBondContact N-O 2.9Å; S539-P587 WeakPolarHBondContact O-CD 3.37Å; S539-P587 WeakPolarHBondContact O-CG 3.37Å; I584-P587 HydrophobicContact CG2-CB 4.05Å; P587-H591 VanDerWaalsContact CA-ND1 3.31Å; P587-H591 WeakPolarHBondContact CA-ND1 3.27Å; P587-H591 HydrophobicContact CB-CB 4.27Å; P587-V614 HydrophobicContact CB-CG1 4.2Å; P587-V614 HydrophobicContact CB-CG2 4.32Å; P587-V614 VanDerWaalsContact O-CG1 3.24Å; P587-V614 WeakPolarHBondContact O-CG1 3.42Å
588	R	82.8	Confident	86.1	Confident	79 Å²	79	45.8 Å²	45.8	30%	0.298	23%	0.233	S	C	.	.			trans	-80.5	176.7	156.7	-53.7	-59.4	166.1	168.6	-3.6	109.7	D586 R590 H591 D616	D586-R588 VanDerWaalsContact CG-NH2 3.33Å; D586-R588 PolarHBondContact O-N 2.98Å; D586-R588 IonicContact OD1-CZ 2.76Å; D586-R588 IonicContact OD1-NE 3.99Å; D586-R588 PolarHBondContact OD1-NE 3.49Å; D586-R588 IonicContact OD1-NH2 3.86Å; D586-R588 PolarHBondContact OD1-NH2 2.9Å; D586-R588 IonicContact OD2-CZ 2.64Å; D586-R588 IonicContact OD2-NE 2.78Å; D586-R588 PolarHBondContact OD2-NE 3.05Å; D586-R588 IonicContact OD2-NH2 2.6Å; D586-R588 PolarHBondContact OD2-NH2 2.82Å; D586-R588 VanDerWaalsContact OD2-NH2 3.08Å; R588-R590 PolarHBondContact O-N 3.29Å; R588-H591 PolarHBondContact N-CE1 2.82Å; R588-H591 VanDerWaalsContact N-CE1 3.35Å; R588-H591 PolarHBondContact N-ND1 2.97Å; R588-H591 PolarHBondContact O-N 2.77Å; R588-H591 PolarHBondContact O-ND1 2.64Å; R588-D616 WeakPolarHBondContact CA-OD2 3.41Å; R588-D616 WeakPolarHBondContact CD-OD2 3.46Å; R588-D616 IonicContact CZ-OD1 3.71Å; R588-D616 IonicContact NH1-OD1 3.69Å; R588-D616 PolarHBondContact NH1-OD1 2.96Å; R588-D616 IonicContact NH1-OD2 3.92Å
589	G	72	Confident	86.9	Confident	57 Å²	57	40.7 Å²	40.7	59%	0.588	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-17.3	179.9	0	0	0	0	0	116.5	H591	G589-H591 VanDerWaalsContact C-N 3.35Å; G589-H591 PolarHBondContact O-N 2.84Å
590	R	82.1	Confident	87.3	Confident	163 Å²	163	43.3 Å²	43.3	62%	0.615	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-0.8	179.4	73.2	-176.8	-175.6	-135.3	-6.3	116.9	S573 R588	S573-R590 PolarHBondContact OG-NH2 3.12Å; R588-R590 PolarHBondContact O-N 3.29Å
591	H	83.4	Confident	87.3	Confident	5 Å²	5	43.6 Å²	43.6	2%	0.023	21%	0.213	C	C	.	.			trans	-111.9	27.6	-170.4	-49.2	94.2	0	0	0	114.8	S573 I584 D586 P587 R588 G589 Y595	S573-H591 WeakPolarHBondContact CB-NE2 3.22Å; S573-H591 PolarHBondContact OG-NE2 3.04Å; S573-H591 VanDerWaalsContact OG-NE2 3.14Å; I584-H591 HydrophobicContact CG2-CB 4.11Å; D586-H591 PolarHBondContact O-CE1 2.66Å; P587-H591 VanDerWaalsContact CA-ND1 3.31Å; P587-H591 WeakPolarHBondContact CA-ND1 3.27Å; P587-H591 HydrophobicContact CB-CB 4.27Å; R588-H591 PolarHBondContact N-CE1 2.82Å; R588-H591 VanDerWaalsContact N-CE1 3.35Å; R588-H591 PolarHBondContact N-ND1 2.97Å; R588-H591 PolarHBondContact O-N 2.77Å; R588-H591 PolarHBondContact O-ND1 2.64Å; G589-H591 VanDerWaalsContact C-N 3.35Å; G589-H591 PolarHBondContact O-N 2.84Å; H591-Y595 PolarHBondContact O-OH 2.69Å
592	H	87	Confident	87.2	Confident	122 Å²	122	45.2 Å²	45.2	57%	0.565	22%	0.223	S	C	*	.			trans	-83.1	123.4	178.7	174.8	47	0	0	0	110.4	L612	H592-L612 PolarHBondContact ND1-O 2.91Å
593	G	88.9	Confident	87.1	Confident	9 Å²	9	47.5 Å²	47.5	9%	0.093	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-167.9	-176.6	0	0	0	0	0	116	N562 T611 L612	N562-G593 WeakPolarHBondContact OD1-CA 3.37Å; G593-T611 CarbonylContact O-C 3.56Å; G593-T611 WeakPolarHBondContact O-CA 3.39Å; G593-L612 PolarHBondContact O-N 2.86Å
594	D	92.1	Very high	87.3	Confident	76 Å²	76	48.9 Å²	48.9	41%	0.406	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149.3	-174.4	-64.3	-44.6	0	0	0	112.6	H561 N562 M610 T611	H561-D594 CarbonylContact C-O 3.55Å; H561-D594 VanDerWaalsContact CA-O 3.26Å; H561-D594 WeakPolarHBondContact CA-O 3.2Å; H561-D594 PolarHBondContact CD2-O 2.93Å; H561-D594 VanDerWaalsContact CD2-O 3.28Å; N562-D594 PolarHBondContact N-O 3.07Å; N562-D594 PolarHBondContact OD1-N 3.44Å; D594-M610 CarbonylContact C-O 3.54Å; D594-M610 WeakPolarHBondContact CA-O 3.34Å; D594-T611 WeakPolarHBondContact OD1-CB 3.37Å; D594-T611 WeakPolarHBondContact OD1-CG2 3.28Å; D594-T611 PolarHBondContact OD1-OG1 2.89Å
595	Y	92.8	Very high	87.5	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.9	-166.9	-64.5	-91.5	0	0	0	114.6	L543 Y560 H561 I566 Y574 L582 I584 H591 E609 M610 L612	L543-Y595 HydrophobicContact CD1-CD1 3.85Å; L543-Y595 HydrophobicContact CD1-CD2 4.08Å; L543-Y595 HydrophobicContact CD1-CG 3.58Å; Y560-Y595 VanDerWaalsContact O-CA 3.29Å; Y560-Y595 WeakPolarHBondContact O-CA 2.94Å; H561-Y595 HydrophobicContact CB-CD1 3.84Å; H561-Y595 HydrophobicContact CB-CE1 3.65Å; H561-Y595 AromaticContact CD2-CD1 3.92Å; H561-Y595 AromaticContact CD2-CE1 3.36Å; H561-Y595 WeakPolarHBondContact CD2-CE1 3.46Å; H561-Y595 AromaticContact CD2-CE2 3.59Å; H561-Y595 AromaticContact CD2-CZ 3.14Å; H561-Y595 PolarHBondContact CD2-OH 3.11Å; H561-Y595 AromaticContact CG-CE1 3.67Å; H561-Y595 AromaticContact CG-CZ 3.89Å; H561-Y595 AromaticContact NE2-CZ 3.72Å; H561-Y595 PolarHBondContact NE2-OH 3.06Å; I566-Y595 HydrophobicContact CD1-CD1 4.18Å; I566-Y595 HydrophobicContact CD1-CE1 4.28Å; Y574-Y595 HydrophobicContact CE1-CE1 4.11Å; L582-Y595 HydrophobicContact CD2-CD1 3.44Å; L582-Y595 VanDerWaalsContact CD2-CD1 3.44Å; L582-Y595 HydrophobicContact CD2-CE1 3.92Å; L582-Y595 HydrophobicContact CD2-CG 4.36Å; I584-Y595 HydrophobicContact CD1-CE1 3.79Å; I584-Y595 HydrophobicContact CD1-CE2 3.77Å; I584-Y595 VanDerWaalsContact CD1-OH 3.26Å; I584-Y595 WeakPolarHBondContact CD1-OH 3.35Å; I584-Y595 HydrophobicContact CG1-CE1 4.2Å; H591-Y595 PolarHBondContact O-OH 2.69Å; Y595-E609 CarbonylContact O-C 3.45Å; Y595-E609 VanDerWaalsContact O-CA 3.26Å; Y595-E609 WeakPolarHBondContact O-CA 3.1Å; Y595-M610 PolarHBondContact N-O 3.36Å; Y595-M610 PolarHBondContact O-N 2.97Å; Y595-L612 HydrophobicContact CE2-CB 4.34Å
596	I	93.8	Very high	88.1	Confident	57 Å²	57	54 Å²	54	29%	0.292	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.7	-177.7	-57.4	164.3	0	0	0	111.3	W559 Y560 S608 E609	W559-I596 VanDerWaalsContact CA-O 3.3Å; W559-I596 WeakPolarHBondContact CA-O 3.45Å; W559-I596 VanDerWaalsContact CE3-O 3.26Å; Y560-I596 HydrophobicContact CD2-CB 4.45Å; Y560-I596 PolarHBondContact N-O 3.26Å; Y560-I596 PolarHBondContact O-N 2.69Å; I596-S608 CarbonylContact C-O 3.54Å; I596-S608 VanDerWaalsContact CA-O 3.31Å; I596-S608 WeakPolarHBondContact CA-O 3.24Å; I596-S608 WeakPolarHBondContact CG2-O 3.3Å; I596-E609 HydrophobicContact CG1-CB 4.19Å; I596-E609 HydrophobicContact CG1-CG 3.95Å
597	C	92.9	Very high	88.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.5	177.2	169.4	0	0	0	0	113.7	L528 C545 Q558 W559 S607 S608	L528-C597 HydrophobicContact CD1-CB 4.32Å; C545-C597 HydrophobicContact CB-CB 3.49Å; C545-C597 VanDerWaalsContact CB-CB 3.49Å; C545-C597 WeakPolarHBondContact CB-SG 3.39Å; C545-C597 WeakPolarHBondContact SG-CB 3.45Å; C545-C597 CovalentContact SG-SG 2.02Å; C545-C597 PolarHBondContact SG-SG 3.47Å; Q558-C597 CarbonylContact O-C 3.59Å; Q558-C597 WeakPolarHBondContact O-CA 3.4Å; W559-C597 HydrophobicContact CD2-CB 4.02Å; W559-C597 HydrophobicContact CE3-CB 3.83Å; W559-C597 HydrophobicContact CH2-CB 3.67Å; W559-C597 HydrophobicContact CZ2-CB 3.83Å; W559-C597 HydrophobicContact CZ3-CB 3.66Å; C597-S607 CarbonylContact O-C 3.34Å; C597-S607 WeakPolarHBondContact O-CA 3.44Å; C597-S607 WeakPolarHBondContact O-CB 3.2Å; C597-S608 PolarHBondContact N-O 3.29Å; C597-S608 PolarHBondContact O-N 2.82Å
598	V	93.6	Very high	89.1	Confident	42 Å²	42	55.3 Å²	55.3	26%	0.255	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.4	169.4	-173.9	0	0	0	0	110.2	Y557 Q558 Y560 V606	Y557-V598 CarbonylContact C-O 3.55Å; Y557-V598 WeakPolarHBondContact CA-O 2.95Å; Y557-V598 WeakPolarHBondContact CB-O 3.24Å; Q558-V598 HydrophobicContact CB-CB 4.45Å; Q558-V598 PolarHBondContact N-O 3.09Å; Q558-V598 PolarHBondContact O-N 2.8Å; Y560-V598 HydrophobicContact CE2-CG2 4.33Å; V598-V606 CarbonylContact C-O 3.53Å; V598-V606 VanDerWaalsContact CA-O 3.29Å; V598-V606 WeakPolarHBondContact CA-O 3.11Å; V598-V606 WeakPolarHBondContact CG1-O 3.36Å
599	A	91.5	Very high	89.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.4	173	0	0	0	0	0	111	A547 D556 Y557 S605 V606	A547-A599 HydrophobicContact CB-CB 3.85Å; D556-A599 CarbonylContact O-C 3.54Å; D556-A599 WeakPolarHBondContact O-CA 3.37Å; Y557-A599 HydrophobicContact CD1-CB 3.28Å; Y557-A599 HydrophobicContact CD2-CB 4.47Å; Y557-A599 HydrophobicContact CE1-CB 3.24Å; Y557-A599 HydrophobicContact CE2-CB 4.46Å; Y557-A599 HydrophobicContact CG-CB 3.95Å; A599-S605 CarbonylContact O-C 3.59Å; A599-S605 WeakPolarHBondContact O-CA 3.36Å; A599-S605 WeakPolarHBondContact O-CB 3.26Å; A599-V606 HydrophobicContact CB-CG2 3.84Å; A599-V606 PolarHBondContact N-O 2.84Å; A599-V606 PolarHBondContact O-N 2.92Å
600	R	92.2	Very high	90.5	Very high	115 Å²	115	55.1 Å²	55.1	43%	0.434	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	158.3	-178.7	64.6	176.4	-179.5	159.4	3.5	113.7	L555 D556 D604	L555-R600 CarbonylContact C-O 3.54Å; L555-R600 WeakPolarHBondContact CA-O 3.26Å; D556-R600 HydrophobicContact CB-CG 4.11Å; D556-R600 PolarHBondContact N-O 2.97Å; D556-R600 PolarHBondContact O-N 2.75Å; D556-R600 IonicContact OD2-CZ 3.33Å; D556-R600 IonicContact OD2-NE 2.77Å; D556-R600 PolarHBondContact OD2-NE 2.68Å; D556-R600 IonicContact OD2-NH2 3Å; D556-R600 PolarHBondContact OD2-NH2 3.43Å; R600-D604 CarbonylContact C-O 3.6Å; R600-D604 WeakPolarHBondContact CA-O 3.44Å
601	T	90	Very high	90.9	Very high	20 Å²	20	49.2 Å²	49.2	12%	0.123	26%	0.263	C	S	.	.			trans	-117.9	-168.6	170.1	67.8	0	0	0	0	111	T522 A549 L553 T554 L555 V603 D604	T522-T601 WeakPolarHBondContact OG1-CG2 3.33Å; A549-T601 HydrophobicContact CB-CG2 3.81Å; L553-T601 HydrophobicContact CB-CG2 4.37Å; L553-T601 HydrophobicContact CD1-CG2 4.19Å; T554-T601 WeakPolarHBondContact O-CA 3.18Å; L555-T601 HydrophobicContact CD2-CG2 3.49Å; L555-T601 VanDerWaalsContact CD2-CG2 3.49Å; L555-T601 HydrophobicContact CG-CG2 4.01Å; T601-V603 PolarHBondContact O-N 3.1Å; T601-V603 VanDerWaalsContact OG1-CG2 3.22Å; T601-V603 WeakPolarHBondContact OG1-CG2 3.44Å; T601-V603 PolarHBondContact OG1-N 3Å; T601-D604 WeakPolarHBondContact CG2-OD1 3.36Å; T601-D604 PolarHBondContact N-O 3.29Å; T601-D604 PolarHBondContact OG1-N 2.88Å; T601-D604 PolarHBondContact OG1-OD1 2.79Å
602	K	87.6	Confident	91.3	Very high	116 Å²	116	49 Å²	49	50%	0.504	26%	0.261	S	S	.	.	S	Bend	trans	-70	1.6	165.1	63.7	164.2	179	178.4	0	114.2	A440 Y519 L553	A440-K602 HydrophobicContact CB-CD 4.44Å; Y519-K602 PolarHBondContact OH-NZ 2.82Å; L553-K602 HydrophobicContact CD2-CD 4.16Å; L553-K602 HydrophobicContact CD2-CG 3.75Å
603	V	88.3	Confident	91.3	Very high	49 Å²	49	46.1 Å²	46.1	30%	0.297	25%	0.25	S	C	.	.	S	Bend	trans	-141.8	-22.5	-174.1	-75.4	0	0	0	0	116.2	V442 L553 T601	V442-V603 HydrophobicContact CG1-CB 3.99Å; V442-V603 HydrophobicContact CG1-CG2 3.47Å; V442-V603 VanDerWaalsContact CG1-CG2 3.47Å; L553-V603 HydrophobicContact CD1-CG2 3.69Å; L553-V603 HydrophobicContact CD2-CG2 4.21Å; T601-V603 PolarHBondContact O-N 3.1Å; T601-V603 VanDerWaalsContact OG1-CG2 3.22Å; T601-V603 WeakPolarHBondContact OG1-CG2 3.44Å; T601-V603 PolarHBondContact OG1-N 3Å
604	D	90	Very high	91.1	Very high	32 Å²	32	46.8 Å²	46.8	17%	0.171	25%	0.252	C	S	.	.			trans	-156.5	-179.4	-175.7	65.5	-4.7	0	0	0	116	T522 R600 T601	T522-D604 WeakPolarHBondContact CB-OD1 3.18Å; T522-D604 VanDerWaalsContact CB-OD2 3.29Å; T522-D604 WeakPolarHBondContact CB-OD2 3.32Å; T522-D604 PolarHBondContact N-OD2 3.34Å; T522-D604 VanDerWaalsContact OG1-CG 3.29Å; T522-D604 PolarHBondContact OG1-OD1 2.77Å; T522-D604 PolarHBondContact OG1-OD2 2.87Å; R600-D604 CarbonylContact C-O 3.6Å; R600-D604 WeakPolarHBondContact CA-O 3.44Å; T601-D604 WeakPolarHBondContact CG2-OD1 3.36Å; T601-D604 PolarHBondContact N-O 3.29Å; T601-D604 PolarHBondContact OG1-N 2.88Å; T601-D604 PolarHBondContact OG1-OD1 2.79Å
605	S	92	Very high	90.7	Very high	82 Å²	82	46.6 Å²	46.6	57%	0.573	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-165.5	159	-175.2	63.9	0	0	0	0	119.1	A599	A599-S605 CarbonylContact O-C 3.59Å; A599-S605 WeakPolarHBondContact O-CA 3.36Å; A599-S605 WeakPolarHBondContact O-CB 3.26Å
606	V	92.3	Very high	90.2	Very high	39 Å²	39	47.7 Å²	47.7	24%	0.236	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	172.4	-175.7	-66.7	0	0	0	0	115.6	T522 L524 A547 V598 A599	T522-V606 HydrophobicContact CG2-CG2 4.23Å; L524-V606 HydrophobicContact CD1-CB 4.2Å; L524-V606 HydrophobicContact CD1-CG2 4.48Å; L524-V606 HydrophobicContact CD2-CB 4.22Å; L524-V606 HydrophobicContact CD2-CG2 3.62Å; L524-V606 HydrophobicContact CG-CB 3.85Å; L524-V606 HydrophobicContact CG-CG2 3.66Å; A547-V606 HydrophobicContact CB-CG2 4.03Å; V598-V606 CarbonylContact C-O 3.53Å; V598-V606 VanDerWaalsContact CA-O 3.29Å; V598-V606 WeakPolarHBondContact CA-O 3.11Å; V598-V606 WeakPolarHBondContact CG1-O 3.36Å; A599-V606 HydrophobicContact CB-CG2 3.84Å; A599-V606 PolarHBondContact N-O 2.84Å; A599-V606 PolarHBondContact O-N 2.92Å
607	S	92.9	Very high	89.8	Confident	74 Å²	74	46.6 Å²	46.6	52%	0.517	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	168.8	-170.9	58.3	0	0	0	0	121.7	L524 C597	L524-S607 WeakPolarHBondContact CD1-O 3.48Å; C597-S607 CarbonylContact O-C 3.34Å; C597-S607 WeakPolarHBondContact O-CA 3.44Å; C597-S607 WeakPolarHBondContact O-CB 3.2Å
608	S	92.4	Very high	89.5	Confident	23 Å²	23	47 Å²	47	16%	0.161	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	170.4	-177.7	-153.3	0	0	0	0	118.6	L528 I596 C597	L528-S608 PolarHBondContact N-OG 2.95Å; I596-S608 CarbonylContact C-O 3.54Å; I596-S608 VanDerWaalsContact CA-O 3.31Å; I596-S608 WeakPolarHBondContact CA-O 3.24Å; I596-S608 WeakPolarHBondContact CG2-O 3.3Å; C597-S608 PolarHBondContact N-O 3.29Å; C597-S608 PolarHBondContact O-N 2.82Å
609	E	92.6	Very high	89.1	Confident	124 Å²	124	50.2 Å²	50.2	58%	0.579	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.2	147.9	-168.6	-179.9	179.7	-144.8	0	0	121.1	L528 Y595 I596	L528-E609 WeakPolarHBondContact CB-O 3.43Å; Y595-E609 CarbonylContact O-C 3.45Å; Y595-E609 VanDerWaalsContact O-CA 3.26Å; Y595-E609 WeakPolarHBondContact O-CA 3.1Å; I596-E609 HydrophobicContact CG1-CB 4.19Å; I596-E609 HydrophobicContact CG1-CG 3.95Å
610	M	92.6	Very high	89	Confident	8 Å²	8	53 Å²	53	4%	0.039	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	-178.6	167.1	81.3	116.9	100	0	0	121.2	L528 P530 F541 L543 D594 Y595	L528-M610 HydrophobicContact CB-CB 4.3Å; L528-M610 HydrophobicContact CB-CG 4.3Å; P530-M610 WeakPolarHBondContact O-CB 3.48Å; P530-M610 WeakPolarHBondContact O-CE 3.16Å; F541-M610 HydrophobicContact CE1-CE 3.96Å; F541-M610 HydrophobicContact CE1-SD 3.6Å; F541-M610 HydrophobicContact CZ-CE 3.55Å; F541-M610 HydrophobicContact CZ-SD 3.61Å; L543-M610 HydrophobicContact CD2-CE 3.82Å; L543-M610 HydrophobicContact CD2-CG 3.24Å; L543-M610 HydrophobicContact CD2-SD 3.62Å; D594-M610 CarbonylContact C-O 3.54Å; D594-M610 WeakPolarHBondContact CA-O 3.34Å; Y595-M610 PolarHBondContact N-O 3.36Å; Y595-M610 PolarHBondContact O-N 2.97Å
611	T	91	Very high	88.9	Confident	39 Å²	39	48 Å²	48	24%	0.239	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.7	-171	-43.6	0	0	0	0	120.2	R531 R532 A533 G593 D594	R531-T611 WeakPolarHBondContact O-CB 3.24Å; R531-T611 PolarHBondContact O-N 2.95Å; R531-T611 VanDerWaalsContact O-N 3.08Å; R531-T611 PolarHBondContact O-OG1 2.85Å; R532-T611 CarbonylContact C-O 3.46Å; R532-T611 WeakPolarHBondContact CA-O 3.27Å; A533-T611 PolarHBondContact N-O 3.41Å; G593-T611 CarbonylContact O-C 3.56Å; G593-T611 WeakPolarHBondContact O-CA 3.39Å; D594-T611 WeakPolarHBondContact OD1-CB 3.37Å; D594-T611 WeakPolarHBondContact OD1-CG2 3.28Å; D594-T611 PolarHBondContact OD1-OG1 2.89Å
612	L	90.8	Very high	88.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.3	-171.8	-172.3	61.1	0	0	0	121.2	A533 I535 F541 I584 H592 G593 Y595	A533-L612 HydrophobicContact CB-CD1 4.16Å; A533-L612 CarbonylContact O-C 3.37Å; I535-L612 HydrophobicContact CB-CD1 4.32Å; I535-L612 HydrophobicContact CD1-CD1 4.09Å; I535-L612 HydrophobicContact CD1-CD2 4.25Å; I535-L612 HydrophobicContact CD1-CG 4.44Å; I535-L612 HydrophobicContact CG1-CD1 3.75Å; I535-L612 HydrophobicContact CG1-CG 4.34Å; I535-L612 HydrophobicContact CG2-CD1 3.67Å; F541-L612 HydrophobicContact CB-CD1 4.26Å; F541-L612 HydrophobicContact CB-CD2 3.98Å; F541-L612 HydrophobicContact CD1-CD1 3.62Å; F541-L612 HydrophobicContact CD1-CD2 3.65Å; F541-L612 HydrophobicContact CD1-CG 4.13Å; F541-L612 HydrophobicContact CD2-CD1 3.68Å; F541-L612 HydrophobicContact CE1-CB 4.38Å; F541-L612 HydrophobicContact CE1-CD1 3.74Å; F541-L612 HydrophobicContact CE1-CD2 4.32Å; F541-L612 HydrophobicContact CE1-CG 4.38Å; F541-L612 HydrophobicContact CE2-CD1 3.83Å; F541-L612 HydrophobicContact CG-CD1 3.57Å; F541-L612 HydrophobicContact CG-CD2 3.91Å; F541-L612 HydrophobicContact CG-CG 4.37Å; F541-L612 HydrophobicContact CZ-CD1 3.84Å; I584-L612 HydrophobicContact CD1-CD2 3.34Å; H592-L612 PolarHBondContact ND1-O 2.91Å; G593-L612 PolarHBondContact O-N 2.86Å; Y595-L612 HydrophobicContact CE2-CB 4.34Å
613	I	87.2	Confident	88.9	Confident	62 Å²	62	50.4 Å²	50.4	32%	0.318	28%	0.278	S	S	.	.			trans	-144.7	153.8	177	-65.4	160.8	0	0	0	114.5	A533 V534 I535	A533-I613 PolarHBondContact O-N 2.89Å; A533-I613 VanDerWaalsContact O-N 3.17Å; V534-I613 HydrophobicContact CG1-CB 4.4Å; V534-I613 HydrophobicContact CG1-CG2 4.21Å; V534-I613 HydrophobicContact CG2-CB 4.23Å; V534-I613 HydrophobicContact CG2-CD1 4.07Å; I535-I613 WeakPolarHBondContact CG1-O 3.12Å; I535-I613 PolarHBondContact N-O 2.9Å
614	V	84.8	Confident	89	Confident	23 Å²	23	53 Å²	53	14%	0.139	29%	0.29	C	S	.	.			trans	-139.4	163.5	-166.8	-160.7	0	0	0	0	117.7	I535 A537 P587	I535-V614 HydrophobicContact CD1-CG1 4.42Å; I535-V614 HydrophobicContact CD1-CG2 4.14Å; I535-V614 HydrophobicContact CG1-CB 4.43Å; I535-V614 HydrophobicContact CG1-CG1 4.42Å; I535-V614 HydrophobicContact CG1-CG2 4.05Å; I535-V614 WeakPolarHBondContact O-CA 3.26Å; A537-V614 HydrophobicContact CB-CG1 3.97Å; P587-V614 HydrophobicContact CB-CG1 4.2Å; P587-V614 HydrophobicContact CB-CG2 4.32Å; P587-V614 VanDerWaalsContact O-CG1 3.24Å; P587-V614 WeakPolarHBondContact O-CG1 3.42Å
615	K	82.9	Confident	88.9	Confident	73 Å²	73	54 Å²	54	32%	0.317	30%	0.299	S	S	.	.			trans	-144.9	139.6	178.3	-60.8	175.4	164.6	-168.7	0	116.8	A537 E645	A537-K615 WeakPolarHBondContact CA-O 3.04Å; A537-K615 WeakPolarHBondContact CB-O 3.46Å; A537-K615 PolarHBondContact N-O 2.78Å; K615-E645 IonicContact NZ-OE2 3.36Å; K615-E645 PolarHBondContact NZ-OE2 2.01Å
616	D	82.9	Confident	88.8	Confident	24 Å²	24	51.7 Å²	51.7	13%	0.128	28%	0.281	C	S	.	.			trans	-131.3	-176.7	-162.4	-130	-42.8	0	0	0	120.6	A537 R588 N643 N697 R699	A537-D616 HydrophobicContact CB-CB 3.9Å; A537-D616 WeakPolarHBondContact CB-OD1 3.29Å; A537-D616 WeakPolarHBondContact CB-OD2 3.41Å; R588-D616 WeakPolarHBondContact CA-OD2 3.41Å; R588-D616 WeakPolarHBondContact CD-OD2 3.46Å; R588-D616 IonicContact CZ-OD1 3.71Å; R588-D616 IonicContact NH1-OD1 3.69Å; R588-D616 PolarHBondContact NH1-OD1 2.96Å; R588-D616 IonicContact NH1-OD2 3.92Å; D616-N643 HydrophobicContact CB-CB 4.06Å; D616-N643 PolarHBondContact N-O 3.31Å; D616-N697 PolarHBondContact O-ND2 3.48Å; D616-N697 VanDerWaalsContact O-ND2 3.12Å; D616-R699 VanDerWaalsContact O-CG 3.26Å; D616-R699 WeakPolarHBondContact O-CG 3.41Å
617	V	85.2	Confident	88.7	Confident	34 Å²	34	55.7 Å²	55.7	21%	0.206	30%	0.297	C	S	.	.			trans	-84.9	166.7	-171.2	-58.4	0	0	0	0	116.4	N643 R699	V617-N643 WeakPolarHBondContact O-CB 3.38Å; V617-N643 PolarHBondContact O-ND2 3.08Å; V617-R699 HydrophobicContact CB-CB 4.49Å; V617-R699 HydrophobicContact CG1-CB 3.71Å
618	P	86	Confident	88.4	Confident	9 Å²	9	54.9 Å²	54.9	6%	0.058	29%	0.291	C	S	.	.			trans	-79.3	177	-175.1	-15.5	34	0	0	0	116.3	Y641 I647 N697 G700 S702	P618-Y641 WeakPolarHBondContact CA-O 3.49Å; P618-Y641 WeakPolarHBondContact CB-O 3.41Å; P618-I647 HydrophobicContact CB-CD1 4.23Å; P618-I647 HydrophobicContact CB-CG1 4.11Å; P618-I647 HydrophobicContact CG-CG1 4.1Å; P618-N697 VanDerWaalsContact CD-CG 3.48Å; P618-N697 WeakPolarHBondContact CD-OD1 3.42Å; P618-N697 HydrophobicContact CG-CB 3.54Å; P618-G700 WeakPolarHBondContact CD-O 3.5Å; P618-S702 WeakPolarHBondContact O-CB 3.33Å
619	E	86.2	Confident	88.1	Confident	109 Å²	109	57.7 Å²	57.7	51%	0.509	30%	0.304	S	S	.	.			trans	-95.8	173.4	170.2	-66.2	-175.8	-177.9	0	0	114	A640 Y641 S702	E619-A640 HydrophobicContact CB-CB 4.38Å; E619-A640 WeakPolarHBondContact O-CB 3.15Å; E619-Y641 HydrophobicContact CG-CD1 4.28Å; E619-Y641 PolarHBondContact N-O 3.36Å; E619-Y641 VanDerWaalsContact N-O 3.13Å; E619-S702 WeakPolarHBondContact O-CB 3.19Å; E619-S702 PolarHBondContact O-OG 3.27Å
620	S	88.9	Confident	87.7	Confident	58 Å²	58	57 Å²	57	41%	0.406	31%	0.305	S	S	.	.			trans	-78.6	143.9	-167.1	-168.4	0	0	0	0	115.5	E703	S620-E703 WeakPolarHBondContact CB-O 3.47Å; S620-E703 PolarHBondContact OG-O 2.99Å
621	P	90	Very high	87.3	Confident	11 Å²	11	64.8 Å²	64.8	7%	0.071	33%	0.333	C	S	.	.			trans	-90	-171.9	176	37.5	-36.6	0	0	0	114.3	A638 Y650 A695 E703	P621-A638 WeakPolarHBondContact CB-O 3.48Å; P621-Y650 HydrophobicContact CB-CD1 4.46Å; P621-Y650 HydrophobicContact CB-CE1 4.42Å; P621-A695 HydrophobicContact CB-CB 4.31Å; P621-A695 HydrophobicContact CG-CB 4.16Å; P621-E703 WeakPolarHBondContact CD-O 3.31Å
622	K	89.5	Confident	87.2	Confident	152 Å²	152	67.1 Å²	67.1	66%	0.661	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	129.2	-175.5	-174.6	176.3	-179.2	176.9	0	114.2	W637 A638	K622-W637 CarbonylContact O-C 3.53Å; K622-W637 VanDerWaalsContact O-C 3.31Å; K622-W637 WeakPolarHBondContact O-CA 3.41Å; K622-W637 WeakPolarHBondContact O-CB 3.36Å; K622-A638 PolarHBondContact O-N 2.7Å
623	V	89.5	Confident	87.2	Confident	33 Å²	33	67.5 Å²	67.5	20%	0.2	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	158.9	-170.2	172.7	0	0	0	0	114.6	R636 W637 V693 A705	V623-R636 CarbonylContact C-O 3.5Å; V623-R636 WeakPolarHBondContact CA-O 3.26Å; V623-W637 HydrophobicContact CG2-CB 4.34Å; V623-V693 HydrophobicContact CG2-CB 3.65Å; V623-V693 HydrophobicContact CG2-CG1 4.41Å; V623-V693 HydrophobicContact CG2-CG2 3.59Å; V623-A705 HydrophobicContact CG2-CB 3.73Å
624	L	88.8	Confident	87.4	Confident	105 Å²	105	67 Å²	67	55%	0.55	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	-42.4	-171.9	-56.6	171.7	0	0	0	118.6	R636	L624-R636 HydrophobicContact CB-CB 3.9Å; L624-R636 PolarHBondContact N-O 3.04Å
625	S	88.5	Confident	87.8	Confident	52 Å²	52	66.1 Å²	66.1	36%	0.364	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	161.9	-177.6	45	0	0	0	0	115.4	I635 R636	S625-I635 CarbonylContact O-C 3.57Å; S625-I635 VanDerWaalsContact O-CA 3.3Å; S625-I635 WeakPolarHBondContact O-CA 3.41Å; S625-R636 PolarHBondContact O-N 2.95Å; S625-R636 WeakPolarHBondContact OG-CD 3.46Å
626	V	90.6	Very high	88.3	Confident	34 Å²	34	66.9 Å²	66.9	21%	0.206	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	150	-172.5	-176.1	0	0	0	0	117.8	L634 I635 F691 S709	V626-L634 CarbonylContact C-O 3.6Å; V626-L634 WeakPolarHBondContact CA-O 3.33Å; V626-L634 WeakPolarHBondContact CG1-O 3.47Å; V626-I635 HydrophobicContact CB-CG1 4.3Å; V626-I635 HydrophobicContact CG1-CG1 4.08Å; V626-I635 HydrophobicContact CG2-CG1 3.61Å; V626-F691 HydrophobicContact CG1-CD2 3.64Å; V626-F691 HydrophobicContact CG1-CE2 4.05Å; V626-F691 HydrophobicContact CG1-CG 4.42Å; V626-S709 WeakPolarHBondContact CB-OG 3.17Å; V626-S709 WeakPolarHBondContact CG1-OG 3.42Å
627	E	90	Very high	88.8	Confident	123 Å²	123	65.7 Å²	65.7	58%	0.575	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	171.1	175.2	-59.4	177.5	-125.7	0	0	116	A633 L634	E627-A633 WeakPolarHBondContact O-CA 3.26Å; E627-A633 WeakPolarHBondContact O-CB 3.34Å; E627-L634 HydrophobicContact CB-CB 4.37Å; E627-L634 PolarHBondContact N-O 3.43Å; E627-L634 PolarHBondContact O-N 3.21Å; E627-L634 VanDerWaalsContact O-N 3.16Å
628	C	86.6	Confident	89.1	Confident	57 Å²	57	65.2 Å²	65.2	39%	0.385	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	160.3	-171.6	-96.8	0	0	0	0	117	Q632 C711	C628-Q632 CarbonylContact C-O 3.48Å; C628-Q632 WeakPolarHBondContact CA-O 3.36Å; C628-C711 HydrophobicContact CB-CB 3.81Å; C628-C711 WeakPolarHBondContact CB-SG 3.47Å; C628-C711 WeakPolarHBondContact SG-CB 3.46Å; C628-C711 CovalentContact SG-SG 2.07Å; C628-C711 PolarHBondContact SG-SG 2.92Å
629	N	85.8	Confident	89.3	Confident	82 Å²	82	68.2 Å²	68.2	44%	0.439	34%	0.344	S	S	.	.			trans	-147.1	-165.8	163.1	82.5	24	0	0	0	114.7	R631 Q632	N629-R631 PolarHBondContact O-N 2.85Å; N629-R631 PolarHBondContact OD1-N 3.08Å; N629-Q632 PolarHBondContact N-O 2.82Å; N629-Q632 WeakPolarHBondContact OD1-CB 3.39Å; N629-Q632 PolarHBondContact OD1-N 3.25Å
630	D	83.4	Confident	89.4	Confident	110 Å²	110	64.2 Å²	64.2	59%	0.588	33%	0.33	S	S	*	.	S	Bend	trans	-64.2	-20.3	-178.5	95.1	-57.9	0	0	0	114.6
631	R	84.3	Confident	89.3	Confident	170 Å²	170	68.1 Å²	68.1	64%	0.642	34%	0.337	S	S	*	.	S	Bend	trans	-137.2	-8.5	-177.1	-71.4	168.3	-162.9	-135.2	-1.3	114.9	N629 N682 L683	N629-R631 PolarHBondContact O-N 2.85Å; N629-R631 PolarHBondContact OD1-N 3.08Å; R631-N682 CarbonylContact O-C 3.44Å; R631-N682 WeakPolarHBondContact O-CA 3.35Å; R631-L683 WeakPolarHBondContact O-CG 3.48Å; R631-L683 PolarHBondContact O-N 3.23Å; R631-L683 VanDerWaalsContact O-N 3.12Å
632	Q	90.5	Very high	89	Confident	88 Å²	88	70.1 Å²	70.1	41%	0.411	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	171.5	-163.9	-45.3	-162.7	-76.2	0	0	116.6	C628 N629 I681 N682	C628-Q632 CarbonylContact C-O 3.48Å; C628-Q632 WeakPolarHBondContact CA-O 3.36Å; N629-Q632 PolarHBondContact N-O 2.82Å; N629-Q632 WeakPolarHBondContact OD1-CB 3.39Å; N629-Q632 PolarHBondContact OD1-N 3.25Å; Q632-I681 VanDerWaalsContact CA-O 3.27Å; Q632-I681 WeakPolarHBondContact CA-O 3.16Å; Q632-I681 WeakPolarHBondContact CB-O 3.47Å; Q632-N682 WeakPolarHBondContact CG-OD1 3.38Å; Q632-N682 PolarHBondContact NE2-OD1 2.68Å
633	A	89.3	Confident	88.5	Confident	9 Å²	9	65.5 Å²	65.5	7%	0.074	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	174.7	179.7	0	0	0	0	0	115.8	E627 I680 I681 F691	E627-A633 WeakPolarHBondContact O-CA 3.26Å; E627-A633 WeakPolarHBondContact O-CB 3.34Å; A633-I680 CarbonylContact O-C 3.52Å; A633-I680 WeakPolarHBondContact O-CA 3.46Å; A633-I680 WeakPolarHBondContact O-CG2 3.18Å; A633-I681 HydrophobicContact CB-CB 3.78Å; A633-I681 HydrophobicContact CB-CD1 4.31Å; A633-I681 HydrophobicContact CB-CG1 4.21Å; A633-I681 HydrophobicContact CB-CG2 4.15Å; A633-I681 PolarHBondContact N-O 2.84Å; A633-I681 PolarHBondContact O-N 2.86Å; A633-F691 HydrophobicContact CB-CE1 4.19Å; A633-F691 HydrophobicContact CB-CZ 4.02Å
634	L	92.5	Very high	88	Confident	52 Å²	52	72.8 Å²	72.8	27%	0.272	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.5	-170.7	172.6	75.6	0	0	0	114.8	V626 E627 A679 I680	V626-L634 CarbonylContact C-O 3.6Å; V626-L634 WeakPolarHBondContact CA-O 3.33Å; V626-L634 WeakPolarHBondContact CG1-O 3.47Å; E627-L634 HydrophobicContact CB-CB 4.37Å; E627-L634 PolarHBondContact N-O 3.43Å; E627-L634 PolarHBondContact O-N 3.21Å; E627-L634 VanDerWaalsContact O-N 3.16Å; L634-A679 CarbonylContact C-O 3.57Å; L634-A679 VanDerWaalsContact CA-O 3.25Å; L634-A679 WeakPolarHBondContact CA-O 3.31Å; L634-A679 WeakPolarHBondContact CD1-O 3.34Å; L634-I680 HydrophobicContact CB-CG1 4.42Å; L634-I680 HydrophobicContact CD1-CD1 4.21Å; L634-I680 HydrophobicContact CD1-CG1 3.75Å
635	I	92.1	Very high	87.7	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.015	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	163.9	-166.7	-82.6	144.2	0	0	0	118.4	S625 V626 W637 V652 E678 A679 I681 F691 V693	S625-I635 CarbonylContact O-C 3.57Å; S625-I635 VanDerWaalsContact O-CA 3.3Å; S625-I635 WeakPolarHBondContact O-CA 3.41Å; V626-I635 HydrophobicContact CB-CG1 4.3Å; V626-I635 HydrophobicContact CG1-CG1 4.08Å; V626-I635 HydrophobicContact CG2-CG1 3.61Å; I635-W637 HydrophobicContact CG2-CE3 4.03Å; I635-W637 HydrophobicContact CG2-CZ3 4.08Å; I635-V652 HydrophobicContact CB-CG1 4.27Å; I635-V652 HydrophobicContact CD1-CG1 3.47Å; I635-V652 VanDerWaalsContact CD1-CG1 3.47Å; I635-V652 HydrophobicContact CG1-CG1 4.37Å; I635-V652 HydrophobicContact CG2-CG1 3.89Å; I635-V652 HydrophobicContact CG2-CG2 4.28Å; I635-E678 CarbonylContact O-C 3.48Å; I635-E678 VanDerWaalsContact O-CA 3.29Å; I635-E678 WeakPolarHBondContact O-CA 3.49Å; I635-E678 WeakPolarHBondContact O-CB 3.37Å; I635-A679 HydrophobicContact CB-CB 4.4Å; I635-A679 HydrophobicContact CG2-CB 4.44Å; I635-A679 PolarHBondContact N-O 3.06Å; I635-A679 PolarHBondContact O-N 2.73Å; I635-I681 HydrophobicContact CD1-CD1 3.5Å; I635-I681 VanDerWaalsContact CD1-CD1 3.5Å; I635-I681 HydrophobicContact CD1-CG1 4.25Å; I635-F691 HydrophobicContact CD1-CB 3.82Å; I635-F691 HydrophobicContact CD1-CG 4.25Å; I635-V693 HydrophobicContact CG2-CG2 3.79Å
636	R	93.8	Very high	87.6	Confident	89 Å²	89	69.5 Å²	69.5	34%	0.336	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	150.9	176.8	-58.5	-165.3	158.4	89.4	9.9	119.5	V623 L624 S625 Y677 E678	V623-R636 CarbonylContact C-O 3.5Å; V623-R636 WeakPolarHBondContact CA-O 3.26Å; L624-R636 HydrophobicContact CB-CB 3.9Å; L624-R636 PolarHBondContact N-O 3.04Å; S625-R636 PolarHBondContact O-N 2.95Å; S625-R636 WeakPolarHBondContact OG-CD 3.46Å; R636-Y677 CarbonylContact C-O 3.31Å; R636-Y677 WeakPolarHBondContact CA-O 3.36Å; R636-E678 HydrophobicContact CB-CB 4.48Å; R636-E678 HydrophobicContact CG-CB 3.81Å; R636-E678 IonicContact CZ-OE2 2.69Å; R636-E678 IonicContact NE-OE2 3.87Å; R636-E678 PolarHBondContact NE-OE2 2.9Å; R636-E678 IonicContact NH2-OE1 2.9Å; R636-E678 IonicContact NH2-OE2 3.96Å; R636-E678 PolarHBondContact NH2-OE2 2.58Å
637	W	93.2	Very high	87.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	-166.1	-178	70.7	95.2	0	0	0	120.8	K622 V623 I635 Y650 V652 E669 T676 Y677 E678 A679 V693	K622-W637 CarbonylContact O-C 3.53Å; K622-W637 VanDerWaalsContact O-C 3.31Å; K622-W637 WeakPolarHBondContact O-CA 3.41Å; K622-W637 WeakPolarHBondContact O-CB 3.36Å; V623-W637 HydrophobicContact CG2-CB 4.34Å; I635-W637 HydrophobicContact CG2-CE3 4.03Å; I635-W637 HydrophobicContact CG2-CZ3 4.08Å; W637-Y650 AromaticContact CD1-CD1 3.74Å; W637-Y650 HydrophobicContact CZ2-CG 4.37Å; W637-Y650 AromaticContact NE1-CD1 3.29Å; W637-Y650 VanDerWaalsContact NE1-CD1 3.29Å; W637-Y650 AromaticContact NE1-CD2 3.79Å; W637-Y650 AromaticContact NE1-CG 3.13Å; W637-V652 HydrophobicContact CE3-CG2 4.31Å; W637-V652 HydrophobicContact CH2-CG2 3.81Å; W637-V652 HydrophobicContact CZ3-CG2 3.67Å; W637-E669 HydrophobicContact CH2-CB 4.25Å; W637-E669 HydrophobicContact CH2-CG 3.61Å; W637-E669 HydrophobicContact CZ2-CB 3.85Å; W637-E669 HydrophobicContact CZ2-CG 3.73Å; W637-T676 CarbonylContact O-C 3.59Å; W637-T676 WeakPolarHBondContact O-CA 3.12Å; W637-Y677 HydrophobicContact CZ2-CG 4.44Å; W637-Y677 PolarHBondContact N-O 3.19Å; W637-Y677 AromaticContact NE1-CD2 3.96Å; W637-Y677 AromaticContact NE1-CG 3.9Å; W637-Y677 PolarHBondContact O-N 2.98Å; W637-E678 WeakPolarHBondContact CH2-O 3.24Å; W637-E678 VanDerWaalsContact CZ3-C 3.45Å; W637-A679 HydrophobicContact CH2-CB 3.81Å; W637-A679 HydrophobicContact CZ3-CB 3.59Å; W637-V693 HydrophobicContact CB-CG1 3.94Å; W637-V693 HydrophobicContact CD2-CG1 3.63Å; W637-V693 HydrophobicContact CE3-CG1 4.04Å; W637-V693 HydrophobicContact CE3-CG2 4.2Å; W637-V693 HydrophobicContact CG-CG1 3.56Å
638	A	92	Very high	87.4	Confident	23 Å²	23	64.8 Å²	64.8	19%	0.19	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	-179.5	-175.2	0	0	0	0	0	119.1	P621 K622 K675	P621-A638 WeakPolarHBondContact CB-O 3.48Å; K622-A638 PolarHBondContact O-N 2.7Å; A638-K675 WeakPolarHBondContact CA-O 3.29Å; A638-K675 VanDerWaalsContact CB-O 3.27Å; A638-K675 WeakPolarHBondContact CB-O 3.45Å
639	E	90.5	Very high	87.7	Confident	72 Å²	72	64.1 Å²	64.1	34%	0.336	31%	0.311	S	S	.	.			trans	-91.5	163.9	-163	176.3	175.3	-142.1	0	0	121	Y650 K671	E639-Y650 VanDerWaalsContact CA-OH 3.32Å; E639-Y650 WeakPolarHBondContact CA-OH 3.45Å; E639-Y650 WeakPolarHBondContact CB-OH 3.07Å; E639-K671 WeakPolarHBondContact OE1-CE 3.47Å; E639-K671 IonicContact OE1-NZ 2.76Å; E639-K671 PolarHBondContact OE1-NZ 2.92Å
640	A	88.2	Confident	88.1	Confident	26 Å²	26	60.2 Å²	60.2	22%	0.215	29%	0.29	C	S	.	.			trans	-143.1	-171.2	-176	0	0	0	0	0	119	E619 I647	E619-A640 HydrophobicContact CB-CB 4.38Å; E619-A640 WeakPolarHBondContact O-CB 3.15Å; A640-I647 WeakPolarHBondContact O-CD1 3.41Å
641	Y	86.4	Confident	88.4	Confident	139 Å²	139	56.3 Å²	56.3	55%	0.545	27%	0.268	S	S	.	.			trans	-102.3	165.1	-173.8	179	-105.2	0	0	0	116.2	P618 E619	P618-Y641 WeakPolarHBondContact CA-O 3.49Å; P618-Y641 WeakPolarHBondContact CB-O 3.41Å; E619-Y641 HydrophobicContact CG-CD1 4.28Å; E619-Y641 PolarHBondContact N-O 3.36Å; E619-Y641 VanDerWaalsContact N-O 3.13Å
642	E	84.1	Confident	88.8	Confident	53 Å²	53	48.2 Å²	48.2	25%	0.248	24%	0.237	C	C	.	.			trans	-118.7	-20.1	-152.5	-47.4	-150.6	131.9	0	0	122.1	F644 E645 S646 I647 K671 N697	E642-F644 PolarHBondContact O-N 3.19Å; E642-E645 PolarHBondContact O-N 2.77Å; E642-S646 VanDerWaalsContact OE2-CA 3.29Å; E642-S646 WeakPolarHBondContact OE2-CA 3.44Å; E642-S646 WeakPolarHBondContact OE2-CB 3.36Å; E642-S646 PolarHBondContact OE2-OG 2.9Å; E642-I647 HydrophobicContact CG-CD1 4.03Å; E642-I647 HydrophobicContact CG-CG1 3.99Å; E642-I647 PolarHBondContact OE1-N 2.78Å; E642-K671 IonicContact OE1-NZ 3.14Å; E642-K671 PolarHBondContact OE1-NZ 2.83Å; E642-N697 PolarHBondContact O-ND2 3.44Å
643	N	78.6	Confident	88.8	Confident	55 Å²	55	45.1 Å²	45.1	29%	0.294	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	53.7	177.4	-73.2	-42.6	0	0	0	119.1	D616 V617 E645	D616-N643 HydrophobicContact CB-CB 4.06Å; D616-N643 PolarHBondContact N-O 3.31Å; V617-N643 WeakPolarHBondContact O-CB 3.38Å; V617-N643 PolarHBondContact O-ND2 3.08Å; N643-E645 VanDerWaalsContact C-N 3.31Å; N643-E645 PolarHBondContact O-N 3.01Å
644	F	79.5	Confident	88.9	Confident	186 Å²	186	46.2 Å²	46.2	82%	0.816	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	12.3	178.2	-55.4	-83.1	0	0	0	116.4	E642	E642-F644 PolarHBondContact O-N 3.19Å
645	E	82.8	Confident	88.6	Confident	18 Å²	18	43.8 Å²	43.8	8%	0.084	21%	0.212	C	C	.	.	S	Bend	trans	-151.9	125.5	168.2	-166.9	76.6	-129.5	0	0	111.5	K615 E642 N643 N697 R698 R699	K615-E645 IonicContact NZ-OE2 3.36Å; K615-E645 PolarHBondContact NZ-OE2 2.01Å; E642-E645 PolarHBondContact O-N 2.77Å; N643-E645 VanDerWaalsContact C-N 3.31Å; N643-E645 PolarHBondContact O-N 3.01Å; E645-N697 PolarHBondContact O-ND2 3.31Å; E645-R698 HydrophobicContact CG-CB 3.81Å; E645-R698 HydrophobicContact CG-CG 4.49Å; E645-R698 WeakPolarHBondContact OE1-CD 3.36Å; E645-R698 IonicContact OE1-CZ 2.58Å; E645-R698 IonicContact OE1-NH1 3.39Å; E645-R698 PolarHBondContact OE1-NH1 3.32Å; E645-R699 HydrophobicContact CB-CG 3.87Å; E645-R699 HydrophobicContact CG-CG 4.14Å; E645-R699 IonicContact OE2-CZ 2.69Å; E645-R699 IonicContact OE2-NE 2.9Å; E645-R699 IonicContact OE2-NH2 2.81Å; E645-R699 PolarHBondContact OE2-NH2 3.26Å
646	S	85.4	Confident	88.2	Confident	70 Å²	70	44.7 Å²	44.7	49%	0.49	22%	0.218	S	C	.	.			trans	-74.8	148	-164.6	-61.5	0	0	0	0	116.5	E642 N697	E642-S646 VanDerWaalsContact OE2-CA 3.29Å; E642-S646 WeakPolarHBondContact OE2-CA 3.44Å; E642-S646 WeakPolarHBondContact OE2-CB 3.36Å; E642-S646 PolarHBondContact OE2-OG 2.9Å; S646-N697 WeakPolarHBondContact O-CB 3.38Å
647	I	88.6	Confident	87.6	Confident	14 Å²	14	41.8 Å²	41.8	7%	0.072	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	143.5	-176	-64.4	170.9	0	0	0	111.2	P618 A640 E642 K671 T696 N697	P618-I647 HydrophobicContact CB-CD1 4.23Å; P618-I647 HydrophobicContact CB-CG1 4.11Å; P618-I647 HydrophobicContact CG-CG1 4.1Å; A640-I647 WeakPolarHBondContact O-CD1 3.41Å; E642-I647 HydrophobicContact CG-CD1 4.03Å; E642-I647 HydrophobicContact CG-CG1 3.99Å; E642-I647 PolarHBondContact OE1-N 2.78Å; I647-K671 HydrophobicContact CB-CD 3.71Å; I647-K671 HydrophobicContact CG2-CB 4.43Å; I647-K671 HydrophobicContact CG2-CD 3.57Å; I647-T696 WeakPolarHBondContact CG2-O 3.37Å; I647-N697 HydrophobicContact CG1-CB 4.36Å
648	T	88.9	Confident	86.7	Confident	44 Å²	44	46.1 Å²	46.1	27%	0.27	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-43.6	-177.7	53.5	0	0	0	0	113.7	K671 T696 R698	T648-K671 VanDerWaalsContact O-CB 3.27Å; T648-K671 WeakPolarHBondContact O-CB 3.46Å; T648-K671 PolarHBondContact O-N 2.84Å; T648-T696 PolarHBondContact N-O 2.82Å; T648-T696 PolarHBondContact OG1-O 2.96Å; T648-R698 HydrophobicContact CG2-CG 4.07Å
649	K	91.6	Very high	85.8	Confident	44 Å²	44	47.7 Å²	47.7	19%	0.191	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	-174.5	-172.6	69.8	-179.7	178.7	-177.1	0	115	E668 E669 E670 T696	K649-E668 HydrophobicContact CD-CB 4.39Å; K649-E668 WeakPolarHBondContact CE-OE1 3.33Å; K649-E668 WeakPolarHBondContact CE-OE2 3.4Å; K649-E668 VanDerWaalsContact NZ-CD 3.27Å; K649-E668 IonicContact NZ-OE1 2.69Å; K649-E668 PolarHBondContact NZ-OE1 2.89Å; K649-E668 IonicContact NZ-OE2 2.79Å; K649-E668 PolarHBondContact NZ-OE2 2.94Å; K649-E669 CarbonylContact C-O 3.55Å; K649-E669 VanDerWaalsContact CA-O 3.26Å; K649-E669 WeakPolarHBondContact CA-O 3.34Å; K649-E669 WeakPolarHBondContact CB-O 3.22Å; K649-E670 WeakPolarHBondContact CD-OE1 3.06Å; K649-T696 HydrophobicContact CG-CG2 4.17Å; K649-T696 PolarHBondContact N-O 2.91Å; K649-T696 VanDerWaalsContact N-O 3.12Å; K649-T696 WeakPolarHBondContact O-CB 3.43Å; K649-T696 PolarHBondContact O-N 2.86Å
650	Y	93.6	Very high	84.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	166.4	177.3	-57	-92.2	0	0	0	111.7	P621 W637 E639 E668 E669 K671 Y677 I694 A695	P621-Y650 HydrophobicContact CB-CD1 4.46Å; P621-Y650 HydrophobicContact CB-CE1 4.42Å; W637-Y650 AromaticContact CD1-CD1 3.74Å; W637-Y650 HydrophobicContact CZ2-CG 4.37Å; W637-Y650 AromaticContact NE1-CD1 3.29Å; W637-Y650 VanDerWaalsContact NE1-CD1 3.29Å; W637-Y650 AromaticContact NE1-CD2 3.79Å; W637-Y650 AromaticContact NE1-CG 3.13Å; E639-Y650 VanDerWaalsContact CA-OH 3.32Å; E639-Y650 WeakPolarHBondContact CA-OH 3.45Å; E639-Y650 WeakPolarHBondContact CB-OH 3.07Å; Y650-E668 WeakPolarHBondContact O-CA 3.49Å; Y650-E668 VanDerWaalsContact O-CB 3.31Å; Y650-E668 WeakPolarHBondContact O-CB 3.48Å; Y650-E669 PolarHBondContact N-O 3.15Å; Y650-E669 PolarHBondContact O-N 2.89Å; Y650-E669 VanDerWaalsContact O-N 3.15Å; Y650-K671 HydrophobicContact CE2-CB 4.43Å; Y650-Y677 HydrophobicContact CD2-CD1 4.2Å; Y650-Y677 HydrophobicContact CD2-CD2 4.14Å; Y650-Y677 HydrophobicContact CD2-CE1 4.19Å; Y650-Y677 HydrophobicContact CD2-CE2 4.18Å; Y650-Y677 HydrophobicContact CD2-CG 4.21Å; Y650-Y677 HydrophobicContact CE2-CD1 4.3Å; Y650-Y677 AromaticContact CE2-CD2 3.83Å; Y650-Y677 HydrophobicContact CE2-CD2 3.83Å; Y650-Y677 AromaticContact CE2-CE1 3.91Å; Y650-Y677 HydrophobicContact CE2-CE1 3.91Å; Y650-Y677 AromaticContact CE2-CE2 3.44Å; Y650-Y677 HydrophobicContact CE2-CE2 3.44Å; Y650-Y677 VanDerWaalsContact CE2-CE2 3.44Å; Y650-Y677 HydrophobicContact CE2-CG 4.29Å; Y650-Y677 AromaticContact CE2-CZ 3.5Å; Y650-Y677 AromaticContact CZ-CE2 3.78Å; Y650-I694 CarbonylContact C-O 3.49Å; Y650-I694 VanDerWaalsContact CA-O 3.26Å; Y650-I694 WeakPolarHBondContact CA-O 3.35Å; Y650-I694 WeakPolarHBondContact CB-O 3.34Å; Y650-A695 HydrophobicContact CD1-CB 3.55Å; Y650-A695 HydrophobicContact CE1-CB 3.64Å
651	K	91.7	Very high	84	Confident	27 Å²	27	58.9 Å²	58.9	12%	0.117	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.9	-173.7	-60.6	172.2	171.4	165.6	0	112.8	V667 E668 V693 I694 T696 D701	K651-V667 CarbonylContact C-O 3.52Å; K651-V667 VanDerWaalsContact CA-O 3.31Å; K651-V667 WeakPolarHBondContact CA-O 3.34Å; K651-E668 WeakPolarHBondContact CE-OE1 3.41Å; K651-E668 HydrophobicContact CG-CG 4.07Å; K651-V693 CarbonylContact O-C 3.58Å; K651-V693 VanDerWaalsContact O-CA 3.24Å; K651-V693 WeakPolarHBondContact O-CA 3.38Å; K651-V693 WeakPolarHBondContact O-CG1 3.36Å; K651-I694 HydrophobicContact CB-CB 4.16Å; K651-I694 HydrophobicContact CD-CG2 4.35Å; K651-I694 PolarHBondContact N-O 2.67Å; K651-I694 PolarHBondContact O-N 3.34Å; K651-T696 VanDerWaalsContact CE-OG1 3.3Å; K651-T696 WeakPolarHBondContact CE-OG1 3.31Å; K651-D701 WeakPolarHBondContact CE-OD1 3.38Å; K651-D701 IonicContact NZ-OD1 3.74Å; K651-D701 PolarHBondContact NZ-OD1 2.72Å; K651-D701 IonicContact NZ-OD2 2.75Å; K651-D701 PolarHBondContact NZ-OD2 2.74Å
652	V	91.7	Very high	83.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.5	-177.7	-174.8	0	0	0	0	112	I635 W637 K665 T666 V667 A679 R692 V693	I635-V652 HydrophobicContact CB-CG1 4.27Å; I635-V652 HydrophobicContact CD1-CG1 3.47Å; I635-V652 VanDerWaalsContact CD1-CG1 3.47Å; I635-V652 HydrophobicContact CG1-CG1 4.37Å; I635-V652 HydrophobicContact CG2-CG1 3.89Å; I635-V652 HydrophobicContact CG2-CG2 4.28Å; W637-V652 HydrophobicContact CE3-CG2 4.31Å; W637-V652 HydrophobicContact CH2-CG2 3.81Å; W637-V652 HydrophobicContact CZ3-CG2 3.67Å; V652-K665 CarbonylContact O-C 3.55Å; V652-K665 WeakPolarHBondContact O-CA 3.04Å; V652-T666 PolarHBondContact O-N 3.1Å; V652-T666 PolarHBondContact O-OG1 2.61Å; V652-V667 PolarHBondContact N-O 2.78Å; V652-A679 HydrophobicContact CB-CB 4.24Å; V652-A679 HydrophobicContact CG1-CB 4.39Å; V652-A679 HydrophobicContact CG2-CB 3.56Å; V652-R692 CarbonylContact C-O 3.54Å; V652-R692 WeakPolarHBondContact CA-O 3.44Å; V652-R692 WeakPolarHBondContact CG1-O 3.31Å; V652-V693 HydrophobicContact CG1-CG2 4.38Å; V652-V693 HydrophobicContact CG2-CG2 4.13Å
653	E	91.4	Very high	83.4	Confident	24 Å²	24	57.2 Å²	57.2	11%	0.112	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	170.4	-172.7	-39.5	-166.6	137.8	0	0	116.2	T664 K665 F691 R692	E653-T664 CarbonylContact C-O 3.2Å; E653-T664 WeakPolarHBondContact CA-O 2.98Å; E653-T664 WeakPolarHBondContact CB-O 3.45Å; E653-K665 HydrophobicContact CG-CB 4.13Å; E653-K665 HydrophobicContact CG-CG 4.31Å; E653-F691 CarbonylContact O-C 3.54Å; E653-F691 VanDerWaalsContact O-CA 3.24Å; E653-F691 WeakPolarHBondContact O-CA 3.42Å; E653-R692 HydrophobicContact CB-CG 3.93Å; E653-R692 HydrophobicContact CG-CG 4.4Å; E653-R692 PolarHBondContact N-O 3.1Å; E653-R692 PolarHBondContact O-N 2.91Å; E653-R692 IonicContact OE2-CZ 2.68Å; E653-R692 IonicContact OE2-NE 3.41Å; E653-R692 PolarHBondContact OE2-NE 2.95Å; E653-R692 IonicContact OE2-NH2 2.7Å; E653-R692 PolarHBondContact OE2-NH2 3.16Å
654	Y	89.6	Confident	83.4	Confident	32 Å²	32	57 Å²	57	13%	0.125	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.2	-179.1	78.6	-115.7	0	0	0	117.2	T656 W663 T664 T666 I681 N682 Y689 T690	Y654-T656 HydrophobicContact CD2-CG2 4.44Å; Y654-T656 HydrophobicContact CE2-CG2 4.21Å; Y654-W663 VanDerWaalsContact C-CE3 3.41Å; Y654-W663 CarbonylContact O-C 3.47Å; Y654-W663 WeakPolarHBondContact O-CA 3.29Å; Y654-T664 HydrophobicContact CD1-CG2 4.38Å; Y654-T664 WeakPolarHBondContact CD1-O 3.47Å; Y654-T664 HydrophobicContact CD2-CG2 4.48Å; Y654-T664 HydrophobicContact CE1-CG2 3.82Å; Y654-T664 HydrophobicContact CE2-CG2 3.88Å; Y654-T664 PolarHBondContact N-O 3.14Å; Y654-T664 WeakPolarHBondContact O-CA 3.29Å; Y654-T664 VanDerWaalsContact O-CB 3.32Å; Y654-T664 WeakPolarHBondContact O-CB 3.37Å; Y654-T664 PolarHBondContact O-N 2.81Å; Y654-T664 PolarHBondContact O-OG1 3.19Å; Y654-T666 HydrophobicContact CD1-CG2 3.61Å; Y654-T666 HydrophobicContact CE1-CG2 4.23Å; Y654-I681 HydrophobicContact CD1-CG2 3.9Å; Y654-I681 HydrophobicContact CE1-CG2 4.41Å; Y654-N682 VanDerWaalsContact CE1-O 3.26Å; Y654-N682 WeakPolarHBondContact CE1-O 3.48Å; Y654-Y689 AromaticContact CD2-CD1 3.55Å; Y654-Y689 HydrophobicContact CD2-CD1 3.55Å; Y654-Y689 AromaticContact CD2-CE1 3.97Å; Y654-Y689 HydrophobicContact CD2-CE1 3.97Å; Y654-Y689 AromaticContact CE2-CD1 3.54Å; Y654-Y689 HydrophobicContact CE2-CD1 3.54Å; Y654-Y689 AromaticContact CE2-CE1 3.43Å; Y654-Y689 HydrophobicContact CE2-CE1 3.43Å; Y654-Y689 VanDerWaalsContact CE2-CE1 3.43Å; Y654-Y689 HydrophobicContact CG-CD1 4.34Å; Y654-Y689 AromaticContact CZ-CE1 3.94Å; Y654-T690 CarbonylContact C-O 3.46Å; Y654-T690 WeakPolarHBondContact CA-O 3.45Å; Y654-T690 WeakPolarHBondContact CB-O 3.45Å
655	A	87.3	Confident	83.3	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	171.8	173.7	0	0	0	0	0	114.3	L662 W663 Y689 T690	A655-L662 WeakPolarHBondContact CA-O 3.28Å; A655-L662 WeakPolarHBondContact CB-O 3.45Å; A655-W663 HydrophobicContact CB-CD2 3.53Å; A655-W663 HydrophobicContact CB-CE3 3.64Å; A655-W663 HydrophobicContact CB-CG 4.03Å; A655-W663 HydrophobicContact CB-CH2 4.02Å; A655-W663 HydrophobicContact CB-CZ2 3.93Å; A655-W663 HydrophobicContact CB-CZ3 3.86Å; A655-Y689 CarbonylContact O-C 3.58Å; A655-Y689 VanDerWaalsContact O-C 3.3Å; A655-Y689 WeakPolarHBondContact O-CA 3.33Å; A655-T690 WeakPolarHBondContact CB-OG1 3.37Å; A655-T690 PolarHBondContact N-O 2.75Å; A655-T690 PolarHBondContact O-N 2.82Å; A655-T690 PolarHBondContact O-OG1 2.84Å
656	T	83.9	Confident	82.8	Confident	22 Å²	22	54.1 Å²	54.1	14%	0.135	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	172.5	-162.3	83	0	0	0	0	118.7	Y654 N659 R660 V687 N688 Y689	Y654-T656 HydrophobicContact CD2-CG2 4.44Å; Y654-T656 HydrophobicContact CE2-CG2 4.21Å; T656-N659 PolarHBondContact N-O 2.95Å; T656-N659 CarbonylContact O-C 3.58Å; T656-N659 PolarHBondContact OG1-N 2.79Å; T656-R660 WeakPolarHBondContact O-CA 3.47Å; T656-R660 VanDerWaalsContact O-CG 3.24Å; T656-R660 WeakPolarHBondContact O-CG 3.31Å; T656-R660 PolarHBondContact O-N 3.06Å; T656-V687 HydrophobicContact CG2-CG1 4.29Å; T656-N688 CarbonylContact C-O 3.32Å; T656-N688 WeakPolarHBondContact CA-O 3.34Å; T656-N688 VanDerWaalsContact CB-O 3.25Å; T656-N688 WeakPolarHBondContact CB-O 3.21Å; T656-Y689 HydrophobicContact CG2-CD1 4.11Å; T656-Y689 HydrophobicContact CG2-CE1 3.93Å
657	A	80.2	Confident	82.8	Confident	29 Å²	29	52.6 Å²	52.6	24%	0.24	26%	0.257	C	S	.	.	S	Bend	trans	-73	-42.5	-177.5	0	0	0	0	0	116	N659 N688	A657-N659 VanDerWaalsContact C-N 3.33Å; A657-N688 HydrophobicContact CB-CB 3.62Å; A657-N688 PolarHBondContact N-O 2.73Å
658	F	75.6	Confident	82.7	Confident	91 Å²	91	55.2 Å²	55.2	40%	0.399	27%	0.269	S	S	.	.	S	Bend	trans	-69.9	-37.3	173.4	-62.5	-45.7	0	0	0	110.5	W686 V687 E745	F658-W686 HydrophobicContact CE1-CE3 4.34Å; F658-W686 HydrophobicContact CE1-CZ3 4.45Å; F658-W686 HydrophobicContact CE2-CB 4.17Å; F658-W686 HydrophobicContact CE2-CD2 4.24Å; F658-W686 AromaticContact CE2-CE3 3.87Å; F658-W686 HydrophobicContact CE2-CE3 3.87Å; F658-W686 HydrophobicContact CE2-CG 4.39Å; F658-W686 WeakPolarHBondContact CE2-O 3.31Å; F658-W686 HydrophobicContact CZ-CB 4.31Å; F658-W686 AromaticContact CZ-CD2 3.62Å; F658-W686 HydrophobicContact CZ-CD2 3.62Å; F658-W686 AromaticContact CZ-CE3 3.39Å; F658-W686 HydrophobicContact CZ-CE3 3.39Å; F658-W686 HydrophobicContact CZ-CG 4.04Å; F658-W686 AromaticContact CZ-CZ3 3.9Å; F658-W686 HydrophobicContact CZ-CZ3 3.9Å; F658-W686 WeakPolarHBondContact CZ-O 3.25Å; F658-V687 HydrophobicContact CD2-CG1 3.79Å; F658-V687 HydrophobicContact CE2-CG1 4.21Å; F658-V687 HydrophobicContact CE2-CG2 4.38Å; F658-V687 HydrophobicContact CG-CG1 4.45Å; F658-E745 WeakPolarHBondContact CB-OE1 3.35Å
659	N	72.6	Confident	82.5	Confident	56 Å²	56	56.8 Å²	56.8	30%	0.299	27%	0.273	S	S	.	.			trans	-129	76.1	-175.7	-153.5	-25.2	0	0	0	111.2	T656 A657 N661 L662	T656-N659 PolarHBondContact N-O 2.95Å; T656-N659 CarbonylContact O-C 3.58Å; T656-N659 PolarHBondContact OG1-N 2.79Å; A657-N659 VanDerWaalsContact C-N 3.33Å; N659-N661 PolarHBondContact O-N 3.32Å; N659-L662 HydrophobicContact CB-CB 4.02Å; N659-L662 HydrophobicContact CB-CD2 4.34Å; N659-L662 PolarHBondContact O-N 3.1Å
660	R	69	Low	82.4	Confident	192 Å²	192	60.2 Å²	60.2	73%	0.725	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.5	-175.9	-62.4	-178.6	-175.3	-163.2	0.1	114.6	T656	T656-R660 WeakPolarHBondContact O-CA 3.47Å; T656-R660 VanDerWaalsContact O-CG 3.24Å; T656-R660 WeakPolarHBondContact O-CG 3.31Å; T656-R660 PolarHBondContact O-N 3.06Å
661	N	72.5	Confident	81.9	Confident	141 Å²	141	63.2 Å²	63.2	75%	0.754	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-2.7	-175.3	-58.1	-14	0	0	0	112.4	N659	N659-N661 PolarHBondContact O-N 3.32Å
662	L	75.9	Confident	81.6	Confident	91 Å²	91	65 Å²	65	48%	0.476	32%	0.316	S	S	.	.			trans	-107.4	113.2	-170.3	-176.1	71.8	0	0	0	112.1	A655 N659	A655-L662 WeakPolarHBondContact CA-O 3.28Å; A655-L662 WeakPolarHBondContact CB-O 3.45Å; N659-L662 HydrophobicContact CB-CB 4.02Å; N659-L662 HydrophobicContact CB-CD2 4.34Å; N659-L662 PolarHBondContact O-N 3.1Å
663	W	81.2	Confident	81.1	Confident	65 Å²	65	73.3 Å²	73.3	25%	0.246	36%	0.361	C	S	.	.			trans	-101.8	146.7	-172.7	-63.9	88.2	0	0	0	114.1	Y654 A655 F691 R692 Y706	Y654-W663 VanDerWaalsContact C-CE3 3.41Å; Y654-W663 CarbonylContact O-C 3.47Å; Y654-W663 WeakPolarHBondContact O-CA 3.29Å; A655-W663 HydrophobicContact CB-CD2 3.53Å; A655-W663 HydrophobicContact CB-CE3 3.64Å; A655-W663 HydrophobicContact CB-CG 4.03Å; A655-W663 HydrophobicContact CB-CH2 4.02Å; A655-W663 HydrophobicContact CB-CZ2 3.93Å; A655-W663 HydrophobicContact CB-CZ3 3.86Å; W663-F691 VanDerWaalsContact CZ3-C 3.41Å; W663-R692 HydrophobicContact CD2-CG 4.08Å; W663-R692 HydrophobicContact CE3-CB 4.17Å; W663-R692 HydrophobicContact CE3-CG 3.62Å; W663-R692 HydrophobicContact CH2-CB 4.48Å; W663-R692 HydrophobicContact CZ3-CB 4.02Å; W663-R692 HydrophobicContact CZ3-CG 4Å; W663-Y706 HydrophobicContact CD2-CE1 4.48Å; W663-Y706 AromaticContact CE2-CE1 3.76Å; W663-Y706 AromaticContact CH2-CD1 3.87Å; W663-Y706 HydrophobicContact CH2-CD1 3.87Å; W663-Y706 HydrophobicContact CH2-CE1 4.1Å; W663-Y706 AromaticContact CZ2-CD1 3.73Å; W663-Y706 HydrophobicContact CZ2-CD1 3.73Å; W663-Y706 AromaticContact CZ2-CE1 3.54Å; W663-Y706 HydrophobicContact CZ2-CE1 3.54Å
664	T	79.5	Confident	80.6	Confident	50 Å²	50	78 Å²	78	31%	0.307	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	115.3	-163.2	-45.9	0	0	0	0	111.5	E653 Y654	E653-T664 CarbonylContact C-O 3.2Å; E653-T664 WeakPolarHBondContact CA-O 2.98Å; E653-T664 WeakPolarHBondContact CB-O 3.45Å; Y654-T664 HydrophobicContact CD1-CG2 4.38Å; Y654-T664 WeakPolarHBondContact CD1-O 3.47Å; Y654-T664 HydrophobicContact CD2-CG2 4.48Å; Y654-T664 HydrophobicContact CE1-CG2 3.82Å; Y654-T664 HydrophobicContact CE2-CG2 3.88Å; Y654-T664 PolarHBondContact N-O 3.14Å; Y654-T664 WeakPolarHBondContact O-CA 3.29Å; Y654-T664 VanDerWaalsContact O-CB 3.32Å; Y654-T664 WeakPolarHBondContact O-CB 3.37Å; Y654-T664 PolarHBondContact O-N 2.81Å; Y654-T664 PolarHBondContact O-OG1 3.19Å
665	K	75.8	Confident	80.3	Confident	103 Å²	103	83.6 Å²	83.6	45%	0.448	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	150.9	-169.1	-171.7	-177.2	173.4	-162.2	0	115.3	V652 E653 E668	V652-K665 CarbonylContact O-C 3.55Å; V652-K665 WeakPolarHBondContact O-CA 3.04Å; E653-K665 HydrophobicContact CG-CB 4.13Å; E653-K665 HydrophobicContact CG-CG 4.31Å; K665-E668 WeakPolarHBondContact CE-OE1 3.42Å; K665-E668 VanDerWaalsContact NZ-CD 3.33Å; K665-E668 IonicContact NZ-OE1 2.73Å; K665-E668 PolarHBondContact NZ-OE1 2.72Å
666	T	73.2	Confident	80.3	Confident	41 Å²	41	87.3 Å²	87.3	25%	0.252	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	-53.7	-173.2	70	0	0	0	0	116.5	V652 Y654 I680 I681	V652-T666 PolarHBondContact O-N 3.1Å; V652-T666 PolarHBondContact O-OG1 2.61Å; Y654-T666 HydrophobicContact CD1-CG2 3.61Å; Y654-T666 HydrophobicContact CE1-CG2 4.23Å; T666-I680 WeakPolarHBondContact CB-O 3.5Å; T666-I680 PolarHBondContact OG1-O 3.47Å; T666-I681 HydrophobicContact CG2-CB 4.12Å; T666-I681 HydrophobicContact CG2-CD1 3.97Å; T666-I681 HydrophobicContact CG2-CG1 3.72Å; T666-I681 HydrophobicContact CG2-CG2 4.01Å
667	V	84.7	Confident	80.7	Confident	38 Å²	38	87.2 Å²	87.2	23%	0.23	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.7	-172.4	167.5	0	0	0	0	112.1	K651 V652 A679 I680	K651-V667 CarbonylContact C-O 3.52Å; K651-V667 VanDerWaalsContact CA-O 3.31Å; K651-V667 WeakPolarHBondContact CA-O 3.34Å; V652-V667 PolarHBondContact N-O 2.78Å; V667-A679 HydrophobicContact CB-CB 3.83Å; V667-A679 HydrophobicContact CG1-CB 3.54Å; V667-A679 HydrophobicContact CG2-CB 4.5Å; V667-I680 WeakPolarHBondContact CG2-O 3.35Å
668	E	86.3	Confident	81.3	Confident	69 Å²	69	90.5 Å²	90.5	32%	0.322	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.6	174.2	-49.2	-169.4	122	0	0	111.7	K649 Y650 K651 K665	K649-E668 HydrophobicContact CD-CB 4.39Å; K649-E668 WeakPolarHBondContact CE-OE1 3.33Å; K649-E668 WeakPolarHBondContact CE-OE2 3.4Å; K649-E668 VanDerWaalsContact NZ-CD 3.27Å; K649-E668 IonicContact NZ-OE1 2.69Å; K649-E668 PolarHBondContact NZ-OE1 2.89Å; K649-E668 IonicContact NZ-OE2 2.79Å; K649-E668 PolarHBondContact NZ-OE2 2.94Å; Y650-E668 WeakPolarHBondContact O-CA 3.49Å; Y650-E668 VanDerWaalsContact O-CB 3.31Å; Y650-E668 WeakPolarHBondContact O-CB 3.48Å; K651-E668 WeakPolarHBondContact CE-OE1 3.41Å; K651-E668 HydrophobicContact CG-CG 4.07Å; K665-E668 WeakPolarHBondContact CE-OE1 3.42Å; K665-E668 VanDerWaalsContact NZ-CD 3.33Å; K665-E668 IonicContact NZ-OE1 2.73Å; K665-E668 PolarHBondContact NZ-OE1 2.72Å
669	E	86	Confident	82	Confident	77 Å²	77	86.6 Å²	86.6	36%	0.36	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.7	175.5	-68.9	-75	123.5	0	0	110.9	W637 K649 Y650 Y677 E678	W637-E669 HydrophobicContact CH2-CB 4.25Å; W637-E669 HydrophobicContact CH2-CG 3.61Å; W637-E669 HydrophobicContact CZ2-CB 3.85Å; W637-E669 HydrophobicContact CZ2-CG 3.73Å; K649-E669 CarbonylContact C-O 3.55Å; K649-E669 VanDerWaalsContact CA-O 3.26Å; K649-E669 WeakPolarHBondContact CA-O 3.34Å; K649-E669 WeakPolarHBondContact CB-O 3.22Å; Y650-E669 PolarHBondContact N-O 3.15Å; Y650-E669 PolarHBondContact O-N 2.89Å; Y650-E669 VanDerWaalsContact O-N 3.15Å; E669-Y677 HydrophobicContact CB-CD1 4.16Å; E669-E678 WeakPolarHBondContact CG-O 3.4Å
670	E	88.5	Confident	82.8	Confident	117 Å²	117	88.5 Å²	88.5	55%	0.547	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	144.8	-178.2	-64.9	-66.9	140.3	0	0	113.1	K649 T672 Y677	K649-E670 WeakPolarHBondContact CD-OE1 3.06Å; E670-T672 PolarHBondContact O-N 2.79Å; E670-Y677 WeakPolarHBondContact O-CE1 3.46Å
671	K	84.1	Confident	83.7	Confident	62 Å²	62	79.8 Å²	79.8	27%	0.27	40%	0.399	S	S	.	.			trans	-67.4	128	178	176.1	168.5	175.2	163.7	0	110.4	E639 E642 I647 T648 Y650	E639-K671 WeakPolarHBondContact OE1-CE 3.47Å; E639-K671 IonicContact OE1-NZ 2.76Å; E639-K671 PolarHBondContact OE1-NZ 2.92Å; E642-K671 IonicContact OE1-NZ 3.14Å; E642-K671 PolarHBondContact OE1-NZ 2.83Å; I647-K671 HydrophobicContact CB-CD 3.71Å; I647-K671 HydrophobicContact CG2-CB 4.43Å; I647-K671 HydrophobicContact CG2-CD 3.57Å; T648-K671 VanDerWaalsContact O-CB 3.27Å; T648-K671 WeakPolarHBondContact O-CB 3.46Å; T648-K671 PolarHBondContact O-N 2.84Å; Y650-K671 HydrophobicContact CE2-CB 4.43Å
672	T	85	Confident	84.3	Confident	64 Å²	64	77.8 Å²	77.8	39%	0.393	39%	0.389	S	S	.	.			trans	-116.1	-175.2	171.8	67.9	0	0	0	0	110	E670 Q674 Y677	E670-T672 PolarHBondContact O-N 2.79Å; T672-Q674 PolarHBondContact O-N 2.69Å; T672-Q674 VanDerWaalsContact O-N 3.15Å; T672-Q674 VanDerWaalsContact OG1-CB 3.26Å; T672-Q674 WeakPolarHBondContact OG1-CB 3.34Å; T672-Q674 WeakPolarHBondContact OG1-CG 3.41Å; T672-Q674 PolarHBondContact OG1-N 2.84Å; T672-Q674 VanDerWaalsContact OG1-N 3.1Å; T672-Y677 PolarHBondContact N-OH 2.82Å; T672-Y677 VanDerWaalsContact N-OH 3.12Å; T672-Y677 PolarHBondContact O-OH 2.81Å
673	N	80.1	Confident	84.9	Confident	176 Å²	176	75.3 Å²	75.3	94%	0.941	38%	0.376	S	S	*	.	S	Bend	trans	-72.4	8.1	168.3	-66.8	-12.3	0	0	0	113.1
674	Q	81.1	Confident	85	Confident	122 Å²	122	75.4 Å²	75.4	57%	0.57	39%	0.386	S	S	*	.			trans	-93.3	161.5	175.9	-55.7	-178.5	12.6	0	0	112.3	T672 Y677	T672-Q674 PolarHBondContact O-N 2.69Å; T672-Q674 VanDerWaalsContact O-N 3.15Å; T672-Q674 VanDerWaalsContact OG1-CB 3.26Å; T672-Q674 WeakPolarHBondContact OG1-CB 3.34Å; T672-Q674 WeakPolarHBondContact OG1-CG 3.41Å; T672-Q674 PolarHBondContact OG1-N 2.84Å; T672-Q674 VanDerWaalsContact OG1-N 3.1Å; Q674-Y677 PolarHBondContact O-OH 3.39Å
675	K	84.5	Confident	85.2	Confident	149 Å²	149	77 Å²	77	65%	0.648	40%	0.397	S	S	*	.	S	Bend	trans	-107.6	9.6	-176.5	-55.7	-165.8	174.1	-166.5	0	114.6	A638	A638-K675 WeakPolarHBondContact CA-O 3.29Å; A638-K675 VanDerWaalsContact CB-O 3.27Å; A638-K675 WeakPolarHBondContact CB-O 3.45Å
676	T	87.3	Confident	85.8	Confident	78 Å²	78	76.8 Å²	76.8	48%	0.479	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	146.2	-169.7	48.1	0	0	0	0	114.3	W637	W637-T676 CarbonylContact O-C 3.59Å; W637-T676 WeakPolarHBondContact O-CA 3.12Å
677	Y	92.3	Very high	86.5	Confident	21 Å²	21	75.6 Å²	75.6	8%	0.082	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	167.4	-163.8	-58.2	-92.5	0	0	0	115.6	R636 W637 Y650 E669 E670 T672 Q674	R636-Y677 CarbonylContact C-O 3.31Å; R636-Y677 WeakPolarHBondContact CA-O 3.36Å; W637-Y677 HydrophobicContact CZ2-CG 4.44Å; W637-Y677 PolarHBondContact N-O 3.19Å; W637-Y677 AromaticContact NE1-CD2 3.96Å; W637-Y677 AromaticContact NE1-CG 3.9Å; W637-Y677 PolarHBondContact O-N 2.98Å; Y650-Y677 HydrophobicContact CD2-CD1 4.2Å; Y650-Y677 HydrophobicContact CD2-CD2 4.14Å; Y650-Y677 HydrophobicContact CD2-CE1 4.19Å; Y650-Y677 HydrophobicContact CD2-CE2 4.18Å; Y650-Y677 HydrophobicContact CD2-CG 4.21Å; Y650-Y677 HydrophobicContact CE2-CD1 4.3Å; Y650-Y677 AromaticContact CE2-CD2 3.83Å; Y650-Y677 HydrophobicContact CE2-CD2 3.83Å; Y650-Y677 AromaticContact CE2-CE1 3.91Å; Y650-Y677 HydrophobicContact CE2-CE1 3.91Å; Y650-Y677 AromaticContact CE2-CE2 3.44Å; Y650-Y677 HydrophobicContact CE2-CE2 3.44Å; Y650-Y677 VanDerWaalsContact CE2-CE2 3.44Å; Y650-Y677 HydrophobicContact CE2-CG 4.29Å; Y650-Y677 AromaticContact CE2-CZ 3.5Å; Y650-Y677 AromaticContact CZ-CE2 3.78Å; E669-Y677 HydrophobicContact CB-CD1 4.16Å; E670-Y677 WeakPolarHBondContact O-CE1 3.46Å; T672-Y677 PolarHBondContact N-OH 2.82Å; T672-Y677 VanDerWaalsContact N-OH 3.12Å; T672-Y677 PolarHBondContact O-OH 2.81Å; Q674-Y677 PolarHBondContact O-OH 3.39Å
678	E	91.9	Very high	86.7	Confident	98 Å²	98	77.2 Å²	77.2	46%	0.458	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	162.7	-176	61.7	-176.7	-155	0	0	119	I635 R636 W637 E669	I635-E678 CarbonylContact O-C 3.48Å; I635-E678 VanDerWaalsContact O-CA 3.29Å; I635-E678 WeakPolarHBondContact O-CA 3.49Å; I635-E678 WeakPolarHBondContact O-CB 3.37Å; R636-E678 HydrophobicContact CB-CB 4.48Å; R636-E678 HydrophobicContact CG-CB 3.81Å; R636-E678 IonicContact CZ-OE2 2.69Å; R636-E678 IonicContact NE-OE2 3.87Å; R636-E678 PolarHBondContact NE-OE2 2.9Å; R636-E678 IonicContact NH2-OE1 2.9Å; R636-E678 IonicContact NH2-OE2 3.96Å; R636-E678 PolarHBondContact NH2-OE2 2.58Å; W637-E678 WeakPolarHBondContact CH2-O 3.24Å; W637-E678 VanDerWaalsContact CZ3-C 3.45Å; E669-E678 WeakPolarHBondContact CG-O 3.4Å
679	A	90.2	Very high	86.9	Confident	8 Å²	8	74.1 Å²	74.1	7%	0.066	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	174.7	-166.4	0	0	0	0	0	121.2	L634 I635 W637 V652 V667	L634-A679 CarbonylContact C-O 3.57Å; L634-A679 VanDerWaalsContact CA-O 3.25Å; L634-A679 WeakPolarHBondContact CA-O 3.31Å; L634-A679 WeakPolarHBondContact CD1-O 3.34Å; I635-A679 HydrophobicContact CB-CB 4.4Å; I635-A679 HydrophobicContact CG2-CB 4.44Å; I635-A679 PolarHBondContact N-O 3.06Å; I635-A679 PolarHBondContact O-N 2.73Å; W637-A679 HydrophobicContact CH2-CB 3.81Å; W637-A679 HydrophobicContact CZ3-CB 3.59Å; V652-A679 HydrophobicContact CB-CB 4.24Å; V652-A679 HydrophobicContact CG1-CB 4.39Å; V652-A679 HydrophobicContact CG2-CB 3.56Å; V667-A679 HydrophobicContact CB-CB 3.83Å; V667-A679 HydrophobicContact CG1-CB 3.54Å; V667-A679 HydrophobicContact CG2-CB 4.5Å
680	I	90.2	Very high	87.1	Confident	97 Å²	97	72.6 Å²	72.6	50%	0.497	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	171.8	-172.2	-73.1	177.3	0	0	0	116.8	A633 L634 T666 V667	A633-I680 CarbonylContact O-C 3.52Å; A633-I680 WeakPolarHBondContact O-CA 3.46Å; A633-I680 WeakPolarHBondContact O-CG2 3.18Å; L634-I680 HydrophobicContact CB-CG1 4.42Å; L634-I680 HydrophobicContact CD1-CD1 4.21Å; L634-I680 HydrophobicContact CD1-CG1 3.75Å; T666-I680 WeakPolarHBondContact CB-O 3.5Å; T666-I680 PolarHBondContact OG1-O 3.47Å; V667-I680 WeakPolarHBondContact CG2-O 3.35Å
681	I	87.5	Confident	87.2	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.041	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.6	-166.2	-57.6	-160.8	0	0	0	118	Q632 A633 I635 Y654 T666 F691	Q632-I681 VanDerWaalsContact CA-O 3.27Å; Q632-I681 WeakPolarHBondContact CA-O 3.16Å; Q632-I681 WeakPolarHBondContact CB-O 3.47Å; A633-I681 HydrophobicContact CB-CB 3.78Å; A633-I681 HydrophobicContact CB-CD1 4.31Å; A633-I681 HydrophobicContact CB-CG1 4.21Å; A633-I681 HydrophobicContact CB-CG2 4.15Å; A633-I681 PolarHBondContact N-O 2.84Å; A633-I681 PolarHBondContact O-N 2.86Å; I635-I681 HydrophobicContact CD1-CD1 3.5Å; I635-I681 VanDerWaalsContact CD1-CD1 3.5Å; I635-I681 HydrophobicContact CD1-CG1 4.25Å; Y654-I681 HydrophobicContact CD1-CG2 3.9Å; Y654-I681 HydrophobicContact CE1-CG2 4.41Å; T666-I681 HydrophobicContact CG2-CB 4.12Å; T666-I681 HydrophobicContact CG2-CD1 3.97Å; T666-I681 HydrophobicContact CG2-CG1 3.72Å; T666-I681 HydrophobicContact CG2-CG2 4.01Å; I681-F691 HydrophobicContact CD1-CB 4.35Å; I681-F691 HydrophobicContact CD1-CD1 3.2Å; I681-F691 HydrophobicContact CD1-CE1 3.68Å; I681-F691 HydrophobicContact CD1-CG 3.97Å; I681-F691 HydrophobicContact CG2-CE1 4.18Å
682	N	86.1	Confident	87.6	Confident	100 Å²	100	66.1 Å²	66.1	54%	0.535	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.6	173	-88	-6	0	0	0	116.8	R631 Q632 Y654	R631-N682 CarbonylContact O-C 3.44Å; R631-N682 WeakPolarHBondContact O-CA 3.35Å; Q632-N682 WeakPolarHBondContact CG-OD1 3.38Å; Q632-N682 PolarHBondContact NE2-OD1 2.68Å; Y654-N682 VanDerWaalsContact CE1-O 3.26Å; Y654-N682 WeakPolarHBondContact CE1-O 3.48Å
683	L	88	Confident	88	Confident	39 Å²	39	63.1 Å²	63.1	20%	0.204	33%	0.326	C	S	.	.			trans	-129.6	174.1	-169	-47.8	-178.7	0	0	0	120.5	R631 Y689	R631-L683 WeakPolarHBondContact O-CG 3.48Å; R631-L683 PolarHBondContact O-N 3.23Å; R631-L683 VanDerWaalsContact O-N 3.12Å; L683-Y689 HydrophobicContact CB-CE1 4.49Å; L683-Y689 HydrophobicContact CB-CE2 4.04Å; L683-Y689 HydrophobicContact CD1-CD2 4.09Å; L683-Y689 HydrophobicContact CD1-CE2 4.22Å; L683-Y689 HydrophobicContact CD2-CD1 3.63Å; L683-Y689 HydrophobicContact CD2-CD2 3.69Å; L683-Y689 HydrophobicContact CD2-CE1 3.85Å; L683-Y689 HydrophobicContact CD2-CE2 3.95Å; L683-Y689 HydrophobicContact CD2-CG 3.57Å; L683-Y689 HydrophobicContact CG-CD2 4.33Å; L683-Y689 HydrophobicContact CG-CE2 4.28Å
684	S	82.2	Confident	88.6	Confident	66 Å²	66	55.2 Å²	55.2	46%	0.462	28%	0.284	S	S	.	.			trans	-141.6	165.6	-169.6	-159.5	0	0	0	0	115.5	Y689 T713	S684-Y689 WeakPolarHBondContact CA-OH 3.37Å; S684-Y689 VanDerWaalsContact CB-OH 3.31Å; S684-Y689 WeakPolarHBondContact CB-OH 3.23Å; S684-Y689 PolarHBondContact N-OH 3.01Å; S684-Y689 PolarHBondContact O-OH 3.04Å; S684-T713 VanDerWaalsContact O-CB 3.29Å; S684-T713 WeakPolarHBondContact O-CB 3.35Å; S684-T713 VanDerWaalsContact O-CG2 3.27Å; S684-T713 WeakPolarHBondContact O-CG2 3.42Å; S684-T713 PolarHBondContact O-OG1 3.3Å
685	P	85.2	Confident	89.2	Confident	83 Å²	83	49.4 Å²	49.4	54%	0.539	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	140.8	-165.4	-5.7	23.6	0	0	0	119.8	V687 T713 P714	P685-V687 WeakPolarHBondContact O-CG2 3.49Å; P685-T713 WeakPolarHBondContact CA-OG1 3.02Å; P685-P714 CarbonylContact C-O 3.43Å; P685-P714 VanDerWaalsContact CA-O 3.25Å; P685-P714 WeakPolarHBondContact CA-O 3.38Å; P685-P714 WeakPolarHBondContact CB-O 3.45Å
686	W	88.3	Confident	89.5	Confident	100 Å²	100	42.8 Å²	42.8	38%	0.379	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	17.8	-176.5	-149.4	32.7	0	0	0	118.1	F658 T713 P714 P715	F658-W686 HydrophobicContact CE1-CE3 4.34Å; F658-W686 HydrophobicContact CE1-CZ3 4.45Å; F658-W686 HydrophobicContact CE2-CB 4.17Å; F658-W686 HydrophobicContact CE2-CD2 4.24Å; F658-W686 AromaticContact CE2-CE3 3.87Å; F658-W686 HydrophobicContact CE2-CE3 3.87Å; F658-W686 HydrophobicContact CE2-CG 4.39Å; F658-W686 WeakPolarHBondContact CE2-O 3.31Å; F658-W686 HydrophobicContact CZ-CB 4.31Å; F658-W686 AromaticContact CZ-CD2 3.62Å; F658-W686 HydrophobicContact CZ-CD2 3.62Å; F658-W686 AromaticContact CZ-CE3 3.39Å; F658-W686 HydrophobicContact CZ-CE3 3.39Å; F658-W686 HydrophobicContact CZ-CG 4.04Å; F658-W686 AromaticContact CZ-CZ3 3.9Å; F658-W686 HydrophobicContact CZ-CZ3 3.9Å; F658-W686 WeakPolarHBondContact CZ-O 3.25Å; W686-T713 CarbonylContact C-O 3.35Å; W686-T713 VanDerWaalsContact CA-O 3.27Å; W686-T713 WeakPolarHBondContact CA-O 3.44Å; W686-T713 PolarHBondContact N-OG1 3.01Å; W686-P714 VanDerWaalsContact CA-C 3.46Å; W686-P714 VanDerWaalsContact CA-CA 3.44Å; W686-P714 VanDerWaalsContact N-CA 3.31Å; W686-P714 PolarHBondContact N-O 3.01Å; W686-P715 HydrophobicContact CB-CB 3.79Å; W686-P715 HydrophobicContact CD2-CB 3.76Å; W686-P715 HydrophobicContact CD2-CG 4.3Å; W686-P715 HydrophobicContact CE3-CB 4.2Å; W686-P715 HydrophobicContact CG-CB 3.56Å; W686-P715 HydrophobicContact CG-CG 4.02Å
687	V	87.8	Confident	89.6	Confident	15 Å²	15	39.4 Å²	39.4	9%	0.091	21%	0.207	C	C	.	.			trans	-132.2	159.1	-160.7	-139.5	0	0	0	0	113.8	T656 F658 P685 Y689 T712 T713	T656-V687 HydrophobicContact CG2-CG1 4.29Å; F658-V687 HydrophobicContact CD2-CG1 3.79Å; F658-V687 HydrophobicContact CE2-CG1 4.21Å; F658-V687 HydrophobicContact CE2-CG2 4.38Å; F658-V687 HydrophobicContact CG-CG1 4.45Å; P685-V687 WeakPolarHBondContact O-CG2 3.49Å; V687-Y689 HydrophobicContact CB-CE2 4.18Å; V687-Y689 WeakPolarHBondContact O-CE2 3.41Å; V687-T712 CarbonylContact O-C 3.52Å; V687-T712 VanDerWaalsContact O-C 3.28Å; V687-T712 VanDerWaalsContact O-CA 3.23Å; V687-T712 WeakPolarHBondContact O-CA 2.88Å; V687-T713 PolarHBondContact N-OG1 3.09Å; V687-T713 PolarHBondContact O-N 3.06Å; V687-T713 PolarHBondContact O-OG1 2.74Å
688	N	87.4	Confident	89.2	Confident	72 Å²	72	46.9 Å²	46.9	39%	0.385	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-115.1	172.1	169.1	-26.3	-5.4	0	0	0	111.5	T656 A657 C711 T712	T656-N688 CarbonylContact C-O 3.32Å; T656-N688 WeakPolarHBondContact CA-O 3.34Å; T656-N688 VanDerWaalsContact CB-O 3.25Å; T656-N688 WeakPolarHBondContact CB-O 3.21Å; A657-N688 HydrophobicContact CB-CB 3.62Å; A657-N688 PolarHBondContact N-O 2.73Å; N688-C711 CarbonylContact C-O 3.55Å; N688-C711 VanDerWaalsContact C-O 3.3Å; N688-C711 WeakPolarHBondContact CA-O 3.49Å; N688-C711 VanDerWaalsContact CB-O 3.22Å; N688-C711 WeakPolarHBondContact CB-O 3.4Å; N688-T712 WeakPolarHBondContact OD1-CG2 3.46Å
689	Y	90.9	Very high	88.5	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.1	-162.3	-64	-89.2	0	0	0	117.2	Y654 A655 T656 L683 S684 V687 T710 C711 T713	Y654-Y689 AromaticContact CD2-CD1 3.55Å; Y654-Y689 HydrophobicContact CD2-CD1 3.55Å; Y654-Y689 AromaticContact CD2-CE1 3.97Å; Y654-Y689 HydrophobicContact CD2-CE1 3.97Å; Y654-Y689 AromaticContact CE2-CD1 3.54Å; Y654-Y689 HydrophobicContact CE2-CD1 3.54Å; Y654-Y689 AromaticContact CE2-CE1 3.43Å; Y654-Y689 HydrophobicContact CE2-CE1 3.43Å; Y654-Y689 VanDerWaalsContact CE2-CE1 3.43Å; Y654-Y689 HydrophobicContact CG-CD1 4.34Å; Y654-Y689 AromaticContact CZ-CE1 3.94Å; A655-Y689 CarbonylContact O-C 3.58Å; A655-Y689 VanDerWaalsContact O-C 3.3Å; A655-Y689 WeakPolarHBondContact O-CA 3.33Å; T656-Y689 HydrophobicContact CG2-CD1 4.11Å; T656-Y689 HydrophobicContact CG2-CE1 3.93Å; L683-Y689 HydrophobicContact CB-CE1 4.49Å; L683-Y689 HydrophobicContact CB-CE2 4.04Å; L683-Y689 HydrophobicContact CD1-CD2 4.09Å; L683-Y689 HydrophobicContact CD1-CE2 4.22Å; L683-Y689 HydrophobicContact CD2-CD1 3.63Å; L683-Y689 HydrophobicContact CD2-CD2 3.69Å; L683-Y689 HydrophobicContact CD2-CE1 3.85Å; L683-Y689 HydrophobicContact CD2-CE2 3.95Å; L683-Y689 HydrophobicContact CD2-CG 3.57Å; L683-Y689 HydrophobicContact CG-CD2 4.33Å; L683-Y689 HydrophobicContact CG-CE2 4.28Å; S684-Y689 WeakPolarHBondContact CA-OH 3.37Å; S684-Y689 VanDerWaalsContact CB-OH 3.31Å; S684-Y689 WeakPolarHBondContact CB-OH 3.23Å; S684-Y689 PolarHBondContact N-OH 3.01Å; S684-Y689 PolarHBondContact O-OH 3.04Å; V687-Y689 HydrophobicContact CB-CE2 4.18Å; V687-Y689 WeakPolarHBondContact O-CE2 3.41Å; Y689-T710 WeakPolarHBondContact O-CA 3.45Å; Y689-T710 WeakPolarHBondContact O-CB 3.47Å; Y689-T710 WeakPolarHBondContact O-CG2 3.46Å; Y689-C711 WeakPolarHBondContact CD2-O 3.47Å; Y689-C711 PolarHBondContact N-O 2.98Å; Y689-T713 HydrophobicContact CE2-CG2 4.3Å
690	T	89.9	Confident	88	Confident	46 Å²	46	45.5 Å²	45.5	28%	0.282	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	169.1	177.2	56.7	0	0	0	0	112.5	Y654 A655 T710	Y654-T690 CarbonylContact C-O 3.46Å; Y654-T690 WeakPolarHBondContact CA-O 3.45Å; Y654-T690 WeakPolarHBondContact CB-O 3.45Å; A655-T690 WeakPolarHBondContact CB-OG1 3.37Å; A655-T690 PolarHBondContact N-O 2.75Å; A655-T690 PolarHBondContact O-N 2.82Å; A655-T690 PolarHBondContact O-OG1 2.84Å; T690-T710 HydrophobicContact CG2-CG2 3.72Å
691	F	92.2	Very high	87.9	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.2	-169.5	-36.5	-75.6	0	0	0	119.9	V626 A633 I635 E653 W663 I681 S707 S709	V626-F691 HydrophobicContact CG1-CD2 3.64Å; V626-F691 HydrophobicContact CG1-CE2 4.05Å; V626-F691 HydrophobicContact CG1-CG 4.42Å; A633-F691 HydrophobicContact CB-CE1 4.19Å; A633-F691 HydrophobicContact CB-CZ 4.02Å; I635-F691 HydrophobicContact CD1-CB 3.82Å; I635-F691 HydrophobicContact CD1-CG 4.25Å; E653-F691 CarbonylContact O-C 3.54Å; E653-F691 VanDerWaalsContact O-CA 3.24Å; E653-F691 WeakPolarHBondContact O-CA 3.42Å; W663-F691 VanDerWaalsContact CZ3-C 3.41Å; I681-F691 HydrophobicContact CD1-CB 4.35Å; I681-F691 HydrophobicContact CD1-CD1 3.2Å; I681-F691 HydrophobicContact CD1-CE1 3.68Å; I681-F691 HydrophobicContact CD1-CG 3.97Å; I681-F691 HydrophobicContact CG2-CE1 4.18Å; F691-S707 WeakPolarHBondContact CA-OG 3.33Å; F691-S707 VanDerWaalsContact CB-OG 3.31Å; F691-S707 WeakPolarHBondContact CB-OG 3.27Å; F691-S707 PolarHBondContact N-OG 3.43Å; F691-S707 VanDerWaalsContact O-CB 3.29Å; F691-S707 WeakPolarHBondContact O-CB 3.4Å; F691-S707 PolarHBondContact O-N 2.88Å; F691-S707 PolarHBondContact O-OG 2.87Å; F691-S709 WeakPolarHBondContact CD2-O 3.49Å; F691-S709 VanDerWaalsContact CE2-O 3.29Å; F691-S709 WeakPolarHBondContact CE2-O 3.47Å
692	R	92.2	Very high	88	Confident	42 Å²	42	44 Å²	44	16%	0.158	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	174.8	177.7	76.2	177.8	-173	175.2	2	116.9	V652 E653 W663 A705 Y706	V652-R692 CarbonylContact C-O 3.54Å; V652-R692 WeakPolarHBondContact CA-O 3.44Å; V652-R692 WeakPolarHBondContact CG1-O 3.31Å; E653-R692 HydrophobicContact CB-CG 3.93Å; E653-R692 HydrophobicContact CG-CG 4.4Å; E653-R692 PolarHBondContact N-O 3.1Å; E653-R692 PolarHBondContact O-N 2.91Å; E653-R692 IonicContact OE2-CZ 2.68Å; E653-R692 IonicContact OE2-NE 3.41Å; E653-R692 PolarHBondContact OE2-NE 2.95Å; E653-R692 IonicContact OE2-NH2 2.7Å; E653-R692 PolarHBondContact OE2-NH2 3.16Å; W663-R692 HydrophobicContact CD2-CG 4.08Å; W663-R692 HydrophobicContact CE3-CB 4.17Å; W663-R692 HydrophobicContact CE3-CG 3.62Å; W663-R692 HydrophobicContact CH2-CB 4.48Å; W663-R692 HydrophobicContact CZ3-CB 4.02Å; W663-R692 HydrophobicContact CZ3-CG 4Å; R692-A705 CarbonylContact C-O 3.49Å; R692-A705 WeakPolarHBondContact CA-O 3.47Å; R692-A705 WeakPolarHBondContact CB-O 3.32Å; R692-Y706 HydrophobicContact CB-CD1 3.69Å; R692-Y706 HydrophobicContact CB-CE1 4.03Å; R692-Y706 HydrophobicContact CB-CG 4.23Å; R692-Y706 VanDerWaalsContact CD-CE1 3.46Å; R692-Y706 HydrophobicContact CG-CD1 4.5Å; R692-Y706 HydrophobicContact CG-CE1 4.37Å; R692-Y706 PolarHBondContact NH1-OH 2.85Å
693	V	93.4	Very high	88.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	150	-173.1	179.7	0	0	0	0	114.5	V623 I635 W637 K651 V652 P704 A705	V623-V693 HydrophobicContact CG2-CB 3.65Å; V623-V693 HydrophobicContact CG2-CG1 4.41Å; V623-V693 HydrophobicContact CG2-CG2 3.59Å; I635-V693 HydrophobicContact CG2-CG2 3.79Å; W637-V693 HydrophobicContact CB-CG1 3.94Å; W637-V693 HydrophobicContact CD2-CG1 3.63Å; W637-V693 HydrophobicContact CE3-CG1 4.04Å; W637-V693 HydrophobicContact CE3-CG2 4.2Å; W637-V693 HydrophobicContact CG-CG1 3.56Å; K651-V693 CarbonylContact O-C 3.58Å; K651-V693 VanDerWaalsContact O-CA 3.24Å; K651-V693 WeakPolarHBondContact O-CA 3.38Å; K651-V693 WeakPolarHBondContact O-CG1 3.36Å; V652-V693 HydrophobicContact CG1-CG2 4.38Å; V652-V693 HydrophobicContact CG2-CG2 4.13Å; V693-P704 CarbonylContact O-C 3.4Å; V693-P704 VanDerWaalsContact O-CA 3.3Å; V693-P704 WeakPolarHBondContact O-CA 3.07Å; V693-A705 PolarHBondContact N-O 3.29Å; V693-A705 PolarHBondContact O-N 3.28Å
694	I	93	Very high	88.2	Confident	10 Å²	10	45.7 Å²	45.7	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.7	-174.6	-71.9	165.8	0	0	0	112.2	Y650 K651 D701 P704	Y650-I694 CarbonylContact C-O 3.49Å; Y650-I694 VanDerWaalsContact CA-O 3.26Å; Y650-I694 WeakPolarHBondContact CA-O 3.35Å; Y650-I694 WeakPolarHBondContact CB-O 3.34Å; K651-I694 HydrophobicContact CB-CB 4.16Å; K651-I694 HydrophobicContact CD-CG2 4.35Å; K651-I694 PolarHBondContact N-O 2.67Å; K651-I694 PolarHBondContact O-N 3.34Å; I694-D701 HydrophobicContact CG2-CB 3.65Å; I694-P704 HydrophobicContact CD1-CB 4.23Å; I694-P704 HydrophobicContact CD1-CG 4.05Å; I694-P704 HydrophobicContact CG1-CB 3.7Å; I694-P704 HydrophobicContact CG1-CG 3.89Å
695	A	92.6	Very high	88.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	157	170.5	0	0	0	0	0	113	P621 Y650 D701 S702	P621-A695 HydrophobicContact CB-CB 4.31Å; P621-A695 HydrophobicContact CG-CB 4.16Å; Y650-A695 HydrophobicContact CD1-CB 3.55Å; Y650-A695 HydrophobicContact CE1-CB 3.64Å; A695-D701 CarbonylContact O-C 3.58Å; A695-D701 VanDerWaalsContact O-CA 3.27Å; A695-D701 WeakPolarHBondContact O-CA 3.49Å; A695-S702 PolarHBondContact O-N 3.19Å; A695-S702 PolarHBondContact O-OG 2.96Å
696	T	90	Very high	88.8	Confident	10 Å²	10	44.9 Å²	44.9	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134.6	-167	-53	0	0	0	0	113.3	I647 T648 K649 K651 G700 D701	I647-T696 WeakPolarHBondContact CG2-O 3.37Å; T648-T696 PolarHBondContact N-O 2.82Å; T648-T696 PolarHBondContact OG1-O 2.96Å; K649-T696 HydrophobicContact CG-CG2 4.17Å; K649-T696 PolarHBondContact N-O 2.91Å; K649-T696 VanDerWaalsContact N-O 3.12Å; K649-T696 WeakPolarHBondContact O-CB 3.43Å; K649-T696 PolarHBondContact O-N 2.86Å; K651-T696 VanDerWaalsContact CE-OG1 3.3Å; K651-T696 WeakPolarHBondContact CE-OG1 3.31Å; T696-G700 CarbonylContact C-O 3.45Å; T696-G700 WeakPolarHBondContact CA-O 3.47Å; T696-D701 WeakPolarHBondContact CB-OD1 3.45Å; T696-D701 WeakPolarHBondContact CG2-OD1 3Å; T696-D701 PolarHBondContact OG1-OD1 2.84Å
697	N	89.7	Confident	88.7	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.032	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-172.1	161.2	74.1	-0.1	0	0	0	111.3	D616 P618 E642 E645 S646 I647 R699 G700	D616-N697 PolarHBondContact O-ND2 3.48Å; D616-N697 VanDerWaalsContact O-ND2 3.12Å; P618-N697 VanDerWaalsContact CD-CG 3.48Å; P618-N697 WeakPolarHBondContact CD-OD1 3.42Å; P618-N697 HydrophobicContact CG-CB 3.54Å; E642-N697 PolarHBondContact O-ND2 3.44Å; E645-N697 PolarHBondContact O-ND2 3.31Å; S646-N697 WeakPolarHBondContact O-CB 3.38Å; I647-N697 HydrophobicContact CG1-CB 4.36Å; N697-R699 PolarHBondContact O-N 3.18Å; N697-R699 VanDerWaalsContact OD1-CA 3.32Å; N697-R699 WeakPolarHBondContact OD1-CA 3.24Å; N697-R699 VanDerWaalsContact OD1-CB 3.26Å; N697-R699 WeakPolarHBondContact OD1-CB 3.44Å; N697-R699 PolarHBondContact OD1-N 3.31Å; N697-G700 PolarHBondContact N-O 3.13Å; N697-G700 PolarHBondContact O-N 2.8Å; N697-G700 PolarHBondContact OD1-N 3.08Å; N697-G700 PolarHBondContact OD1-O 2.82Å
698	R	84.2	Confident	88.4	Confident	179 Å²	179	48.6 Å²	48.6	68%	0.675	24%	0.24	S	C	*	.	S	Bend	trans	-67	-10.8	175.2	-65.5	172.5	175.5	160.2	-3.6	115.1	E645 T648	E645-R698 HydrophobicContact CG-CB 3.81Å; E645-R698 HydrophobicContact CG-CG 4.49Å; E645-R698 WeakPolarHBondContact OE1-CD 3.36Å; E645-R698 IonicContact OE1-CZ 2.58Å; E645-R698 IonicContact OE1-NH1 3.39Å; E645-R698 PolarHBondContact OE1-NH1 3.32Å; T648-R698 HydrophobicContact CG2-CG 4.07Å
699	R	77.2	Confident	87.9	Confident	55 Å²	55	47.2 Å²	47.2	21%	0.208	24%	0.236	C	C	.	.	S	Bend	trans	-92	-35	174.3	-55.9	-67.5	145.8	-139.9	8.9	111.7	E536 D616 V617 E645 N697	E536-R699 VanDerWaalsContact CD-NH2 3.34Å; E536-R699 IonicContact OE1-CZ 3.54Å; E536-R699 IonicContact OE1-NH1 2.67Å; E536-R699 PolarHBondContact OE1-NH1 2.73Å; E536-R699 IonicContact OE1-NH2 2.84Å; E536-R699 PolarHBondContact OE1-NH2 2.84Å; E536-R699 IonicContact OE2-CZ 3.01Å; E536-R699 IonicContact OE2-NH1 2.76Å; E536-R699 PolarHBondContact OE2-NH1 2.97Å; E536-R699 IonicContact OE2-NH2 3.53Å; D616-R699 VanDerWaalsContact O-CG 3.26Å; D616-R699 WeakPolarHBondContact O-CG 3.41Å; V617-R699 HydrophobicContact CB-CB 4.49Å; V617-R699 HydrophobicContact CG1-CB 3.71Å; E645-R699 HydrophobicContact CB-CG 3.87Å; E645-R699 HydrophobicContact CG-CG 4.14Å; E645-R699 IonicContact OE2-CZ 2.69Å; E645-R699 IonicContact OE2-NE 2.9Å; E645-R699 IonicContact OE2-NH2 2.81Å; E645-R699 PolarHBondContact OE2-NH2 3.26Å; N697-R699 PolarHBondContact O-N 3.18Å; N697-R699 VanDerWaalsContact OD1-CA 3.32Å; N697-R699 WeakPolarHBondContact OD1-CA 3.24Å; N697-R699 VanDerWaalsContact OD1-CB 3.26Å; N697-R699 WeakPolarHBondContact OD1-CB 3.44Å; N697-R699 PolarHBondContact OD1-N 3.31Å
700	G	80.7	Confident	87.6	Confident	22 Å²	22	51.6 Å²	51.6	23%	0.227	26%	0.263	C	S	.	.			trans	156.8	-156.4	178.3	0	0	0	0	0	113.8	P618 T696 N697	P618-G700 WeakPolarHBondContact CD-O 3.5Å; T696-G700 CarbonylContact C-O 3.45Å; T696-G700 WeakPolarHBondContact CA-O 3.47Å; N697-G700 PolarHBondContact N-O 3.13Å; N697-G700 PolarHBondContact O-N 2.8Å; N697-G700 PolarHBondContact OD1-N 3.08Å; N697-G700 PolarHBondContact OD1-O 2.82Å
701	D	87.6	Confident	87.5	Confident	63 Å²	63	50.1 Å²	50.1	34%	0.337	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-96.2	159.2	-174.3	-71.6	-18	0	0	0	112.9	K651 I694 A695 T696	K651-D701 WeakPolarHBondContact CE-OD1 3.38Å; K651-D701 IonicContact NZ-OD1 3.74Å; K651-D701 PolarHBondContact NZ-OD1 2.72Å; K651-D701 IonicContact NZ-OD2 2.75Å; K651-D701 PolarHBondContact NZ-OD2 2.74Å; I694-D701 HydrophobicContact CG2-CB 3.65Å; A695-D701 CarbonylContact O-C 3.58Å; A695-D701 VanDerWaalsContact O-CA 3.27Å; A695-D701 WeakPolarHBondContact O-CA 3.49Å; T696-D701 WeakPolarHBondContact CB-OD1 3.45Å; T696-D701 WeakPolarHBondContact CG2-OD1 3Å; T696-D701 PolarHBondContact OG1-OD1 2.84Å
702	S	89.9	Confident	87.4	Confident	11 Å²	11	54.3 Å²	54.3	8%	0.077	28%	0.281	C	S	.	.			trans	-106.8	174.8	172.1	68.9	0	0	0	0	113.5	P618 E619 A695	P618-S702 WeakPolarHBondContact O-CB 3.33Å; E619-S702 WeakPolarHBondContact O-CB 3.19Å; E619-S702 PolarHBondContact O-OG 3.27Å; A695-S702 PolarHBondContact O-N 3.19Å; A695-S702 PolarHBondContact O-OG 2.96Å
703	E	88.5	Confident	87.1	Confident	145 Å²	145	54 Å²	54	68%	0.678	28%	0.284	S	S	*	.			trans	-61.1	142.4	-177.2	-70.9	-61.4	151.3	0	0	113.4	S620 P621	S620-E703 WeakPolarHBondContact CB-O 3.47Å; S620-E703 PolarHBondContact OG-O 2.99Å; P621-E703 WeakPolarHBondContact CD-O 3.31Å
704	P	89.7	Confident	86.9	Confident	28 Å²	28	58.1 Å²	58.1	18%	0.182	31%	0.311	C	S	.	.			trans	-84.2	152.5	-170.1	-11.5	29.8	0	0	0	115.4	V693 I694 Y706	V693-P704 CarbonylContact O-C 3.4Å; V693-P704 VanDerWaalsContact O-CA 3.3Å; V693-P704 WeakPolarHBondContact O-CA 3.07Å; I694-P704 HydrophobicContact CD1-CB 4.23Å; I694-P704 HydrophobicContact CD1-CG 4.05Å; I694-P704 HydrophobicContact CG1-CB 3.7Å; I694-P704 HydrophobicContact CG1-CG 3.89Å; P704-Y706 HydrophobicContact CB-CE2 4.33Å
705	A	91.1	Very high	86.7	Confident	16 Å²	16	61.5 Å²	61.5	13%	0.132	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.7	172.4	0	0	0	0	0	111.9	V623 R692 V693	V623-A705 HydrophobicContact CG2-CB 3.73Å; R692-A705 CarbonylContact C-O 3.49Å; R692-A705 WeakPolarHBondContact CA-O 3.47Å; R692-A705 WeakPolarHBondContact CB-O 3.32Å; V693-A705 PolarHBondContact N-O 3.29Å; V693-A705 PolarHBondContact O-N 3.28Å
706	Y	89.3	Confident	86.6	Confident	117 Å²	117	65.3 Å²	65.3	46%	0.459	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	170.6	-165.5	-65.9	-92.2	0	0	0	114.5	W663 R692 P704	W663-Y706 HydrophobicContact CD2-CE1 4.48Å; W663-Y706 AromaticContact CE2-CE1 3.76Å; W663-Y706 AromaticContact CH2-CD1 3.87Å; W663-Y706 HydrophobicContact CH2-CD1 3.87Å; W663-Y706 HydrophobicContact CH2-CE1 4.1Å; W663-Y706 AromaticContact CZ2-CD1 3.73Å; W663-Y706 HydrophobicContact CZ2-CD1 3.73Å; W663-Y706 AromaticContact CZ2-CE1 3.54Å; W663-Y706 HydrophobicContact CZ2-CE1 3.54Å; R692-Y706 HydrophobicContact CB-CD1 3.69Å; R692-Y706 HydrophobicContact CB-CE1 4.03Å; R692-Y706 HydrophobicContact CB-CG 4.23Å; R692-Y706 VanDerWaalsContact CD-CE1 3.46Å; R692-Y706 HydrophobicContact CG-CD1 4.5Å; R692-Y706 HydrophobicContact CG-CE1 4.37Å; R692-Y706 PolarHBondContact NH1-OH 2.85Å; P704-Y706 HydrophobicContact CB-CE2 4.33Å
707	S	84.7	Confident	86.6	Confident	28 Å²	28	69.6 Å²	69.6	20%	0.196	38%	0.378	C	S	.	.			trans	-121.6	-177.6	179.2	77.8	0	0	0	0	114.3	F691	F691-S707 WeakPolarHBondContact CA-OG 3.33Å; F691-S707 VanDerWaalsContact CB-OG 3.31Å; F691-S707 WeakPolarHBondContact CB-OG 3.27Å; F691-S707 PolarHBondContact N-OG 3.43Å; F691-S707 VanDerWaalsContact O-CB 3.29Å; F691-S707 WeakPolarHBondContact O-CB 3.4Å; F691-S707 PolarHBondContact O-N 2.88Å; F691-S707 PolarHBondContact O-OG 2.87Å
708	N	81.8	Confident	86.7	Confident	164 Å²	164	70.7 Å²	70.7	88%	0.877	39%	0.385	S	S	*	.			trans	-125.1	19.6	-165.2	-58.9	-12.6	0	0	0	116.2
709	S	77.8	Confident	87	Confident	44 Å²	44	69.2 Å²	69.2	31%	0.308	38%	0.38	S	S	.	.			trans	-154.6	173.7	-173.7	52.6	0	0	0	0	117.4	V626 F691	V626-S709 WeakPolarHBondContact CB-OG 3.17Å; V626-S709 WeakPolarHBondContact CG1-OG 3.42Å; F691-S709 WeakPolarHBondContact CD2-O 3.49Å; F691-S709 VanDerWaalsContact CE2-O 3.29Å; F691-S709 WeakPolarHBondContact CE2-O 3.47Å
710	T	84	Confident	87.5	Confident	95 Å²	95	70 Å²	70	58%	0.583	39%	0.391	S	S	*	.			trans	-156.6	157	-158	61.5	0	0	0	0	120.5	Y689 T690	Y689-T710 WeakPolarHBondContact O-CA 3.45Å; Y689-T710 WeakPolarHBondContact O-CB 3.47Å; Y689-T710 WeakPolarHBondContact O-CG2 3.46Å; T690-T710 HydrophobicContact CG2-CG2 3.72Å
711	C	88.6	Confident	88.2	Confident	16 Å²	16	70.2 Å²	70.2	11%	0.108	39%	0.387	C	S	.	.			trans	-148.4	-179.1	172.1	29.1	0	0	0	0	117.1	C628 N688 Y689	C628-C711 HydrophobicContact CB-CB 3.81Å; C628-C711 WeakPolarHBondContact CB-SG 3.47Å; C628-C711 WeakPolarHBondContact SG-CB 3.46Å; C628-C711 CovalentContact SG-SG 2.07Å; C628-C711 PolarHBondContact SG-SG 2.92Å; N688-C711 CarbonylContact C-O 3.55Å; N688-C711 VanDerWaalsContact C-O 3.3Å; N688-C711 WeakPolarHBondContact CA-O 3.49Å; N688-C711 VanDerWaalsContact CB-O 3.22Å; N688-C711 WeakPolarHBondContact CB-O 3.4Å; Y689-C711 WeakPolarHBondContact CD2-O 3.47Å; Y689-C711 PolarHBondContact N-O 2.98Å
712	T	89.2	Confident	88.4	Confident	89 Å²	89	68.5 Å²	68.5	55%	0.546	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-153.5	155.9	-157.9	-54.5	0	0	0	0	122.6	V687 N688	V687-T712 CarbonylContact O-C 3.52Å; V687-T712 VanDerWaalsContact O-C 3.28Å; V687-T712 VanDerWaalsContact O-CA 3.23Å; V687-T712 WeakPolarHBondContact O-CA 2.88Å; N688-T712 WeakPolarHBondContact OD1-CG2 3.46Å
713	T	87.2	Confident	88.5	Confident	36 Å²	36	74.5 Å²	74.5	22%	0.221	40%	0.404	C	S	.	.			trans	-154.4	0	-175.2	71.1	0	0	0	0	121.2	S684 P685 W686 V687 Y689	S684-T713 VanDerWaalsContact O-CB 3.29Å; S684-T713 WeakPolarHBondContact O-CB 3.35Å; S684-T713 VanDerWaalsContact O-CG2 3.27Å; S684-T713 WeakPolarHBondContact O-CG2 3.42Å; S684-T713 PolarHBondContact O-OG1 3.3Å; P685-T713 WeakPolarHBondContact CA-OG1 3.02Å; W686-T713 CarbonylContact C-O 3.35Å; W686-T713 VanDerWaalsContact CA-O 3.27Å; W686-T713 WeakPolarHBondContact CA-O 3.44Å; W686-T713 PolarHBondContact N-OG1 3.01Å; V687-T713 PolarHBondContact N-OG1 3.09Å; V687-T713 PolarHBondContact O-N 3.06Å; V687-T713 PolarHBondContact O-OG1 2.74Å; Y689-T713 HydrophobicContact CE2-CG2 4.3Å
714	P	89	Confident	88.6	Confident	87 Å²	87	73.6 Å²	73.6	57%	0.565	40%	0.404	S	S	*	.				0	169.2	0	44	-30.1	0	0	0	122.5	P685 W686	P685-P714 CarbonylContact C-O 3.43Å; P685-P714 VanDerWaalsContact CA-O 3.25Å; P685-P714 WeakPolarHBondContact CA-O 3.38Å; P685-P714 WeakPolarHBondContact CB-O 3.45Å; W686-P714 VanDerWaalsContact CA-C 3.46Å; W686-P714 VanDerWaalsContact CA-CA 3.44Å; W686-P714 VanDerWaalsContact N-CA 3.31Å; W686-P714 PolarHBondContact N-O 3.01Å
715	P	88.4	Confident	88.8	Confident	81 Å²	81	74 Å²	74	53%	0.526	41%	0.406	S	S	.	.			trans	-96	-169.6	-154.4	36.9	-37	0	0	0	125.7	W686	W686-P715 HydrophobicContact CB-CB 3.79Å; W686-P715 HydrophobicContact CD2-CB 3.76Å; W686-P715 HydrophobicContact CD2-CG 4.3Å; W686-P715 HydrophobicContact CE3-CB 4.2Å; W686-P715 HydrophobicContact CG-CB 3.56Å; W686-P715 HydrophobicContact CG-CG 4.02Å
716	S	90	Very high	89	Confident	79 Å²	79	75.8 Å²	75.8	55%	0.552	42%	0.417	S	S	*	.			trans	-151.3	-143.1	-163	-162.8	0	0	0	0	120.6	N748	S716-N748 CarbonylContact C-O 3.51Å; S716-N748 WeakPolarHBondContact CA-O 3.42Å; S716-N748 PolarHBondContact N-O 2.91Å; S716-N748 CarbonylContact O-C 3.32Å; S716-N748 VanDerWaalsContact O-O 3.04Å
717	F	90.9	Very high	89.2	Confident	101 Å²	101	70.8 Å²	70.8	44%	0.443	40%	0.4	S	S	.	.			trans	-137.8	147.1	-165	-166.3	-71.8	0	0	0	116.5	Y719 N748 I801	F717-Y719 AromaticContact CD1-CE1 3.87Å; F717-Y719 HydrophobicContact CD1-CE1 3.87Å; F717-Y719 HydrophobicContact CE1-CE1 4.4Å; F717-Y719 WeakPolarHBondContact O-CE2 3.38Å; F717-Y719 PolarHBondContact O-OH 3.16Å; F717-N748 WeakPolarHBondContact O-CB 3.11Å; F717-N748 PolarHBondContact O-ND2 3.45Å; F717-N748 VanDerWaalsContact O-ND2 3.14Å; F717-I801 HydrophobicContact CD2-CG1 4.42Å; F717-I801 HydrophobicContact CD2-CG2 4.08Å; F717-I801 HydrophobicContact CE2-CB 4.25Å; F717-I801 HydrophobicContact CE2-CG2 3.45Å; F717-I801 VanDerWaalsContact CE2-CG2 3.45Å; F717-I801 HydrophobicContact CZ-CG2 3.9Å
718	P	91.1	Very high	89.6	Confident	28 Å²	28	71.8 Å²	71.8	18%	0.182	41%	0.41	C	S	.	.			trans	-100.3	166.7	-163.1	41.5	-46.4	0	0	0	121.4	W747 N799	P718-W747 WeakPolarHBondContact CB-O 3.43Å; P718-N799 HydrophobicContact CG-CB 4.36Å; P718-N799 VanDerWaalsContact CG-CG 3.47Å; P718-N799 WeakPolarHBondContact CG-ND2 3.42Å; P718-N799 WeakPolarHBondContact CG-OD1 3.49Å
719	Y	89.4	Confident	89.8	Confident	149 Å²	149	65.1 Å²	65.1	58%	0.584	38%	0.381	S	S	*	.			trans	-151.2	8	-168.6	-49.5	-64.5	0	0	0	124.5	F717	F717-Y719 AromaticContact CD1-CE1 3.87Å; F717-Y719 HydrophobicContact CD1-CE1 3.87Å; F717-Y719 HydrophobicContact CE1-CE1 4.4Å; F717-Y719 WeakPolarHBondContact O-CE2 3.38Å; F717-Y719 PolarHBondContact O-OH 3.16Å
720	T	89.5	Confident	90.3	Very high	70 Å²	70	67.7 Å²	67.7	43%	0.429	40%	0.395	S	S	.	.			trans	-142.7	-174.6	-172.2	51.8	0	0	0	0	117.3	M742 S804	T720-M742 WeakPolarHBondContact OG1-CE 3.39Å; T720-S804 VanDerWaalsContact C-OG 3.25Å; T720-S804 VanDerWaalsContact O-CB 3.28Å; T720-S804 WeakPolarHBondContact O-CB 3.21Å; T720-S804 PolarHBondContact O-OG 2.82Å
721	N	93.6	Very high	90.4	Very high	28 Å²	28	67 Å²	67	15%	0.15	39%	0.385	C	S	.	.			trans	-136.5	166.8	-171.9	-107.4	-6	0	0	0	114.1	A797 S804 V806 E807	N721-A797 PolarHBondContact OD1-N 2.81Å; N721-A797 VanDerWaalsContact OD1-N 3.11Å; N721-S804 WeakPolarHBondContact OD1-CB 3.43Å; N721-V806 VanDerWaalsContact ND2-C 3.32Å; N721-V806 PolarHBondContact ND2-O 2.87Å; N721-E807 PolarHBondContact ND2-O 2.87Å
722	P	93.4	Very high	90.1	Very high	26 Å²	26	71 Å²	71	17%	0.169	40%	0.4	C	S	.	.			trans	-76.8	178.9	-174.2	-15.6	33.1	0	0	0	116.5	Y754 A797	P722-Y754 HydrophobicContact CB-CE1 4.49Å; P722-Y754 HydrophobicContact CG-CD1 3.7Å; P722-Y754 HydrophobicContact CG-CE1 3.74Å; P722-A797 HydrophobicContact CG-CB 3.95Å
723	K	90.6	Very high	90.1	Very high	138 Å²	138	69.5 Å²	69.5	60%	0.6	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.4	173.6	-177.3	-62.6	-178.3	-177.5	176.4	0	114	W739 Q740	K723-W739 CarbonylContact O-C 3.3Å; K723-Q740 HydrophobicContact CB-CB 4.21Å; K723-Q740 WeakPolarHBondContact O-CB 3.29Å; K723-Q740 PolarHBondContact O-N 3.14Å
724	N	91.6	Very high	90.4	Very high	126 Å²	126	67.8 Å²	67.8	67%	0.674	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.8	64.7	167.9	-64.1	4.9	0	0	0	117.4	W739 Q740	N724-W739 WeakPolarHBondContact O-CA 3.39Å; N724-Q740 HydrophobicContact CB-CB 4.33Å
725	V	94.5	Very high	90.7	Very high	35 Å²	35	63.8 Å²	63.8	21%	0.212	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	142.7	179.7	-176.7	0	0	0	0	112.8	I737 Y738 W739 V793 V795 V811	V725-I737 HydrophobicContact CG1-CG2 4.28Å; V725-Y738 VanDerWaalsContact CA-O 3.26Å; V725-Y738 WeakPolarHBondContact CA-O 3.24Å; V725-W739 HydrophobicContact CG2-CB 4.2Å; V725-V793 HydrophobicContact CG1-CG2 3.97Å; V725-V795 HydrophobicContact CG1-CG2 4.27Å; V725-V795 HydrophobicContact CG2-CB 4.22Å; V725-V795 HydrophobicContact CG2-CG2 3.9Å; V725-V811 HydrophobicContact CB-CG2 3.89Å; V725-V811 HydrophobicContact CG1-CB 4.48Å; V725-V811 HydrophobicContact CG1-CG2 3.93Å
726	S	94.5	Very high	91	Very high	54 Å²	54	60.1 Å²	60.1	38%	0.378	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	169.5	173.6	69	0	0	0	0	112.5	I737 Y738	S726-I737 VanDerWaalsContact O-CA 3.32Å; S726-I737 WeakPolarHBondContact O-CA 3.31Å; S726-I737 WeakPolarHBondContact O-CG2 3.3Å; S726-Y738 PolarHBondContact N-O 2.93Å; S726-Y738 PolarHBondContact O-N 2.85Å; S726-Y738 WeakPolarHBondContact OG-CD2 3.24Å
727	A	93.8	Very high	91.3	Very high	13 Å²	13	56.3 Å²	56.3	11%	0.107	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	142.2	174.8	0	0	0	0	0	115.7	I735 V736 I737 V793 G813	A727-I735 HydrophobicContact CB-CD1 4.19Å; A727-I735 HydrophobicContact CB-CG1 4.39Å; A727-V736 CarbonylContact C-O 3.53Å; A727-V736 WeakPolarHBondContact CA-O 3.47Å; A727-V736 VanDerWaalsContact CB-O 3.3Å; A727-V736 WeakPolarHBondContact CB-O 3.46Å; A727-I737 HydrophobicContact CB-CG1 4.17Å; A727-V793 HydrophobicContact CB-CG1 4.02Å; A727-V793 HydrophobicContact CB-CG2 4.1Å; A727-G813 VanDerWaalsContact O-CA 3.31Å; A727-G813 WeakPolarHBondContact O-CA 3.48Å
728	A	91.8	Very high	91.6	Very high	48 Å²	48	55.6 Å²	55.6	40%	0.397	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	153.4	175.4	0	0	0	0	0	112.7	V736 Y814	A728-V736 PolarHBondContact N-O 3.27Å; A728-V736 WeakPolarHBondContact O-CA 3.4Å; A728-V736 WeakPolarHBondContact O-CB 3.5Å; A728-V736 PolarHBondContact O-N 3.26Å; A728-Y814 CarbonylContact C-O 3.49Å
729	G	87.8	Confident	91.8	Very high	25 Å²	25	54.8 Å²	54.8	26%	0.258	29%	0.29	S	S	.	.			trans	-88.1	147.2	176.8	0	0	0	0	0	114	N734 Y814	G729-N734 WeakPolarHBondContact CA-OD1 3.19Å; G729-Y814 PolarHBondContact N-O 2.85Å
730	T	86.8	Confident	91.9	Very high	98 Å²	98	51.9 Å²	51.9	60%	0.601	28%	0.282	S	S	*	.	S	Bend	trans	-126	-15.5	-178.3	58.8	0	0	0	0	113.4	N734 V736	T730-N734 PolarHBondContact N-OD1 2.77Å; T730-N734 PolarHBondContact OG1-ND2 3.08Å; T730-N734 PolarHBondContact OG1-OD1 2.87Å; T730-V736 HydrophobicContact CG2-CG2 4Å
731	E	86.3	Confident	92.1	Very high	81 Å²	81	51 Å²	51	38%	0.379	28%	0.277	S	S	.	.	S	Bend	trans	-132.1	156.2	171.7	-59.1	159.5	134.3	0	0	107.8	D733 N734 R783 G816	E731-D733 WeakPolarHBondContact CB-OD1 3.43Å; E731-D733 PolarHBondContact O-N 2.94Å; E731-N734 HydrophobicContact CB-CB 4.3Å; E731-N734 WeakPolarHBondContact CB-ND2 3.48Å; E731-N734 WeakPolarHBondContact CG-ND2 3.4Å; E731-N734 PolarHBondContact N-ND2 3.06Å; E731-N734 PolarHBondContact N-OD1 3.11Å; E731-N734 VanDerWaalsContact N-OD1 3.13Å; E731-N734 PolarHBondContact O-N 3.05Å; E731-N734 VanDerWaalsContact O-N 3.1Å; E731-N734 PolarHBondContact O-OD1 3.35Å; E731-N734 PolarHBondContact OE2-ND2 3.3Å; E731-R783 VanDerWaalsContact CD-NH2 3.32Å; E731-R783 IonicContact OE1-CZ 2.69Å; E731-R783 IonicContact OE1-NH1 3.37Å; E731-R783 IonicContact OE1-NH2 2.83Å; E731-R783 PolarHBondContact OE1-NH2 3.13Å; E731-R783 VanDerWaalsContact OE1-NH2 3.12Å; E731-R783 IonicContact OE2-CZ 3.26Å; E731-R783 IonicContact OE2-NH1 3.18Å; E731-R783 PolarHBondContact OE2-NH1 3.44Å; E731-R783 IonicContact OE2-NH2 2.7Å; E731-R783 PolarHBondContact OE2-NH2 2.79Å; E731-G816 WeakPolarHBondContact O-CA 3.37Å
732	K	82.7	Confident	92	Very high	98 Å²	98	51.2 Å²	51.2	43%	0.426	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-8.3	-172.3	71	169.6	175	-179.7	0	116.6	T787 E817 D818	K732-T787 HydrophobicContact CB-CG2 4.46Å; K732-T787 VanDerWaalsContact O-CA 3.31Å; K732-T787 WeakPolarHBondContact O-CA 3.31Å; K732-T787 WeakPolarHBondContact O-CB 3.4Å; K732-T787 PolarHBondContact O-OG1 2.73Å; K732-E817 WeakPolarHBondContact CB-O 3.03Å; K732-D818 HydrophobicContact CB-CB 4.11Å; K732-D818 HydrophobicContact CD-CB 3.76Å; K732-D818 VanDerWaalsContact CD-OD1 3.25Å; K732-D818 WeakPolarHBondContact CD-OD1 3.22Å; K732-D818 VanDerWaalsContact CD-OD2 3.31Å; K732-D818 WeakPolarHBondContact CD-OD2 3.18Å; K732-D818 IonicContact NZ-OD1 2.7Å; K732-D818 PolarHBondContact NZ-OD1 2.66Å; K732-D818 IonicContact NZ-OD2 2.72Å; K732-D818 PolarHBondContact NZ-OD2 2.84Å
733	D	89.9	Confident	91.7	Very high	59 Å²	59	55.4 Å²	55.4	32%	0.316	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	15.8	-175	64.6	-21	0	0	0	112.4	E731 R783 D784 Q785	E731-D733 WeakPolarHBondContact CB-OD1 3.43Å; E731-D733 PolarHBondContact O-N 2.94Å; D733-R783 CarbonylContact O-C 3.57Å; D733-D784 PolarHBondContact O-N 3.46Å; D733-Q785 VanDerWaalsContact CA-O 3.28Å; D733-Q785 WeakPolarHBondContact CA-O 3.15Å; D733-Q785 PolarHBondContact O-N 3.26Å
734	N	93.7	Very high	91.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.			trans	-134	166.9	-172.7	93	11.3	0	0	0	115.1	G729 T730 E731 I782 S815	G729-N734 WeakPolarHBondContact CA-OD1 3.19Å; T730-N734 PolarHBondContact N-OD1 2.77Å; T730-N734 PolarHBondContact OG1-ND2 3.08Å; T730-N734 PolarHBondContact OG1-OD1 2.87Å; E731-N734 HydrophobicContact CB-CB 4.3Å; E731-N734 WeakPolarHBondContact CB-ND2 3.48Å; E731-N734 WeakPolarHBondContact CG-ND2 3.4Å; E731-N734 PolarHBondContact N-ND2 3.06Å; E731-N734 PolarHBondContact N-OD1 3.11Å; E731-N734 VanDerWaalsContact N-OD1 3.13Å; E731-N734 PolarHBondContact O-N 3.05Å; E731-N734 VanDerWaalsContact O-N 3.1Å; E731-N734 PolarHBondContact O-OD1 3.35Å; E731-N734 PolarHBondContact OE2-ND2 3.3Å; N734-I782 CarbonylContact C-O 3.45Å; N734-I782 WeakPolarHBondContact CA-O 3.22Å; N734-I782 VanDerWaalsContact CB-O 3.31Å; N734-I782 WeakPolarHBondContact CB-O 3.39Å; N734-S815 VanDerWaalsContact O-CA 3.26Å; N734-S815 WeakPolarHBondContact O-CA 3.45Å; N734-S815 WeakPolarHBondContact O-CB 3.33Å
735	I	94.1	Very high	90.9	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	141.6	160.6	-168.6	170.7	0	0	0	110.2	A727 I782 Q785 Y791	A727-I735 HydrophobicContact CB-CD1 4.19Å; A727-I735 HydrophobicContact CB-CG1 4.39Å; I735-I782 HydrophobicContact CG2-CB 3.98Å; I735-I782 HydrophobicContact CG2-CD1 4.17Å; I735-I782 HydrophobicContact CG2-CG2 4.33Å; I735-I782 PolarHBondContact N-O 3.1Å; I735-I782 WeakPolarHBondContact O-CB 3.21Å; I735-I782 PolarHBondContact O-N 2.93Å; I735-Q785 HydrophobicContact CG2-CG 4.25Å; I735-Y791 VanDerWaalsContact CD1-CB 3.5Å; I735-Y791 HydrophobicContact CD1-CD1 4.43Å; I735-Y791 HydrophobicContact CD1-CD2 3.8Å; I735-Y791 HydrophobicContact CD1-CG 3.66Å
736	V	95.3	Very high	90.5	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.8	-179.2	-167.7	0	0	0	0	109.8	A727 A728 T730 Y738 T780 V781	A727-V736 CarbonylContact C-O 3.53Å; A727-V736 WeakPolarHBondContact CA-O 3.47Å; A727-V736 VanDerWaalsContact CB-O 3.3Å; A727-V736 WeakPolarHBondContact CB-O 3.46Å; A728-V736 PolarHBondContact N-O 3.27Å; A728-V736 WeakPolarHBondContact O-CA 3.4Å; A728-V736 WeakPolarHBondContact O-CB 3.5Å; A728-V736 PolarHBondContact O-N 3.26Å; T730-V736 HydrophobicContact CG2-CG2 4Å; V736-Y738 HydrophobicContact CB-CE2 3.96Å; V736-Y738 HydrophobicContact CG1-CE1 3.98Å; V736-Y738 HydrophobicContact CG1-CE2 3.77Å; V736-Y738 VanDerWaalsContact CG1-CZ 3.44Å; V736-Y738 WeakPolarHBondContact CG1-OH 3.19Å; V736-T780 CarbonylContact C-O 3.42Å; V736-T780 WeakPolarHBondContact CA-O 3.28Å; V736-T780 VanDerWaalsContact CG1-O 3.27Å; V736-T780 WeakPolarHBondContact CG1-O 3.33Å; V736-V781 HydrophobicContact CG1-CG2 4Å; V736-V781 HydrophobicContact CG2-CG1 4.34Å; V736-V781 HydrophobicContact CG2-CG2 4.1Å
737	I	96	Very high	90.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.9	179.9	-49.8	176.3	0	0	0	109.9	V725 S726 A727 V756 Y758 H779 T780 I782 V793	V725-I737 HydrophobicContact CG1-CG2 4.28Å; S726-I737 VanDerWaalsContact O-CA 3.32Å; S726-I737 WeakPolarHBondContact O-CA 3.31Å; S726-I737 WeakPolarHBondContact O-CG2 3.3Å; A727-I737 HydrophobicContact CB-CG1 4.17Å; I737-V756 HydrophobicContact CD1-CG1 4.4Å; I737-Y758 HydrophobicContact CD1-CD1 4.45Å; I737-Y758 HydrophobicContact CD1-CG 4.5Å; I737-H779 CarbonylContact O-C 3.59Å; I737-H779 WeakPolarHBondContact O-CA 3.45Å; I737-H779 VanDerWaalsContact O-CB 3.28Å; I737-H779 WeakPolarHBondContact O-CB 3.48Å; I737-T780 HydrophobicContact CB-CG2 3.96Å; I737-T780 PolarHBondContact N-O 2.94Å; I737-T780 PolarHBondContact O-N 2.83Å; I737-I782 HydrophobicContact CD1-CD1 3.44Å; I737-I782 VanDerWaalsContact CD1-CD1 3.44Å; I737-I782 HydrophobicContact CG1-CD1 4.05Å; I737-V793 HydrophobicContact CD1-CB 3.95Å; I737-V793 HydrophobicContact CD1-CG1 3.48Å; I737-V793 VanDerWaalsContact CD1-CG1 3.48Å; I737-V793 HydrophobicContact CG1-CB 4.44Å; I737-V793 HydrophobicContact CG1-CG1 3.88Å; I737-V793 HydrophobicContact CG2-CB 4.18Å; I737-V793 HydrophobicContact CG2-CG2 4.11Å
738	Y	96.6	Very high	90	Very high	86 Å²	86	56.5 Å²	56.5	34%	0.337	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	160.7	-173.4	-53.5	-94.8	0	0	0	113.8	V725 S726 V736 N778 H779	V725-Y738 VanDerWaalsContact CA-O 3.26Å; V725-Y738 WeakPolarHBondContact CA-O 3.24Å; S726-Y738 PolarHBondContact N-O 2.93Å; S726-Y738 PolarHBondContact O-N 2.85Å; S726-Y738 WeakPolarHBondContact OG-CD2 3.24Å; V736-Y738 HydrophobicContact CB-CE2 3.96Å; V736-Y738 HydrophobicContact CG1-CE1 3.98Å; V736-Y738 HydrophobicContact CG1-CE2 3.77Å; V736-Y738 VanDerWaalsContact CG1-CZ 3.44Å; V736-Y738 WeakPolarHBondContact CG1-OH 3.19Å; Y738-N778 CarbonylContact C-O 3.52Å; Y738-N778 WeakPolarHBondContact CA-O 3.31Å; Y738-H779 HydrophobicContact CD1-CB 3.48Å; Y738-H779 VanDerWaalsContact CD1-CB 3.48Å; Y738-H779 HydrophobicContact CE1-CB 3.9Å; Y738-H779 HydrophobicContact CG-CB 4.19Å
739	W	95.2	Very high	89.9	Confident	11 Å²	11	55.1 Å²	55.1	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	-177.5	173.2	63.8	84.1	0	0	0	114.7	K723 N724 V725 Y754 V756 V772 E777 N778 H779 T780 V795	K723-W739 CarbonylContact O-C 3.3Å; N724-W739 WeakPolarHBondContact O-CA 3.39Å; V725-W739 HydrophobicContact CG2-CB 4.2Å; W739-Y754 AromaticContact NE1-CD2 3.78Å; W739-Y754 AromaticContact NE1-CE2 3.96Å; W739-V756 HydrophobicContact CE3-CG2 4.47Å; W739-V756 HydrophobicContact CH2-CG2 4.03Å; W739-V756 HydrophobicContact CZ3-CG2 3.9Å; W739-V772 HydrophobicContact CH2-CG2 4.02Å; W739-V772 HydrophobicContact CZ2-CB 4.44Å; W739-V772 HydrophobicContact CZ2-CG1 4.15Å; W739-V772 HydrophobicContact CZ2-CG2 4.23Å; W739-E777 HydrophobicContact CH2-CG 4.47Å; W739-E777 HydrophobicContact CZ2-CB 4.39Å; W739-E777 HydrophobicContact CZ2-CG 3.95Å; W739-E777 PolarHBondContact NE1-O 2.7Å; W739-N778 PolarHBondContact N-O 3.23Å; W739-N778 WeakPolarHBondContact O-CB 3.5Å; W739-H779 VanDerWaalsContact CH2-C 3.48Å; W739-H779 VanDerWaalsContact CH2-O 3.32Å; W739-H779 WeakPolarHBondContact CH2-O 3.45Å; W739-T780 HydrophobicContact CH2-CG2 4.17Å; W739-T780 HydrophobicContact CZ3-CG2 3.82Å; W739-V795 HydrophobicContact CB-CG1 4.49Å; W739-V795 HydrophobicContact CB-CG2 4.36Å; W739-V795 HydrophobicContact CD2-CG1 4.11Å; W739-V795 HydrophobicContact CD2-CG2 4.27Å; W739-V795 HydrophobicContact CE3-CG1 4.41Å; W739-V795 HydrophobicContact CE3-CG2 3.87Å; W739-V795 HydrophobicContact CG-CG1 4.12Å; W739-V795 HydrophobicContact CG-CG2 4.49Å
740	Q	92.7	Very high	90	Very high	88 Å²	88	60.2 Å²	60.2	41%	0.411	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134	-178.1	-176	-175.8	5.6	0	0	115.1	K723 N724	K723-Q740 HydrophobicContact CB-CB 4.21Å; K723-Q740 WeakPolarHBondContact O-CB 3.29Å; K723-Q740 PolarHBondContact O-N 3.14Å; N724-Q740 HydrophobicContact CB-CB 4.33Å
741	P	93.2	Very high	90.2	Very high	50 Å²	50	65.1 Å²	65.1	33%	0.325	31%	0.305	S	S	.	.			trans	-68.5	174.7	176.1	-28.3	38.5	0	0	0	120.1	Y754 L776	P741-Y754 VanDerWaalsContact CA-OH 3.3Å; P741-Y754 WeakPolarHBondContact CA-OH 3.23Å; P741-L776 WeakPolarHBondContact CG-O 3.48Å
742	M	91.7	Very high	90.6	Very high	33 Å²	33	62.1 Å²	62.1	16%	0.163	29%	0.291	C	S	.	.			trans	-123	154.1	-173.2	-74.5	178.1	41.9	0	0	117.2	T720 W747 F752 Y754 A797	T720-M742 WeakPolarHBondContact OG1-CE 3.39Å; M742-W747 PolarHBondContact O-NE1 2.85Å; M742-F752 HydrophobicContact CB-CE1 3.83Å; M742-F752 HydrophobicContact CB-CZ 3.88Å; M742-F752 HydrophobicContact CE-CE2 3.86Å; M742-F752 HydrophobicContact CE-CZ 3.6Å; M742-F752 HydrophobicContact CG-CZ 4.18Å; M742-F752 HydrophobicContact SD-CE1 4.44Å; M742-F752 HydrophobicContact SD-CE2 4.27Å; M742-F752 HydrophobicContact SD-CZ 3.56Å; M742-F752 VanDerWaalsContact SD-CZ 3.56Å; M742-Y754 PolarHBondContact N-OH 3.36Å; M742-A797 HydrophobicContact SD-CB 4.17Å
743	N	87.3	Confident	91.1	Very high	114 Å²	114	60.8 Å²	60.8	61%	0.61	28%	0.283	S	S	*	.			trans	-72	145.7	-171.5	-85.4	-9	0	0	0	116.7	D746 W747	N743-D746 HydrophobicContact CB-CB 4.36Å; N743-D746 WeakPolarHBondContact CB-OD2 3.48Å; N743-D746 PolarHBondContact O-N 3.14Å; N743-W747 PolarHBondContact O-N 2.72Å; N743-W747 PolarHBondContact O-NE1 3.26Å
744	K	85.9	Confident	91.4	Very high	109 Å²	109	58 Å²	58	47%	0.474	27%	0.268	S	S	.	.	H	α-helix	trans	-74.6	-34.9	-176.5	-175.5	163.6	-174.7	173.4	0	116	D746 W747	K744-D746 PolarHBondContact O-N 2.92Å; K744-W747 HydrophobicContact CB-CD2 4.15Å; K744-W747 HydrophobicContact CB-CE3 4.48Å; K744-W747 HydrophobicContact CB-CZ2 4.21Å; K744-W747 HydrophobicContact CD-CE3 4.19Å; K744-W747 HydrophobicContact CD-CH2 4Å; K744-W747 HydrophobicContact CD-CZ2 4.48Å; K744-W747 HydrophobicContact CD-CZ3 3.84Å; K744-W747 HydrophobicContact CG-CD2 3.91Å; K744-W747 HydrophobicContact CG-CE3 3.77Å; K744-W747 HydrophobicContact CG-CH2 4.22Å; K744-W747 HydrophobicContact CG-CZ2 4.33Å; K744-W747 HydrophobicContact CG-CZ3 3.95Å; K744-W747 WeakPolarHBondContact O-CB 3.19Å; K744-W747 PolarHBondContact O-N 3.05Å
745	E	79.3	Confident	91.5	Very high	102 Å²	102	59.4 Å²	59.4	48%	0.477	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-29.7	174.9	-66.5	175.2	170.3	0	0	110.4	F658 N748	F658-E745 WeakPolarHBondContact CB-OE1 3.35Å; E745-N748 PolarHBondContact O-OD1 2.91Å
746	D	85.8	Confident	91.6	Very high	72 Å²	72	59.3 Å²	59.3	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-86	-15	177.1	-57.3	-66.9	0	0	0	114.7	N743 K744 N748	N743-D746 HydrophobicContact CB-CB 4.36Å; N743-D746 WeakPolarHBondContact CB-OD2 3.48Å; N743-D746 PolarHBondContact O-N 3.14Å; K744-D746 PolarHBondContact O-N 2.92Å; D746-N748 VanDerWaalsContact C-ND2 3.29Å; D746-N748 PolarHBondContact O-N 3.06Å; D746-N748 PolarHBondContact O-ND2 2.71Å
747	W	90.3	Very high	91.6	Very high	66 Å²	66	62.4 Å²	62.4	25%	0.25	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-37.7	169.6	-62.9	-3.3	0	0	0	110.4	P718 M742 N743 K744 G749 N799	P718-W747 WeakPolarHBondContact CB-O 3.43Å; M742-W747 PolarHBondContact O-NE1 2.85Å; N743-W747 PolarHBondContact O-N 2.72Å; N743-W747 PolarHBondContact O-NE1 3.26Å; K744-W747 HydrophobicContact CB-CD2 4.15Å; K744-W747 HydrophobicContact CB-CE3 4.48Å; K744-W747 HydrophobicContact CB-CZ2 4.21Å; K744-W747 HydrophobicContact CD-CE3 4.19Å; K744-W747 HydrophobicContact CD-CH2 4Å; K744-W747 HydrophobicContact CD-CZ2 4.48Å; K744-W747 HydrophobicContact CD-CZ3 3.84Å; K744-W747 HydrophobicContact CG-CD2 3.91Å; K744-W747 HydrophobicContact CG-CE3 3.77Å; K744-W747 HydrophobicContact CG-CH2 4.22Å; K744-W747 HydrophobicContact CG-CZ2 4.33Å; K744-W747 HydrophobicContact CG-CZ3 3.95Å; K744-W747 WeakPolarHBondContact O-CB 3.19Å; K744-W747 PolarHBondContact O-N 3.05Å; W747-G749 PolarHBondContact O-N 2.94Å; W747-N799 PolarHBondContact O-ND2 2.77Å; W747-N799 VanDerWaalsContact O-ND2 3.16Å
748	N	88.7	Confident	91.6	Very high	41 Å²	41	63.7 Å²	63.7	22%	0.219	29%	0.291	C	S	.	.			trans	54.3	-23.3	-175.3	-68.6	-83	0	0	0	117.1	S716 F717 E745 D746	S716-N748 CarbonylContact C-O 3.51Å; S716-N748 WeakPolarHBondContact CA-O 3.42Å; S716-N748 PolarHBondContact N-O 2.91Å; S716-N748 CarbonylContact O-C 3.32Å; S716-N748 VanDerWaalsContact O-O 3.04Å; F717-N748 WeakPolarHBondContact O-CB 3.11Å; F717-N748 PolarHBondContact O-ND2 3.45Å; F717-N748 VanDerWaalsContact O-ND2 3.14Å; E745-N748 PolarHBondContact O-OD1 2.91Å; D746-N748 VanDerWaalsContact C-ND2 3.29Å; D746-N748 PolarHBondContact O-N 3.06Å; D746-N748 PolarHBondContact O-ND2 2.71Å
749	G	88.8	Confident	91.5	Very high	18 Å²	18	62.3 Å²	62.3	19%	0.186	29%	0.286	C	S	.	.	S	Bend	trans	-142.1	-144	173.8	0	0	0	0	0	111.2	W747	W747-G749 PolarHBondContact O-N 2.94Å
750	E	90.4	Very high	91.4	Very high	133 Å²	133	63.9 Å²	63.9	62%	0.621	30%	0.295	S	S	*	.	S	Bend	trans	-114.9	172.7	-166.5	-59.5	-178.2	174.4	0	0	114.1	S800	E750-S800 WeakPolarHBondContact O-CB 3.47Å; E750-S800 PolarHBondContact O-N 2.78Å; E750-S800 PolarHBondContact O-OG 2.86Å
751	R	91	Very high	91.3	Very high	201 Å²	201	62.1 Å²	62.1	76%	0.758	29%	0.288	S	S	*	.			trans	53.9	62.4	170.2	-45.9	-179	-174.8	-178.8	-0.8	116.3	N799 S800	R751-N799 CarbonylContact O-C 3.47Å; R751-N799 VanDerWaalsContact O-C 3.31Å; R751-N799 VanDerWaalsContact O-CA 3.25Å; R751-N799 WeakPolarHBondContact O-CA 3.46Å; R751-S800 PolarHBondContact O-N 3.26Å
752	F	93.6	Very high	91	Very high	18 Å²	18	63 Å²	63	8%	0.079	29%	0.288	C	S	.	.			trans	-94.8	143.8	-178.8	179.1	-107.2	0	0	0	113.1	M742 Y754 P775 A797 V798 N799	M742-F752 HydrophobicContact CB-CE1 3.83Å; M742-F752 HydrophobicContact CB-CZ 3.88Å; M742-F752 HydrophobicContact CE-CE2 3.86Å; M742-F752 HydrophobicContact CE-CZ 3.6Å; M742-F752 HydrophobicContact CG-CZ 4.18Å; M742-F752 HydrophobicContact SD-CE1 4.44Å; M742-F752 HydrophobicContact SD-CE2 4.27Å; M742-F752 HydrophobicContact SD-CZ 3.56Å; M742-F752 VanDerWaalsContact SD-CZ 3.56Å; F752-Y754 AromaticContact CE1-CE1 3.8Å; F752-Y754 HydrophobicContact CE1-CE1 3.8Å; F752-Y754 AromaticContact CE1-CZ 3.85Å; F752-Y754 WeakPolarHBondContact CE1-OH 3.36Å; F752-Y754 AromaticContact CZ-CE1 3.72Å; F752-Y754 HydrophobicContact CZ-CE1 3.72Å; F752-P775 HydrophobicContact CD1-CB 3.52Å; F752-P775 HydrophobicContact CE1-CB 4.13Å; F752-P775 HydrophobicContact CG-CB 4.44Å; F752-P775 WeakPolarHBondContact O-CB 3.47Å; F752-P775 WeakPolarHBondContact O-CD 3.4Å; F752-A797 HydrophobicContact CE2-CB 3.96Å; F752-A797 HydrophobicContact CZ-CB 3.92Å; F752-V798 CarbonylContact C-O 3.54Å; F752-V798 VanDerWaalsContact CA-O 3.26Å; F752-V798 WeakPolarHBondContact CA-O 3.35Å; F752-V798 WeakPolarHBondContact CD2-O 3.3Å; F752-N799 HydrophobicContact CB-CB 4.2Å; F752-N799 HydrophobicContact CD2-CB 4Å
753	R	94.8	Very high	90.7	Very high	70 Å²	70	68.4 Å²	68.4	26%	0.264	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	-173.1	-176.5	71.4	-177.5	-164.9	-68.2	-9.5	115.4	E771 V772 E773 V798	R753-E771 IonicContact CZ-OE2 3.39Å; R753-E771 IonicContact NE-OE2 2.8Å; R753-E771 PolarHBondContact NE-OE2 2.9Å; R753-E771 IonicContact NH2-OE1 3.32Å; R753-E771 IonicContact NH2-OE2 3.08Å; R753-E771 PolarHBondContact NH2-OE2 2.85Å; R753-V772 WeakPolarHBondContact CB-O 3.32Å; R753-E773 VanDerWaalsContact CB-O 3.32Å; R753-E773 WeakPolarHBondContact CB-O 3.37Å; R753-V798 HydrophobicContact CB-CG1 4.48Å; R753-V798 HydrophobicContact CG-CG1 3.46Å; R753-V798 VanDerWaalsContact CG-CG1 3.46Å; R753-V798 PolarHBondContact N-O 2.86Å; R753-V798 VanDerWaalsContact O-CG1 3.24Å; R753-V798 WeakPolarHBondContact O-CG1 3.28Å; R753-V798 PolarHBondContact O-N 2.83Å
754	Y	96	Very high	90.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	173.8	-170.5	-52.3	-61.3	0	0	0	118.1	P722 W739 P741 M742 F752 E771 V772 P775 Q796 A797	P722-Y754 HydrophobicContact CB-CE1 4.49Å; P722-Y754 HydrophobicContact CG-CD1 3.7Å; P722-Y754 HydrophobicContact CG-CE1 3.74Å; W739-Y754 AromaticContact NE1-CD2 3.78Å; W739-Y754 AromaticContact NE1-CE2 3.96Å; P741-Y754 VanDerWaalsContact CA-OH 3.3Å; P741-Y754 WeakPolarHBondContact CA-OH 3.23Å; M742-Y754 PolarHBondContact N-OH 3.36Å; F752-Y754 AromaticContact CE1-CE1 3.8Å; F752-Y754 HydrophobicContact CE1-CE1 3.8Å; F752-Y754 AromaticContact CE1-CZ 3.85Å; F752-Y754 WeakPolarHBondContact CE1-OH 3.36Å; F752-Y754 AromaticContact CZ-CE1 3.72Å; F752-Y754 HydrophobicContact CZ-CE1 3.72Å; Y754-E771 WeakPolarHBondContact O-CA 3.37Å; Y754-V772 PolarHBondContact N-O 2.64Å; Y754-V772 PolarHBondContact O-N 3.36Å; Y754-P775 VanDerWaalsContact CE2-O 3.29Å; Y754-P775 WeakPolarHBondContact CE2-O 3.37Å; Y754-P775 PolarHBondContact OH-O 2.99Å; Y754-Q796 CarbonylContact C-O 3.58Å; Y754-Q796 VanDerWaalsContact CA-O 3.23Å; Y754-Q796 WeakPolarHBondContact CA-O 3.04Å; Y754-Q796 WeakPolarHBondContact CB-O 3.37Å; Y754-A797 HydrophobicContact CD1-CB 3.8Å; Y754-A797 HydrophobicContact CE1-CB 4.04Å
755	L	95.8	Very high	90.8	Very high	30 Å²	30	63.1 Å²	63.1	16%	0.157	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.7	-179.7	174.5	70.5	0	0	0	112.2	E771 V795 Q796	L755-E771 HydrophobicContact CB-CG 4.43Å; L755-E771 HydrophobicContact CD1-CG 3.85Å; L755-V795 CarbonylContact O-C 3.3Å; L755-V795 WeakPolarHBondContact O-CA 3.47Å; L755-V795 WeakPolarHBondContact O-CG1 3.32Å; L755-Q796 HydrophobicContact CB-CB 4.46Å; L755-Q796 PolarHBondContact N-O 2.79Å; L755-Q796 PolarHBondContact O-N 3.5Å
756	V	95.9	Very high	91.3	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.9	-170.7	-176.1	0	0	0	0	113.1	I737 W739 E769 F770 V772 T780 Q794 V795	I737-V756 HydrophobicContact CD1-CG1 4.4Å; W739-V756 HydrophobicContact CE3-CG2 4.47Å; W739-V756 HydrophobicContact CH2-CG2 4.03Å; W739-V756 HydrophobicContact CZ3-CG2 3.9Å; V756-E769 CarbonylContact O-C 3.59Å; V756-E769 VanDerWaalsContact O-CA 3.24Å; V756-E769 WeakPolarHBondContact O-CA 3.36Å; V756-E769 WeakPolarHBondContact O-CB 3.41Å; V756-F770 HydrophobicContact CB-CD2 4.35Å; V756-F770 HydrophobicContact CB-CE2 4.01Å; V756-F770 HydrophobicContact CB-CZ 4.14Å; V756-F770 HydrophobicContact CG1-CE1 4.46Å; V756-F770 HydrophobicContact CG1-CE2 4.39Å; V756-F770 HydrophobicContact CG1-CZ 4.06Å; V756-F770 HydrophobicContact CG2-CE2 4.24Å; V756-F770 PolarHBondContact N-O 2.74Å; V756-F770 PolarHBondContact O-N 3.39Å; V756-V772 HydrophobicContact CG2-CG2 3.95Å; V756-T780 HydrophobicContact CG1-CG2 4.35Å; V756-Q794 CarbonylContact C-O 3.47Å; V756-Q794 WeakPolarHBondContact CA-O 3.36Å; V756-V795 HydrophobicContact CG1-CG2 4.39Å; V756-V795 HydrophobicContact CG2-CG1 4.24Å; V756-V795 HydrophobicContact CG2-CG2 4.25Å
757	R	95.2	Very high	91.7	Very high	68 Å²	68	68.5 Å²	68.5	26%	0.257	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.2	174.1	-36.2	-179.3	148.8	109.9	5.4	115.6	W767 E768 E769 V793 Q794	R757-W767 HydrophobicContact CB-CE3 4.05Å; R757-W767 HydrophobicContact CB-CZ3 4.4Å; R757-E768 CarbonylContact C-O 3.52Å; R757-E768 WeakPolarHBondContact CA-O 3.5Å; R757-E768 WeakPolarHBondContact CB-O 3.37Å; R757-E769 HydrophobicContact CB-CB 4.19Å; R757-E769 HydrophobicContact CG-CB 3.75Å; R757-E769 IonicContact CZ-OE2 3.34Å; R757-E769 IonicContact NE-OE2 2.77Å; R757-E769 PolarHBondContact NE-OE2 2.84Å; R757-E769 IonicContact NH2-OE2 2.73Å; R757-E769 PolarHBondContact NH2-OE2 2.78Å; R757-V793 CarbonylContact O-C 3.59Å; R757-V793 VanDerWaalsContact O-CA 3.28Å; R757-V793 WeakPolarHBondContact O-CA 3.37Å; R757-Q794 HydrophobicContact CB-CG 3.62Å; R757-Q794 HydrophobicContact CG-CG 3.88Å; R757-Q794 PolarHBondContact N-O 3.31Å; R757-Q794 PolarHBondContact O-N 3.18Å
758	Y	94.9	Very high	91.9	Very high	27 Å²	27	70.2 Å²	70.2	11%	0.106	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	166.5	177.2	66.7	-87.6	0	0	0	116.4	I737 W767 E768 F770 I782 V792	I737-Y758 HydrophobicContact CD1-CD1 4.45Å; I737-Y758 HydrophobicContact CD1-CG 4.5Å; Y758-W767 CarbonylContact O-C 3.47Å; Y758-W767 WeakPolarHBondContact O-CA 3.37Å; Y758-E768 HydrophobicContact CD1-CB 4.36Å; Y758-E768 HydrophobicContact CD2-CB 4.42Å; Y758-E768 HydrophobicContact CE1-CB 3.87Å; Y758-E768 HydrophobicContact CE2-CB 3.91Å; Y758-E768 HydrophobicContact CE2-CG 4.38Å; Y758-E768 WeakPolarHBondContact CE2-OE2 3.5Å; Y758-E768 PolarHBondContact N-O 3.24Å; Y758-E768 PolarHBondContact O-N 3.15Å; Y758-E768 PolarHBondContact OH-OE2 3.34Å; Y758-F770 HydrophobicContact CD1-CE1 4.29Å; Y758-F770 HydrophobicContact CE1-CD1 4.45Å; Y758-F770 AromaticContact CE1-CE1 3.94Å; Y758-F770 HydrophobicContact CE1-CE1 3.94Å; Y758-I782 HydrophobicContact CD1-CD1 3.34Å; Y758-I782 HydrophobicContact CD1-CG1 4.17Å; Y758-I782 HydrophobicContact CD2-CD1 4Å; Y758-I782 HydrophobicContact CE1-CD1 3.5Å; Y758-I782 HydrophobicContact CE1-CG1 3.82Å; Y758-I782 HydrophobicContact CE1-CG2 4.4Å; Y758-I782 HydrophobicContact CE2-CD1 4.16Å; Y758-I782 HydrophobicContact CE2-CG2 3.93Å; Y758-I782 HydrophobicContact CG-CD1 3.59Å; Y758-V792 CarbonylContact C-O 3.54Å; Y758-V792 WeakPolarHBondContact CA-O 3.32Å
759	R	94.4	Very high	92.2	Very high	58 Å²	58	74 Å²	74	22%	0.219	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	165.1	168.8	66.3	169.3	-178.4	86.6	1.7	114.5	D761 K766 W767 Y791 V792	R759-D761 IonicContact NH1-OD1 3.26Å; R759-D761 IonicContact NH2-OD1 2.83Å; R759-K766 WeakPolarHBondContact CB-O 3.26Å; R759-W767 HydrophobicContact CB-CD2 4.25Å; R759-W767 HydrophobicContact CB-CE3 4.28Å; R759-W767 HydrophobicContact CG-CD2 4.02Å; R759-W767 HydrophobicContact CG-CE3 4.13Å; R759-W767 HydrophobicContact CG-CH2 4.21Å; R759-W767 HydrophobicContact CG-CZ2 4.13Å; R759-W767 HydrophobicContact CG-CZ3 4.22Å; R759-Y791 CarbonylContact O-C 3.52Å; R759-Y791 VanDerWaalsContact O-CA 3.26Å; R759-Y791 WeakPolarHBondContact O-CA 3.41Å; R759-Y791 VanDerWaalsContact O-CD1 3.31Å; R759-Y791 WeakPolarHBondContact O-CD1 3.28Å; R759-V792 HydrophobicContact CG-CB 4.06Å; R759-V792 HydrophobicContact CG-CG2 4.4Å; R759-V792 PolarHBondContact N-O 3.4Å; R759-V792 PolarHBondContact O-N 2.94Å
760	L	93.3	Very high	92.5	Very high	44 Å²	44	76.1 Å²	76.1	23%	0.23	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	150	163.1	-87.1	167.7	0	0	0	111.9	E762 A765 R789 R790 Y791	L760-E762 VanDerWaalsContact C-N 3.31Å; L760-E762 PolarHBondContact O-N 2.64Å; L760-A765 HydrophobicContact CB-CB 3.8Å; L760-A765 VanDerWaalsContact O-CB 3.23Å; L760-A765 WeakPolarHBondContact O-CB 3.31Å; L760-R789 HydrophobicContact CD2-CB 4.1Å; L760-R790 CarbonylContact C-O 3.19Å; L760-R790 WeakPolarHBondContact CD2-O 3.44Å; L760-Y791 HydrophobicContact CD2-CD1 4.34Å; L760-Y791 HydrophobicContact CD2-CD2 4.12Å; L760-Y791 HydrophobicContact CD2-CE1 3.82Å; L760-Y791 HydrophobicContact CD2-CE2 3.54Å; L760-Y791 HydrophobicContact CD2-CG 4.46Å; L760-Y791 HydrophobicContact CG-CD1 4.39Å; L760-Y791 HydrophobicContact CG-CE1 3.79Å; L760-Y791 HydrophobicContact CG-CE2 4.41Å
761	D	91.1	Very high	92.6	Very high	51 Å²	51	74.7 Å²	74.7	27%	0.273	37%	0.366	S	S	.	.	S	Bend	trans	-92.3	52.1	174.6	-161.7	34.2	0	0	0	112.9	R759 R790 V792	R759-D761 IonicContact NH1-OD1 3.26Å; R759-D761 IonicContact NH2-OD1 2.83Å; D761-R790 HydrophobicContact CB-CB 4.33Å; D761-R790 HydrophobicContact CB-CG 4.18Å; D761-R790 PolarHBondContact N-O 2.95Å; D761-R790 IonicContact OD2-CZ 3.41Å; D761-R790 VanDerWaalsContact OD2-CZ 3.28Å; D761-R790 IonicContact OD2-NE 3.61Å; D761-R790 IonicContact OD2-NH1 3.07Å; D761-R790 PolarHBondContact OD2-NH1 2.97Å; D761-R790 IonicContact OD2-NH2 2.68Å; D761-V792 HydrophobicContact CB-CG2 3.82Å
762	E	87.5	Confident	92.8	Very high	69 Å²	69	66 Å²	66	32%	0.322	34%	0.335	S	S	.	.	S	Bend	trans	-127.2	147.7	-178.4	-71.8	173.7	-153.2	0	0	111.1	L760 G764 A765 R789	L760-E762 VanDerWaalsContact C-N 3.31Å; L760-E762 PolarHBondContact O-N 2.64Å; E762-G764 PolarHBondContact O-N 2.91Å; E762-A765 WeakPolarHBondContact O-CB 3.18Å; E762-A765 PolarHBondContact O-N 3.04Å; E762-A765 VanDerWaalsContact O-N 3.12Å; E762-R789 IonicContact OE1-CZ 2.7Å; E762-R789 IonicContact OE1-NE 3.36Å; E762-R789 PolarHBondContact OE1-NE 3.4Å; E762-R789 IonicContact OE1-NH2 3.45Å; E762-R789 PolarHBondContact OE1-NH2 2.97Å; E762-R789 IonicContact OE2-CZ 3.71Å; E762-R789 IonicContact OE2-NH2 3.37Å; E762-R789 PolarHBondContact OE2-NH2 3.37Å
763	P	84.6	Confident	92.8	Very high	146 Å²	146	73 Å²	73	95%	0.948	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	109	-177.4	-25.6	35.4	0	0	0	113
764	G	85.6	Confident	92.6	Very high	78 Å²	78	73.7 Å²	73.7	80%	0.804	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.9	0.3	178.3	0	0	0	0	0	115.9	E762	E762-G764 PolarHBondContact O-N 2.91Å
765	A	89	Confident	92.3	Very high	34 Å²	34	75.2 Å²	75.2	28%	0.281	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-61.9	140.1	174.2	0	0	0	0	0	112.7	L760 E762	L760-A765 HydrophobicContact CB-CB 3.8Å; L760-A765 VanDerWaalsContact O-CB 3.23Å; L760-A765 WeakPolarHBondContact O-CB 3.31Å; E762-A765 WeakPolarHBondContact O-CB 3.18Å; E762-A765 PolarHBondContact O-N 3.04Å; E762-A765 VanDerWaalsContact O-N 3.12Å
766	K	91.8	Very high	92.1	Very high	178 Å²	178	79.5 Å²	79.5	77%	0.774	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-94.6	159.2	179.4	-66.2	-178.7	-179.6	177.2	0	111.8	R759	R759-K766 WeakPolarHBondContact CB-O 3.26Å
767	W	93.4	Very high	91.9	Very high	108 Å²	108	82.3 Å²	82.3	41%	0.409	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-85.7	146.3	172.2	-71.6	99.7	0	0	0	112.5	R757 Y758 R759 V792 Q794 L810	R757-W767 HydrophobicContact CB-CE3 4.05Å; R757-W767 HydrophobicContact CB-CZ3 4.4Å; Y758-W767 CarbonylContact O-C 3.47Å; Y758-W767 WeakPolarHBondContact O-CA 3.37Å; R759-W767 HydrophobicContact CB-CD2 4.25Å; R759-W767 HydrophobicContact CB-CE3 4.28Å; R759-W767 HydrophobicContact CG-CD2 4.02Å; R759-W767 HydrophobicContact CG-CE3 4.13Å; R759-W767 HydrophobicContact CG-CH2 4.21Å; R759-W767 HydrophobicContact CG-CZ2 4.13Å; R759-W767 HydrophobicContact CG-CZ3 4.22Å; W767-V792 HydrophobicContact CH2-CB 4.23Å; W767-V792 HydrophobicContact CH2-CG1 3.98Å; W767-Q794 HydrophobicContact CZ3-CG 4.32Å; W767-L810 HydrophobicContact CH2-CD2 3.58Å; W767-L810 HydrophobicContact CZ2-CD2 3.89Å
768	E	94.6	Very high	91.8	Very high	102 Å²	102	83 Å²	83	48%	0.477	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.3	173.3	-66.5	172.5	-150.3	0	0	109.2	R757 Y758	R757-E768 CarbonylContact C-O 3.52Å; R757-E768 WeakPolarHBondContact CA-O 3.5Å; R757-E768 WeakPolarHBondContact CB-O 3.37Å; Y758-E768 HydrophobicContact CD1-CB 4.36Å; Y758-E768 HydrophobicContact CD2-CB 4.42Å; Y758-E768 HydrophobicContact CE1-CB 3.87Å; Y758-E768 HydrophobicContact CE2-CB 3.91Å; Y758-E768 HydrophobicContact CE2-CG 4.38Å; Y758-E768 WeakPolarHBondContact CE2-OE2 3.5Å; Y758-E768 PolarHBondContact N-O 3.24Å; Y758-E768 PolarHBondContact O-N 3.15Å; Y758-E768 PolarHBondContact OH-OE2 3.34Å
769	E	94.2	Very high	91.8	Very high	120 Å²	120	85.1 Å²	85.1	56%	0.561	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150	153.1	-170.8	66.8	178.5	178.2	0	0	115.3	V756 R757	V756-E769 CarbonylContact O-C 3.59Å; V756-E769 VanDerWaalsContact O-CA 3.24Å; V756-E769 WeakPolarHBondContact O-CA 3.36Å; V756-E769 WeakPolarHBondContact O-CB 3.41Å; R757-E769 HydrophobicContact CB-CB 4.19Å; R757-E769 HydrophobicContact CG-CB 3.75Å; R757-E769 IonicContact CZ-OE2 3.34Å; R757-E769 IonicContact NE-OE2 2.77Å; R757-E769 PolarHBondContact NE-OE2 2.84Å; R757-E769 IonicContact NH2-OE2 2.73Å; R757-E769 PolarHBondContact NH2-OE2 2.78Å
770	F	95.1	Very high	91.8	Very high	64 Å²	64	83.6 Å²	83.6	28%	0.281	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	157.3	176.2	56.7	-92.1	0	0	0	114.3	V756 Y758 V772 T780	V756-F770 HydrophobicContact CB-CD2 4.35Å; V756-F770 HydrophobicContact CB-CE2 4.01Å; V756-F770 HydrophobicContact CB-CZ 4.14Å; V756-F770 HydrophobicContact CG1-CE1 4.46Å; V756-F770 HydrophobicContact CG1-CE2 4.39Å; V756-F770 HydrophobicContact CG1-CZ 4.06Å; V756-F770 HydrophobicContact CG2-CE2 4.24Å; V756-F770 PolarHBondContact N-O 2.74Å; V756-F770 PolarHBondContact O-N 3.39Å; Y758-F770 HydrophobicContact CD1-CE1 4.29Å; Y758-F770 HydrophobicContact CE1-CD1 4.45Å; Y758-F770 AromaticContact CE1-CE1 3.94Å; Y758-F770 HydrophobicContact CE1-CE1 3.94Å; F770-V772 HydrophobicContact CD2-CG2 4.18Å; F770-V772 HydrophobicContact CE2-CG2 4.01Å; F770-T780 HydrophobicContact CE2-CG2 4.05Å; F770-T780 HydrophobicContact CZ-CG2 3.6Å; F770-T780 WeakPolarHBondContact CZ-OG1 3.02Å
771	E	93.7	Very high	91.8	Very high	102 Å²	102	84.6 Å²	84.6	48%	0.477	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	156.4	173	-77.7	-168.4	-149.2	0	0	113.1	R753 Y754 L755	R753-E771 IonicContact CZ-OE2 3.39Å; R753-E771 IonicContact NE-OE2 2.8Å; R753-E771 PolarHBondContact NE-OE2 2.9Å; R753-E771 IonicContact NH2-OE1 3.32Å; R753-E771 IonicContact NH2-OE2 3.08Å; R753-E771 PolarHBondContact NH2-OE2 2.85Å; Y754-E771 WeakPolarHBondContact O-CA 3.37Å; L755-E771 HydrophobicContact CB-CG 4.43Å; L755-E771 HydrophobicContact CD1-CG 3.85Å
772	V	94.7	Very high	91.9	Very high	20 Å²	20	82.7 Å²	82.7	12%	0.121	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.8	174	179.1	0	0	0	0	109	W739 R753 Y754 V756 F770 E777	W739-V772 HydrophobicContact CH2-CG2 4.02Å; W739-V772 HydrophobicContact CZ2-CB 4.44Å; W739-V772 HydrophobicContact CZ2-CG1 4.15Å; W739-V772 HydrophobicContact CZ2-CG2 4.23Å; R753-V772 WeakPolarHBondContact CB-O 3.32Å; Y754-V772 PolarHBondContact N-O 2.64Å; Y754-V772 PolarHBondContact O-N 3.36Å; V756-V772 HydrophobicContact CG2-CG2 3.95Å; F770-V772 HydrophobicContact CD2-CG2 4.18Å; F770-V772 HydrophobicContact CE2-CG2 4.01Å; V772-E777 HydrophobicContact CG1-CB 3.87Å; V772-E777 HydrophobicContact CG1-CG 3.81Å
773	E	92.9	Very high	92.1	Very high	164 Å²	164	85 Å²	85	77%	0.766	44%	0.442	S	S	*	.			trans	-80.9	-27.4	-168.3	-65.4	-164.2	150.3	0	0	115.6	R753 P775	R753-E773 VanDerWaalsContact CB-O 3.32Å; R753-E773 WeakPolarHBondContact CB-O 3.37Å; E773-P775 WeakPolarHBondContact O-CD 3.48Å
774	D	91.9	Very high	92.4	Very high	84 Å²	84	85 Å²	85	45%	0.449	44%	0.435	S	S	.	.			trans	-82.7	119.6	-178.7	-171.1	-23.8	0	0	0	110.8	L776 E777	D774-L776 PolarHBondContact O-N 3.33Å; D774-L776 VanDerWaalsContact O-N 3.15Å; D774-L776 WeakPolarHBondContact OD1-CB 3.33Å; D774-L776 PolarHBondContact OD1-N 3.12Å; D774-E777 HydrophobicContact CB-CB 4.11Å; D774-E777 PolarHBondContact O-N 2.84Å
775	P	89.5	Confident	92.7	Very high	32 Å²	32	83 Å²	83	21%	0.208	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.1	177.6	27.6	-35.5	0	0	0	114.9	F752 Y754 E773	F752-P775 HydrophobicContact CD1-CB 3.52Å; F752-P775 HydrophobicContact CE1-CB 4.13Å; F752-P775 HydrophobicContact CG-CB 4.44Å; F752-P775 WeakPolarHBondContact O-CB 3.47Å; F752-P775 WeakPolarHBondContact O-CD 3.4Å; Y754-P775 VanDerWaalsContact CE2-O 3.29Å; Y754-P775 WeakPolarHBondContact CE2-O 3.37Å; Y754-P775 PolarHBondContact OH-O 2.99Å; E773-P775 WeakPolarHBondContact O-CD 3.48Å
776	L	90.7	Very high	92.7	Very high	120 Å²	120	84 Å²	84	63%	0.628	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-9.9	177.6	-57	-179.7	0	0	0	113.4	P741 D774	P741-L776 WeakPolarHBondContact CG-O 3.48Å; D774-L776 PolarHBondContact O-N 3.33Å; D774-L776 VanDerWaalsContact O-N 3.15Å; D774-L776 WeakPolarHBondContact OD1-CB 3.33Å; D774-L776 PolarHBondContact OD1-N 3.12Å
777	E	92.2	Very high	92.6	Very high	59 Å²	59	77.9 Å²	77.9	28%	0.276	39%	0.385	S	S	.	.			trans	-61.7	145.9	177.2	-175.7	54.3	-100.4	0	0	110.9	W739 V772 D774 H779	W739-E777 HydrophobicContact CH2-CG 4.47Å; W739-E777 HydrophobicContact CZ2-CB 4.39Å; W739-E777 HydrophobicContact CZ2-CG 3.95Å; W739-E777 PolarHBondContact NE1-O 2.7Å; V772-E777 HydrophobicContact CG1-CB 3.87Å; V772-E777 HydrophobicContact CG1-CG 3.81Å; D774-E777 HydrophobicContact CB-CB 4.11Å; D774-E777 PolarHBondContact O-N 2.84Å; E777-H779 IonicContact OE1-CE1 3.79Å; E777-H779 IonicContact OE1-CG 2.68Å; E777-H779 PolarHBondContact OE1-N 2.8Å; E777-H779 IonicContact OE1-ND1 3.12Å; E777-H779 PolarHBondContact OE1-ND1 3.31Å
778	N	93.2	Very high	92.4	Very high	83 Å²	83	76.6 Å²	76.6	44%	0.444	38%	0.383	S	S	.	.			trans	-130.4	-2.5	-172.7	73.2	-4.3	0	0	0	114	Y738 W739	Y738-N778 CarbonylContact C-O 3.52Å; Y738-N778 WeakPolarHBondContact CA-O 3.31Å; W739-N778 PolarHBondContact N-O 3.23Å; W739-N778 WeakPolarHBondContact O-CB 3.5Å
779	H	94.4	Very high	92.2	Very high	72 Å²	72	76.7 Å²	76.7	33%	0.333	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	173.6	179.2	78.7	-49.8	0	0	0	114.8	I737 Y738 W739 E777	I737-H779 CarbonylContact O-C 3.59Å; I737-H779 WeakPolarHBondContact O-CA 3.45Å; I737-H779 VanDerWaalsContact O-CB 3.28Å; I737-H779 WeakPolarHBondContact O-CB 3.48Å; Y738-H779 HydrophobicContact CD1-CB 3.48Å; Y738-H779 VanDerWaalsContact CD1-CB 3.48Å; Y738-H779 HydrophobicContact CE1-CB 3.9Å; Y738-H779 HydrophobicContact CG-CB 4.19Å; W739-H779 VanDerWaalsContact CH2-C 3.48Å; W739-H779 VanDerWaalsContact CH2-O 3.32Å; W739-H779 WeakPolarHBondContact CH2-O 3.45Å; E777-H779 IonicContact OE1-CE1 3.79Å; E777-H779 IonicContact OE1-CG 2.68Å; E777-H779 PolarHBondContact OE1-N 2.8Å; E777-H779 IonicContact OE1-ND1 3.12Å; E777-H779 PolarHBondContact OE1-ND1 3.31Å
780	T	94.4	Very high	92.1	Very high	26 Å²	26	75.5 Å²	75.5	16%	0.16	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	151.3	175.4	-172.7	0	0	0	0	111.7	V736 I737 W739 V756 F770	V736-T780 CarbonylContact C-O 3.42Å; V736-T780 WeakPolarHBondContact CA-O 3.28Å; V736-T780 VanDerWaalsContact CG1-O 3.27Å; V736-T780 WeakPolarHBondContact CG1-O 3.33Å; I737-T780 HydrophobicContact CB-CG2 3.96Å; I737-T780 PolarHBondContact N-O 2.94Å; I737-T780 PolarHBondContact O-N 2.83Å; W739-T780 HydrophobicContact CH2-CG2 4.17Å; W739-T780 HydrophobicContact CZ3-CG2 3.82Å; V756-T780 HydrophobicContact CG1-CG2 4.35Å; F770-T780 HydrophobicContact CE2-CG2 4.05Å; F770-T780 HydrophobicContact CZ-CG2 3.6Å; F770-T780 WeakPolarHBondContact CZ-OG1 3.02Å
781	V	93.4	Very high	92.1	Very high	65 Å²	65	72.6 Å²	72.6	39%	0.394	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.4	-174	-178.4	0	0	0	0	110.5	V736 R783	V736-V781 HydrophobicContact CG1-CG2 4Å; V736-V781 HydrophobicContact CG2-CG1 4.34Å; V736-V781 HydrophobicContact CG2-CG2 4.1Å; V781-R783 HydrophobicContact CG1-CG 4.33Å
782	I	93.8	Very high	92.2	Very high	10 Å²	10	68.3 Å²	68.3	5%	0.051	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.1	177.9	-61.8	151.2	0	0	0	108.3	N734 I735 I737 Y758 Q785	N734-I782 CarbonylContact C-O 3.45Å; N734-I782 WeakPolarHBondContact CA-O 3.22Å; N734-I782 VanDerWaalsContact CB-O 3.31Å; N734-I782 WeakPolarHBondContact CB-O 3.39Å; I735-I782 HydrophobicContact CG2-CB 3.98Å; I735-I782 HydrophobicContact CG2-CD1 4.17Å; I735-I782 HydrophobicContact CG2-CG2 4.33Å; I735-I782 PolarHBondContact N-O 3.1Å; I735-I782 WeakPolarHBondContact O-CB 3.21Å; I735-I782 PolarHBondContact O-N 2.93Å; I737-I782 HydrophobicContact CD1-CD1 3.44Å; I737-I782 VanDerWaalsContact CD1-CD1 3.44Å; I737-I782 HydrophobicContact CG1-CD1 4.05Å; Y758-I782 HydrophobicContact CD1-CD1 3.34Å; Y758-I782 HydrophobicContact CD1-CG1 4.17Å; Y758-I782 HydrophobicContact CD2-CD1 4Å; Y758-I782 HydrophobicContact CE1-CD1 3.5Å; Y758-I782 HydrophobicContact CE1-CG1 3.82Å; Y758-I782 HydrophobicContact CE1-CG2 4.4Å; Y758-I782 HydrophobicContact CE2-CD1 4.16Å; Y758-I782 HydrophobicContact CE2-CG2 3.93Å; Y758-I782 HydrophobicContact CG-CD1 3.59Å; I782-Q785 HydrophobicContact CG2-CG 4.06Å
783	R	91.3	Very high	92.2	Very high	118 Å²	118	67.4 Å²	67.4	45%	0.445	33%	0.332	S	S	.	.			trans	-107.7	-179	-176.2	-66.3	-175.9	164.7	-76.5	-7.5	111.8	E731 D733 V781 Q785	E731-R783 VanDerWaalsContact CD-NH2 3.32Å; E731-R783 IonicContact OE1-CZ 2.69Å; E731-R783 IonicContact OE1-NH1 3.37Å; E731-R783 IonicContact OE1-NH2 2.83Å; E731-R783 PolarHBondContact OE1-NH2 3.13Å; E731-R783 VanDerWaalsContact OE1-NH2 3.12Å; E731-R783 IonicContact OE2-CZ 3.26Å; E731-R783 IonicContact OE2-NH1 3.18Å; E731-R783 PolarHBondContact OE2-NH1 3.44Å; E731-R783 IonicContact OE2-NH2 2.7Å; E731-R783 PolarHBondContact OE2-NH2 2.79Å; D733-R783 CarbonylContact O-C 3.57Å; V781-R783 HydrophobicContact CG1-CG 4.33Å; R783-Q785 VanDerWaalsContact C-N 3.27Å; R783-Q785 PolarHBondContact O-N 2.68Å; R783-Q785 PolarHBondContact O-NE2 3.12Å
784	D	90.9	Very high	92.3	Very high	147 Å²	147	61 Å²	61	79%	0.786	30%	0.301	S	S	*	.	S	Bend	trans	60.3	29.6	178	-56.2	-65.5	0	0	0	114.7	D733	D733-D784 PolarHBondContact O-N 3.46Å
785	Q	91.7	Very high	92.5	Very high	34 Å²	34	57.4 Å²	57.4	16%	0.159	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-93	147.8	-179.8	-57.9	-51.3	-65.7	0	0	112.1	D733 I735 I782 R783 Y791	D733-Q785 VanDerWaalsContact CA-O 3.28Å; D733-Q785 WeakPolarHBondContact CA-O 3.15Å; D733-Q785 PolarHBondContact O-N 3.26Å; I735-Q785 HydrophobicContact CG2-CG 4.25Å; I782-Q785 HydrophobicContact CG2-CG 4.06Å; R783-Q785 VanDerWaalsContact C-N 3.27Å; R783-Q785 PolarHBondContact O-N 2.68Å; R783-Q785 PolarHBondContact O-NE2 3.12Å; Q785-Y791 WeakPolarHBondContact CB-OH 3.26Å; Q785-Y791 VanDerWaalsContact OE1-CZ 3.25Å; Q785-Y791 PolarHBondContact OE1-OH 2.88Å
786	P	89.5	Confident	92.8	Very high	56 Å²	56	57.4 Å²	57.4	36%	0.364	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-65.2	137.4	172.8	26.5	-36.6	0	0	0	112.7	R789 Y791 S815	P786-R789 HydrophobicContact CB-CG 3.99Å; P786-R789 HydrophobicContact CG-CB 4.18Å; P786-R789 HydrophobicContact CG-CG 3.95Å; P786-Y791 WeakPolarHBondContact CD-OH 3.23Å; P786-S815 PolarHBondContact O-OG 2.89Å
787	T	88.7	Confident	93	Very high	49 Å²	49	51.8 Å²	51.8	30%	0.301	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132.9	178.3	-49.2	0	0	0	0	113.1	K732 G816 D818	K732-T787 HydrophobicContact CB-CG2 4.46Å; K732-T787 VanDerWaalsContact O-CA 3.31Å; K732-T787 WeakPolarHBondContact O-CA 3.31Å; K732-T787 WeakPolarHBondContact O-CB 3.4Å; K732-T787 PolarHBondContact O-OG1 2.73Å; T787-G816 CarbonylContact C-O 3.57Å; T787-G816 WeakPolarHBondContact CA-O 3.24Å; T787-G816 WeakPolarHBondContact CG2-O 3.14Å; T787-D818 HydrophobicContact CG2-CB 3.66Å
788	F	88.9	Confident	93.1	Very high	82 Å²	82	49.5 Å²	49.5	36%	0.36	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	54.8	175.1	-153.4	-116.6	0	0	0	114.9	S815 G816 E817 H853	F788-S815 WeakPolarHBondContact CA-O 3.3Å; F788-S815 PolarHBondContact N-OG 2.9Å; F788-G816 PolarHBondContact N-O 3Å; F788-E817 HydrophobicContact CD2-CG 3.56Å; F788-E817 HydrophobicContact CE2-CG 3.84Å; F788-E817 HydrophobicContact CG-CG 4.34Å; F788-H853 HydrophobicContact CZ-CB 4.41Å
789	R	90.9	Very high	93.1	Very high	103 Å²	103	45.9 Å²	45.9	39%	0.389	22%	0.221	S	C	.	.			trans	-124.9	163.3	178	-65	-70.5	-85.3	-85.1	-1.3	111.4	L760 E762 P786 Y791 Y814 S815	L760-R789 HydrophobicContact CD2-CB 4.1Å; E762-R789 IonicContact OE1-CZ 2.7Å; E762-R789 IonicContact OE1-NE 3.36Å; E762-R789 PolarHBondContact OE1-NE 3.4Å; E762-R789 IonicContact OE1-NH2 3.45Å; E762-R789 PolarHBondContact OE1-NH2 2.97Å; E762-R789 IonicContact OE2-CZ 3.71Å; E762-R789 IonicContact OE2-NH2 3.37Å; E762-R789 PolarHBondContact OE2-NH2 3.37Å; P786-R789 HydrophobicContact CB-CG 3.99Å; P786-R789 HydrophobicContact CG-CB 4.18Å; P786-R789 HydrophobicContact CG-CG 3.95Å; R789-Y791 HydrophobicContact CB-CE2 4.24Å; R789-Y791 WeakPolarHBondContact O-CD2 3.07Å; R789-Y814 CarbonylContact O-C 3.45Å; R789-Y814 WeakPolarHBondContact O-CA 3.37Å; R789-S815 PolarHBondContact N-OG 2.73Å; R789-S815 PolarHBondContact O-N 2.92Å; R789-S815 PolarHBondContact O-OG 3.46Å
790	R	93.2	Very high	93	Very high	96 Å²	96	45.1 Å²	45.1	36%	0.362	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.8	-163.1	-163.8	173.9	175.7	-117	-8.9	112.6	L760 D761 I812 G813 Y814	L760-R790 CarbonylContact C-O 3.19Å; L760-R790 WeakPolarHBondContact CD2-O 3.44Å; D761-R790 HydrophobicContact CB-CB 4.33Å; D761-R790 HydrophobicContact CB-CG 4.18Å; D761-R790 PolarHBondContact N-O 2.95Å; D761-R790 IonicContact OD2-CZ 3.41Å; D761-R790 VanDerWaalsContact OD2-CZ 3.28Å; D761-R790 IonicContact OD2-NE 3.61Å; D761-R790 IonicContact OD2-NH1 3.07Å; D761-R790 PolarHBondContact OD2-NH1 2.97Å; D761-R790 IonicContact OD2-NH2 2.68Å; R790-I812 HydrophobicContact CG-CG2 4.25Å; R790-G813 CarbonylContact C-O 3.4Å; R790-G813 WeakPolarHBondContact CA-O 3.27Å; R790-Y814 HydrophobicContact CB-CD1 3.92Å; R790-Y814 HydrophobicContact CB-CE1 3.72Å; R790-Y814 HydrophobicContact CG-CD1 4.2Å; R790-Y814 HydrophobicContact CG-CE1 3.84Å; R790-Y814 HydrophobicContact CG-CE2 4.34Å
791	Y	94.8	Very high	92.8	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	167.5	-164.7	-76.6	-96.5	0	0	0	114.8	I735 R759 L760 Q785 P786 R789 I812 G813	I735-Y791 VanDerWaalsContact CD1-CB 3.5Å; I735-Y791 HydrophobicContact CD1-CD1 4.43Å; I735-Y791 HydrophobicContact CD1-CD2 3.8Å; I735-Y791 HydrophobicContact CD1-CG 3.66Å; R759-Y791 CarbonylContact O-C 3.52Å; R759-Y791 VanDerWaalsContact O-CA 3.26Å; R759-Y791 WeakPolarHBondContact O-CA 3.41Å; R759-Y791 VanDerWaalsContact O-CD1 3.31Å; R759-Y791 WeakPolarHBondContact O-CD1 3.28Å; L760-Y791 HydrophobicContact CD2-CD1 4.34Å; L760-Y791 HydrophobicContact CD2-CD2 4.12Å; L760-Y791 HydrophobicContact CD2-CE1 3.82Å; L760-Y791 HydrophobicContact CD2-CE2 3.54Å; L760-Y791 HydrophobicContact CD2-CG 4.46Å; L760-Y791 HydrophobicContact CG-CD1 4.39Å; L760-Y791 HydrophobicContact CG-CE1 3.79Å; L760-Y791 HydrophobicContact CG-CE2 4.41Å; Q785-Y791 WeakPolarHBondContact CB-OH 3.26Å; Q785-Y791 VanDerWaalsContact OE1-CZ 3.25Å; Q785-Y791 PolarHBondContact OE1-OH 2.88Å; P786-Y791 WeakPolarHBondContact CD-OH 3.23Å; R789-Y791 HydrophobicContact CB-CE2 4.24Å; R789-Y791 WeakPolarHBondContact O-CD2 3.07Å; Y791-I812 VanDerWaalsContact O-CA 3.23Å; Y791-I812 WeakPolarHBondContact O-CA 3.09Å; Y791-I812 WeakPolarHBondContact O-CG2 3.41Å; Y791-G813 PolarHBondContact N-O 3.4Å; Y791-G813 PolarHBondContact O-N 3.07Å
792	V	95.1	Very high	92.6	Very high	11 Å²	11	47.2 Å²	47.2	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.2	-179.6	-161.6	0	0	0	0	112.6	Y758 R759 D761 W767 V811 I812	Y758-V792 CarbonylContact C-O 3.54Å; Y758-V792 WeakPolarHBondContact CA-O 3.32Å; R759-V792 HydrophobicContact CG-CB 4.06Å; R759-V792 HydrophobicContact CG-CG2 4.4Å; R759-V792 PolarHBondContact N-O 3.4Å; R759-V792 PolarHBondContact O-N 2.94Å; D761-V792 HydrophobicContact CB-CG2 3.82Å; W767-V792 HydrophobicContact CH2-CB 4.23Å; W767-V792 HydrophobicContact CH2-CG1 3.98Å; V792-V811 CarbonylContact C-O 3.49Å; V792-V811 WeakPolarHBondContact CA-O 3.37Å; V792-V811 WeakPolarHBondContact CG1-O 3.4Å; V792-I812 HydrophobicContact CG2-CG1 4.45Å
793	V	95.6	Very high	92.5	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.4	-165.7	-53.4	0	0	0	0	117.4	V725 A727 I737 R757 L810 V811	V725-V793 HydrophobicContact CG1-CG2 3.97Å; A727-V793 HydrophobicContact CB-CG1 4.02Å; A727-V793 HydrophobicContact CB-CG2 4.1Å; I737-V793 HydrophobicContact CD1-CB 3.95Å; I737-V793 HydrophobicContact CD1-CG1 3.48Å; I737-V793 VanDerWaalsContact CD1-CG1 3.48Å; I737-V793 HydrophobicContact CG1-CB 4.44Å; I737-V793 HydrophobicContact CG1-CG1 3.88Å; I737-V793 HydrophobicContact CG2-CB 4.18Å; I737-V793 HydrophobicContact CG2-CG2 4.11Å; R757-V793 CarbonylContact O-C 3.59Å; R757-V793 VanDerWaalsContact O-CA 3.28Å; R757-V793 WeakPolarHBondContact O-CA 3.37Å; V793-L810 CarbonylContact O-C 3.5Å; V793-L810 VanDerWaalsContact O-CA 3.3Å; V793-L810 WeakPolarHBondContact O-CA 3.28Å; V793-V811 HydrophobicContact CG2-CB 3.84Å; V793-V811 PolarHBondContact N-O 3.07Å; V793-V811 PolarHBondContact O-N 3Å
794	Q	94.6	Very high	92.6	Very high	28 Å²	28	47.1 Å²	47.1	13%	0.131	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	163.6	177.7	57.9	177.3	-61.8	0	0	117.2	V756 R757 W767 N809 L810	V756-Q794 CarbonylContact C-O 3.47Å; V756-Q794 WeakPolarHBondContact CA-O 3.36Å; R757-Q794 HydrophobicContact CB-CG 3.62Å; R757-Q794 HydrophobicContact CG-CG 3.88Å; R757-Q794 PolarHBondContact N-O 3.31Å; R757-Q794 PolarHBondContact O-N 3.18Å; W767-Q794 HydrophobicContact CZ3-CG 4.32Å; Q794-N809 WeakPolarHBondContact CA-O 3.44Å; Q794-N809 WeakPolarHBondContact CB-O 3.32Å; Q794-L810 HydrophobicContact CB-CD2 4.2Å; Q794-L810 HydrophobicContact CG-CD2 4.4Å
795	V	95.9	Very high	92.4	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	146.4	-173.8	-171.2	0	0	0	0	117	V725 W739 L755 V756 P808	V725-V795 HydrophobicContact CG1-CG2 4.27Å; V725-V795 HydrophobicContact CG2-CB 4.22Å; V725-V795 HydrophobicContact CG2-CG2 3.9Å; W739-V795 HydrophobicContact CB-CG1 4.49Å; W739-V795 HydrophobicContact CB-CG2 4.36Å; W739-V795 HydrophobicContact CD2-CG1 4.11Å; W739-V795 HydrophobicContact CD2-CG2 4.27Å; W739-V795 HydrophobicContact CE3-CG1 4.41Å; W739-V795 HydrophobicContact CE3-CG2 3.87Å; W739-V795 HydrophobicContact CG-CG1 4.12Å; W739-V795 HydrophobicContact CG-CG2 4.49Å; L755-V795 CarbonylContact O-C 3.3Å; L755-V795 WeakPolarHBondContact O-CA 3.47Å; L755-V795 WeakPolarHBondContact O-CG1 3.32Å; V756-V795 HydrophobicContact CG1-CG2 4.39Å; V756-V795 HydrophobicContact CG2-CG1 4.24Å; V756-V795 HydrophobicContact CG2-CG2 4.25Å; V795-P808 WeakPolarHBondContact O-CB 3.42Å
796	Q	95.1	Very high	92.2	Very high	31 Å²	31	50.1 Å²	50.1	15%	0.145	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	170.1	-177.4	-160.2	176.7	13.9	0	0	115.4	Y754 L755 V806	Y754-Q796 CarbonylContact C-O 3.58Å; Y754-Q796 VanDerWaalsContact CA-O 3.23Å; Y754-Q796 WeakPolarHBondContact CA-O 3.04Å; Y754-Q796 WeakPolarHBondContact CB-O 3.37Å; L755-Q796 HydrophobicContact CB-CB 4.46Å; L755-Q796 PolarHBondContact N-O 2.79Å; L755-Q796 PolarHBondContact O-N 3.5Å; Q796-V806 PolarHBondContact NE2-O 2.85Å
797	A	95.5	Very high	92.2	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	164.8	-172.9	0	0	0	0	0	119.5	N721 P722 M742 F752 Y754 S804	N721-A797 PolarHBondContact OD1-N 2.81Å; N721-A797 VanDerWaalsContact OD1-N 3.11Å; P722-A797 HydrophobicContact CG-CB 3.95Å; M742-A797 HydrophobicContact SD-CB 4.17Å; F752-A797 HydrophobicContact CE2-CB 3.96Å; F752-A797 HydrophobicContact CZ-CB 3.92Å; Y754-A797 HydrophobicContact CD1-CB 3.8Å; Y754-A797 HydrophobicContact CE1-CB 4.04Å; A797-S804 WeakPolarHBondContact O-CB 3.46Å; A797-S804 PolarHBondContact O-N 2.81Å
798	V	94.5	Very high	92.4	Very high	11 Å²	11	55.3 Å²	55.3	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	151.2	-169.9	47.4	0	0	0	0	115.3	F752 R753 G802 L803	F752-V798 CarbonylContact C-O 3.54Å; F752-V798 VanDerWaalsContact CA-O 3.26Å; F752-V798 WeakPolarHBondContact CA-O 3.35Å; F752-V798 WeakPolarHBondContact CD2-O 3.3Å; R753-V798 HydrophobicContact CB-CG1 4.48Å; R753-V798 HydrophobicContact CG-CG1 3.46Å; R753-V798 VanDerWaalsContact CG-CG1 3.46Å; R753-V798 PolarHBondContact N-O 2.86Å; R753-V798 VanDerWaalsContact O-CG1 3.24Å; R753-V798 WeakPolarHBondContact O-CG1 3.28Å; R753-V798 PolarHBondContact O-N 2.83Å; V798-G802 WeakPolarHBondContact CG2-O 3.32Å; V798-L803 HydrophobicContact CB-CD2 3.77Å; V798-L803 HydrophobicContact CG1-CD2 4.44Å; V798-L803 HydrophobicContact CG2-CD2 4Å
799	N	93.6	Very high	92.3	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	30%	0.304	C	S	.	.			trans	-129	-172	169.1	105.3	-21	0	0	0	115.7	P718 W747 R751 F752 I801 G802	P718-N799 HydrophobicContact CG-CB 4.36Å; P718-N799 VanDerWaalsContact CG-CG 3.47Å; P718-N799 WeakPolarHBondContact CG-ND2 3.42Å; P718-N799 WeakPolarHBondContact CG-OD1 3.49Å; W747-N799 PolarHBondContact O-ND2 2.77Å; W747-N799 VanDerWaalsContact O-ND2 3.16Å; R751-N799 CarbonylContact O-C 3.47Å; R751-N799 VanDerWaalsContact O-C 3.31Å; R751-N799 VanDerWaalsContact O-CA 3.25Å; R751-N799 WeakPolarHBondContact O-CA 3.46Å; F752-N799 HydrophobicContact CB-CB 4.2Å; F752-N799 HydrophobicContact CD2-CB 4Å; N799-I801 PolarHBondContact O-N 2.63Å; N799-I801 VanDerWaalsContact O-N 3.09Å; N799-I801 PolarHBondContact OD1-N 2.78Å; N799-G802 PolarHBondContact N-O 2.88Å; N799-G802 PolarHBondContact O-N 2.59Å
800	S	91.6	Very high	92.4	Very high	56 Å²	56	58.2 Å²	58.2	39%	0.392	31%	0.314	S	S	.	.	S	Bend	trans	-54.7	-20.3	178.8	66.7	0	0	0	0	116.7	E750 R751	E750-S800 WeakPolarHBondContact O-CB 3.47Å; E750-S800 PolarHBondContact O-N 2.78Å; E750-S800 PolarHBondContact O-OG 2.86Å; R751-S800 PolarHBondContact O-N 3.26Å
801	I	89.4	Confident	92.3	Very high	101 Å²	101	55.8 Å²	55.8	52%	0.518	31%	0.309	S	S	.	.	S	Bend	trans	-103.2	-24.4	-178.3	-36.3	-63.5	0	0	0	112.3	F717 N799	F717-I801 HydrophobicContact CD2-CG1 4.42Å; F717-I801 HydrophobicContact CD2-CG2 4.08Å; F717-I801 HydrophobicContact CE2-CB 4.25Å; F717-I801 HydrophobicContact CE2-CG2 3.45Å; F717-I801 VanDerWaalsContact CE2-CG2 3.45Å; F717-I801 HydrophobicContact CZ-CG2 3.9Å; N799-I801 PolarHBondContact O-N 2.63Å; N799-I801 VanDerWaalsContact O-N 3.09Å; N799-I801 PolarHBondContact OD1-N 2.78Å
802	G	90.1	Very high	92.2	Very high	34 Å²	34	59.6 Å²	59.6	35%	0.351	33%	0.329	S	S	.	.			trans	166.9	175.2	177.7	0	0	0	0	0	116.1	V798 N799	V798-G802 WeakPolarHBondContact CG2-O 3.32Å; N799-G802 PolarHBondContact N-O 2.88Å; N799-G802 PolarHBondContact O-N 2.59Å
803	L	92.1	Very high	92	Very high	108 Å²	108	59.4 Å²	59.4	57%	0.565	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-62	155.9	169.1	-68.7	176.6	0	0	0	111.1	V798	V798-L803 HydrophobicContact CB-CD2 3.77Å; V798-L803 HydrophobicContact CG1-CD2 4.44Å; V798-L803 HydrophobicContact CG2-CD2 4Å
804	S	92.3	Very high	91.8	Very high	18 Å²	18	64.9 Å²	64.9	13%	0.126	35%	0.35	C	S	.	.			trans	-64	143.1	166.5	-165.8	0	0	0	0	111.9	T720 N721 A797 V806	T720-S804 VanDerWaalsContact C-OG 3.25Å; T720-S804 VanDerWaalsContact O-CB 3.28Å; T720-S804 WeakPolarHBondContact O-CB 3.21Å; T720-S804 PolarHBondContact O-OG 2.82Å; N721-S804 WeakPolarHBondContact OD1-CB 3.43Å; A797-S804 WeakPolarHBondContact O-CB 3.46Å; A797-S804 PolarHBondContact O-N 2.81Å; S804-V806 PolarHBondContact O-N 3.03Å; S804-V806 VanDerWaalsContact O-N 3.12Å
805	L	86.9	Confident	91.6	Very high	168 Å²	168	63.7 Å²	63.7	88%	0.88	35%	0.345	S	S	*	.	S	Bend	trans	-84.9	30.5	-176.4	-57.5	176.4	0	0	0	112.9
806	V	87.6	Confident	91.2	Very high	76 Å²	76	63.7 Å²	63.7	46%	0.461	35%	0.347	S	S	.	.	S	Bend	trans	-143.5	149.7	-167.9	-171.2	0	0	0	0	111.5	N721 Q796 S804	N721-V806 VanDerWaalsContact ND2-C 3.32Å; N721-V806 PolarHBondContact ND2-O 2.87Å; Q796-V806 PolarHBondContact NE2-O 2.85Å; S804-V806 PolarHBondContact O-N 3.03Å; S804-V806 VanDerWaalsContact O-N 3.12Å
807	E	90.1	Very high	91	Very high	173 Å²	173	63.8 Å²	63.8	81%	0.808	35%	0.348	S	S	*	.			trans	-94.7	168.5	-177.7	-65.8	-171.6	152.9	0	0	114.8	N721	N721-E807 PolarHBondContact ND2-O 2.87Å
808	P	92	Very high	90.6	Very high	41 Å²	41	65.6 Å²	65.6	27%	0.266	36%	0.357	S	S	.	.			trans	-116.3	178.6	-175	43.2	-34.6	0	0	0	117	V795	V795-P808 WeakPolarHBondContact O-CB 3.42Å
809	N	86.9	Confident	90.3	Very high	136 Å²	136	67.9 Å²	67.9	73%	0.727	37%	0.371	S	S	*	.			trans	-108	163	-175	-70.9	-32.9	0	0	0	114.9	Q794	Q794-N809 WeakPolarHBondContact CA-O 3.44Å; Q794-N809 WeakPolarHBondContact CB-O 3.32Å
810	L	93.4	Very high	90.3	Very high	111 Å²	111	67.7 Å²	67.7	58%	0.581	37%	0.37	S	S	*	.			trans	-112.2	143	-178.7	-61.1	168.1	0	0	0	113.8	W767 V793 Q794	W767-L810 HydrophobicContact CH2-CD2 3.58Å; W767-L810 HydrophobicContact CZ2-CD2 3.89Å; V793-L810 CarbonylContact O-C 3.5Å; V793-L810 VanDerWaalsContact O-CA 3.3Å; V793-L810 WeakPolarHBondContact O-CA 3.28Å; Q794-L810 HydrophobicContact CB-CD2 4.2Å; Q794-L810 HydrophobicContact CG-CD2 4.4Å
811	V	91	Very high	90.3	Very high	44 Å²	44	69.3 Å²	69.3	27%	0.267	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	162.6	-179	-166.6	0	0	0	0	112.5	V725 V792 V793	V725-V811 HydrophobicContact CB-CG2 3.89Å; V725-V811 HydrophobicContact CG1-CB 4.48Å; V725-V811 HydrophobicContact CG1-CG2 3.93Å; V792-V811 CarbonylContact C-O 3.49Å; V792-V811 WeakPolarHBondContact CA-O 3.37Å; V792-V811 WeakPolarHBondContact CG1-O 3.4Å; V793-V811 HydrophobicContact CG2-CB 3.84Å; V793-V811 PolarHBondContact N-O 3.07Å; V793-V811 PolarHBondContact O-N 3Å
812	I	92.8	Very high	90.4	Very high	83 Å²	83	65.9 Å²	65.9	43%	0.426	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.5	-176.7	-65.7	176.6	0	0	0	112.4	R790 Y791 V792	R790-I812 HydrophobicContact CG-CG2 4.25Å; Y791-I812 VanDerWaalsContact O-CA 3.23Å; Y791-I812 WeakPolarHBondContact O-CA 3.09Å; Y791-I812 WeakPolarHBondContact O-CG2 3.41Å; V792-I812 HydrophobicContact CG2-CG1 4.45Å
813	G	90	Very high	90.5	Very high	7 Å²	7	66 Å²	66	7%	0.072	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	-176.7	173.9	0	0	0	0	0	114.9	A727 R790 Y791	A727-G813 VanDerWaalsContact O-CA 3.31Å; A727-G813 WeakPolarHBondContact O-CA 3.48Å; R790-G813 CarbonylContact C-O 3.4Å; R790-G813 WeakPolarHBondContact CA-O 3.27Å; Y791-G813 PolarHBondContact N-O 3.4Å; Y791-G813 PolarHBondContact O-N 3.07Å
814	Y	92	Very high	90.5	Very high	117 Å²	117	61 Å²	61	46%	0.459	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.1	172.4	-74.7	-90.2	0	0	0	111.8	A728 G729 R789 R790	A728-Y814 CarbonylContact C-O 3.49Å; G729-Y814 PolarHBondContact N-O 2.85Å; R789-Y814 CarbonylContact O-C 3.45Å; R789-Y814 WeakPolarHBondContact O-CA 3.37Å; R790-Y814 HydrophobicContact CB-CD1 3.92Å; R790-Y814 HydrophobicContact CB-CE1 3.72Å; R790-Y814 HydrophobicContact CG-CD1 4.2Å; R790-Y814 HydrophobicContact CG-CE1 3.84Å; R790-Y814 HydrophobicContact CG-CE2 4.34Å
815	S	91.3	Very high	90.5	Very high	3 Å²	3	67 Å²	67	2%	0.021	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-83.4	163.1	167.5	53.6	0	0	0	0	112.7	N734 P786 F788 R789	N734-S815 VanDerWaalsContact O-CA 3.26Å; N734-S815 WeakPolarHBondContact O-CA 3.45Å; N734-S815 WeakPolarHBondContact O-CB 3.33Å; P786-S815 PolarHBondContact O-OG 2.89Å; F788-S815 WeakPolarHBondContact CA-O 3.3Å; F788-S815 PolarHBondContact N-OG 2.9Å; R789-S815 PolarHBondContact N-OG 2.73Å; R789-S815 PolarHBondContact O-N 2.92Å; R789-S815 PolarHBondContact O-OG 3.46Å
816	G	87.1	Confident	90.7	Very high	10 Å²	10	64.5 Å²	64.5	10%	0.103	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-68.3	164.6	-171.7	0	0	0	0	0	116.4	E731 T787 F788	E731-G816 WeakPolarHBondContact O-CA 3.37Å; T787-G816 CarbonylContact C-O 3.57Å; T787-G816 WeakPolarHBondContact CA-O 3.24Å; T787-G816 WeakPolarHBondContact CG2-O 3.14Å; F788-G816 PolarHBondContact N-O 3Å
817	E	89.9	Confident	91	Very high	34 Å²	34	62 Å²	62	16%	0.159	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-86.4	161.8	179.6	-60.3	-173.6	-143.2	0	0	112.6	K732 F788 G852 H853 S908	K732-E817 WeakPolarHBondContact CB-O 3.03Å; F788-E817 HydrophobicContact CD2-CG 3.56Å; F788-E817 HydrophobicContact CE2-CG 3.84Å; F788-E817 HydrophobicContact CG-CG 4.34Å; E817-G852 WeakPolarHBondContact OE2-CA 3.01Å; E817-H853 PolarHBondContact OE2-N 2.9Å; E817-S908 VanDerWaalsContact CD-OG 3.29Å; E817-S908 VanDerWaalsContact OE1-CB 3.3Å; E817-S908 WeakPolarHBondContact OE1-CB 3.48Å; E817-S908 PolarHBondContact OE1-OG 3.12Å; E817-S908 WeakPolarHBondContact OE2-CB 3.44Å; E817-S908 PolarHBondContact OE2-OG 3.29Å; E817-S908 VanDerWaalsContact OE2-OG 3.12Å
818	D	89.1	Confident	91.2	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.214	31%	0.312	C	S	.	.			trans	-130.3	172.3	171.6	-165.3	11.4	0	0	0	110.9	K732 T787 K851 N907 H910	K732-D818 HydrophobicContact CB-CB 4.11Å; K732-D818 HydrophobicContact CD-CB 3.76Å; K732-D818 VanDerWaalsContact CD-OD1 3.25Å; K732-D818 WeakPolarHBondContact CD-OD1 3.22Å; K732-D818 VanDerWaalsContact CD-OD2 3.31Å; K732-D818 WeakPolarHBondContact CD-OD2 3.18Å; K732-D818 IonicContact NZ-OD1 2.7Å; K732-D818 PolarHBondContact NZ-OD1 2.66Å; K732-D818 IonicContact NZ-OD2 2.72Å; K732-D818 PolarHBondContact NZ-OD2 2.84Å; T787-D818 HydrophobicContact CG2-CB 3.66Å; D818-K851 HydrophobicContact CB-CB 4.04Å; D818-K851 PolarHBondContact N-O 2.82Å; D818-N907 PolarHBondContact O-ND2 3.17Å; D818-H910 VanDerWaalsContact C-CD2 3.43Å
819	T	87.9	Confident	91.3	Very high	59 Å²	59	58.5 Å²	58.5	36%	0.362	31%	0.31	S	S	.	.			trans	-68	136.7	-173.7	-55.3	0	0	0	0	112.3	T821 H910 D911	T819-T821 WeakPolarHBondContact O-CG2 3Å; T819-H910 HydrophobicContact CG2-CB 4.33Å; T819-D911 WeakPolarHBondContact CG2-O 3.3Å
820	P	92.3	Very high	91.4	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.019	30%	0.295	C	S	.	.			trans	-58.9	140.5	174.7	-23	32.4	0	0	0	112.7	S849 I850 N907 H910 G912 P913	P820-S849 CarbonylContact C-O 3.52Å; P820-S849 WeakPolarHBondContact CA-O 3.48Å; P820-I850 HydrophobicContact CB-CD1 4.41Å; P820-I850 HydrophobicContact CG-CG2 4.42Å; P820-N907 HydrophobicContact CG-CB 4.3Å; P820-H910 WeakPolarHBondContact CD-O 3.39Å; P820-G912 WeakPolarHBondContact O-CA 3.36Å; P820-P913 WeakPolarHBondContact O-CD 3.04Å
821	T	92.1	Very high	91.1	Very high	89 Å²	89	54.9 Å²	54.9	55%	0.546	29%	0.292	S	S	.	.			trans	-108.6	-3.8	-166	64	0	0	0	0	115.4	T819 S849 K851	T819-T821 WeakPolarHBondContact O-CG2 3Å; T821-S849 PolarHBondContact N-O 2.93Å; T821-S849 PolarHBondContact OG1-O 2.91Å; T821-K851 HydrophobicContact CG2-CG 4.17Å
822	A	90.8	Very high	90.9	Very high	30 Å²	30	56.4 Å²	56.4	25%	0.248	30%	0.302	C	S	.	.			trans	-125.4	146.7	179	0	0	0	0	0	112.3	S849	A822-S849 WeakPolarHBondContact CB-OG 3.26Å
823	S	92.3	Very high	90.3	Very high	37 Å²	37	56.5 Å²	56.5	26%	0.259	30%	0.302	S	S	.	.			trans	-104.3	150.9	175.8	53.6	0	0	0	0	111.7	P913 Q914	S823-P913 VanDerWaalsContact CB-O 3.22Å; S823-P913 WeakPolarHBondContact CB-O 3.45Å; S823-Q914 VanDerWaalsContact CB-O 3.31Å; S823-Q914 WeakPolarHBondContact CB-O 3.23Å; S823-Q914 PolarHBondContact OG-O 2.86Å
824	P	93.3	Very high	90	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.019	32%	0.316	C	S	.	.			trans	-60.4	145.9	172.3	-23.6	35.3	0	0	0	112.3	W842 V845 Y857 V903 S915	P824-W842 HydrophobicContact CB-CB 4.16Å; P824-W842 HydrophobicContact CB-CG 4.2Å; P824-V845 HydrophobicContact CG-CG1 4.15Å; P824-Y857 HydrophobicContact CG-CD1 3.7Å; P824-Y857 HydrophobicContact CG-CE1 3.86Å; P824-V903 HydrophobicContact CB-CB 4.45Å; P824-V903 HydrophobicContact CB-CG1 4.49Å; P824-V903 HydrophobicContact CG-CB 4.23Å; P824-V903 HydrophobicContact CG-CG1 3.99Å; P824-S915 WeakPolarHBondContact O-CB 3.41Å
825	K	92.3	Very high	89.6	Confident	143 Å²	143	55.1 Å²	55.1	62%	0.622	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	168.8	-176.6	-65.7	-178.9	-177.9	174	0	111.8	V827 D843	K825-V827 PolarHBondContact O-N 2.92Å; K825-V827 VanDerWaalsContact O-N 3.1Å; K825-D843 HydrophobicContact CB-CB 4.22Å; K825-D843 PolarHBondContact O-N 2.79Å
826	N	91.6	Very high	89.4	Confident	116 Å²	116	57.2 Å²	57.2	62%	0.62	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53	31.4	177.5	-67.3	-38	0	0	0	114.9	K828 D843	N826-K828 PolarHBondContact O-N 3.05Å; N826-D843 PolarHBondContact ND2-OD2 2.77Å
827	V	93.7	Very high	89.5	Confident	24 Å²	24	57.5 Å²	57.5	15%	0.145	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	117.3	179.7	-173.6	0	0	0	0	110.4	K825 V840 E841 W842 L901 V903 L918	K825-V827 PolarHBondContact O-N 2.92Å; K825-V827 VanDerWaalsContact O-N 3.1Å; V827-V840 HydrophobicContact CG1-CG2 3.75Å; V827-E841 WeakPolarHBondContact CA-O 3.2Å; V827-W842 HydrophobicContact CG2-CB 3.98Å; V827-L901 HydrophobicContact CG1-CD2 3.62Å; V827-V903 HydrophobicContact CG1-CG2 3.83Å; V827-V903 HydrophobicContact CG2-CG2 4.24Å; V827-L918 HydrophobicContact CG1-CD2 4.18Å
828	K	93.9	Very high	89.6	Confident	94 Å²	94	55.9 Å²	55.9	41%	0.409	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.4	-173.9	65.8	-172.2	175.4	176.7	0	111.3	N826 V840 E841	N826-K828 PolarHBondContact O-N 3.05Å; K828-V840 CarbonylContact O-C 3.53Å; K828-V840 VanDerWaalsContact O-CA 3.31Å; K828-V840 WeakPolarHBondContact O-CA 3.36Å; K828-V840 WeakPolarHBondContact O-CG2 3.49Å; K828-E841 WeakPolarHBondContact CE-OE1 3.24Å; K828-E841 WeakPolarHBondContact CE-OE2 3.38Å; K828-E841 HydrophobicContact CG-CB 4.21Å; K828-E841 PolarHBondContact N-O 3.06Å; K828-E841 VanDerWaalsContact N-O 3.08Å; K828-E841 IonicContact NZ-OE1 3.68Å; K828-E841 PolarHBondContact NZ-OE1 2.98Å; K828-E841 IonicContact NZ-OE2 3.89Å; K828-E841 PolarHBondContact NZ-OE2 3.36Å; K828-E841 PolarHBondContact O-N 2.62Å
829	I	93.3	Very high	89.8	Confident	45 Å²	45	55 Å²	55	23%	0.231	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.6	162.5	-59	-50.5	0	0	0	107.1	E831 V832 V838 V839 V840 L918 F920	I829-E831 WeakPolarHBondContact CG2-O 3.3Å; I829-V832 HydrophobicContact CG2-CG2 4.03Å; I829-V838 HydrophobicContact CD1-CG2 3.96Å; I829-V838 HydrophobicContact CG2-CB 4.16Å; I829-V839 CarbonylContact C-O 3.55Å; I829-V839 VanDerWaalsContact CA-O 3.31Å; I829-V839 WeakPolarHBondContact CA-O 3.45Å; I829-V839 WeakPolarHBondContact CG2-O 3.35Å; I829-V840 HydrophobicContact CD1-CB 4.24Å; I829-V840 HydrophobicContact CD1-CG2 4.47Å; I829-L918 HydrophobicContact CD1-CD2 3.83Å; I829-L918 HydrophobicContact CG1-CD2 3.96Å; I829-F920 HydrophobicContact CD1-CD1 3.99Å; I829-F920 HydrophobicContact CD1-CE1 4.23Å; I829-F920 HydrophobicContact CD1-CG 4.22Å; I829-F920 HydrophobicContact CG1-CB 3.96Å; I829-F920 HydrophobicContact CG1-CD1 4.16Å; I829-F920 HydrophobicContact CG1-CG 3.97Å
830	S	89.7	Confident	90.1	Very high	58 Å²	58	52.1 Å²	52.1	41%	0.406	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-32.7	178.2	51	0	0	0	0	112.5	V839 E841	S830-V839 PolarHBondContact N-O 2.77Å; S830-V839 WeakPolarHBondContact OG-CG1 3.43Å; S830-V839 PolarHBondContact OG-O 3.01Å; S830-E841 WeakPolarHBondContact CB-OE2 3.36Å
831	E	87.6	Confident	90.2	Very high	114 Å²	114	55.4 Å²	55.4	53%	0.533	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.9	-178.7	-170.7	176.3	-171.2	0	0	111.9	I829 I833 V838 V839	I829-E831 WeakPolarHBondContact CG2-O 3.3Å; E831-I833 HydrophobicContact CG-CG1 4.16Å; E831-V838 CarbonylContact O-C 3.48Å; E831-V838 WeakPolarHBondContact O-CA 3.46Å; E831-V839 HydrophobicContact CB-CB 4.08Å; E831-V839 HydrophobicContact CB-CG2 4.03Å; E831-V839 PolarHBondContact O-N 3.18Å
832	V	85.8	Confident	90.4	Very high	76 Å²	76	51.4 Å²	51.4	46%	0.461	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	102.4	171.2	177.5	0	0	0	0	107.7	I829 V838 P923	I829-V832 HydrophobicContact CG2-CG2 4.03Å; V832-V838 HydrophobicContact CB-CG1 4.45Å; V832-V838 HydrophobicContact CG1-CG1 4.25Å; V832-V838 HydrophobicContact CG2-CG1 4.08Å; V832-P923 HydrophobicContact CG1-CG 3.69Å
833	I	81.3	Confident	90.5	Very high	84 Å²	84	53.2 Å²	53.2	43%	0.431	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-41.2	-170.7	-65.5	173.5	0	0	0	110.9	E831 T837 V839	E831-I833 HydrophobicContact CG-CG1 4.16Å; I833-T837 HydrophobicContact CB-CG2 4.24Å; I833-T837 HydrophobicContact CD1-CG2 4.1Å; I833-T837 PolarHBondContact N-O 2.85Å; I833-V839 HydrophobicContact CD1-CG2 3.74Å; I833-V839 HydrophobicContact CG1-CG2 4.28Å
834	N	82.1	Confident	90.5	Very high	68 Å²	68	54.8 Å²	54.8	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	-171.1	177.1	58.3	44.3	0	0	0	110.8	T836 T837	N834-T836 PolarHBondContact O-N 2.88Å; N834-T836 WeakPolarHBondContact OD1-CA 3.48Å; N834-T836 PolarHBondContact OD1-N 2.99Å; N834-T836 PolarHBondContact OD1-OG1 2.94Å; N834-T837 PolarHBondContact N-O 2.92Å; N834-T837 VanDerWaalsContact OD1-CB 3.24Å; N834-T837 WeakPolarHBondContact OD1-CB 3.29Å; N834-T837 PolarHBondContact OD1-N 2.92Å; N834-T837 PolarHBondContact OD1-OG1 2.87Å; N834-T837 VanDerWaalsContact OD1-OG1 3.06Å
835	S	84.3	Confident	90.4	Very high	28 Å²	28	55.7 Å²	55.7	20%	0.196	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.8	179.1	56.4	0	0	0	0	115.3	P895 T922	S835-P895 WeakPolarHBondContact O-CA 3.49Å; S835-T922 WeakPolarHBondContact O-CB 3.36Å
836	T	87.2	Confident	90.3	Very high	46 Å²	46	53.9 Å²	53.9	28%	0.282	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-0.5	-178.3	69.5	0	0	0	0	113.9	N834 S891 G892 L893 P895	N834-T836 PolarHBondContact O-N 2.88Å; N834-T836 WeakPolarHBondContact OD1-CA 3.48Å; N834-T836 PolarHBondContact OD1-N 2.99Å; N834-T836 PolarHBondContact OD1-OG1 2.94Å; T836-S891 CarbonylContact O-C 3.54Å; T836-G892 PolarHBondContact O-N 2.84Å; T836-G892 VanDerWaalsContact O-N 3.11Å; T836-L893 WeakPolarHBondContact CA-O 3.4Å; T836-L893 WeakPolarHBondContact CB-O 3.33Å; T836-L893 VanDerWaalsContact CG2-O 3.3Å; T836-L893 WeakPolarHBondContact CG2-O 3.28Å; T836-L893 WeakPolarHBondContact O-CB 3.39Å; T836-L893 PolarHBondContact O-N 3.49Å; T836-P895 HydrophobicContact CG2-CG 3.99Å
837	T	88.7	Confident	89.9	Confident	16 Å²	16	51.9 Å²	51.9	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	129	-168.4	-48.3	0	0	0	0	113.1	I833 N834 I890	I833-T837 HydrophobicContact CB-CG2 4.24Å; I833-T837 HydrophobicContact CD1-CG2 4.1Å; I833-T837 PolarHBondContact N-O 2.85Å; N834-T837 PolarHBondContact N-O 2.92Å; N834-T837 VanDerWaalsContact OD1-CB 3.24Å; N834-T837 WeakPolarHBondContact OD1-CB 3.29Å; N834-T837 PolarHBondContact OD1-N 2.92Å; N834-T837 PolarHBondContact OD1-OG1 2.87Å; N834-T837 VanDerWaalsContact OD1-OG1 3.06Å; T837-I890 VanDerWaalsContact CA-O 3.27Å; T837-I890 WeakPolarHBondContact CA-O 3.48Å
838	V	92	Very high	89.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161	176.1	-55.8	0	0	0	0	111.6	I829 E831 V832 I890 L893 F920	I829-V838 HydrophobicContact CD1-CG2 3.96Å; I829-V838 HydrophobicContact CG2-CB 4.16Å; E831-V838 CarbonylContact O-C 3.48Å; E831-V838 WeakPolarHBondContact O-CA 3.46Å; V832-V838 HydrophobicContact CB-CG1 4.45Å; V832-V838 HydrophobicContact CG1-CG1 4.25Å; V832-V838 HydrophobicContact CG2-CG1 4.08Å; V838-I890 HydrophobicContact CG2-CB 4.07Å; V838-I890 HydrophobicContact CG2-CD1 4.25Å; V838-I890 HydrophobicContact CG2-CG1 4.48Å; V838-I890 PolarHBondContact N-O 3.24Å; V838-I890 PolarHBondContact O-N 3.06Å; V838-L893 HydrophobicContact CG1-CD1 4.38Å; V838-L893 HydrophobicContact CG2-CD1 3.99Å; V838-F920 HydrophobicContact CB-CE2 4.39Å; V838-F920 HydrophobicContact CG1-CD2 4.2Å; V838-F920 HydrophobicContact CG1-CE2 3.85Å; V838-F920 HydrophobicContact CG2-CD2 4.39Å; V838-F920 HydrophobicContact CG2-CE2 3.65Å; V838-F920 HydrophobicContact CG2-CZ 3.75Å
839	V	93.8	Very high	89.4	Confident	21 Å²	21	53.2 Å²	53.2	13%	0.127	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.5	173.1	-172.8	0	0	0	0	109.8	I829 S830 E831 I833 A888	I829-V839 CarbonylContact C-O 3.55Å; I829-V839 VanDerWaalsContact CA-O 3.31Å; I829-V839 WeakPolarHBondContact CA-O 3.45Å; I829-V839 WeakPolarHBondContact CG2-O 3.35Å; S830-V839 PolarHBondContact N-O 2.77Å; S830-V839 WeakPolarHBondContact OG-CG1 3.43Å; S830-V839 PolarHBondContact OG-O 3.01Å; E831-V839 HydrophobicContact CB-CB 4.08Å; E831-V839 HydrophobicContact CB-CG2 4.03Å; E831-V839 PolarHBondContact O-N 3.18Å; I833-V839 HydrophobicContact CD1-CG2 3.74Å; I833-V839 HydrophobicContact CG1-CG2 4.28Å; V839-A888 WeakPolarHBondContact CA-O 3.24Å
840	V	94.3	Very high	89.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.3	173.3	67.5	0	0	0	0	110.4	V827 K828 I829 W842 I859 S887 A888 I890 L901 L918	V827-V840 HydrophobicContact CG1-CG2 3.75Å; K828-V840 CarbonylContact O-C 3.53Å; K828-V840 VanDerWaalsContact O-CA 3.31Å; K828-V840 WeakPolarHBondContact O-CA 3.36Å; K828-V840 WeakPolarHBondContact O-CG2 3.49Å; I829-V840 HydrophobicContact CD1-CB 4.24Å; I829-V840 HydrophobicContact CD1-CG2 4.47Å; V840-W842 HydrophobicContact CG1-CE3 4.3Å; V840-W842 HydrophobicContact CG1-CZ3 4Å; V840-I859 HydrophobicContact CG1-CG1 4.44Å; V840-I859 HydrophobicContact CG1-CG2 4.31Å; V840-S887 CarbonylContact O-C 3.49Å; V840-S887 WeakPolarHBondContact O-CA 3.29Å; V840-S887 WeakPolarHBondContact O-CB 3.46Å; V840-A888 HydrophobicContact CG1-CB 4.29Å; V840-A888 PolarHBondContact N-O 3.01Å; V840-A888 PolarHBondContact O-N 2.83Å; V840-I890 HydrophobicContact CB-CD1 4.04Å; V840-I890 HydrophobicContact CG1-CD1 3.73Å; V840-I890 HydrophobicContact CG1-CG1 4.2Å; V840-L901 HydrophobicContact CB-CD1 4.07Å; V840-L901 HydrophobicContact CG1-CD1 4.26Å; V840-L901 HydrophobicContact CG2-CD1 3.91Å; V840-L901 HydrophobicContact CG2-CD2 3.91Å; V840-L918 HydrophobicContact CG2-CD2 4.28Å
841	E	95.4	Very high	89.2	Confident	71 Å²	71	52.8 Å²	52.8	33%	0.332	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.2	-178.4	-170	-167.3	137.1	0	0	110.1	V827 K828 S830 R886	V827-E841 WeakPolarHBondContact CA-O 3.2Å; K828-E841 WeakPolarHBondContact CE-OE1 3.24Å; K828-E841 WeakPolarHBondContact CE-OE2 3.38Å; K828-E841 HydrophobicContact CG-CB 4.21Å; K828-E841 PolarHBondContact N-O 3.06Å; K828-E841 VanDerWaalsContact N-O 3.08Å; K828-E841 IonicContact NZ-OE1 3.68Å; K828-E841 PolarHBondContact NZ-OE1 2.98Å; K828-E841 IonicContact NZ-OE2 3.89Å; K828-E841 PolarHBondContact NZ-OE2 3.36Å; K828-E841 PolarHBondContact O-N 2.62Å; S830-E841 WeakPolarHBondContact CB-OE2 3.36Å; E841-R886 CarbonylContact C-O 3.59Å; E841-R886 WeakPolarHBondContact CA-O 3.5Å
842	W	94.9	Very high	89.2	Confident	5 Å²	5	48 Å²	48	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154.9	-177.8	65.1	85.2	0	0	0	114.1	P824 V827 V840 Y857 I859 A881 D885 R886 S887 A888 V903	P824-W842 HydrophobicContact CB-CB 4.16Å; P824-W842 HydrophobicContact CB-CG 4.2Å; V827-W842 HydrophobicContact CG2-CB 3.98Å; V840-W842 HydrophobicContact CG1-CE3 4.3Å; V840-W842 HydrophobicContact CG1-CZ3 4Å; W842-Y857 AromaticContact CE2-CD2 3.9Å; W842-Y857 AromaticContact CZ2-CD2 3.82Å; W842-Y857 HydrophobicContact CZ2-CD2 3.82Å; W842-Y857 HydrophobicContact CZ2-CG 4.09Å; W842-Y857 AromaticContact NE1-CD1 3.8Å; W842-Y857 AromaticContact NE1-CD2 3.42Å; W842-Y857 AromaticContact NE1-CE1 3.9Å; W842-Y857 AromaticContact NE1-CE2 3.53Å; W842-Y857 AromaticContact NE1-CG 3.57Å; W842-Y857 AromaticContact NE1-CZ 3.78Å; W842-I859 HydrophobicContact CH2-CD1 3.77Å; W842-I859 HydrophobicContact CH2-CG1 4.23Å; W842-I859 HydrophobicContact CZ3-CD1 4.01Å; W842-I859 HydrophobicContact CZ3-CG1 3.94Å; W842-A881 HydrophobicContact CH2-CB 3.67Å; W842-A881 HydrophobicContact CZ2-CB 3.78Å; W842-D885 HydrophobicContact CZ2-CB 4.36Å; W842-R886 PolarHBondContact N-O 3.43Å; W842-S887 VanDerWaalsContact CH2-C 3.46Å; W842-S887 VanDerWaalsContact CZ3-C 3.46Å; W842-S887 VanDerWaalsContact CZ3-CA 3.49Å; W842-A888 HydrophobicContact CH2-CB 3.94Å; W842-A888 HydrophobicContact CZ3-CB 3.89Å; W842-V903 HydrophobicContact CD2-CG1 4.27Å; W842-V903 HydrophobicContact CE3-CG2 4.32Å
843	D	93.3	Very high	89.4	Confident	68 Å²	68	50 Å²	50	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	145.1	173.6	-72.6	-12.8	0	0	0	112.1	K825 N826	K825-D843 HydrophobicContact CB-CB 4.22Å; K825-D843 PolarHBondContact O-N 2.79Å; N826-D843 PolarHBondContact ND2-OD2 2.77Å
844	P	92.1	Very high	89.8	Confident	71 Å²	71	48.2 Å²	48.2	46%	0.461	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-69.8	153.6	177.2	29.8	-34.5	0	0	0	113.3	Y857	P844-Y857 WeakPolarHBondContact CA-OH 3.31Å
845	V	92.5	Very high	90.2	Very high	22 Å²	22	48 Å²	48	13%	0.133	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-91.8	160.3	173.6	-62.8	0	0	0	0	112.6	P824 I850 F854 Y857 A905	P824-V845 HydrophobicContact CG-CG1 4.15Å; V845-I850 HydrophobicContact CG2-CD1 3.83Å; V845-F854 HydrophobicContact CG2-CE1 4.05Å; V845-F854 HydrophobicContact CG2-CE2 4.33Å; V845-F854 HydrophobicContact CG2-CZ 3.57Å; V845-Y857 HydrophobicContact CG1-CE1 4.3Å; V845-Y857 HydrophobicContact CG2-CE1 3.98Å; V845-Y857 PolarHBondContact N-OH 3.48Å; V845-A905 HydrophobicContact CG1-CB 4.33Å; V845-A905 HydrophobicContact CG2-CB 3.81Å
846	D	89	Confident	90.6	Very high	105 Å²	105	46.7 Å²	46.7	56%	0.561	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-73.9	137.1	177.6	-166	-50.9	0	0	0	111.5	D848 S849	D846-D848 PolarHBondContact O-N 3.02Å; D846-D848 PolarHBondContact OD1-N 2.85Å; D846-S849 WeakPolarHBondContact O-CB 3.33Å; D846-S849 PolarHBondContact O-N 2.7Å; D846-S849 PolarHBondContact O-OG 3Å
847	A	83.6	Confident	91	Very high	74 Å²	74	44.5 Å²	44.5	61%	0.612	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-63.7	-38.3	-179.3	0	0	0	0	0	113	S849 I850	A847-S849 PolarHBondContact O-N 2.92Å; A847-S849 VanDerWaalsContact O-N 3.14Å; A847-I850 WeakPolarHBondContact O-CB 3.2Å; A847-I850 WeakPolarHBondContact O-CG1 3.25Å; A847-I850 PolarHBondContact O-N 3.47Å; A847-I850 VanDerWaalsContact O-N 3.1Å
848	D	85.5	Confident	91.2	Very high	133 Å²	133	45.9 Å²	45.9	71%	0.711	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-67.2	-16.2	179.1	-85.5	-10.9	0	0	0	112.1	D846 I850 K851	D846-D848 PolarHBondContact O-N 3.02Å; D846-D848 PolarHBondContact OD1-N 2.85Å; D848-I850 VanDerWaalsContact C-N 3.34Å; D848-K851 VanDerWaalsContact O-CE 3.31Å; D848-K851 WeakPolarHBondContact O-CE 3.28Å; D848-K851 PolarHBondContact O-NZ 2.74Å
849	S	90.7	Very high	91.4	Very high	12 Å²	12	45.9 Å²	45.9	8%	0.084	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-76.7	-16.5	175.5	81.1	0	0	0	0	113.8	P820 T821 A822 D846 A847	P820-S849 CarbonylContact C-O 3.52Å; P820-S849 WeakPolarHBondContact CA-O 3.48Å; T821-S849 PolarHBondContact N-O 2.93Å; T821-S849 PolarHBondContact OG1-O 2.91Å; A822-S849 WeakPolarHBondContact CB-OG 3.26Å; D846-S849 WeakPolarHBondContact O-CB 3.33Å; D846-S849 PolarHBondContact O-N 2.7Å; D846-S849 PolarHBondContact O-OG 3Å; A847-S849 PolarHBondContact O-N 2.92Å; A847-S849 VanDerWaalsContact O-N 3.14Å
850	I	90.7	Very high	91.3	Very high	2 Å²	2	45 Å²	45	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-78.3	-26.3	-168	-57.1	-62.3	0	0	0	113.7	P820 V845 A847 D848 G852 F854 A905 N907	P820-I850 HydrophobicContact CB-CD1 4.41Å; P820-I850 HydrophobicContact CG-CG2 4.42Å; V845-I850 HydrophobicContact CG2-CD1 3.83Å; A847-I850 WeakPolarHBondContact O-CB 3.2Å; A847-I850 WeakPolarHBondContact O-CG1 3.25Å; A847-I850 PolarHBondContact O-N 3.47Å; A847-I850 VanDerWaalsContact O-N 3.1Å; D848-I850 VanDerWaalsContact C-N 3.34Å; I850-G852 PolarHBondContact O-N 2.79Å; I850-F854 HydrophobicContact CB-CB 4.42Å; I850-F854 HydrophobicContact CD1-CD1 4.14Å; I850-F854 HydrophobicContact CD1-CD2 3.68Å; I850-F854 HydrophobicContact CD1-CE1 4.16Å; I850-F854 HydrophobicContact CD1-CE2 3.72Å; I850-F854 HydrophobicContact CD1-CG 3.92Å; I850-F854 HydrophobicContact CD1-CZ 3.97Å; I850-F854 HydrophobicContact CG1-CB 4.11Å; I850-F854 HydrophobicContact CG1-CD1 3.94Å; I850-F854 HydrophobicContact CG1-CD2 4.07Å; I850-F854 HydrophobicContact CG1-CE1 4.37Å; I850-F854 HydrophobicContact CG1-CE2 4.5Å; I850-F854 HydrophobicContact CG1-CG 3.79Å; I850-F854 HydrophobicContact CG2-CB 3.83Å; I850-F854 HydrophobicContact CG2-CD2 4.22Å; I850-F854 HydrophobicContact CG2-CG 4.16Å; I850-A905 HydrophobicContact CD1-CB 4.34Å; I850-N907 HydrophobicContact CG2-CB 3.74Å; I850-N907 PolarHBondContact O-ND2 2.84Å
851	K	88.1	Confident	91.2	Very high	92 Å²	92	45.1 Å²	45.1	40%	0.4	25%	0.245	S	C	.	.	S	Bend	trans	53.6	24.6	178.4	-53	-49.9	-178.5	-160.3	0	115.6	D818 T821 D848	D818-K851 HydrophobicContact CB-CB 4.04Å; D818-K851 PolarHBondContact N-O 2.82Å; T821-K851 HydrophobicContact CG2-CG 4.17Å; D848-K851 VanDerWaalsContact O-CE 3.31Å; D848-K851 WeakPolarHBondContact O-CE 3.28Å; D848-K851 PolarHBondContact O-NZ 2.74Å
852	G	89	Confident	90.8	Very high	15 Å²	15	44.4 Å²	44.4	16%	0.155	24%	0.239	C	C	.	.	S	Bend	trans	179.2	-168.3	-174.1	0	0	0	0	0	111.6	E817 I850 F854	E817-G852 WeakPolarHBondContact OE2-CA 3.01Å; I850-G852 PolarHBondContact O-N 2.79Å; G852-F854 PolarHBondContact O-N 2.78Å
853	H	88.2	Confident	90.4	Very high	116 Å²	116	46.1 Å²	46.1	54%	0.537	25%	0.251	S	S	.	.			trans	-81.9	109.6	-178.8	-179.9	-79.3	0	0	0	111.6	F788 E817 I855 N907 S908	F788-H853 HydrophobicContact CZ-CB 4.41Å; E817-H853 PolarHBondContact OE2-N 2.9Å; H853-I855 PolarHBondContact O-N 2.95Å; H853-N907 CarbonylContact O-C 3.55Å; H853-N907 WeakPolarHBondContact O-CA 3.48Å; H853-N907 WeakPolarHBondContact O-CB 3.49Å; H853-S908 PolarHBondContact O-N 2.72Å
854	F	90.2	Very high	89.7	Confident	47 Å²	47	46.1 Å²	46.1	21%	0.206	25%	0.25	C	S	.	.			trans	-67.9	118	-172.2	-167.1	-169.6	0	0	0	113.1	V845 I850 G852 G856 Y857 H883 A905	V845-F854 HydrophobicContact CG2-CE1 4.05Å; V845-F854 HydrophobicContact CG2-CE2 4.33Å; V845-F854 HydrophobicContact CG2-CZ 3.57Å; I850-F854 HydrophobicContact CB-CB 4.42Å; I850-F854 HydrophobicContact CD1-CD1 4.14Å; I850-F854 HydrophobicContact CD1-CD2 3.68Å; I850-F854 HydrophobicContact CD1-CE1 4.16Å; I850-F854 HydrophobicContact CD1-CE2 3.72Å; I850-F854 HydrophobicContact CD1-CG 3.92Å; I850-F854 HydrophobicContact CD1-CZ 3.97Å; I850-F854 HydrophobicContact CG1-CB 4.11Å; I850-F854 HydrophobicContact CG1-CD1 3.94Å; I850-F854 HydrophobicContact CG1-CD2 4.07Å; I850-F854 HydrophobicContact CG1-CE1 4.37Å; I850-F854 HydrophobicContact CG1-CE2 4.5Å; I850-F854 HydrophobicContact CG1-CG 3.79Å; I850-F854 HydrophobicContact CG2-CB 3.83Å; I850-F854 HydrophobicContact CG2-CD2 4.22Å; I850-F854 HydrophobicContact CG2-CG 4.16Å; G852-F854 PolarHBondContact O-N 2.78Å; F854-G856 WeakPolarHBondContact CE2-O 3.16Å; F854-Y857 HydrophobicContact CZ-CE1 4.18Å; F854-Y857 HydrophobicContact CZ-CE2 4.41Å; F854-Y857 AromaticContact CZ-CZ 3.87Å; F854-H883 HydrophobicContact CD1-CB 3.76Å; F854-H883 HydrophobicContact CD2-CB 4.12Å; F854-H883 HydrophobicContact CE1-CB 3.69Å; F854-H883 HydrophobicContact CE2-CB 4.03Å; F854-H883 HydrophobicContact CG-CB 3.98Å; F854-H883 HydrophobicContact CZ-CB 3.82Å; F854-A905 HydrophobicContact CE2-CB 4.12Å
855	I	90.7	Very high	88.2	Confident	64 Å²	64	44.5 Å²	44.5	33%	0.328	25%	0.246	S	C	.	.			trans	-94.9	-55.7	177.1	-58.5	-176.1	0	0	0	110.9	H853 H883 F906	H853-I855 PolarHBondContact O-N 2.95Å; I855-H883 PolarHBondContact O-N 2.99Å; I855-H883 PolarHBondContact O-ND1 2.8Å; I855-H883 VanDerWaalsContact O-ND1 3.16Å; I855-F906 HydrophobicContact CB-CD2 4.06Å; I855-F906 HydrophobicContact CB-CE2 3.63Å; I855-F906 HydrophobicContact CB-CZ 3.95Å; I855-F906 HydrophobicContact CD1-CD2 4.44Å; I855-F906 HydrophobicContact CD1-CE2 4.07Å; I855-F906 HydrophobicContact CG1-CE2 4.38Å; I855-F906 HydrophobicContact CG2-CD2 4.45Å; I855-F906 HydrophobicContact CG2-CE1 4.47Å; I855-F906 HydrophobicContact CG2-CE2 3.54Å; I855-F906 HydrophobicContact CG2-CZ 3.55Å; I855-F906 PolarHBondContact N-O 3.46Å; I855-F906 VanDerWaalsContact N-O 3.08Å
856	G	92.5	Very high	86.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-143.3	-179.3	0	0	0	0	0	115.6	F854 A881 H883 A905 F906	F854-G856 WeakPolarHBondContact CE2-O 3.16Å; G856-A881 CarbonylContact C-O 3.2Å; G856-A881 WeakPolarHBondContact CA-O 3.26Å; G856-H883 VanDerWaalsContact CA-N 3.31Å; G856-A905 CarbonylContact O-C 3.56Å; G856-A905 WeakPolarHBondContact O-CA 3.22Å; G856-F906 VanDerWaalsContact C-CD1 3.43Å; G856-F906 VanDerWaalsContact C-CE1 3.44Å; G856-F906 PolarHBondContact N-O 3.15Å; G856-F906 WeakPolarHBondContact O-CD1 3.48Å; G856-F906 PolarHBondContact O-N 3.25Å
857	Y	95.5	Very high	84.3	Confident	1 Å²	1	58 Å²	58	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.7	-174	-54.4	-79.5	0	0	0	112.4	P824 W842 P844 V845 F854 I880 A881 F882 D885 L904 A905	P824-Y857 HydrophobicContact CG-CD1 3.7Å; P824-Y857 HydrophobicContact CG-CE1 3.86Å; W842-Y857 AromaticContact CE2-CD2 3.9Å; W842-Y857 AromaticContact CZ2-CD2 3.82Å; W842-Y857 HydrophobicContact CZ2-CD2 3.82Å; W842-Y857 HydrophobicContact CZ2-CG 4.09Å; W842-Y857 AromaticContact NE1-CD1 3.8Å; W842-Y857 AromaticContact NE1-CD2 3.42Å; W842-Y857 AromaticContact NE1-CE1 3.9Å; W842-Y857 AromaticContact NE1-CE2 3.53Å; W842-Y857 AromaticContact NE1-CG 3.57Å; W842-Y857 AromaticContact NE1-CZ 3.78Å; P844-Y857 WeakPolarHBondContact CA-OH 3.31Å; V845-Y857 HydrophobicContact CG1-CE1 4.3Å; V845-Y857 HydrophobicContact CG2-CE1 3.98Å; V845-Y857 PolarHBondContact N-OH 3.48Å; F854-Y857 HydrophobicContact CZ-CE1 4.18Å; F854-Y857 HydrophobicContact CZ-CE2 4.41Å; F854-Y857 AromaticContact CZ-CZ 3.87Å; Y857-I880 WeakPolarHBondContact O-CA 3.15Å; Y857-A881 PolarHBondContact N-O 2.8Å; Y857-A881 PolarHBondContact O-N 2.91Å; Y857-F882 WeakPolarHBondContact CD2-O 3.44Å; Y857-D885 WeakPolarHBondContact CE2-O 3.31Å; Y857-L904 CarbonylContact C-O 3.55Å; Y857-L904 WeakPolarHBondContact CA-O 3.47Å; Y857-A905 HydrophobicContact CD1-CB 3.96Å; Y857-A905 HydrophobicContact CE1-CB 4Å
858	K	94.2	Very high	82.6	Confident	45 Å²	45	58.3 Å²	58.3	20%	0.196	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	111.7	173	-78.3	162.2	174.9	175.3	0	109.4	I880 V903 L904 F906 D911	K858-I880 HydrophobicContact CG-CG1 4.27Å; K858-V903 WeakPolarHBondContact O-CA 3.48Å; K858-L904 HydrophobicContact CB-CD1 3.93Å; K858-L904 HydrophobicContact CB-CG 4.03Å; K858-L904 HydrophobicContact CD-CD1 4.06Å; K858-L904 PolarHBondContact N-O 3.4Å; K858-L904 PolarHBondContact O-N 3.08Å; K858-F906 HydrophobicContact CD-CB 4.42Å; K858-F906 HydrophobicContact CD-CD1 3.81Å; K858-F906 HydrophobicContact CD-CE1 4.17Å; K858-F906 HydrophobicContact CD-CG 4.03Å; K858-F906 HydrophobicContact CG-CD1 3.75Å; K858-F906 HydrophobicContact CG-CE1 3.79Å; K858-F906 HydrophobicContact CG-CG 4.47Å; K858-D911 WeakPolarHBondContact CD-OD1 3.03Å; K858-D911 WeakPolarHBondContact CD-OD2 3.24Å; K858-D911 WeakPolarHBondContact CE-OD1 3.08Å; K858-D911 IonicContact NZ-OD1 3.44Å; K858-D911 PolarHBondContact NZ-OD1 2.65Å; K858-D911 IonicContact NZ-OD2 3.67Å; K858-D911 PolarHBondContact NZ-OD2 2.86Å
859	I	94.7	Very high	80.6	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128	171.5	-53.1	78.3	0	0	0	107.1	V840 W842 V861 Q878 I879 A881 A888 I890 L901 V903	V840-I859 HydrophobicContact CG1-CG1 4.44Å; V840-I859 HydrophobicContact CG1-CG2 4.31Å; W842-I859 HydrophobicContact CH2-CD1 3.77Å; W842-I859 HydrophobicContact CH2-CG1 4.23Å; W842-I859 HydrophobicContact CZ3-CD1 4.01Å; W842-I859 HydrophobicContact CZ3-CG1 3.94Å; I859-V861 HydrophobicContact CG2-CG2 4.06Å; I859-Q878 VanDerWaalsContact O-CA 3.31Å; I859-Q878 WeakPolarHBondContact O-CA 3.17Å; I859-I879 HydrophobicContact CB-CB 4.31Å; I859-I879 HydrophobicContact CD1-CB 4.48Å; I859-I879 HydrophobicContact CD1-CG2 4.37Å; I859-I879 WeakPolarHBondContact CD1-O 3.38Å; I859-I879 PolarHBondContact N-O 2.98Å; I859-I879 PolarHBondContact O-N 2.94Å; I859-A881 HydrophobicContact CD1-CB 4Å; I859-A888 HydrophobicContact CD1-CB 4.06Å; I859-A888 HydrophobicContact CG1-CB 4.35Å; I859-I890 HydrophobicContact CG2-CD1 4.31Å; I859-L901 HydrophobicContact CG2-CD1 3.98Å; I859-L901 HydrophobicContact CG2-CD2 4.36Å; I859-L901 HydrophobicContact CG2-CG 4.04Å; I859-V903 HydrophobicContact CG1-CG1 4.14Å; I859-V903 HydrophobicContact CG1-CG2 4.09Å; I859-V903 HydrophobicContact CG2-CG2 4.35Å
860	S	92.7	Very high	78.3	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.4	175.8	-64.2	0	0	0	0	110.5	W862 Q878 L901 T902	S860-W862 VanDerWaalsContact CB-CH2 3.49Å; S860-W862 VanDerWaalsContact O-CZ3 3.26Å; S860-W862 WeakPolarHBondContact O-CZ3 3.43Å; S860-Q878 PolarHBondContact OG-NE2 3.14Å; S860-Q878 VanDerWaalsContact OG-NE2 3.08Å; S860-L901 WeakPolarHBondContact O-CA 3.24Å; S860-T902 PolarHBondContact N-O 2.9Å; S860-T902 PolarHBondContact O-N 3.23Å
861	V	91.9	Very high	75.8	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.012	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.7	-172.9	-165	0	0	0	0	110.5	I859 P876 L877 I890 L893 Y899 K900 L901 F920	I859-V861 HydrophobicContact CG2-CG2 4.06Å; V861-P876 CarbonylContact O-C 3.57Å; V861-P876 WeakPolarHBondContact O-CA 3.37Å; V861-P876 WeakPolarHBondContact O-CB 3.48Å; V861-L877 HydrophobicContact CB-CB 4.36Å; V861-L877 PolarHBondContact N-O 2.97Å; V861-L877 PolarHBondContact O-N 2.84Å; V861-I890 HydrophobicContact CG2-CD1 4.01Å; V861-I890 HydrophobicContact CG2-CG2 4.05Å; V861-L893 HydrophobicContact CG1-CD2 4.42Å; V861-Y899 HydrophobicContact CG1-CD1 3.85Å; V861-Y899 HydrophobicContact CG1-CG 4.35Å; V861-K900 WeakPolarHBondContact CA-O 3.46Å; V861-L901 HydrophobicContact CG2-CD1 4Å; V861-L901 HydrophobicContact CG2-CG 4.19Å; V861-F920 HydrophobicContact CG1-CE1 4.34Å; V861-F920 HydrophobicContact CG1-CZ 4.41Å
862	W	87.8	Confident	73.5	Confident	56 Å²	56	71.4 Å²	71.4	21%	0.212	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.2	-179.4	-56.6	-100.8	0	0	0	111.6	S860 P876 Y899 K900 T902	S860-W862 VanDerWaalsContact CB-CH2 3.49Å; S860-W862 VanDerWaalsContact O-CZ3 3.26Å; S860-W862 WeakPolarHBondContact O-CZ3 3.43Å; W862-P876 HydrophobicContact CD2-CB 4Å; W862-P876 HydrophobicContact CG-CB 4.17Å; W862-P876 HydrophobicContact CZ2-CB 4.12Å; W862-P876 HydrophobicContact CZ2-CG 4.1Å; W862-Y899 WeakPolarHBondContact O-CA 3.25Å; W862-Y899 WeakPolarHBondContact O-CD1 3.19Å; W862-K900 HydrophobicContact CB-CG 3.95Å; W862-K900 HydrophobicContact CE3-CD 4.36Å; W862-K900 HydrophobicContact CE3-CG 4.08Å; W862-K900 PolarHBondContact N-O 3.3Å; W862-K900 PolarHBondContact O-N 2.87Å; W862-T902 WeakPolarHBondContact CH2-OG1 3.42Å; W862-T902 HydrophobicContact CZ3-CG2 4.17Å; W862-T902 WeakPolarHBondContact CZ3-OG1 3.22Å
863	P	84.8	Confident	71.5	Confident	40 Å²	40	79.5 Å²	79.5	26%	0.26	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.7	169.9	27.7	-32.4	0	0	0	110.8	G865 K874 Y899	P863-G865 PolarHBondContact O-N 2.89Å; P863-K874 HydrophobicContact CG-CD 3.92Å; P863-Y899 HydrophobicContact CB-CD1 4.09Å; P863-Y899 HydrophobicContact CB-CE1 3.57Å; P863-Y899 HydrophobicContact CG-CE1 4.27Å
864	I	79	Confident	69.9	Low	68 Å²	68	80.5 Å²	80.5	35%	0.349	41%	0.411	S	S	.	.			trans	-89.9	87.6	172.5	-50.9	-176.4	0	0	0	107.7	R866 T898 K900 Y919	I864-R866 PolarHBondContact O-N 2.83Å; I864-T898 WeakPolarHBondContact CB-O 3.26Å; I864-T898 HydrophobicContact CD1-CG2 3.92Å; I864-T898 PolarHBondContact N-O 2.88Å; I864-K900 HydrophobicContact CD1-CB 4.08Å; I864-K900 HydrophobicContact CD1-CG 4.46Å; I864-K900 HydrophobicContact CG1-CB 4.32Å; I864-K900 HydrophobicContact CG1-CG 4.24Å; I864-Y919 HydrophobicContact CD1-CD1 3.5Å; I864-Y919 HydrophobicContact CD1-CE1 3.59Å
865	G	60.9	Low	68.8	Low	37 Å²	37	87.3 Å²	87.3	38%	0.381	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-59.5	135.8	174.5	0	0	0	0	0	111.3	P863	P863-G865 PolarHBondContact O-N 2.89Å
866	R	53.3	Low	68.4	Low	208 Å²	208	85.8 Å²	85.8	79%	0.785	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-55	141.6	172.4	-62.8	-177.5	-174.2	174.4	4.3	110	I864 G868 A869	I864-R866 PolarHBondContact O-N 2.83Å; R866-G868 PolarHBondContact O-N 2.91Å; R866-A869 PolarHBondContact O-N 2.03Å
867	E	47	Very low	68	Low	204 Å²	204	89.2 Å²	89.2	95%	0.953	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	131.8	-177.2	-62.7	-174.9	123.9	0	0	111.3
868	G	46.9	Very low	67.5	Low	80 Å²	80	95 Å²	95	83%	0.825	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.2	-26.5	-173.5	0	0	0	0	0	114.2	R866 K870	R866-G868 PolarHBondContact O-N 2.91Å; G868-K870 PolarHBondContact O-N 3.22Å
869	A	42.9	Very low	67.3	Low	63 Å²	63	94.7 Å²	94.7	52%	0.521	48%	0.48	S	S	.	.	S	Bend	trans	-68.3	124.2	168.4	0	0	0	0	0	110.3	R866 Q871	R866-A869 PolarHBondContact O-N 2.03Å; A869-Q871 PolarHBondContact O-N 2.94Å
870	K	43.6	Very low	67.2	Low	166 Å²	166	99.9 Å²	99.9	72%	0.722	51%	0.507	S	S	*	.			trans	-61.2	108.5	178.5	-69.6	178.2	-179.4	172.8	0	109.9	G868 N872	G868-K870 PolarHBondContact O-N 3.22Å; K870-N872 PolarHBondContact O-N 2.79Å
871	Q	37.8	Very low	67.1	Low	169 Å²	169	100 Å²	100	79%	0.79	51%	0.508	S	S	*	.			trans	-72	55.5	-178.1	-67.3	-173	-7.8	0	0	113.6	A869 Q873	A869-Q871 PolarHBondContact O-N 2.94Å; Q871-Q873 VanDerWaalsContact C-N 3.27Å; Q871-Q873 PolarHBondContact O-N 2.81Å
872	N	40.9	Very low	67	Low	115 Å²	115	106.4 Å²	106.4	62%	0.615	54%	0.536	S	S	*	.			trans	-77.4	78.5	168.7	-76.6	-26.3	0	0	0	109.9	K870 K874	K870-N872 PolarHBondContact O-N 2.79Å; N872-K874 PolarHBondContact O-N 3.24Å
873	Q	46.3	Very low	66.9	Low	186 Å²	186	108.2 Å²	108.2	87%	0.869	55%	0.547	S	S	*	.			trans	37.2	59.2	153.7	-62.7	178	-29.2	0	0	116	Q871 K875	Q871-Q873 VanDerWaalsContact C-N 3.27Å; Q871-Q873 PolarHBondContact O-N 2.81Å; Q873-K875 PolarHBondContact O-N 2.95Å; Q873-K875 VanDerWaalsContact O-N 3.12Å
874	K	55.1	Low	67	Low	136 Å²	136	109.2 Å²	109.2	59%	0.591	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-56	119.6	152.6	-89.6	-168.7	175.3	-174.9	0	105.5	P863 N872 E894	P863-K874 HydrophobicContact CG-CD 3.92Å; N872-K874 PolarHBondContact O-N 3.24Å; K874-E894 IonicContact NZ-OE1 2.81Å; K874-E894 PolarHBondContact NZ-OE1 3.41Å
875	K	67.2	Low	67.6	Low	190 Å²	190	108.9 Å²	108.9	83%	0.826	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-53.7	144.8	169.5	-78.6	-171.8	173.6	-172.5	0	108.3	Q873	Q873-K875 PolarHBondContact O-N 2.95Å; Q873-K875 VanDerWaalsContact O-N 3.12Å
876	P	81.3	Confident	69	Low	32 Å²	32	112 Å²	112	21%	0.208	56%	0.557	C	S	.	*	P	Polyproline II helix	trans	-57	148	168.5	20.7	-27.2	0	0	0	110.2	V861 W862 Q878	V861-P876 CarbonylContact O-C 3.57Å; V861-P876 WeakPolarHBondContact O-CA 3.37Å; V861-P876 WeakPolarHBondContact O-CB 3.48Å; W862-P876 HydrophobicContact CD2-CB 4Å; W862-P876 HydrophobicContact CG-CB 4.17Å; W862-P876 HydrophobicContact CZ2-CB 4.12Å; W862-P876 HydrophobicContact CZ2-CG 4.1Å; P876-Q878 HydrophobicContact CB-CG 4.1Å; P876-Q878 HydrophobicContact CG-CG 3.81Å; P876-Q878 PolarHBondContact O-N 3.44Å
877	L	84	Confident	70.9	Confident	73 Å²	73	105.1 Å²	105.1	38%	0.382	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	117	154.6	175.1	62.6	0	0	0	106	V861 I879 I890 S891 L893	V861-L877 HydrophobicContact CB-CB 4.36Å; V861-L877 PolarHBondContact N-O 2.97Å; V861-L877 PolarHBondContact O-N 2.84Å; L877-I879 HydrophobicContact CD2-CD1 4.33Å; L877-I879 HydrophobicContact CG-CD1 4.36Å; L877-I879 HydrophobicContact CG-CG1 4.42Å; L877-I890 HydrophobicContact CD2-CG2 3.81Å; L877-S891 WeakPolarHBondContact CD2-O 3.37Å; L877-L893 HydrophobicContact CD2-CD2 4.45Å
878	Q	86	Confident	73.1	Confident	121 Å²	121	96 Å²	96	57%	0.565	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	130	177.5	-62.8	-164.6	-69.7	0	0	109.7	I859 S860 P876	I859-Q878 VanDerWaalsContact O-CA 3.31Å; I859-Q878 WeakPolarHBondContact O-CA 3.17Å; S860-Q878 PolarHBondContact OG-NE2 3.14Å; S860-Q878 VanDerWaalsContact OG-NE2 3.08Å; P876-Q878 HydrophobicContact CB-CG 4.1Å; P876-Q878 HydrophobicContact CG-CG 3.81Å; P876-Q878 PolarHBondContact O-N 3.44Å
879	I	90.1	Very high	75.2	Confident	39 Å²	39	95.2 Å²	95.2	20%	0.2	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.9	177.8	-63.1	159	0	0	0	106.6	I859 L877 A888 I890	I859-I879 HydrophobicContact CB-CB 4.31Å; I859-I879 HydrophobicContact CD1-CB 4.48Å; I859-I879 HydrophobicContact CD1-CG2 4.37Å; I859-I879 WeakPolarHBondContact CD1-O 3.38Å; I859-I879 PolarHBondContact N-O 2.98Å; I859-I879 PolarHBondContact O-N 2.94Å; L877-I879 HydrophobicContact CD2-CD1 4.33Å; L877-I879 HydrophobicContact CG-CD1 4.36Å; L877-I879 HydrophobicContact CG-CG1 4.42Å; I879-A888 HydrophobicContact CG2-CB 4.24Å; I879-I890 HydrophobicContact CD1-CB 4.06Å; I879-I890 HydrophobicContact CD1-CG1 3.89Å; I879-I890 HydrophobicContact CD1-CG2 3.88Å
880	I	91.6	Very high	77.5	Confident	110 Å²	110	92.2 Å²	92.2	56%	0.564	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.1	176.6	-60.6	177.4	0	0	0	107.9	Y857 K858 F906	Y857-I880 WeakPolarHBondContact O-CA 3.15Å; K858-I880 HydrophobicContact CG-CG1 4.27Å; I880-F906 HydrophobicContact CG2-CE1 4.07Å; I880-F906 HydrophobicContact CG2-CZ 3.95Å
881	A	89.7	Confident	79.7	Confident	4 Å²	4	87.8 Å²	87.8	3%	0.033	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.4	169.8	0	0	0	0	0	108.4	W842 G856 Y857 I859 D885	W842-A881 HydrophobicContact CH2-CB 3.67Å; W842-A881 HydrophobicContact CZ2-CB 3.78Å; G856-A881 CarbonylContact C-O 3.2Å; G856-A881 WeakPolarHBondContact CA-O 3.26Å; Y857-A881 PolarHBondContact N-O 2.8Å; Y857-A881 PolarHBondContact O-N 2.91Å; I859-A881 HydrophobicContact CD1-CB 4Å; A881-D885 WeakPolarHBondContact CA-OD2 3.48Å; A881-D885 HydrophobicContact CB-CB 3.84Å
882	F	89.8	Confident	81.9	Confident	137 Å²	137	83 Å²	83	60%	0.601	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	163.7	-178.6	-61.4	-81.5	0	0	0	111.3	Y857 A884 D885	Y857-F882 WeakPolarHBondContact CD2-O 3.44Å; F882-A884 PolarHBondContact O-N 2.85Å; F882-D885 PolarHBondContact N-OD2 2.7Å; F882-D885 WeakPolarHBondContact O-CB 3.45Å; F882-D885 PolarHBondContact O-N 3.16Å
883	H	86.7	Confident	84.2	Confident	95 Å²	95	77.9 Å²	77.9	44%	0.44	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.5	179.1	61.6	-92.1	0	0	0	113.9	F854 I855 G856 R886	F854-H883 HydrophobicContact CD1-CB 3.76Å; F854-H883 HydrophobicContact CD2-CB 4.12Å; F854-H883 HydrophobicContact CE1-CB 3.69Å; F854-H883 HydrophobicContact CE2-CB 4.03Å; F854-H883 HydrophobicContact CG-CB 3.98Å; F854-H883 HydrophobicContact CZ-CB 3.82Å; I855-H883 PolarHBondContact O-N 2.99Å; I855-H883 PolarHBondContact O-ND1 2.8Å; I855-H883 VanDerWaalsContact O-ND1 3.16Å; G856-H883 VanDerWaalsContact CA-N 3.31Å; H883-R886 PolarHBondContact O-NH1 2.92Å
884	A	87.8	Confident	85.9	Confident	61 Å²	61	73 Å²	73	50%	0.504	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-23.6	174.7	0	0	0	0	0	113.7	F882 R886	F882-A884 PolarHBondContact O-N 2.85Å; A884-R886 VanDerWaalsContact C-NH1 3.28Å; A884-R886 VanDerWaalsContact O-CZ 3.25Å; A884-R886 PolarHBondContact O-NH1 2.82Å; A884-R886 VanDerWaalsContact O-NH1 3.1Å
885	D	90	Very high	87.3	Confident	60 Å²	60	67.6 Å²	67.6	32%	0.321	37%	0.372	S	S	.	.			trans	-77.9	153.5	-172.1	-63.2	-28.8	0	0	0	112.9	W842 Y857 A881 F882	W842-D885 HydrophobicContact CZ2-CB 4.36Å; Y857-D885 WeakPolarHBondContact CE2-O 3.31Å; A881-D885 WeakPolarHBondContact CA-OD2 3.48Å; A881-D885 HydrophobicContact CB-CB 3.84Å; F882-D885 PolarHBondContact N-OD2 2.7Å; F882-D885 WeakPolarHBondContact O-CB 3.45Å; F882-D885 PolarHBondContact O-N 3.16Å
886	R	90.6	Very high	88.1	Confident	104 Å²	104	62.2 Å²	62.2	39%	0.392	35%	0.351	S	S	.	.			trans	-128	-3.1	179.9	-52.8	-64	171.7	-108	-1.9	113.3	E841 W842 H883 A884	E841-R886 CarbonylContact C-O 3.59Å; E841-R886 WeakPolarHBondContact CA-O 3.5Å; W842-R886 PolarHBondContact N-O 3.43Å; H883-R886 PolarHBondContact O-NH1 2.92Å; A884-R886 VanDerWaalsContact C-NH1 3.28Å; A884-R886 VanDerWaalsContact O-CZ 3.25Å; A884-R886 PolarHBondContact O-NH1 2.82Å; A884-R886 VanDerWaalsContact O-NH1 3.1Å
887	S	93.7	Very high	88.1	Confident	63 Å²	63	62.3 Å²	62.3	44%	0.441	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	153.8	-175.9	55.9	0	0	0	0	111.5	V840 W842	V840-S887 CarbonylContact O-C 3.49Å; V840-S887 WeakPolarHBondContact O-CA 3.29Å; V840-S887 WeakPolarHBondContact O-CB 3.46Å; W842-S887 VanDerWaalsContact CH2-C 3.46Å; W842-S887 VanDerWaalsContact CZ3-C 3.46Å; W842-S887 VanDerWaalsContact CZ3-CA 3.49Å
888	A	92.3	Very high	88.3	Confident	12 Å²	12	61.3 Å²	61.3	10%	0.099	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.3	174.4	0	0	0	0	0	111.4	V839 V840 W842 I859 I879	V839-A888 WeakPolarHBondContact CA-O 3.24Å; V840-A888 HydrophobicContact CG1-CB 4.29Å; V840-A888 PolarHBondContact N-O 3.01Å; V840-A888 PolarHBondContact O-N 2.83Å; W842-A888 HydrophobicContact CH2-CB 3.94Å; W842-A888 HydrophobicContact CZ3-CB 3.89Å; I859-A888 HydrophobicContact CD1-CB 4.06Å; I859-A888 HydrophobicContact CG1-CB 4.35Å; I879-A888 HydrophobicContact CG2-CB 4.24Å
889	S	92	Very high	88.5	Confident	63 Å²	63	56 Å²	56	44%	0.441	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	138.8	169.9	-172.8	0	0	0	0	110.4
890	I	91.6	Very high	88.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	96.6	-173.3	-47.6	179.4	0	0	0	107.7	T837 V838 V840 I859 V861 L877 I879 L893 L901	T837-I890 VanDerWaalsContact CA-O 3.27Å; T837-I890 WeakPolarHBondContact CA-O 3.48Å; V838-I890 HydrophobicContact CG2-CB 4.07Å; V838-I890 HydrophobicContact CG2-CD1 4.25Å; V838-I890 HydrophobicContact CG2-CG1 4.48Å; V838-I890 PolarHBondContact N-O 3.24Å; V838-I890 PolarHBondContact O-N 3.06Å; V840-I890 HydrophobicContact CB-CD1 4.04Å; V840-I890 HydrophobicContact CG1-CD1 3.73Å; V840-I890 HydrophobicContact CG1-CG1 4.2Å; I859-I890 HydrophobicContact CG2-CD1 4.31Å; V861-I890 HydrophobicContact CG2-CD1 4.01Å; V861-I890 HydrophobicContact CG2-CG2 4.05Å; L877-I890 HydrophobicContact CD2-CG2 3.81Å; I879-I890 HydrophobicContact CD1-CB 4.06Å; I879-I890 HydrophobicContact CD1-CG1 3.89Å; I879-I890 HydrophobicContact CD1-CG2 3.88Å; I890-L893 HydrophobicContact CG2-CD1 4.29Å; I890-L893 HydrophobicContact CG2-CD2 4.04Å; I890-L893 HydrophobicContact CG2-CG 4.35Å; I890-L901 HydrophobicContact CD1-CD1 3.31Å
891	S	88.5	Confident	88.7	Confident	73 Å²	73	52.3 Å²	52.3	51%	0.51	30%	0.303	S	S	.	.			trans	-99.9	170	177.7	59	0	0	0	0	112.2	T836 L877	T836-S891 CarbonylContact O-C 3.54Å; L877-S891 WeakPolarHBondContact CD2-O 3.37Å
892	G	84.6	Confident	88.9	Confident	70 Å²	70	52.2 Å²	52.2	72%	0.722	30%	0.302	S	S	*	.			trans	80.1	21.8	177.4	0	0	0	0	0	114.6	T836	T836-G892 PolarHBondContact O-N 2.84Å; T836-G892 VanDerWaalsContact O-N 3.11Å
893	L	88.6	Confident	89.2	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.037	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-80.5	151.3	174.4	-53.6	176.3	0	0	0	111.3	T836 V838 V861 L877 I890 Y899 F920 T922	T836-L893 WeakPolarHBondContact CA-O 3.4Å; T836-L893 WeakPolarHBondContact CB-O 3.33Å; T836-L893 VanDerWaalsContact CG2-O 3.3Å; T836-L893 WeakPolarHBondContact CG2-O 3.28Å; T836-L893 WeakPolarHBondContact O-CB 3.39Å; T836-L893 PolarHBondContact O-N 3.49Å; V838-L893 HydrophobicContact CG1-CD1 4.38Å; V838-L893 HydrophobicContact CG2-CD1 3.99Å; V861-L893 HydrophobicContact CG1-CD2 4.42Å; L877-L893 HydrophobicContact CD2-CD2 4.45Å; I890-L893 HydrophobicContact CG2-CD1 4.29Å; I890-L893 HydrophobicContact CG2-CD2 4.04Å; I890-L893 HydrophobicContact CG2-CG 4.35Å; L893-Y899 HydrophobicContact CB-CE2 3.9Å; L893-Y899 HydrophobicContact CD2-CD1 3.99Å; L893-Y899 HydrophobicContact CD2-CD2 4.38Å; L893-Y899 HydrophobicContact CD2-CE1 3.72Å; L893-Y899 HydrophobicContact CD2-CE2 4.14Å; L893-Y899 HydrophobicContact CD2-CG 4.31Å; L893-Y899 HydrophobicContact CG-CE2 4.49Å; L893-F920 HydrophobicContact CD1-CE2 3.64Å; L893-F920 HydrophobicContact CD1-CZ 3.72Å; L893-T922 HydrophobicContact CB-CG2 3.86Å; L893-T922 HydrophobicContact CD1-CG2 4.01Å
894	E	83.2	Confident	89.6	Confident	82 Å²	82	41.7 Å²	41.7	38%	0.383	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-78.3	133.5	174.7	-62.7	166	-164	0	0	109.2	K874 S897 Y899 T922	K874-E894 IonicContact NZ-OE1 2.81Å; K874-E894 PolarHBondContact NZ-OE1 3.41Å; E894-S897 WeakPolarHBondContact O-CB 3.36Å; E894-Y899 WeakPolarHBondContact CB-OH 3.47Å; E894-Y899 WeakPolarHBondContact CG-OH 3.46Å; E894-Y899 PolarHBondContact N-OH 3.11Å; E894-T922 PolarHBondContact O-OG1 3.21Å
895	P	84.3	Confident	89.9	Confident	23 Å²	23	38.8 Å²	38.8	15%	0.149	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	151.2	175	-28.4	38.8	0	0	0	114.6	S835 T836 S897 T922 Q954	S835-P895 WeakPolarHBondContact O-CA 3.49Å; T836-P895 HydrophobicContact CG2-CG 3.99Å; P895-S897 PolarHBondContact O-N 2.67Å; P895-S897 VanDerWaalsContact O-N 3.11Å; P895-T922 WeakPolarHBondContact CA-OG1 3.25Å; P895-Q954 HydrophobicContact CB-CB 4.22Å; P895-Q954 HydrophobicContact CG-CB 4.44Å
896	M	82.7	Confident	90.1	Very high	78 Å²	78	36.8 Å²	36.8	38%	0.384	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	20.2	-176.5	-147.9	-167.5	-159	0	0	114.8	T922 P923 E924	M896-T922 WeakPolarHBondContact CA-O 3.22Å; M896-T922 PolarHBondContact N-O 2.83Å; M896-T922 PolarHBondContact N-OG1 2.99Å; M896-T922 VanDerWaalsContact N-OG1 3.1Å; M896-P923 PolarHBondContact N-O 3.14Å; M896-E924 HydrophobicContact CE-CG 4.06Å; M896-E924 HydrophobicContact CG-CG 4.18Å; M896-E924 HydrophobicContact SD-CG 4.32Å
897	S	83	Confident	90.1	Very high	34 Å²	34	31.9 Å²	31.9	24%	0.238	20%	0.201	C	C	.	.			trans	-106.9	139.9	-179.2	-82.4	0	0	0	0	111.3	E894 P895 Y899 T921 T922	E894-S897 WeakPolarHBondContact O-CB 3.36Å; P895-S897 PolarHBondContact O-N 2.67Å; P895-S897 VanDerWaalsContact O-N 3.11Å; S897-Y899 WeakPolarHBondContact O-CD2 3.28Å; S897-T921 WeakPolarHBondContact O-CA 3.29Å; S897-T922 PolarHBondContact N-OG1 3.38Å; S897-T922 PolarHBondContact O-N 3.09Å; S897-T922 PolarHBondContact O-OG1 3.32Å; S897-T922 VanDerWaalsContact O-OG1 3.11Å
898	T	87.2	Confident	89.7	Confident	51 Å²	51	31.4 Å²	31.4	31%	0.313	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	136.2	173.8	-52.2	0	0	0	0	109.8	I864 F920 T921	I864-T898 WeakPolarHBondContact CB-O 3.26Å; I864-T898 HydrophobicContact CD1-CG2 3.92Å; I864-T898 PolarHBondContact N-O 2.88Å; T898-F920 CarbonylContact C-O 3.57Å; T898-F920 WeakPolarHBondContact CA-O 3.21Å; T898-F920 WeakPolarHBondContact CG2-O 3.38Å; T898-T921 WeakPolarHBondContact CG2-OG1 3.38Å; T898-T921 PolarHBondContact OG1-OG1 3.25Å
899	Y	90.5	Very high	89.2	Confident	11 Å²	11	37.7 Å²	37.7	4%	0.043	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.2	179.8	-76.1	-91.1	0	0	0	110.5	V861 W862 P863 L893 E894 S897 Y919 F920 T922	V861-Y899 HydrophobicContact CG1-CD1 3.85Å; V861-Y899 HydrophobicContact CG1-CG 4.35Å; W862-Y899 WeakPolarHBondContact O-CA 3.25Å; W862-Y899 WeakPolarHBondContact O-CD1 3.19Å; P863-Y899 HydrophobicContact CB-CD1 4.09Å; P863-Y899 HydrophobicContact CB-CE1 3.57Å; P863-Y899 HydrophobicContact CG-CE1 4.27Å; L893-Y899 HydrophobicContact CB-CE2 3.9Å; L893-Y899 HydrophobicContact CD2-CD1 3.99Å; L893-Y899 HydrophobicContact CD2-CD2 4.38Å; L893-Y899 HydrophobicContact CD2-CE1 3.72Å; L893-Y899 HydrophobicContact CD2-CE2 4.14Å; L893-Y899 HydrophobicContact CD2-CG 4.31Å; L893-Y899 HydrophobicContact CG-CE2 4.49Å; E894-Y899 WeakPolarHBondContact CB-OH 3.47Å; E894-Y899 WeakPolarHBondContact CG-OH 3.46Å; E894-Y899 PolarHBondContact N-OH 3.11Å; S897-Y899 WeakPolarHBondContact O-CD2 3.28Å; Y899-Y919 WeakPolarHBondContact O-CA 3.46Å; Y899-F920 HydrophobicContact CD2-CE2 4.43Å; Y899-F920 HydrophobicContact CD2-CZ 4.46Å; Y899-F920 HydrophobicContact CG-CZ 4.15Å; Y899-F920 PolarHBondContact N-O 2.91Å; Y899-F920 PolarHBondContact O-N 2.93Å; Y899-T922 HydrophobicContact CD2-CG2 4.38Å; Y899-T922 HydrophobicContact CE2-CG2 4.32Å
900	K	92.4	Very high	89.1	Confident	70 Å²	70	37.6 Å²	37.6	30%	0.304	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	147	163.6	61.8	164.4	-170.6	165.1	0	110.5	V861 W862 I864 I917 L918 Y919	V861-K900 WeakPolarHBondContact CA-O 3.46Å; W862-K900 HydrophobicContact CB-CG 3.95Å; W862-K900 HydrophobicContact CE3-CD 4.36Å; W862-K900 HydrophobicContact CE3-CG 4.08Å; W862-K900 PolarHBondContact N-O 3.3Å; W862-K900 PolarHBondContact O-N 2.87Å; I864-K900 HydrophobicContact CD1-CB 4.08Å; I864-K900 HydrophobicContact CD1-CG 4.46Å; I864-K900 HydrophobicContact CG1-CB 4.32Å; I864-K900 HydrophobicContact CG1-CG 4.24Å; K900-I917 HydrophobicContact CB-CG2 3.68Å; K900-I917 HydrophobicContact CD-CG2 4.22Å; K900-L918 CarbonylContact C-O 3.4Å; K900-L918 VanDerWaalsContact CA-O 3.32Å; K900-L918 WeakPolarHBondContact CA-O 3.42Å; K900-Y919 HydrophobicContact CB-CD1 4.28Å; K900-Y919 HydrophobicContact CB-CE1 4.18Å
901	L	93.4	Very high	89.1	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.2	-174	178.8	155.7	0	0	0	110.9	V827 V840 I859 S860 V861 I890 V903 I917 L918 F920	V827-L901 HydrophobicContact CG1-CD2 3.62Å; V840-L901 HydrophobicContact CB-CD1 4.07Å; V840-L901 HydrophobicContact CG1-CD1 4.26Å; V840-L901 HydrophobicContact CG2-CD1 3.91Å; V840-L901 HydrophobicContact CG2-CD2 3.91Å; I859-L901 HydrophobicContact CG2-CD1 3.98Å; I859-L901 HydrophobicContact CG2-CD2 4.36Å; I859-L901 HydrophobicContact CG2-CG 4.04Å; S860-L901 WeakPolarHBondContact O-CA 3.24Å; V861-L901 HydrophobicContact CG2-CD1 4Å; V861-L901 HydrophobicContact CG2-CG 4.19Å; I890-L901 HydrophobicContact CD1-CD1 3.31Å; L901-V903 HydrophobicContact CD2-CG2 3.96Å; L901-I917 WeakPolarHBondContact O-CA 3.33Å; L901-L918 HydrophobicContact CB-CB 4.31Å; L901-L918 HydrophobicContact CD2-CB 4.27Å; L901-L918 HydrophobicContact CD2-CD2 4.3Å; L901-L918 PolarHBondContact N-O 3.11Å; L901-L918 PolarHBondContact O-N 2.85Å; L901-F920 HydrophobicContact CB-CE1 4.36Å; L901-F920 HydrophobicContact CD1-CE1 4.39Å
902	T	94.5	Very high	89.2	Confident	2 Å²	2	38 Å²	38	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.7	167.6	57.5	0	0	0	0	110.5	S860 W862 Q914 I917	S860-T902 PolarHBondContact N-O 2.9Å; S860-T902 PolarHBondContact O-N 3.23Å; W862-T902 WeakPolarHBondContact CH2-OG1 3.42Å; W862-T902 HydrophobicContact CZ3-CG2 4.17Å; W862-T902 WeakPolarHBondContact CZ3-OG1 3.22Å; T902-Q914 HydrophobicContact CG2-CB 4.34Å; T902-I917 HydrophobicContact CG2-CB 4.48Å; T902-I917 HydrophobicContact CG2-CG1 3.91Å
903	V	94.6	Very high	89.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.6	170.3	-165.6	0	0	0	0	109.7	P824 V827 W842 K858 I859 L901 Q914 S915	P824-V903 HydrophobicContact CB-CB 4.45Å; P824-V903 HydrophobicContact CB-CG1 4.49Å; P824-V903 HydrophobicContact CG-CB 4.23Å; P824-V903 HydrophobicContact CG-CG1 3.99Å; V827-V903 HydrophobicContact CG1-CG2 3.83Å; V827-V903 HydrophobicContact CG2-CG2 4.24Å; W842-V903 HydrophobicContact CD2-CG1 4.27Å; W842-V903 HydrophobicContact CE3-CG2 4.32Å; K858-V903 WeakPolarHBondContact O-CA 3.48Å; I859-V903 HydrophobicContact CG1-CG1 4.14Å; I859-V903 HydrophobicContact CG1-CG2 4.09Å; I859-V903 HydrophobicContact CG2-CG2 4.35Å; L901-V903 HydrophobicContact CD2-CG2 3.96Å; V903-Q914 CarbonylContact O-C 3.48Å; V903-S915 PolarHBondContact N-OG 3.42Å; V903-S915 WeakPolarHBondContact O-CB 3.22Å; V903-S915 PolarHBondContact O-N 2.74Å
904	L	95.5	Very high	89.8	Confident	12 Å²	12	41.7 Å²	41.7	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	160.4	171.1	67.5	84.1	0	0	0	111	Y857 K858 F906 D911 P913 Q914	Y857-L904 CarbonylContact C-O 3.55Å; Y857-L904 WeakPolarHBondContact CA-O 3.47Å; K858-L904 HydrophobicContact CB-CD1 3.93Å; K858-L904 HydrophobicContact CB-CG 4.03Å; K858-L904 HydrophobicContact CD-CD1 4.06Å; K858-L904 PolarHBondContact N-O 3.4Å; K858-L904 PolarHBondContact O-N 3.08Å; L904-F906 HydrophobicContact CD1-CB 4.28Å; L904-D911 HydrophobicContact CD1-CB 3.79Å; L904-D911 HydrophobicContact CD2-CB 4.36Å; L904-P913 VanDerWaalsContact CB-O 3.31Å; L904-P913 WeakPolarHBondContact CB-O 3.39Å; L904-Q914 HydrophobicContact CB-CG 4.26Å; L904-Q914 HydrophobicContact CD2-CG 3.89Å
905	A	94.3	Very high	90.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.3	173	0	0	0	0	0	111.3	V845 I850 F854 G856 Y857 G912	V845-A905 HydrophobicContact CG1-CB 4.33Å; V845-A905 HydrophobicContact CG2-CB 3.81Å; I850-A905 HydrophobicContact CD1-CB 4.34Å; F854-A905 HydrophobicContact CE2-CB 4.12Å; G856-A905 CarbonylContact O-C 3.56Å; G856-A905 WeakPolarHBondContact O-CA 3.22Å; Y857-A905 HydrophobicContact CD1-CB 3.96Å; Y857-A905 HydrophobicContact CE1-CB 4Å; A905-G912 WeakPolarHBondContact O-CA 3.05Å; A905-G912 PolarHBondContact O-N 2.89Å
906	F	94.4	Very high	90.5	Very high	17 Å²	17	44.4 Å²	44.4	8%	0.075	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.1	-176.6	74.7	-79.2	0	0	0	115.1	I855 G856 K858 I880 L904 H910 D911	I855-F906 HydrophobicContact CB-CD2 4.06Å; I855-F906 HydrophobicContact CB-CE2 3.63Å; I855-F906 HydrophobicContact CB-CZ 3.95Å; I855-F906 HydrophobicContact CD1-CD2 4.44Å; I855-F906 HydrophobicContact CD1-CE2 4.07Å; I855-F906 HydrophobicContact CG1-CE2 4.38Å; I855-F906 HydrophobicContact CG2-CD2 4.45Å; I855-F906 HydrophobicContact CG2-CE1 4.47Å; I855-F906 HydrophobicContact CG2-CE2 3.54Å; I855-F906 HydrophobicContact CG2-CZ 3.55Å; I855-F906 PolarHBondContact N-O 3.46Å; I855-F906 VanDerWaalsContact N-O 3.08Å; G856-F906 VanDerWaalsContact C-CD1 3.43Å; G856-F906 VanDerWaalsContact C-CE1 3.44Å; G856-F906 PolarHBondContact N-O 3.15Å; G856-F906 WeakPolarHBondContact O-CD1 3.48Å; G856-F906 PolarHBondContact O-N 3.25Å; K858-F906 HydrophobicContact CD-CB 4.42Å; K858-F906 HydrophobicContact CD-CD1 3.81Å; K858-F906 HydrophobicContact CD-CE1 4.17Å; K858-F906 HydrophobicContact CD-CG 4.03Å; K858-F906 HydrophobicContact CG-CD1 3.75Å; K858-F906 HydrophobicContact CG-CE1 3.79Å; K858-F906 HydrophobicContact CG-CG 4.47Å; I880-F906 HydrophobicContact CG2-CE1 4.07Å; I880-F906 HydrophobicContact CG2-CZ 3.95Å; L904-F906 HydrophobicContact CD1-CB 4.28Å; F906-H910 WeakPolarHBondContact CA-O 3.26Å; F906-H910 WeakPolarHBondContact CB-O 2.97Å; F906-D911 WeakPolarHBondContact CB-OD1 3.06Å
907	N	90.7	Very high	90.9	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.011	24%	0.236	C	C	.	.			trans	-112.5	-163	176.1	69.6	25	0	0	0	111.9	D818 P820 I850 H853 E909 H910	D818-N907 PolarHBondContact O-ND2 3.17Å; P820-N907 HydrophobicContact CG-CB 4.3Å; I850-N907 HydrophobicContact CG2-CB 3.74Å; I850-N907 PolarHBondContact O-ND2 2.84Å; H853-N907 CarbonylContact O-C 3.55Å; H853-N907 WeakPolarHBondContact O-CA 3.48Å; H853-N907 WeakPolarHBondContact O-CB 3.49Å; N907-E909 VanDerWaalsContact C-N 3.31Å; N907-E909 PolarHBondContact O-N 2.79Å; N907-E909 PolarHBondContact OD1-N 2.84Å; N907-E909 VanDerWaalsContact OD1-N 3.11Å; N907-H910 PolarHBondContact N-O 3.1Å; N907-H910 WeakPolarHBondContact OD1-CB 3.27Å; N907-H910 PolarHBondContact OD1-N 2.83Å; N907-H910 PolarHBondContact OD1-O 2.88Å
908	S	86.4	Confident	91.4	Very high	52 Å²	52	44.4 Å²	44.4	36%	0.364	23%	0.234	S	C	.	.	S	Bend	trans	-50.5	-47.4	179.6	-50	0	0	0	0	113.4	E817 H853	E817-S908 VanDerWaalsContact CD-OG 3.29Å; E817-S908 VanDerWaalsContact OE1-CB 3.3Å; E817-S908 WeakPolarHBondContact OE1-CB 3.48Å; E817-S908 PolarHBondContact OE1-OG 3.12Å; E817-S908 WeakPolarHBondContact OE2-CB 3.44Å; E817-S908 PolarHBondContact OE2-OG 3.29Å; E817-S908 VanDerWaalsContact OE2-OG 3.12Å; H853-S908 PolarHBondContact O-N 2.72Å
909	E	81	Confident	91.6	Very high	144 Å²	144	48.7 Å²	48.7	67%	0.673	25%	0.245	S	C	*	.	S	Bend	trans	-115.5	-21.2	-165.5	-65.2	-61.8	141.2	0	0	113	N907	N907-E909 VanDerWaalsContact C-N 3.31Å; N907-E909 PolarHBondContact O-N 2.79Å; N907-E909 PolarHBondContact OD1-N 2.84Å; N907-E909 VanDerWaalsContact OD1-N 3.11Å
910	H	89.1	Confident	91.5	Very high	62 Å²	62	49.2 Å²	49.2	29%	0.287	25%	0.248	S	C	.	.			trans	-139.7	139	-158.8	-58	-31.7	0	0	0	114.8	D818 T819 P820 F906 N907	D818-H910 VanDerWaalsContact C-CD2 3.43Å; T819-H910 HydrophobicContact CG2-CB 4.33Å; P820-H910 WeakPolarHBondContact CD-O 3.39Å; F906-H910 WeakPolarHBondContact CA-O 3.26Å; F906-H910 WeakPolarHBondContact CB-O 2.97Å; N907-H910 PolarHBondContact N-O 3.1Å; N907-H910 WeakPolarHBondContact OD1-CB 3.27Å; N907-H910 PolarHBondContact OD1-N 2.83Å; N907-H910 PolarHBondContact OD1-O 2.88Å
911	D	91.9	Very high	91.3	Very high	71 Å²	71	49.8 Å²	49.8	38%	0.38	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.2	175.1	-78.8	-10	0	0	0	111.2	T819 K858 L904 F906	T819-D911 WeakPolarHBondContact CG2-O 3.3Å; K858-D911 WeakPolarHBondContact CD-OD1 3.03Å; K858-D911 WeakPolarHBondContact CD-OD2 3.24Å; K858-D911 WeakPolarHBondContact CE-OD1 3.08Å; K858-D911 IonicContact NZ-OD1 3.44Å; K858-D911 PolarHBondContact NZ-OD1 2.65Å; K858-D911 IonicContact NZ-OD2 3.67Å; K858-D911 PolarHBondContact NZ-OD2 2.86Å; L904-D911 HydrophobicContact CD1-CB 3.79Å; L904-D911 HydrophobicContact CD2-CB 4.36Å; F906-D911 WeakPolarHBondContact CB-OD1 3.06Å
912	G	90.5	Very high	90.9	Very high	9 Å²	9	50 Å²	50	9%	0.093	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-177.8	177.5	0	0	0	0	0	114.8	P820 A905	P820-G912 WeakPolarHBondContact O-CA 3.36Å; A905-G912 WeakPolarHBondContact O-CA 3.05Å; A905-G912 PolarHBondContact O-N 2.89Å
913	P	93.3	Very high	90.5	Very high	55 Å²	55	52.5 Å²	52.5	36%	0.357	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	148.6	179.7	27.1	-34.9	0	0	0	112.3	P820 S823 L904	P820-P913 WeakPolarHBondContact O-CD 3.04Å; S823-P913 VanDerWaalsContact CB-O 3.22Å; S823-P913 WeakPolarHBondContact CB-O 3.45Å; L904-P913 VanDerWaalsContact CB-O 3.31Å; L904-P913 WeakPolarHBondContact CB-O 3.39Å
914	Q	92.1	Very high	90.1	Very high	101 Å²	101	55 Å²	55	47%	0.472	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	150.9	173.6	-72.5	172.9	4	0	0	111.6	S823 T902 V903 L904	S823-Q914 VanDerWaalsContact CB-O 3.31Å; S823-Q914 WeakPolarHBondContact CB-O 3.23Å; S823-Q914 PolarHBondContact OG-O 2.86Å; T902-Q914 HydrophobicContact CG2-CB 4.34Å; V903-Q914 CarbonylContact O-C 3.48Å; L904-Q914 HydrophobicContact CB-CG 4.26Å; L904-Q914 HydrophobicContact CD2-CG 3.89Å
915	S	94.1	Very high	89.5	Confident	9 Å²	9	54.5 Å²	54.5	6%	0.063	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-62.4	169.4	164.5	70.7	0	0	0	0	111.5	P824 V903	P824-S915 WeakPolarHBondContact O-CB 3.41Å; V903-S915 PolarHBondContact N-OG 3.42Å; V903-S915 WeakPolarHBondContact O-CB 3.22Å; V903-S915 PolarHBondContact O-N 2.74Å
916	D	89.8	Confident	89.1	Confident	152 Å²	152	57.5 Å²	57.5	81%	0.813	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-53.2	151.4	160.4	-66.7	-57.9	0	0	0	111.3	L918	D916-L918 PolarHBondContact O-N 2.86Å
917	I	90.6	Very high	88.8	Confident	78 Å²	78	56.8 Å²	56.8	40%	0.4	30%	0.299	S	S	.	.			trans	-80.9	112.6	-176.1	-54.6	178.6	0	0	0	109.6	K900 L901 T902 Y919	K900-I917 HydrophobicContact CB-CG2 3.68Å; K900-I917 HydrophobicContact CD-CG2 4.22Å; L901-I917 WeakPolarHBondContact O-CA 3.33Å; T902-I917 HydrophobicContact CG2-CB 4.48Å; T902-I917 HydrophobicContact CG2-CG1 3.91Å; I917-Y919 HydrophobicContact CB-CE2 3.86Å; I917-Y919 HydrophobicContact CG2-CD2 4.01Å; I917-Y919 HydrophobicContact CG2-CE2 3.46Å; I917-Y919 VanDerWaalsContact CG2-CE2 3.46Å; I917-Y919 VanDerWaalsContact O-CD2 3.31Å; I917-Y919 WeakPolarHBondContact O-CD2 3.39Å
918	L	92.4	Very high	88.8	Confident	35 Å²	35	58 Å²	58	18%	0.183	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.3	172.5	178.3	64.2	0	0	0	110.1	V827 I829 V840 K900 L901 D916	V827-L918 HydrophobicContact CG1-CD2 4.18Å; I829-L918 HydrophobicContact CD1-CD2 3.83Å; I829-L918 HydrophobicContact CG1-CD2 3.96Å; V840-L918 HydrophobicContact CG2-CD2 4.28Å; K900-L918 CarbonylContact C-O 3.4Å; K900-L918 VanDerWaalsContact CA-O 3.32Å; K900-L918 WeakPolarHBondContact CA-O 3.42Å; L901-L918 HydrophobicContact CB-CB 4.31Å; L901-L918 HydrophobicContact CD2-CB 4.27Å; L901-L918 HydrophobicContact CD2-CD2 4.3Å; L901-L918 PolarHBondContact N-O 3.11Å; L901-L918 PolarHBondContact O-N 2.85Å; D916-L918 PolarHBondContact O-N 2.86Å
919	Y	91.4	Very high	89.1	Confident	141 Å²	141	56.8 Å²	56.8	55%	0.553	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.8	177.3	-69.3	-102.7	0	0	0	110.2	I864 Y899 K900 I917	I864-Y919 HydrophobicContact CD1-CD1 3.5Å; I864-Y919 HydrophobicContact CD1-CE1 3.59Å; Y899-Y919 WeakPolarHBondContact O-CA 3.46Å; K900-Y919 HydrophobicContact CB-CD1 4.28Å; K900-Y919 HydrophobicContact CB-CE1 4.18Å; I917-Y919 HydrophobicContact CB-CE2 3.86Å; I917-Y919 HydrophobicContact CG2-CD2 4.01Å; I917-Y919 HydrophobicContact CG2-CE2 3.46Å; I917-Y919 VanDerWaalsContact CG2-CE2 3.46Å; I917-Y919 VanDerWaalsContact O-CD2 3.31Å; I917-Y919 WeakPolarHBondContact O-CD2 3.39Å
920	F	90.1	Very high	89.6	Confident	22 Å²	22	50.2 Å²	50.2	10%	0.096	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	160.7	176.1	72.2	-83.8	0	0	0	111.6	I829 V838 V861 L893 T898 Y899 L901 T922	I829-F920 HydrophobicContact CD1-CD1 3.99Å; I829-F920 HydrophobicContact CD1-CE1 4.23Å; I829-F920 HydrophobicContact CD1-CG 4.22Å; I829-F920 HydrophobicContact CG1-CB 3.96Å; I829-F920 HydrophobicContact CG1-CD1 4.16Å; I829-F920 HydrophobicContact CG1-CG 3.97Å; V838-F920 HydrophobicContact CB-CE2 4.39Å; V838-F920 HydrophobicContact CG1-CD2 4.2Å; V838-F920 HydrophobicContact CG1-CE2 3.85Å; V838-F920 HydrophobicContact CG2-CD2 4.39Å; V838-F920 HydrophobicContact CG2-CE2 3.65Å; V838-F920 HydrophobicContact CG2-CZ 3.75Å; V861-F920 HydrophobicContact CG1-CE1 4.34Å; V861-F920 HydrophobicContact CG1-CZ 4.41Å; L893-F920 HydrophobicContact CD1-CE2 3.64Å; L893-F920 HydrophobicContact CD1-CZ 3.72Å; T898-F920 CarbonylContact C-O 3.57Å; T898-F920 WeakPolarHBondContact CA-O 3.21Å; T898-F920 WeakPolarHBondContact CG2-O 3.38Å; Y899-F920 HydrophobicContact CD2-CE2 4.43Å; Y899-F920 HydrophobicContact CD2-CZ 4.46Å; Y899-F920 HydrophobicContact CG-CZ 4.15Å; Y899-F920 PolarHBondContact N-O 2.91Å; Y899-F920 PolarHBondContact O-N 2.93Å; L901-F920 HydrophobicContact CB-CE1 4.36Å; L901-F920 HydrophobicContact CD1-CE1 4.39Å; F920-T922 HydrophobicContact CE2-CG2 4.43Å
921	T	87.3	Confident	89.7	Confident	81 Å²	81	50.6 Å²	50.6	50%	0.497	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135	178.2	-56.6	0	0	0	0	109.8	S897 T898	S897-T921 WeakPolarHBondContact O-CA 3.29Å; T898-T921 WeakPolarHBondContact CG2-OG1 3.38Å; T898-T921 PolarHBondContact OG1-OG1 3.25Å
922	T	85.5	Confident	89.5	Confident	5 Å²	5	50 Å²	50	3%	0.031	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-73.6	148.9	176.6	48.1	0	0	0	0	112.2	S835 L893 E894 P895 M896 S897 Y899 F920	S835-T922 WeakPolarHBondContact O-CB 3.36Å; L893-T922 HydrophobicContact CB-CG2 3.86Å; L893-T922 HydrophobicContact CD1-CG2 4.01Å; E894-T922 PolarHBondContact O-OG1 3.21Å; P895-T922 WeakPolarHBondContact CA-OG1 3.25Å; M896-T922 WeakPolarHBondContact CA-O 3.22Å; M896-T922 PolarHBondContact N-O 2.83Å; M896-T922 PolarHBondContact N-OG1 2.99Å; M896-T922 VanDerWaalsContact N-OG1 3.1Å; S897-T922 PolarHBondContact N-OG1 3.38Å; S897-T922 PolarHBondContact O-N 3.09Å; S897-T922 PolarHBondContact O-OG1 3.32Å; S897-T922 VanDerWaalsContact O-OG1 3.11Å; Y899-T922 HydrophobicContact CD2-CG2 4.38Å; Y899-T922 HydrophobicContact CE2-CG2 4.32Å; F920-T922 HydrophobicContact CE2-CG2 4.43Å
923	P	85.6	Confident	89.6	Confident	54 Å²	54	51.1 Å²	51.1	35%	0.351	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-55.8	163.9	169.3	-26.3	33.9	0	0	0	114	V832 M896	V832-P923 HydrophobicContact CG1-CG 3.69Å; M896-P923 PolarHBondContact N-O 3.14Å
924	E	86	Confident	89.3	Confident	54 Å²	54	51.6 Å²	51.6	25%	0.252	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-61.8	141.2	166	-69.4	-171	-152.1	0	0	110.8	M896 G955 R956 G1005 G1006	M896-E924 HydrophobicContact CE-CG 4.06Å; M896-E924 HydrophobicContact CG-CG 4.18Å; M896-E924 HydrophobicContact SD-CG 4.32Å; E924-G955 WeakPolarHBondContact OE2-CA 3.38Å; E924-R956 PolarHBondContact OE2-N 3.33Å; E924-G1005 WeakPolarHBondContact OE2-CA 3.5Å; E924-G1005 PolarHBondContact OE2-N 2.65Å; E924-G1006 WeakPolarHBondContact O-CA 3.45Å
925	G	83.1	Confident	89.2	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.01	27%	0.267	C	S	.	.			trans	-104.2	173	173.5	0	0	0	0	0	112.5	Q954 T1004	G925-Q954 PolarHBondContact N-O 2.72Å; G925-T1004 PolarHBondContact O-OG1 2.75Å
926	T	86.1	Confident	88.8	Confident	62 Å²	62	51.8 Å²	51.8	38%	0.38	29%	0.289	S	S	.	.			trans	-74.5	140.2	175.7	48.5	0	0	0	0	111.3	Q954 E1008	T926-Q954 WeakPolarHBondContact O-CB 3.27Å; T926-Q954 VanDerWaalsContact O-CD 3.25Å; T926-Q954 PolarHBondContact O-OE1 3.21Å; T926-E1008 WeakPolarHBondContact CB-O 3.17Å; T926-E1008 WeakPolarHBondContact CG2-O 3.12Å
927	P	89.1	Confident	88.6	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.019	26%	0.257	C	S	.	.			trans	-61.9	150.8	176.2	-25.1	35.1	0	0	0	114.1	P950 L957 T1004 G1009 E1010	P927-P950 HydrophobicContact CB-CB 4.31Å; P927-P950 HydrophobicContact CB-CG 4.01Å; P927-L957 HydrophobicContact CB-CD2 4.32Å; P927-L957 HydrophobicContact CG-CD2 3.77Å; P927-T1004 HydrophobicContact CG-CG2 3.52Å; P927-G1009 WeakPolarHBondContact O-CA 3.1Å; P927-E1010 PolarHBondContact O-N 2.84Å; P927-E1010 VanDerWaalsContact O-N 3.13Å
928	S	89.4	Confident	88.1	Confident	26 Å²	26	42.2 Å²	42.2	18%	0.182	24%	0.24	C	C	.	.			trans	-68.1	174.9	159.8	61.7	0	0	0	0	111.7	P950 T952	S928-P950 VanDerWaalsContact O-CB 3.3Å; S928-P950 WeakPolarHBondContact O-CB 3.07Å; S928-P950 VanDerWaalsContact O-CG 3.29Å; S928-P950 WeakPolarHBondContact O-CG 2.82Å; S928-T952 VanDerWaalsContact CB-OG1 3.29Å; S928-T952 WeakPolarHBondContact CB-OG1 3.25Å; S928-T952 PolarHBondContact N-O 3.12Å; S928-T952 PolarHBondContact OG-N 2.9Å; S928-T952 PolarHBondContact OG-O 2.67Å; S928-T952 PolarHBondContact OG-OG1 3.16Å; S928-T952 VanDerWaalsContact OG-OG1 3.1Å
929	A	92	Very high	87.7	Confident	27 Å²	27	40.6 Å²	40.6	22%	0.223	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-47.5	146	170.7	0	0	0	0	0	113.2	P950 E1010 S1012	A929-P950 WeakPolarHBondContact O-CA 3.46Å; A929-P950 WeakPolarHBondContact O-CB 3.45Å; A929-E1010 HydrophobicContact CB-CB 4.4Å; A929-E1010 HydrophobicContact CB-CG 4Å; A929-E1010 WeakPolarHBondContact CB-OE2 3.24Å; A929-E1010 PolarHBondContact N-OE2 3.42Å; A929-S1012 VanDerWaalsContact CB-OG 3.3Å; A929-S1012 WeakPolarHBondContact CB-OG 3.37Å
930	V	92.5	Very high	87.4	Confident	7 Å²	7	34.1 Å²	34.1	4%	0.042	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.6	137.8	173	-60.2	0	0	0	0	110.6	L933 W947 P950 Y960 V1000 S1012	V930-L933 HydrophobicContact CG2-CB 4.45Å; V930-W947 HydrophobicContact CB-CB 4.3Å; V930-W947 HydrophobicContact CB-CG 4.41Å; V930-W947 HydrophobicContact CG2-CB 4Å; V930-W947 HydrophobicContact CG2-CG 4.27Å; V930-P950 HydrophobicContact CG1-CG 3.97Å; V930-Y960 HydrophobicContact CG1-CD1 3.76Å; V930-Y960 HydrophobicContact CG1-CE1 3.84Å; V930-V1000 HydrophobicContact CG1-CG1 4.2Å; V930-V1000 HydrophobicContact CG2-CB 3.87Å; V930-V1000 HydrophobicContact CG2-CG1 3.94Å; V930-S1012 WeakPolarHBondContact CG2-OG 3.42Å; V930-S1012 PolarHBondContact N-OG 2.93Å; V930-S1012 PolarHBondContact O-OG 3.15Å
931	L	90.9	Very high	87.2	Confident	69 Å²	69	35.3 Å²	35.3	36%	0.361	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	155.2	179.5	-67.9	179.6	0	0	0	111.6	L933 Q948 A949 E951	L931-L933 VanDerWaalsContact C-N 3.28Å; L931-L933 PolarHBondContact O-N 2.85Å; L931-L933 VanDerWaalsContact O-N 3.11Å; L931-Q948 HydrophobicContact CB-CB 3.94Å; L931-Q948 PolarHBondContact N-O 3.33Å; L931-Q948 PolarHBondContact O-N 2.86Å; L931-A949 WeakPolarHBondContact CG-O 3.23Å; L931-E951 HydrophobicContact CD1-CB 4.06Å; L931-E951 HydrophobicContact CD2-CB 4.31Å; L931-E951 HydrophobicContact CG-CB 4.38Å
932	A	88.9	Confident	87.1	Confident	58 Å²	58	31.7 Å²	31.7	48%	0.479	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	47.4	43.1	169.2	0	0	0	0	0	115.2	T934 Q948	A932-T934 PolarHBondContact O-N 3.05Å; A932-Q948 HydrophobicContact CB-CB 4.36Å; A932-Q948 HydrophobicContact CB-CG 3.99Å
933	L	91	Very high	87.3	Confident	34 Å²	34	31.4 Å²	31.4	18%	0.178	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	113.2	174.3	176.5	60.6	0	0	0	110.5	V930 L931 V935 S946 W947 V1000 S1012 A1014	V930-L933 HydrophobicContact CG2-CB 4.45Å; L931-L933 VanDerWaalsContact C-N 3.28Å; L931-L933 PolarHBondContact O-N 2.85Å; L931-L933 VanDerWaalsContact O-N 3.11Å; L933-V935 HydrophobicContact CD1-CG2 3.75Å; L933-V935 HydrophobicContact CG-CG2 4Å; L933-S946 WeakPolarHBondContact CA-O 3.23Å; L933-W947 HydrophobicContact CD1-CB 4.17Å; L933-V1000 HydrophobicContact CD1-CB 4.35Å; L933-V1000 HydrophobicContact CD1-CG2 3.6Å; L933-V1000 HydrophobicContact CD2-CB 4.46Å; L933-V1000 HydrophobicContact CD2-CG2 4.13Å; L933-S1012 VanDerWaalsContact CD2-O 3.26Å; L933-S1012 WeakPolarHBondContact CD2-O 3.3Å; L933-A1014 HydrophobicContact CD2-CB 4.09Å; L933-A1014 HydrophobicContact CG-CB 4.26Å
934	T	88.3	Confident	87.3	Confident	65 Å²	65	29.6 Å²	29.6	40%	0.399	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128	173	59.6	0	0	0	0	109.3	A932 S945 S946	A932-T934 PolarHBondContact O-N 3.05Å; T934-S945 WeakPolarHBondContact O-CA 3.37Å; T934-S946 PolarHBondContact N-O 3.21Å; T934-S946 PolarHBondContact O-N 3.16Å; T934-S946 PolarHBondContact OG1-O 2.83Å; T934-S946 PolarHBondContact OG1-OG 2.7Å
935	V	89.7	Confident	87.4	Confident	16 Å²	16	27 Å²	27	10%	0.097	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	115.4	179.5	-175.9	0	0	0	0	109.1	L933 I943 V944 V998 A1014 V1016	L933-V935 HydrophobicContact CD1-CG2 3.75Å; L933-V935 HydrophobicContact CG-CG2 4Å; V935-I943 HydrophobicContact CG1-CG2 3.48Å; V935-I943 VanDerWaalsContact CG1-CG2 3.48Å; V935-V944 WeakPolarHBondContact CA-O 3.3Å; V935-V998 HydrophobicContact CG1-CB 3.99Å; V935-V998 HydrophobicContact CG1-CG1 4.41Å; V935-V998 HydrophobicContact CG1-CG2 3.86Å; V935-V998 HydrophobicContact CG2-CB 4.22Å; V935-V998 HydrophobicContact CG2-CG1 4.34Å; V935-A1014 HydrophobicContact CB-CB 4.2Å; V935-A1014 HydrophobicContact CG2-CB 3.85Å; V935-V1016 HydrophobicContact CG1-CB 3.83Å; V935-V1016 HydrophobicContact CG1-CG1 3.67Å; V935-V1016 HydrophobicContact CG1-CG2 4.37Å
936	N	85.1	Confident	87.6	Confident	98 Å²	98	29 Å²	29	52%	0.524	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.8	-172.5	-64.5	-48.1	0	0	0	110.6	V944	N936-V944 PolarHBondContact N-O 2.89Å; N936-V944 PolarHBondContact O-N 3.08Å
937	S	85.4	Confident	87.9	Confident	21 Å²	21	26.4 Å²	26.4	15%	0.147	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.5	169.2	50.5	0	0	0	0	110.1	T942 R1017 W1019	S937-T942 WeakPolarHBondContact CA-O 3.36Å; S937-R1017 VanDerWaalsContact CB-O 3.3Å; S937-R1017 WeakPolarHBondContact CB-O 3.38Å; S937-R1017 PolarHBondContact OG-O 3.06Å; S937-W1019 PolarHBondContact O-NE1 2.87Å; S937-W1019 PolarHBondContact OG-NE1 2.89Å
938	I	80.3	Confident	87.9	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.041	19%	0.19	C	C	.	.			trans	-95.4	-21.6	179	62.8	170.6	0	0	0	112.5	T942 V944 M986 P1051 G1052 F1075	I938-T942 HydrophobicContact CD1-CG2 3.85Å; I938-T942 HydrophobicContact CG1-CG2 3.8Å; I938-T942 PolarHBondContact N-O 3.16Å; I938-V944 HydrophobicContact CD1-CG2 3.77Å; I938-V944 HydrophobicContact CG1-CG2 4.07Å; I938-V944 HydrophobicContact CG2-CB 4.44Å; I938-V944 HydrophobicContact CG2-CG2 3.77Å; I938-M986 HydrophobicContact CD1-SD 4.09Å; I938-P1051 HydrophobicContact CB-CG 4.12Å; I938-P1051 HydrophobicContact CG2-CG 4.46Å; I938-P1051 VanDerWaalsContact O-CD 3.22Å; I938-P1051 WeakPolarHBondContact O-CD 3.09Å; I938-P1051 WeakPolarHBondContact O-CG 3.21Å; I938-G1052 CarbonylContact O-C 3.46Å; I938-G1052 WeakPolarHBondContact O-CA 2.96Å; I938-G1052 PolarHBondContact O-N 2.97Å; I938-F1075 HydrophobicContact CD1-CB 3.92Å
939	G	83.3	Confident	88	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-145.3	-170	179.1	0	0	0	0	0	112	T941 W1019 D1099	G939-T941 VanDerWaalsContact C-N 3.31Å; G939-W1019 PolarHBondContact O-N 2.88Å; G939-D1099 WeakPolarHBondContact CA-OD1 3.26Å
940	S	86.5	Confident	87.9	Confident	6 Å²	6	31.3 Å²	31.3	4%	0.042	19%	0.188	C	C	.	.	S	Bend	trans	-72.5	-25.1	175.4	67.1	0	0	0	0	112.3	P992 T1018 W1019 D1099	S940-P992 WeakPolarHBondContact O-CA 3.23Å; S940-P992 WeakPolarHBondContact O-CG 3.35Å; S940-T1018 WeakPolarHBondContact O-CB 3.29Å; S940-W1019 WeakPolarHBondContact CA-O 3.15Å; S940-D1099 VanDerWaalsContact CB-OD2 3.31Å; S940-D1099 WeakPolarHBondContact CB-OD2 3.26Å; S940-D1099 PolarHBondContact N-OD1 3.28Å; S940-D1099 PolarHBondContact OG-OD1 2.86Å; S940-D1099 PolarHBondContact OG-OD2 3.4Å
941	T	86.2	Confident	87.6	Confident	47 Å²	47	38.5 Å²	38.5	29%	0.288	22%	0.221	S	C	.	.	S	Bend	trans	-118.8	-0.6	-179.5	67.2	0	0	0	0	115.8	G939 E988 A990 P992	G939-T941 VanDerWaalsContact C-N 3.31Å; T941-E988 CarbonylContact O-C 3.6Å; T941-E988 VanDerWaalsContact O-O 3.09Å; T941-A990 VanDerWaalsContact CA-O 3.26Å; T941-A990 WeakPolarHBondContact CA-O 3.18Å; T941-A990 WeakPolarHBondContact CB-O 3.4Å; T941-A990 WeakPolarHBondContact O-CA 2.98Å; T941-A990 VanDerWaalsContact O-CB 3.28Å; T941-A990 WeakPolarHBondContact O-CB 3.11Å; T941-A990 PolarHBondContact O-N 2.9Å; T941-P992 HydrophobicContact CG2-CG 4.22Å
942	T	85.2	Confident	87.3	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.025	22%	0.222	C	C	.	.			trans	-124.3	127.8	-170.7	-54.8	0	0	0	0	113.8	S937 I938 M986 Y987 E988 T1053	S937-T942 WeakPolarHBondContact CA-O 3.36Å; I938-T942 HydrophobicContact CD1-CG2 3.85Å; I938-T942 HydrophobicContact CG1-CG2 3.8Å; I938-T942 PolarHBondContact N-O 3.16Å; T942-M986 HydrophobicContact CG2-CG 3.4Å; T942-M986 VanDerWaalsContact CG2-CG 3.4Å; T942-M986 HydrophobicContact CG2-SD 3.83Å; T942-Y987 WeakPolarHBondContact CA-O 3.13Å; T942-E988 HydrophobicContact CG2-CG 4.18Å; T942-T1053 WeakPolarHBondContact OG1-CG2 3.47Å
943	I	88.5	Confident	86.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.5	173	-63.3	166.4	0	0	0	108.8	V935 F964 M986 Y987 A990 Y996 V998 V1016 T1018	V935-I943 HydrophobicContact CG1-CG2 3.48Å; V935-I943 VanDerWaalsContact CG1-CG2 3.48Å; I943-F964 HydrophobicContact CG2-CE1 4.23Å; I943-M986 WeakPolarHBondContact O-CA 3.44Å; I943-Y987 HydrophobicContact CD1-CD1 4.35Å; I943-Y987 PolarHBondContact N-O 3.01Å; I943-Y987 PolarHBondContact O-N 3.45Å; I943-A990 HydrophobicContact CD1-CB 3.99Å; I943-A990 HydrophobicContact CG1-CB 4.27Å; I943-Y996 HydrophobicContact CD1-CD1 4.23Å; I943-Y996 HydrophobicContact CD1-CD2 3.77Å; I943-Y996 HydrophobicContact CD1-CE2 4.4Å; I943-Y996 HydrophobicContact CD1-CG 3.68Å; I943-V998 HydrophobicContact CG2-CG2 4.38Å; I943-V1016 HydrophobicContact CD1-CG1 3.71Å; I943-V1016 HydrophobicContact CG1-CG1 3.99Å; I943-V1016 HydrophobicContact CG2-CG1 3.93Å; I943-T1018 HydrophobicContact CD1-CG2 4.16Å; I943-T1018 HydrophobicContact CG1-CG2 4.02Å
944	V	85.8	Confident	86.4	Confident	16 Å²	16	39.3 Å²	39.3	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.3	171.5	179.1	0	0	0	0	108.7	V935 N936 I938 M986 F1075	V935-V944 WeakPolarHBondContact CA-O 3.3Å; N936-V944 PolarHBondContact N-O 2.89Å; N936-V944 PolarHBondContact O-N 3.08Å; I938-V944 HydrophobicContact CD1-CG2 3.77Å; I938-V944 HydrophobicContact CG1-CG2 4.07Å; I938-V944 HydrophobicContact CG2-CB 4.44Å; I938-V944 HydrophobicContact CG2-CG2 3.77Å; V944-M986 HydrophobicContact CG2-CG 3.95Å; V944-M986 HydrophobicContact CG2-SD 4.06Å; V944-F1075 HydrophobicContact CG1-CD1 4.27Å; V944-F1075 HydrophobicContact CG2-CB 4.43Å
945	S	88	Confident	86.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.3	175.2	-55.6	0	0	0	0	109.6	T934 S984 Y985	T934-S945 WeakPolarHBondContact O-CA 3.37Å; S945-S984 CarbonylContact O-C 3.42Å; S945-S984 WeakPolarHBondContact O-CA 3.39Å; S945-S984 WeakPolarHBondContact O-CB 3.29Å; S945-Y985 PolarHBondContact N-O 3.14Å; S945-Y985 PolarHBondContact O-N 3.25Å
946	S	88.3	Confident	85.9	Confident	42 Å²	42	45.2 Å²	45.2	29%	0.294	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.9	169.9	44	0	0	0	0	110.9	L933 T934 S983	L933-S946 WeakPolarHBondContact CA-O 3.23Å; T934-S946 PolarHBondContact N-O 3.21Å; T934-S946 PolarHBondContact O-N 3.16Å; T934-S946 PolarHBondContact OG1-O 2.83Å; T934-S946 PolarHBondContact OG1-OG 2.7Å; S946-S983 CarbonylContact C-O 3.5Å; S946-S983 WeakPolarHBondContact CA-O 3.11Å
947	W	92.4	Very high	85.8	Confident	7 Å²	7	41.6 Å²	41.6	3%	0.027	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	173.6	-175.3	57.6	99.6	0	0	0	110.4	V930 L933 Y960 L962 V978 S983 S984 V1000	V930-W947 HydrophobicContact CB-CB 4.3Å; V930-W947 HydrophobicContact CB-CG 4.41Å; V930-W947 HydrophobicContact CG2-CB 4Å; V930-W947 HydrophobicContact CG2-CG 4.27Å; L933-W947 HydrophobicContact CD1-CB 4.17Å; W947-Y960 AromaticContact CE2-CD2 3.8Å; W947-Y960 AromaticContact CE2-CG 3.87Å; W947-Y960 AromaticContact CZ2-CD2 3.8Å; W947-Y960 HydrophobicContact CZ2-CD2 3.8Å; W947-Y960 HydrophobicContact CZ2-CG 4.01Å; W947-Y960 AromaticContact NE1-CD1 3.46Å; W947-Y960 AromaticContact NE1-CD2 3.18Å; W947-Y960 AromaticContact NE1-CE1 3.66Å; W947-Y960 AromaticContact NE1-CE2 3.37Å; W947-Y960 AromaticContact NE1-CG 3.21Å; W947-Y960 AromaticContact NE1-CZ 3.61Å; W947-L962 HydrophobicContact CH2-CD1 3.86Å; W947-L962 HydrophobicContact CH2-CD2 3.83Å; W947-L962 HydrophobicContact CH2-CG 4.23Å; W947-L962 HydrophobicContact CZ2-CD1 4.26Å; W947-L962 HydrophobicContact CZ3-CD2 3.73Å; W947-L962 HydrophobicContact CZ3-CG 4.45Å; W947-V978 HydrophobicContact CH2-CG1 4.26Å; W947-V978 HydrophobicContact CZ2-CB 4.41Å; W947-V978 HydrophobicContact CZ2-CG1 4.1Å; W947-S983 PolarHBondContact N-O 2.73Å; W947-S983 WeakPolarHBondContact O-CB 3.29Å; W947-S983 PolarHBondContact O-OG 3.49Å; W947-S984 VanDerWaalsContact CH2-C 3.5Å; W947-S984 VanDerWaalsContact CZ3-CA 3.45Å; W947-V1000 HydrophobicContact CD2-CG1 3.82Å; W947-V1000 HydrophobicContact CE3-CG1 4.22Å; W947-V1000 HydrophobicContact CE3-CG2 4.29Å; W947-V1000 HydrophobicContact CG-CG1 4.11Å; W947-V1000 HydrophobicContact CZ2-CG1 4.33Å
948	Q	89.4	Confident	85.7	Confident	115 Å²	115	47 Å²	47	54%	0.537	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	164	169.9	-67.6	176.5	5.9	0	0	109.5	L931 A932	L931-Q948 HydrophobicContact CB-CB 3.94Å; L931-Q948 PolarHBondContact N-O 3.33Å; L931-Q948 PolarHBondContact O-N 2.86Å; A932-Q948 HydrophobicContact CB-CB 4.36Å; A932-Q948 HydrophobicContact CB-CG 3.99Å
949	A	89.8	Confident	86.1	Confident	39 Å²	39	46.7 Å²	46.7	32%	0.322	23%	0.233	S	C	.	.			trans	-62.8	148.6	177.5	0	0	0	0	0	111.3	L931 L957	L931-A949 WeakPolarHBondContact CG-O 3.23Å; A949-L957 HydrophobicContact CB-CD1 4.24Å
950	P	91.1	Very high	86.5	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.039	23%	0.234	C	C	.	.			trans	-52	143.2	172.1	-30.5	36.6	0	0	0	113.5	P927 S928 A929 V930 T952 P953	P927-P950 HydrophobicContact CB-CB 4.31Å; P927-P950 HydrophobicContact CB-CG 4.01Å; S928-P950 VanDerWaalsContact O-CB 3.3Å; S928-P950 WeakPolarHBondContact O-CB 3.07Å; S928-P950 VanDerWaalsContact O-CG 3.29Å; S928-P950 WeakPolarHBondContact O-CG 2.82Å; A929-P950 WeakPolarHBondContact O-CA 3.46Å; A929-P950 WeakPolarHBondContact O-CB 3.45Å; V930-P950 HydrophobicContact CG1-CG 3.97Å; P950-T952 VanDerWaalsContact C-N 3.28Å; P950-T952 PolarHBondContact O-N 2.59Å; P950-P953 WeakPolarHBondContact O-CD 3.1Å
951	E	86	Confident	86.7	Confident	158 Å²	158	47.6 Å²	47.6	74%	0.738	24%	0.236	S	C	*	.	S	Bend	trans	-61.2	-38.9	176	-170.5	173.1	-172.8	0	0	111.8	L931 P953	L931-E951 HydrophobicContact CD1-CB 4.06Å; L931-E951 HydrophobicContact CD2-CB 4.31Å; L931-E951 HydrophobicContact CG-CB 4.38Å; E951-P953 WeakPolarHBondContact O-CD 3.41Å
952	T	83.7	Confident	87	Confident	64 Å²	64	45.3 Å²	45.3	39%	0.393	22%	0.223	S	C	.	.			trans	-115.6	96.9	170.6	68	0	0	0	0	110.2	S928 P950 Q954	S928-T952 VanDerWaalsContact CB-OG1 3.29Å; S928-T952 WeakPolarHBondContact CB-OG1 3.25Å; S928-T952 PolarHBondContact N-O 3.12Å; S928-T952 PolarHBondContact OG-N 2.9Å; S928-T952 PolarHBondContact OG-O 2.67Å; S928-T952 PolarHBondContact OG-OG1 3.16Å; S928-T952 VanDerWaalsContact OG-OG1 3.1Å; P950-T952 VanDerWaalsContact C-N 3.28Å; P950-T952 PolarHBondContact O-N 2.59Å; T952-Q954 PolarHBondContact O-N 2.72Å; T952-Q954 PolarHBondContact OG1-NE2 3.28Å
953	P	81.3	Confident	87.4	Confident	45 Å²	45	45.1 Å²	45.1	29%	0.292	22%	0.221	S	C	.	.			trans	-64	-28.2	173.6	-27.7	37.4	0	0	0	113.7	P950 E951 G955 L957 T1004	P950-P953 WeakPolarHBondContact O-CD 3.1Å; E951-P953 WeakPolarHBondContact O-CD 3.41Å; P953-G955 PolarHBondContact O-N 2.85Å; P953-L957 HydrophobicContact CB-CD1 3.95Å; P953-L957 HydrophobicContact CB-CG 4.11Å; P953-L957 HydrophobicContact CG-CD1 4.11Å; P953-T1004 VanDerWaalsContact O-CG2 3.31Å; P953-T1004 WeakPolarHBondContact O-CG2 3.26Å
954	Q	80.1	Confident	87.5	Confident	68 Å²	68	45.3 Å²	45.3	32%	0.318	22%	0.222	S	C	.	.			trans	55.1	-0.3	-177.6	-52.9	-167.3	25.5	0	0	116.7	P895 G925 T926 T952	P895-Q954 HydrophobicContact CB-CB 4.22Å; P895-Q954 HydrophobicContact CG-CB 4.44Å; G925-Q954 PolarHBondContact N-O 2.72Å; T926-Q954 WeakPolarHBondContact O-CB 3.27Å; T926-Q954 VanDerWaalsContact O-CD 3.25Å; T926-Q954 PolarHBondContact O-OE1 3.21Å; T952-Q954 PolarHBondContact O-N 2.72Å; T952-Q954 PolarHBondContact OG1-NE2 3.28Å
955	G	82.7	Confident	87.7	Confident	13 Å²	13	47.5 Å²	47.5	13%	0.134	23%	0.23	C	C	.	.	S	Bend	trans	-170.9	-161.6	176.1	0	0	0	0	0	110.5	E924 P953 L957	E924-G955 WeakPolarHBondContact OE2-CA 3.38Å; P953-G955 PolarHBondContact O-N 2.85Å; G955-L957 PolarHBondContact O-N 3.36Å
956	R	84.2	Confident	87.8	Confident	193 Å²	193	48.4 Å²	48.4	73%	0.728	23%	0.234	S	C	*	.			trans	-89.9	105.7	175.9	-176.2	176.7	179.5	171	0.6	110	E924 R958	E924-R956 PolarHBondContact OE2-N 3.33Å; R956-R958 PolarHBondContact O-N 3.38Å
957	L	83.2	Confident	87.6	Confident	21 Å²	21	50.3 Å²	50.3	11%	0.11	24%	0.24	C	C	.	.			trans	-53.9	126.7	175.9	-78.2	162	0	0	0	111.6	P927 A949 P953 G955 Y960 Y980 E1003 T1004	P927-L957 HydrophobicContact CB-CD2 4.32Å; P927-L957 HydrophobicContact CG-CD2 3.77Å; A949-L957 HydrophobicContact CB-CD1 4.24Å; P953-L957 HydrophobicContact CB-CD1 3.95Å; P953-L957 HydrophobicContact CB-CG 4.11Å; P953-L957 HydrophobicContact CG-CD1 4.11Å; G955-L957 PolarHBondContact O-N 3.36Å; L957-Y960 HydrophobicContact CD2-CE1 4.37Å; L957-Y980 HydrophobicContact CB-CD2 3.96Å; L957-Y980 HydrophobicContact CB-CE2 4.42Å; L957-Y980 HydrophobicContact CB-CG 4.27Å; L957-Y980 HydrophobicContact CD1-CD2 4.48Å; L957-Y980 HydrophobicContact CD1-CE2 4.4Å; L957-E1003 CarbonylContact C-O 3.57Å; L957-E1003 WeakPolarHBondContact CA-O 3.21Å; L957-T1004 HydrophobicContact CD2-CG2 4.44Å
958	R	83.5	Confident	86.7	Confident	136 Å²	136	53.8 Å²	53.8	51%	0.513	26%	0.259	S	S	.	.			trans	-99.6	-40.5	179.4	-62.9	174.4	172	-175.4	-2.4	111.5	R956 Y980 E1003 T1004	R956-R958 PolarHBondContact O-N 3.38Å; R958-Y980 WeakPolarHBondContact O-CB 3.29Å; R958-Y980 PolarHBondContact O-N 2.97Å; R958-E1003 HydrophobicContact CB-CB 4.5Å; R958-E1003 VanDerWaalsContact CD-OE1 3.29Å; R958-E1003 WeakPolarHBondContact CD-OE1 3.31Å; R958-E1003 PolarHBondContact N-O 2.78Å; R958-E1003 IonicContact NH1-OE1 3.61Å; R958-E1003 PolarHBondContact NH1-OE1 3.28Å; R958-T1004 PolarHBondContact NE-O 3.27Å; R958-T1004 PolarHBondContact NH1-O 2.8Å
959	G	88.2	Confident	85.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178	-168.2	-178.8	0	0	0	0	0	111.5	V978 E1003	G959-V978 CarbonylContact C-O 3.49Å; G959-V978 WeakPolarHBondContact CA-O 3.34Å; G959-E1003 PolarHBondContact O-N 2.95Å
960	Y	91.6	Very high	84.1	Confident	3 Å²	3	59.6 Å²	59.6	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.4	177.3	-54	-79.8	0	0	0	109.3	V930 W947 L957 W977 V978 Y980 R982 W1001	V930-Y960 HydrophobicContact CG1-CD1 3.76Å; V930-Y960 HydrophobicContact CG1-CE1 3.84Å; W947-Y960 AromaticContact CE2-CD2 3.8Å; W947-Y960 AromaticContact CE2-CG 3.87Å; W947-Y960 AromaticContact CZ2-CD2 3.8Å; W947-Y960 HydrophobicContact CZ2-CD2 3.8Å; W947-Y960 HydrophobicContact CZ2-CG 4.01Å; W947-Y960 AromaticContact NE1-CD1 3.46Å; W947-Y960 AromaticContact NE1-CD2 3.18Å; W947-Y960 AromaticContact NE1-CE1 3.66Å; W947-Y960 AromaticContact NE1-CE2 3.37Å; W947-Y960 AromaticContact NE1-CG 3.21Å; W947-Y960 AromaticContact NE1-CZ 3.61Å; L957-Y960 HydrophobicContact CD2-CE1 4.37Å; Y960-W977 CarbonylContact O-C 3.54Å; Y960-W977 WeakPolarHBondContact O-CA 3Å; Y960-V978 PolarHBondContact N-O 3.26Å; Y960-V978 PolarHBondContact O-N 3Å; Y960-Y980 HydrophobicContact CE2-CD2 4.16Å; Y960-R982 WeakPolarHBondContact CD2-O 3.16Å; Y960-R982 VanDerWaalsContact CE2-O 3.29Å; Y960-R982 WeakPolarHBondContact CE2-O 3.14Å; Y960-W1001 CarbonylContact C-O 3.6Å; Y960-W1001 WeakPolarHBondContact CA-O 3.25Å
961	F	91.7	Very high	82.7	Confident	22 Å²	22	63.8 Å²	63.8	10%	0.096	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	147.1	162.2	-71.2	-83	0	0	0	109.4	R88 T976 W977 V1000 W1001 E1003 E1008	R88-F961 VanDerWaalsContact NH2-CZ 3.32Å; F961-T976 WeakPolarHBondContact CA-O 3.41Å; F961-W977 HydrophobicContact CD1-CB 4.06Å; F961-W977 AromaticContact CD1-CD1 3.75Å; F961-W977 HydrophobicContact CD1-CG 4.32Å; F961-W977 AromaticContact CD2-CD1 3.86Å; F961-W977 HydrophobicContact CE1-CB 4.07Å; F961-W977 AromaticContact CE1-CD1 3.54Å; F961-W977 HydrophobicContact CE1-CG 4.15Å; F961-W977 AromaticContact CE2-CD1 3.65Å; F961-W977 AromaticContact CG-CD1 3.9Å; F961-W977 AromaticContact CZ-CD1 3.48Å; F961-W977 VanDerWaalsContact CZ-CD1 3.48Å; F961-W977 HydrophobicContact CZ-CG 4.42Å; F961-V1000 WeakPolarHBondContact O-CA 3.03Å; F961-W1001 HydrophobicContact CB-CD2 3.6Å; F961-W1001 HydrophobicContact CB-CE3 4.08Å; F961-W1001 HydrophobicContact CB-CG 4.12Å; F961-W1001 HydrophobicContact CB-CH2 3.94Å; F961-W1001 HydrophobicContact CB-CZ2 3.48Å; F961-W1001 VanDerWaalsContact CB-CZ2 3.48Å; F961-W1001 HydrophobicContact CB-CZ3 4.22Å; F961-W1001 AromaticContact CD2-NE1 3.76Å; F961-W1001 AromaticContact CG-CE2 3.97Å; F961-W1001 HydrophobicContact CG-CZ2 4.12Å; F961-W1001 AromaticContact CG-NE1 3.87Å; F961-W1001 PolarHBondContact N-O 3.38Å; F961-W1001 PolarHBondContact O-N 2.87Å; F961-E1003 HydrophobicContact CE2-CB 4.18Å; F961-E1003 HydrophobicContact CE2-CG 4.17Å; F961-E1008 HydrophobicContact CD2-CG 4.02Å; F961-E1008 HydrophobicContact CE2-CG 3.71Å
962	L	93.3	Very high	81.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.9	169	-61.5	82.6	0	0	0	109.1	W947 F964 E975 T976 V978 Y985 S999 V1000	W947-L962 HydrophobicContact CH2-CD1 3.86Å; W947-L962 HydrophobicContact CH2-CD2 3.83Å; W947-L962 HydrophobicContact CH2-CG 4.23Å; W947-L962 HydrophobicContact CZ2-CD1 4.26Å; W947-L962 HydrophobicContact CZ3-CD2 3.73Å; W947-L962 HydrophobicContact CZ3-CG 4.45Å; L962-F964 HydrophobicContact CB-CE2 3.98Å; L962-F964 HydrophobicContact CD2-CE2 4.22Å; L962-F964 HydrophobicContact CD2-CZ 4.08Å; L962-E975 CarbonylContact O-C 3.58Å; L962-E975 VanDerWaalsContact O-CA 3.29Å; L962-E975 WeakPolarHBondContact O-CA 3.22Å; L962-T976 HydrophobicContact CB-CG2 3.85Å; L962-T976 HydrophobicContact CD1-CG2 4.32Å; L962-T976 PolarHBondContact N-O 2.9Å; L962-T976 PolarHBondContact O-N 3.08Å; L962-V978 HydrophobicContact CD1-CB 3.96Å; L962-V978 HydrophobicContact CD1-CG2 3.5Å; L962-V978 VanDerWaalsContact CD1-CG2 3.5Å; L962-Y985 HydrophobicContact CD2-CD1 4.24Å; L962-Y985 HydrophobicContact CD2-CG 4.08Å; L962-S999 CarbonylContact C-O 3.26Å; L962-S999 WeakPolarHBondContact CA-O 3.32Å; L962-V1000 HydrophobicContact CD2-CG2 4.1Å; L962-V1000 HydrophobicContact CG-CG1 4.21Å; L962-V1000 HydrophobicContact CG-CG2 3.94Å
963	S	92.8	Very high	81.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.7	166	68.4	0	0	0	0	111.9	E973 E974 V998 S999	S963-E973 VanDerWaalsContact CB-OE2 3.23Å; S963-E973 WeakPolarHBondContact CB-OE2 3.43Å; S963-E973 PolarHBondContact OG-OE2 2.92Å; S963-E974 CarbonylContact C-O 3.49Å; S963-E974 VanDerWaalsContact CA-O 3.32Å; S963-E974 WeakPolarHBondContact CA-O 3.03Å; S963-V998 CarbonylContact O-C 3.42Å; S963-V998 VanDerWaalsContact O-CA 3.29Å; S963-V998 WeakPolarHBondContact O-CA 3.05Å; S963-S999 PolarHBondContact N-O 3.39Å; S963-S999 PolarHBondContact O-N 2.9Å; S963-S999 WeakPolarHBondContact OG-CB 3.1Å
964	F	91.4	Very high	81.5	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.4	174.7	-64.2	-94.2	0	0	0	108.3	I943 L962 E974 T976 Y985 Y987 V998	I943-F964 HydrophobicContact CG2-CE1 4.23Å; L962-F964 HydrophobicContact CB-CE2 3.98Å; L962-F964 HydrophobicContact CD2-CE2 4.22Å; L962-F964 HydrophobicContact CD2-CZ 4.08Å; F964-E974 HydrophobicContact CB-CB 4.48Å; F964-E974 PolarHBondContact N-O 2.83Å; F964-E974 PolarHBondContact O-N 2.92Å; F964-T976 HydrophobicContact CE2-CG2 4.11Å; F964-Y985 AromaticContact CE2-CD1 3.94Å; F964-Y985 HydrophobicContact CE2-CD1 3.94Å; F964-Y985 AromaticContact CE2-CE1 3.96Å; F964-Y985 HydrophobicContact CE2-CE1 3.96Å; F964-Y985 AromaticContact CZ-CD1 3.77Å; F964-Y985 HydrophobicContact CZ-CD1 3.77Å; F964-Y985 HydrophobicContact CZ-CE1 4.15Å; F964-Y987 HydrophobicContact CB-CD2 4.39Å; F964-Y987 HydrophobicContact CB-CE1 4.3Å; F964-Y987 HydrophobicContact CB-CE2 4.09Å; F964-Y987 AromaticContact CD1-CD1 3.79Å; F964-Y987 HydrophobicContact CD1-CD1 3.79Å; F964-Y987 HydrophobicContact CD1-CD2 4.07Å; F964-Y987 HydrophobicContact CD1-CE1 4.31Å; F964-Y987 AromaticContact CD1-CG 3.66Å; F964-Y987 HydrophobicContact CD1-CG 3.66Å; F964-Y987 AromaticContact CD2-CD2 3.77Å; F964-Y987 HydrophobicContact CD2-CD2 3.77Å; F964-Y987 HydrophobicContact CD2-CE2 4.14Å; F964-Y987 HydrophobicContact CD2-CG 4.18Å; F964-Y987 VanDerWaalsContact CE1-CB 3.49Å; F964-Y987 HydrophobicContact CE1-CD1 4.25Å; F964-Y987 HydrophobicContact CE1-CD2 4.36Å; F964-Y987 AromaticContact CE1-CG 3.81Å; F964-Y987 HydrophobicContact CE1-CG 3.81Å; F964-Y987 HydrophobicContact CE2-CD2 4.08Å; F964-Y987 HydrophobicContact CE2-CG 4.31Å; F964-Y987 HydrophobicContact CG-CD1 4.17Å; F964-Y987 AromaticContact CG-CD2 3.79Å; F964-Y987 HydrophobicContact CG-CD2 3.79Å; F964-Y987 HydrophobicContact CG-CE1 4.37Å; F964-Y987 AromaticContact CG-CE2 4Å; F964-Y987 HydrophobicContact CG-CE2 4Å; F964-Y987 AromaticContact CG-CG 3.88Å; F964-Y987 HydrophobicContact CG-CG 3.88Å; F964-Y987 HydrophobicContact CZ-CD2 4.39Å; F964-Y987 HydrophobicContact CZ-CG 4.16Å; F964-V998 HydrophobicContact CD1-CB 4.34Å; F964-V998 HydrophobicContact CD1-CG1 3.88Å; F964-V998 HydrophobicContact CD1-CG2 3.56Å; F964-V998 HydrophobicContact CE1-CB 4.31Å; F964-V998 HydrophobicContact CE1-CG1 3.5Å; F964-V998 HydrophobicContact CE1-CG2 3.78Å; F964-V998 HydrophobicContact CZ-CG1 3.86Å
965	K	89.6	Confident	81.8	Confident	61 Å²	61	67.5 Å²	67.5	27%	0.265	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.7	-174.1	-172.1	-170.7	-149.6	147.2	0	109.6	L967 E973 Y996 E997	K965-L967 HydrophobicContact CD-CD2 4.42Å; K965-E973 HydrophobicContact CB-CG 3.61Å; K965-E973 HydrophobicContact CD-CG 4.11Å; K965-E973 VanDerWaalsContact CE-OE1 3.24Å; K965-E973 WeakPolarHBondContact CE-OE1 3.23Å; K965-E973 HydrophobicContact CG-CG 3.8Å; K965-E973 IonicContact NZ-OE1 2.78Å; K965-E973 PolarHBondContact NZ-OE1 3.26Å; K965-Y996 CarbonylContact O-C 3.32Å; K965-Y996 WeakPolarHBondContact O-CA 3.13Å; K965-E997 HydrophobicContact CB-CB 4.17Å; K965-E997 WeakPolarHBondContact CB-O 3.29Å; K965-E997 HydrophobicContact CD-CB 4.18Å; K965-E997 HydrophobicContact CD-CG 4.24Å; K965-E997 WeakPolarHBondContact CD-OE2 3.45Å; K965-E997 WeakPolarHBondContact CE-OE2 3.36Å; K965-E997 PolarHBondContact N-O 3.04Å; K965-E997 IonicContact NZ-OE2 3.17Å; K965-E997 PolarHBondContact NZ-OE2 3.37Å; K965-E997 PolarHBondContact O-N 2.97Å
966	R	89.1	Confident	82	Confident	20 Å²	20	68.7 Å²	68.7	8%	0.075	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.1	170.4	-68.9	175.7	63.1	-130.5	-5.8	108.9	E969 E971 T994 Y996	R966-E969 IonicContact CZ-OE1 3.51Å; R966-E969 IonicContact CZ-OE2 3.16Å; R966-E969 IonicContact NH1-OE1 2.71Å; R966-E969 PolarHBondContact NH1-OE1 3.06Å; R966-E969 IonicContact NH1-OE2 3.2Å; R966-E969 PolarHBondContact NH1-OE2 3.37Å; R966-E969 IonicContact NH2-OE1 2.72Å; R966-E969 PolarHBondContact NH2-OE1 2.87Å; R966-E969 IonicContact NH2-OE2 2.7Å; R966-E969 VanDerWaalsContact O-O 3.06Å; R966-E971 VanDerWaalsContact CD-OE2 3.28Å; R966-E971 WeakPolarHBondContact CD-OE2 3.45Å; R966-E971 IonicContact CZ-OE2 2.73Å; R966-E971 IonicContact NE-OE2 3.56Å; R966-E971 IonicContact NH1-OE1 2.79Å; R966-E971 PolarHBondContact NH1-OE1 2.95Å; R966-E971 IonicContact NH1-OE2 3.12Å; R966-E971 PolarHBondContact NH1-OE2 2.68Å; R966-T994 HydrophobicContact CG-CG2 4.07Å; R966-Y996 HydrophobicContact CG-CD1 3.83Å; R966-Y996 HydrophobicContact CG-CE1 3.31Å; R966-Y996 HydrophobicContact CG-CE2 4.15Å; R966-Y996 HydrophobicContact CG-CG 4.44Å; R966-Y996 VanDerWaalsContact CG-CZ 3.48Å
967	L	85	Confident	82.2	Confident	82 Å²	82	64.6 Å²	64.6	43%	0.429	30%	0.301	S	S	.	.	S	Bend	trans	-88.1	-20.5	177.8	-67.3	177.8	0	0	0	112.6	K965 E969 N995 E997 V1015	K965-L967 HydrophobicContact CD-CD2 4.42Å; L967-E969 VanDerWaalsContact C-N 3.33Å; L967-N995 HydrophobicContact CB-CB 4.13Å; L967-N995 HydrophobicContact CD1-CB 4.49Å; L967-N995 PolarHBondContact N-O 2.9Å; L967-E997 HydrophobicContact CD1-CB 4.17Å; L967-E997 HydrophobicContact CD2-CB 3.75Å; L967-E997 HydrophobicContact CG-CB 3.97Å; L967-V1015 HydrophobicContact CD1-CB 4.42Å; L967-V1015 HydrophobicContact CD1-CG1 3.6Å; L967-V1015 HydrophobicContact CD1-CG2 3.88Å
968	D	73.2	Confident	82.2	Confident	79 Å²	79	63.9 Å²	63.9	42%	0.422	30%	0.297	S	S	.	.	S	Bend	trans	-80.3	-13.3	-177.2	-53.7	-47.3	0	0	0	113.1	N995	D968-N995 PolarHBondContact OD1-ND2 3.17Å; D968-N995 PolarHBondContact OD2-N 2.55Å
969	E	66.1	Low	82.2	Confident	91 Å²	91	59.8 Å²	59.8	43%	0.425	29%	0.288	S	S	.	.	S	Bend	trans	-147.5	144.8	-177.7	-74.8	170.7	-138.4	0	0	110.6	R966 L967 E971	R966-E969 IonicContact CZ-OE1 3.51Å; R966-E969 IonicContact CZ-OE2 3.16Å; R966-E969 IonicContact NH1-OE1 2.71Å; R966-E969 PolarHBondContact NH1-OE1 3.06Å; R966-E969 IonicContact NH1-OE2 3.2Å; R966-E969 PolarHBondContact NH1-OE2 3.37Å; R966-E969 IonicContact NH2-OE1 2.72Å; R966-E969 PolarHBondContact NH2-OE1 2.87Å; R966-E969 IonicContact NH2-OE2 2.7Å; R966-E969 VanDerWaalsContact O-O 3.06Å; L967-E969 VanDerWaalsContact C-N 3.33Å; E969-E971 HydrophobicContact CB-CG 4.46Å; E969-E971 PolarHBondContact O-N 3.42Å
970	N	58.7	Low	81.9	Confident	185 Å²	185	65.6 Å²	65.6	99%	0.989	31%	0.311	S	S	*	.			trans	-73.9	49.1	175	-86	-11.1	0	0	0	113
971	E	62.3	Low	81.5	Confident	94 Å²	94	70.2 Å²	70.2	44%	0.439	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-77	161.3	171.2	-78.2	-175.6	160.4	0	0	111.5	R966 E969 K991	R966-E971 VanDerWaalsContact CD-OE2 3.28Å; R966-E971 WeakPolarHBondContact CD-OE2 3.45Å; R966-E971 IonicContact CZ-OE2 2.73Å; R966-E971 IonicContact NE-OE2 3.56Å; R966-E971 IonicContact NH1-OE1 2.79Å; R966-E971 PolarHBondContact NH1-OE1 2.95Å; R966-E971 IonicContact NH1-OE2 3.12Å; R966-E971 PolarHBondContact NH1-OE2 2.68Å; E969-E971 HydrophobicContact CB-CG 4.46Å; E969-E971 PolarHBondContact O-N 3.42Å; E971-K991 IonicContact OE1-NZ 3.58Å; E971-K991 PolarHBondContact OE1-NZ 2.72Å; E971-K991 IonicContact OE2-NZ 3.87Å
972	K	63.1	Low	81.1	Confident	151 Å²	151	77.3 Å²	77.3	66%	0.657	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-69.5	145.8	176.6	-69.4	-170.9	175	-170.3	0	110.8	E974	K972-E974 PolarHBondContact O-N 3.06Å
973	E	78.2	Confident	80.8	Confident	59 Å²	59	79.6 Å²	79.6	28%	0.276	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-58.9	124.7	167	-96.2	170.1	-120.7	0	0	110.8	S963 K965 K1011	S963-E973 VanDerWaalsContact CB-OE2 3.23Å; S963-E973 WeakPolarHBondContact CB-OE2 3.43Å; S963-E973 PolarHBondContact OG-OE2 2.92Å; K965-E973 HydrophobicContact CB-CG 3.61Å; K965-E973 HydrophobicContact CD-CG 4.11Å; K965-E973 VanDerWaalsContact CE-OE1 3.24Å; K965-E973 WeakPolarHBondContact CE-OE1 3.23Å; K965-E973 HydrophobicContact CG-CG 3.8Å; K965-E973 IonicContact NZ-OE1 2.78Å; K965-E973 PolarHBondContact NZ-OE1 3.26Å; E973-K1011 IonicContact OE2-NZ 3.72Å; E973-K1011 PolarHBondContact OE2-NZ 3.17Å
974	E	83.1	Confident	80.4	Confident	111 Å²	111	82.5 Å²	82.5	52%	0.519	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	111.3	170.4	-77.1	-160.3	-151.4	0	0	110	S963 F964 K972	S963-E974 CarbonylContact C-O 3.49Å; S963-E974 VanDerWaalsContact CA-O 3.32Å; S963-E974 WeakPolarHBondContact CA-O 3.03Å; F964-E974 HydrophobicContact CB-CB 4.48Å; F964-E974 PolarHBondContact N-O 2.83Å; F964-E974 PolarHBondContact O-N 2.92Å; K972-E974 PolarHBondContact O-N 3.06Å
975	E	87	Confident	80.2	Confident	93 Å²	93	86 Å²	86	44%	0.435	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.3	-175.3	-65.4	178	137.5	0	0	113.1	K58 L962 W1001	K58-E975 IonicContact NZ-OE2 2.69Å; L962-E975 CarbonylContact O-C 3.58Å; L962-E975 VanDerWaalsContact O-CA 3.29Å; L962-E975 WeakPolarHBondContact O-CA 3.22Å; E975-W1001 HydrophobicContact CG-CH2 4.49Å
976	T	86.8	Confident	79.9	Confident	38 Å²	38	85 Å²	85	23%	0.233	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	167.4	175.2	-171.3	0	0	0	0	110.7	F961 L962 F964 Y985	F961-T976 WeakPolarHBondContact CA-O 3.41Å; L962-T976 HydrophobicContact CB-CG2 3.85Å; L962-T976 HydrophobicContact CD1-CG2 4.32Å; L962-T976 PolarHBondContact N-O 2.9Å; L962-T976 PolarHBondContact O-N 3.08Å; F964-T976 HydrophobicContact CE2-CG2 4.11Å; T976-Y985 HydrophobicContact CG2-CD1 4.38Å; T976-Y985 HydrophobicContact CG2-CE1 3.9Å; T976-Y985 HydrophobicContact CG2-CE2 4.07Å; T976-Y985 PolarHBondContact OG1-OH 2.84Å
977	W	88	Confident	79.8	Confident	107 Å²	107	84.8 Å²	84.8	41%	0.405	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.3	-178.6	-179.4	96.2	0	0	0	111.4	Y960 F961 P979 E1003	Y960-W977 CarbonylContact O-C 3.54Å; Y960-W977 WeakPolarHBondContact O-CA 3Å; F961-W977 HydrophobicContact CD1-CB 4.06Å; F961-W977 AromaticContact CD1-CD1 3.75Å; F961-W977 HydrophobicContact CD1-CG 4.32Å; F961-W977 AromaticContact CD2-CD1 3.86Å; F961-W977 HydrophobicContact CE1-CB 4.07Å; F961-W977 AromaticContact CE1-CD1 3.54Å; F961-W977 HydrophobicContact CE1-CG 4.15Å; F961-W977 AromaticContact CE2-CD1 3.65Å; F961-W977 AromaticContact CG-CD1 3.9Å; F961-W977 AromaticContact CZ-CD1 3.48Å; F961-W977 VanDerWaalsContact CZ-CD1 3.48Å; F961-W977 HydrophobicContact CZ-CG 4.42Å; W977-P979 HydrophobicContact CE3-CB 4.49Å; W977-P979 HydrophobicContact CH2-CB 3.65Å; W977-P979 HydrophobicContact CZ3-CB 3.59Å; W977-P979 HydrophobicContact CZ3-CG 4.06Å; W977-E1003 PolarHBondContact NE1-OE2 3.23Å
978	V	83.2	Confident	79.6	Confident	5 Å²	5	86.4 Å²	86.4	3%	0.03	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.4	-170.6	171.1	0	0	0	0	109.3	W947 G959 Y960 L962 R982 Y985	W947-V978 HydrophobicContact CH2-CG1 4.26Å; W947-V978 HydrophobicContact CZ2-CB 4.41Å; W947-V978 HydrophobicContact CZ2-CG1 4.1Å; G959-V978 CarbonylContact C-O 3.49Å; G959-V978 WeakPolarHBondContact CA-O 3.34Å; Y960-V978 PolarHBondContact N-O 3.26Å; Y960-V978 PolarHBondContact O-N 3Å; L962-V978 HydrophobicContact CD1-CB 3.96Å; L962-V978 HydrophobicContact CD1-CG2 3.5Å; L962-V978 VanDerWaalsContact CD1-CG2 3.5Å; V978-R982 HydrophobicContact CG1-CB 3.44Å; V978-R982 VanDerWaalsContact CG1-CB 3.44Å; V978-R982 HydrophobicContact CG1-CG 4.49Å; V978-Y985 HydrophobicContact CG2-CD2 3.51Å; V978-Y985 HydrophobicContact CG2-CE2 4.19Å; V978-Y985 HydrophobicContact CG2-CG 4.22Å
979	P	84.5	Confident	80.1	Confident	50 Å²	50	87.5 Å²	87.5	33%	0.325	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.4	-175.9	24.9	-33	0	0	0	112.4	W977 R982	W977-P979 HydrophobicContact CE3-CB 4.49Å; W977-P979 HydrophobicContact CH2-CB 3.65Å; W977-P979 HydrophobicContact CZ3-CB 3.59Å; W977-P979 HydrophobicContact CZ3-CG 4.06Å; P979-R982 VanDerWaalsContact O-CB 3.3Å; P979-R982 WeakPolarHBondContact O-CB 3.06Å; P979-R982 PolarHBondContact O-N 2.64Å
980	Y	81.9	Confident	81	Confident	123 Å²	123	83.4 Å²	83.4	48%	0.482	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	136.5	170.3	-177.7	-86.7	0	0	0	109.3	L957 R958 Y960	L957-Y980 HydrophobicContact CB-CD2 3.96Å; L957-Y980 HydrophobicContact CB-CE2 4.42Å; L957-Y980 HydrophobicContact CB-CG 4.27Å; L957-Y980 HydrophobicContact CD1-CD2 4.48Å; L957-Y980 HydrophobicContact CD1-CE2 4.4Å; R958-Y980 WeakPolarHBondContact O-CB 3.29Å; R958-Y980 PolarHBondContact O-N 2.97Å; Y960-Y980 HydrophobicContact CE2-CD2 4.16Å
981	P	83	Confident	82.3	Confident	100 Å²	100	79 Å²	79	65%	0.649	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	cis	-96.3	17	13.7	38.7	-37.8	0	0	0	115.6	S983	P981-S983 PolarHBondContact O-N 2.68Å
982	R	83.3	Confident	83.5	Confident	170 Å²	170	76.4 Å²	76.4	64%	0.642	37%	0.374	S	S	*	.			trans	-63.3	131.2	176	-67.9	-178	175.3	-169.1	-2.3	110	Y960 V978 P979	Y960-R982 WeakPolarHBondContact CD2-O 3.16Å; Y960-R982 VanDerWaalsContact CE2-O 3.29Å; Y960-R982 WeakPolarHBondContact CE2-O 3.14Å; V978-R982 HydrophobicContact CG1-CB 3.44Å; V978-R982 VanDerWaalsContact CG1-CB 3.44Å; V978-R982 HydrophobicContact CG1-CG 4.49Å; P979-R982 VanDerWaalsContact O-CB 3.3Å; P979-R982 WeakPolarHBondContact O-CB 3.06Å; P979-R982 PolarHBondContact O-N 2.64Å
983	S	85.8	Confident	84.7	Confident	48 Å²	48	71.8 Å²	71.8	34%	0.336	36%	0.36	S	S	.	.			trans	-128.5	26.8	-178.5	76.3	0	0	0	0	112.6	S946 W947 P981	S946-S983 CarbonylContact C-O 3.5Å; S946-S983 WeakPolarHBondContact CA-O 3.11Å; W947-S983 PolarHBondContact N-O 2.73Å; W947-S983 WeakPolarHBondContact O-CB 3.29Å; W947-S983 PolarHBondContact O-OG 3.49Å; P981-S983 PolarHBondContact O-N 2.68Å
984	S	85.9	Confident	85.2	Confident	62 Å²	62	69.6 Å²	69.6	43%	0.434	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156.8	173.1	61.9	0	0	0	0	111.8	S945 W947	S945-S984 CarbonylContact O-C 3.42Å; S945-S984 WeakPolarHBondContact O-CA 3.39Å; S945-S984 WeakPolarHBondContact O-CB 3.29Å; W947-S984 VanDerWaalsContact CH2-C 3.5Å; W947-S984 VanDerWaalsContact CZ3-CA 3.45Å
985	Y	86.1	Confident	85.6	Confident	77 Å²	77	66.1 Å²	66.1	30%	0.302	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152.6	178.2	-170.4	-98.3	0	0	0	110.3	S945 L962 F964 T976 V978	S945-Y985 PolarHBondContact N-O 3.14Å; S945-Y985 PolarHBondContact O-N 3.25Å; L962-Y985 HydrophobicContact CD2-CD1 4.24Å; L962-Y985 HydrophobicContact CD2-CG 4.08Å; F964-Y985 AromaticContact CE2-CD1 3.94Å; F964-Y985 HydrophobicContact CE2-CD1 3.94Å; F964-Y985 AromaticContact CE2-CE1 3.96Å; F964-Y985 HydrophobicContact CE2-CE1 3.96Å; F964-Y985 AromaticContact CZ-CD1 3.77Å; F964-Y985 HydrophobicContact CZ-CD1 3.77Å; F964-Y985 HydrophobicContact CZ-CE1 4.15Å; T976-Y985 HydrophobicContact CG2-CD1 4.38Å; T976-Y985 HydrophobicContact CG2-CE1 3.9Å; T976-Y985 HydrophobicContact CG2-CE2 4.07Å; T976-Y985 PolarHBondContact OG1-OH 2.84Å; V978-Y985 HydrophobicContact CG2-CD2 3.51Å; V978-Y985 HydrophobicContact CG2-CE2 4.19Å; V978-Y985 HydrophobicContact CG2-CG 4.22Å
986	M	82.9	Confident	85.8	Confident	40 Å²	40	62 Å²	62	20%	0.197	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.1	175.8	-170	166.8	79.5	0	0	109.2	I938 T942 I943 V944 E988 T1074	I938-M986 HydrophobicContact CD1-SD 4.09Å; T942-M986 HydrophobicContact CG2-CG 3.4Å; T942-M986 VanDerWaalsContact CG2-CG 3.4Å; T942-M986 HydrophobicContact CG2-SD 3.83Å; I943-M986 WeakPolarHBondContact O-CA 3.44Å; V944-M986 HydrophobicContact CG2-CG 3.95Å; V944-M986 HydrophobicContact CG2-SD 4.06Å; M986-E988 HydrophobicContact CE-CG 3.82Å; M986-E988 VanDerWaalsContact CE-OE1 3.28Å; M986-E988 WeakPolarHBondContact CE-OE1 2.89Å; M986-E988 HydrophobicContact CG-CG 4.11Å; M986-T1074 HydrophobicContact CE-CG2 4.06Å
987	Y	87.2	Confident	86.1	Confident	16 Å²	16	62.4 Å²	62.4	6%	0.063	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	101.6	-177.2	178	-98.2	0	0	0	108.5	T942 I943 F964 V989 A990 Y996	T942-Y987 WeakPolarHBondContact CA-O 3.13Å; I943-Y987 HydrophobicContact CD1-CD1 4.35Å; I943-Y987 PolarHBondContact N-O 3.01Å; I943-Y987 PolarHBondContact O-N 3.45Å; F964-Y987 HydrophobicContact CB-CD2 4.39Å; F964-Y987 HydrophobicContact CB-CE1 4.3Å; F964-Y987 HydrophobicContact CB-CE2 4.09Å; F964-Y987 AromaticContact CD1-CD1 3.79Å; F964-Y987 HydrophobicContact CD1-CD1 3.79Å; F964-Y987 HydrophobicContact CD1-CD2 4.07Å; F964-Y987 HydrophobicContact CD1-CE1 4.31Å; F964-Y987 AromaticContact CD1-CG 3.66Å; F964-Y987 HydrophobicContact CD1-CG 3.66Å; F964-Y987 AromaticContact CD2-CD2 3.77Å; F964-Y987 HydrophobicContact CD2-CD2 3.77Å; F964-Y987 HydrophobicContact CD2-CE2 4.14Å; F964-Y987 HydrophobicContact CD2-CG 4.18Å; F964-Y987 VanDerWaalsContact CE1-CB 3.49Å; F964-Y987 HydrophobicContact CE1-CD1 4.25Å; F964-Y987 HydrophobicContact CE1-CD2 4.36Å; F964-Y987 AromaticContact CE1-CG 3.81Å; F964-Y987 HydrophobicContact CE1-CG 3.81Å; F964-Y987 HydrophobicContact CE2-CD2 4.08Å; F964-Y987 HydrophobicContact CE2-CG 4.31Å; F964-Y987 HydrophobicContact CG-CD1 4.17Å; F964-Y987 AromaticContact CG-CD2 3.79Å; F964-Y987 HydrophobicContact CG-CD2 3.79Å; F964-Y987 HydrophobicContact CG-CE1 4.37Å; F964-Y987 AromaticContact CG-CE2 4Å; F964-Y987 HydrophobicContact CG-CE2 4Å; F964-Y987 AromaticContact CG-CG 3.88Å; F964-Y987 HydrophobicContact CG-CG 3.88Å; F964-Y987 HydrophobicContact CZ-CD2 4.39Å; F964-Y987 HydrophobicContact CZ-CG 4.16Å; Y987-V989 HydrophobicContact CD2-CG2 4.28Å; Y987-V989 HydrophobicContact CE1-CG2 4.18Å; Y987-V989 HydrophobicContact CE2-CG2 3.7Å; Y987-A990 HydrophobicContact CD1-CB 3.98Å; Y987-A990 HydrophobicContact CE1-CB 3.84Å; Y987-Y996 HydrophobicContact CE1-CE1 4.07Å
988	E	81.3	Confident	86.4	Confident	115 Å²	115	57.3 Å²	57.3	54%	0.537	30%	0.296	S	S	.	.			trans	-92.1	-3	-165.4	-60	174.5	111	0	0	114.4	T941 T942 M986	T941-E988 CarbonylContact O-C 3.6Å; T941-E988 VanDerWaalsContact O-O 3.09Å; T942-E988 HydrophobicContact CG2-CG 4.18Å; M986-E988 HydrophobicContact CE-CG 3.82Å; M986-E988 VanDerWaalsContact CE-OE1 3.28Å; M986-E988 WeakPolarHBondContact CE-OE1 2.89Å; M986-E988 HydrophobicContact CG-CG 4.11Å
989	V	83.2	Confident	86.9	Confident	103 Å²	103	57.1 Å²	57.1	62%	0.624	30%	0.295	S	S	*	.			trans	-110.6	23.5	-172.6	-61.1	0	0	0	0	113.4	Y987	Y987-V989 HydrophobicContact CD2-CG2 4.28Å; Y987-V989 HydrophobicContact CE1-CG2 4.18Å; Y987-V989 HydrophobicContact CE2-CG2 3.7Å
990	A	85	Confident	87.4	Confident	5 Å²	5	54.8 Å²	54.8	4%	0.041	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-72.1	149.2	176.7	0	0	0	0	0	111.9	T941 I943 Y987 Y996 T1018	T941-A990 VanDerWaalsContact CA-O 3.26Å; T941-A990 WeakPolarHBondContact CA-O 3.18Å; T941-A990 WeakPolarHBondContact CB-O 3.4Å; T941-A990 WeakPolarHBondContact O-CA 2.98Å; T941-A990 VanDerWaalsContact O-CB 3.28Å; T941-A990 WeakPolarHBondContact O-CB 3.11Å; T941-A990 PolarHBondContact O-N 2.9Å; I943-A990 HydrophobicContact CD1-CB 3.99Å; I943-A990 HydrophobicContact CG1-CB 4.27Å; Y987-A990 HydrophobicContact CD1-CB 3.98Å; Y987-A990 HydrophobicContact CE1-CB 3.84Å; A990-Y996 WeakPolarHBondContact CA-OH 3.33Å; A990-Y996 HydrophobicContact CB-CD2 4.5Å; A990-Y996 HydrophobicContact CB-CE2 3.77Å; A990-T1018 HydrophobicContact CB-CG2 3.61Å
991	K	86.6	Confident	88	Confident	92 Å²	92	49.2 Å²	49.2	40%	0.4	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-78.8	141.2	172.4	-65.9	178.7	-172.1	168.2	0	109.7	E971 T994 Y996 T1018	E971-K991 IonicContact OE1-NZ 3.58Å; E971-K991 PolarHBondContact OE1-NZ 2.72Å; E971-K991 IonicContact OE2-NZ 3.87Å; K991-T994 WeakPolarHBondContact CB-OG1 3.29Å; K991-T994 VanDerWaalsContact O-CB 3.31Å; K991-T994 WeakPolarHBondContact O-CB 3.1Å; K991-T994 PolarHBondContact O-OG1 3.03Å; K991-Y996 PolarHBondContact N-OH 2.93Å; K991-T1018 WeakPolarHBondContact O-CB 3.16Å; K991-T1018 PolarHBondContact O-OG1 3.15Å
992	P	88.4	Confident	88.4	Confident	40 Å²	40	44.5 Å²	44.5	26%	0.26	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	157.4	174.5	-27.6	36.9	0	0	0	115.2	S940 T941 T994 T1018 I1021	S940-P992 WeakPolarHBondContact O-CA 3.23Å; S940-P992 WeakPolarHBondContact O-CG 3.35Å; T941-P992 HydrophobicContact CG2-CG 4.22Å; P992-T994 PolarHBondContact O-N 3.03Å; P992-T994 PolarHBondContact O-OG1 3.42Å; P992-T1018 VanDerWaalsContact C-OG1 3.31Å; P992-I1021 HydrophobicContact CB-CD1 4.37Å; P992-I1021 HydrophobicContact CB-CG1 3.71Å; P992-I1021 HydrophobicContact CG-CD1 4.01Å; P992-I1021 HydrophobicContact CG-CG1 3.65Å
993	S	87.9	Confident	88.7	Confident	54 Å²	54	38 Å²	38	38%	0.378	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	16.1	179.4	-59.7	0	0	0	0	116.1	R1017 T1018 W1019 P1020	S993-R1017 VanDerWaalsContact O-CZ 3.25Å; S993-R1017 PolarHBondContact O-NE 3.38Å; S993-R1017 PolarHBondContact O-NH2 2.89Å; S993-T1018 WeakPolarHBondContact CA-O 3.4Å; S993-T1018 PolarHBondContact N-OG1 2.94Å; S993-T1018 VanDerWaalsContact N-OG1 3.16Å; S993-W1019 PolarHBondContact N-O 3.14Å; S993-P1020 VanDerWaalsContact OG-CA 3.29Å; S993-P1020 WeakPolarHBondContact OG-CA 3.31Å
994	T	89	Confident	88.7	Confident	13 Å²	13	35.7 Å²	35.7	8%	0.08	19%	0.189	C	C	.	.			trans	-106.3	141.1	-165.7	-62.8	0	0	0	0	110.6	R966 K991 P992 Y996 R1017 T1018	R966-T994 HydrophobicContact CG-CG2 4.07Å; K991-T994 WeakPolarHBondContact CB-OG1 3.29Å; K991-T994 VanDerWaalsContact O-CB 3.31Å; K991-T994 WeakPolarHBondContact O-CB 3.1Å; K991-T994 PolarHBondContact O-OG1 3.03Å; P992-T994 PolarHBondContact O-N 3.03Å; P992-T994 PolarHBondContact O-OG1 3.42Å; T994-Y996 HydrophobicContact CG2-CD2 3.94Å; T994-Y996 HydrophobicContact CG2-CE2 3.49Å; T994-Y996 VanDerWaalsContact CG2-CE2 3.49Å; T994-R1017 WeakPolarHBondContact O-CA 3.18Å; T994-T1018 PolarHBondContact N-OG1 3.02Å; T994-T1018 PolarHBondContact O-N 2.87Å; T994-T1018 PolarHBondContact O-OG1 2.91Å
995	N	91.3	Very high	88.3	Confident	38 Å²	38	34.7 Å²	34.7	20%	0.203	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.4	175.7	-58.8	-59.3	0	0	0	110.5	L967 D968 R1017	L967-N995 HydrophobicContact CB-CB 4.13Å; L967-N995 HydrophobicContact CD1-CB 4.49Å; L967-N995 PolarHBondContact N-O 2.9Å; D968-N995 PolarHBondContact OD1-ND2 3.17Å; D968-N995 PolarHBondContact OD2-N 2.55Å; N995-R1017 VanDerWaalsContact OD1-CD 3.28Å; N995-R1017 WeakPolarHBondContact OD1-CD 3.38Å; N995-R1017 VanDerWaalsContact OD1-CG 3.31Å; N995-R1017 WeakPolarHBondContact OD1-CG 3.44Å
996	Y	90.5	Very high	87.7	Confident	5 Å²	5	32.7 Å²	32.7	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.9	175.9	-76.5	-98.8	0	0	0	111.1	I943 K965 R966 Y987 A990 K991 T994 V1015 V1016 T1018	I943-Y996 HydrophobicContact CD1-CD1 4.23Å; I943-Y996 HydrophobicContact CD1-CD2 3.77Å; I943-Y996 HydrophobicContact CD1-CE2 4.4Å; I943-Y996 HydrophobicContact CD1-CG 3.68Å; K965-Y996 CarbonylContact O-C 3.32Å; K965-Y996 WeakPolarHBondContact O-CA 3.13Å; R966-Y996 HydrophobicContact CG-CD1 3.83Å; R966-Y996 HydrophobicContact CG-CE1 3.31Å; R966-Y996 HydrophobicContact CG-CE2 4.15Å; R966-Y996 HydrophobicContact CG-CG 4.44Å; R966-Y996 VanDerWaalsContact CG-CZ 3.48Å; Y987-Y996 HydrophobicContact CE1-CE1 4.07Å; A990-Y996 WeakPolarHBondContact CA-OH 3.33Å; A990-Y996 HydrophobicContact CB-CD2 4.5Å; A990-Y996 HydrophobicContact CB-CE2 3.77Å; K991-Y996 PolarHBondContact N-OH 2.93Å; T994-Y996 HydrophobicContact CG2-CD2 3.94Å; T994-Y996 HydrophobicContact CG2-CE2 3.49Å; T994-Y996 VanDerWaalsContact CG2-CE2 3.49Å; Y996-V1015 CarbonylContact O-C 3.54Å; Y996-V1015 WeakPolarHBondContact O-CA 3.15Å; Y996-V1016 PolarHBondContact N-O 2.93Å; Y996-V1016 PolarHBondContact O-N 2.84Å; Y996-T1018 HydrophobicContact CD2-CG2 4.29Å; Y996-T1018 HydrophobicContact CE2-CG2 4.23Å
997	E	93.5	Very high	87.6	Confident	47 Å²	47	32 Å²	32	22%	0.22	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.9	158.5	163.5	171.6	-91.9	0	0	107.8	K965 L967 V1015	K965-E997 HydrophobicContact CB-CB 4.17Å; K965-E997 WeakPolarHBondContact CB-O 3.29Å; K965-E997 HydrophobicContact CD-CB 4.18Å; K965-E997 HydrophobicContact CD-CG 4.24Å; K965-E997 WeakPolarHBondContact CD-OE2 3.45Å; K965-E997 WeakPolarHBondContact CE-OE2 3.36Å; K965-E997 PolarHBondContact N-O 3.04Å; K965-E997 IonicContact NZ-OE2 3.17Å; K965-E997 PolarHBondContact NZ-OE2 3.37Å; K965-E997 PolarHBondContact O-N 2.97Å; L967-E997 HydrophobicContact CD1-CB 4.17Å; L967-E997 HydrophobicContact CD2-CB 3.75Å; L967-E997 HydrophobicContact CG-CB 3.97Å; E997-V1015 HydrophobicContact CB-CG2 4.41Å
998	V	93	Very high	87.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.1	177.9	-176	0	0	0	0	108.8	V935 I943 S963 F964 S1013 A1014 V1016	V935-V998 HydrophobicContact CG1-CB 3.99Å; V935-V998 HydrophobicContact CG1-CG1 4.41Å; V935-V998 HydrophobicContact CG1-CG2 3.86Å; V935-V998 HydrophobicContact CG2-CB 4.22Å; V935-V998 HydrophobicContact CG2-CG1 4.34Å; I943-V998 HydrophobicContact CG2-CG2 4.38Å; S963-V998 CarbonylContact O-C 3.42Å; S963-V998 VanDerWaalsContact O-CA 3.29Å; S963-V998 WeakPolarHBondContact O-CA 3.05Å; F964-V998 HydrophobicContact CD1-CB 4.34Å; F964-V998 HydrophobicContact CD1-CG1 3.88Å; F964-V998 HydrophobicContact CD1-CG2 3.56Å; F964-V998 HydrophobicContact CE1-CB 4.31Å; F964-V998 HydrophobicContact CE1-CG1 3.5Å; F964-V998 HydrophobicContact CE1-CG2 3.78Å; F964-V998 HydrophobicContact CZ-CG1 3.86Å; V998-S1013 WeakPolarHBondContact O-CA 3.31Å; V998-A1014 PolarHBondContact N-O 3.25Å; V998-A1014 PolarHBondContact O-N 3.03Å; V998-V1016 HydrophobicContact CG2-CG1 4.17Å
999	S	94.6	Very high	87.9	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.8	-178.3	-48.5	0	0	0	0	111	L962 S963 S1012 S1013	L962-S999 CarbonylContact C-O 3.26Å; L962-S999 WeakPolarHBondContact CA-O 3.32Å; S963-S999 PolarHBondContact N-O 3.39Å; S963-S999 PolarHBondContact O-N 2.9Å; S963-S999 WeakPolarHBondContact OG-CB 3.1Å; S999-S1012 CarbonylContact C-O 3.57Å; S999-S1012 VanDerWaalsContact CA-O 3.28Å; S999-S1012 WeakPolarHBondContact CA-O 3.49Å; S999-S1013 WeakPolarHBondContact CB-OG 3.31Å; S999-S1013 PolarHBondContact OG-OG 2.8Å
1000	V	94.2	Very high	88.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.7	178.9	-172.5	0	0	0	0	110	V930 L933 W947 F961 L962 S1012	V930-V1000 HydrophobicContact CG1-CG1 4.2Å; V930-V1000 HydrophobicContact CG2-CB 3.87Å; V930-V1000 HydrophobicContact CG2-CG1 3.94Å; L933-V1000 HydrophobicContact CD1-CB 4.35Å; L933-V1000 HydrophobicContact CD1-CG2 3.6Å; L933-V1000 HydrophobicContact CD2-CB 4.46Å; L933-V1000 HydrophobicContact CD2-CG2 4.13Å; W947-V1000 HydrophobicContact CD2-CG1 3.82Å; W947-V1000 HydrophobicContact CE3-CG1 4.22Å; W947-V1000 HydrophobicContact CE3-CG2 4.29Å; W947-V1000 HydrophobicContact CG-CG1 4.11Å; W947-V1000 HydrophobicContact CZ2-CG1 4.33Å; F961-V1000 WeakPolarHBondContact O-CA 3.03Å; L962-V1000 HydrophobicContact CD2-CG2 4.1Å; L962-V1000 HydrophobicContact CG-CG1 4.21Å; L962-V1000 HydrophobicContact CG-CG2 3.94Å; V1000-S1012 PolarHBondContact N-O 2.81Å; V1000-S1012 PolarHBondContact O-N 3Å
1001	W	95.1	Very high	88.5	Confident	7 Å²	7	34.5 Å²	34.5	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.6	177.8	60	111.6	0	0	0	112.4	Y960 F961 E975 E1008 G1009 E1010 K1011	Y960-W1001 CarbonylContact C-O 3.6Å; Y960-W1001 WeakPolarHBondContact CA-O 3.25Å; F961-W1001 HydrophobicContact CB-CD2 3.6Å; F961-W1001 HydrophobicContact CB-CE3 4.08Å; F961-W1001 HydrophobicContact CB-CG 4.12Å; F961-W1001 HydrophobicContact CB-CH2 3.94Å; F961-W1001 HydrophobicContact CB-CZ2 3.48Å; F961-W1001 VanDerWaalsContact CB-CZ2 3.48Å; F961-W1001 HydrophobicContact CB-CZ3 4.22Å; F961-W1001 AromaticContact CD2-NE1 3.76Å; F961-W1001 AromaticContact CG-CE2 3.97Å; F961-W1001 HydrophobicContact CG-CZ2 4.12Å; F961-W1001 AromaticContact CG-NE1 3.87Å; F961-W1001 PolarHBondContact N-O 3.38Å; F961-W1001 PolarHBondContact O-N 2.87Å; E975-W1001 HydrophobicContact CG-CH2 4.49Å; W1001-E1008 PolarHBondContact NE1-OE2 2.85Å; W1001-G1009 WeakPolarHBondContact CB-O 2.95Å; W1001-E1010 VanDerWaalsContact CB-O 3.23Å; W1001-E1010 WeakPolarHBondContact CB-O 3.48Å; W1001-K1011 HydrophobicContact CB-CG 4.15Å; W1001-K1011 HydrophobicContact CD2-CD 4.13Å; W1001-K1011 HydrophobicContact CD2-CG 3.77Å; W1001-K1011 HydrophobicContact CE3-CD 3.69Å; W1001-K1011 HydrophobicContact CE3-CG 3.65Å; W1001-K1011 HydrophobicContact CG-CG 4.04Å; W1001-K1011 HydrophobicContact CH2-CD 4.32Å; W1001-K1011 VanDerWaalsContact CH2-CE 3.43Å; W1001-K1011 HydrophobicContact CZ3-CD 3.81Å; W1001-K1011 VanDerWaalsContact CZ3-CE 3.44Å; W1001-K1011 HydrophobicContact CZ3-CG 4.31Å
1002	G	90.8	Very high	88.9	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	164.7	-179	0	0	0	0	0	114.3	G1009	G1002-G1009 PolarHBondContact O-N 3Å
1003	E	89.5	Confident	89.1	Confident	33 Å²	33	32.1 Å²	32.1	15%	0.154	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.1	174.5	-170.1	-152.2	154	0	0	111.5	L957 R958 G959 F961 W977 G1007	L957-E1003 CarbonylContact C-O 3.57Å; L957-E1003 WeakPolarHBondContact CA-O 3.21Å; R958-E1003 HydrophobicContact CB-CB 4.5Å; R958-E1003 VanDerWaalsContact CD-OE1 3.29Å; R958-E1003 WeakPolarHBondContact CD-OE1 3.31Å; R958-E1003 PolarHBondContact N-O 2.78Å; R958-E1003 IonicContact NH1-OE1 3.61Å; R958-E1003 PolarHBondContact NH1-OE1 3.28Å; G959-E1003 PolarHBondContact O-N 2.95Å; F961-E1003 HydrophobicContact CE2-CB 4.18Å; F961-E1003 HydrophobicContact CE2-CG 4.17Å; W977-E1003 PolarHBondContact NE1-OE2 3.23Å; E1003-G1007 WeakPolarHBondContact CA-O 3.18Å
1004	T	87.1	Confident	89.3	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	19%	0.189	C	C	.	.			trans	-130.4	-169.9	175.3	56.7	0	0	0	0	112	G925 P927 P953 L957 R958 G1006 G1007	G925-T1004 PolarHBondContact O-OG1 2.75Å; P927-T1004 HydrophobicContact CG-CG2 3.52Å; P953-T1004 VanDerWaalsContact O-CG2 3.31Å; P953-T1004 WeakPolarHBondContact O-CG2 3.26Å; L957-T1004 HydrophobicContact CD2-CG2 4.44Å; R958-T1004 PolarHBondContact NE-O 3.27Å; R958-T1004 PolarHBondContact NH1-O 2.8Å; T1004-G1006 PolarHBondContact O-N 2.66Å; T1004-G1006 PolarHBondContact OG1-N 2.84Å; T1004-G1007 PolarHBondContact N-O 2.73Å; T1004-G1007 PolarHBondContact OG1-N 2.82Å
1005	G	76.7	Confident	89.4	Confident	40 Å²	40	34.5 Å²	34.5	41%	0.412	21%	0.211	S	C	.	.	S	Bend	trans	-65.5	-20.2	162.4	0	0	0	0	0	114.7	E924	E924-G1005 WeakPolarHBondContact OE2-CA 3.5Å; E924-G1005 PolarHBondContact OE2-N 2.65Å
1006	G	73.1	Confident	89.5	Confident	35 Å²	35	33.3 Å²	33.3	36%	0.361	21%	0.206	S	C	.	.	S	Bend	trans	-83.8	-19.7	178.1	0	0	0	0	0	114.6	E924 T1004	E924-G1006 WeakPolarHBondContact O-CA 3.45Å; T1004-G1006 PolarHBondContact O-N 2.66Å; T1004-G1006 PolarHBondContact OG1-N 2.84Å
1007	G	80.8	Confident	89.5	Confident	27 Å²	27	39.9 Å²	39.9	28%	0.278	23%	0.23	S	C	.	.			trans	135.4	-156.8	177.1	0	0	0	0	0	113.5	E1003 T1004	E1003-G1007 WeakPolarHBondContact CA-O 3.18Å; T1004-G1007 PolarHBondContact N-O 2.73Å; T1004-G1007 PolarHBondContact OG1-N 2.82Å
1008	E	89.3	Confident	89.3	Confident	71 Å²	71	37.8 Å²	37.8	33%	0.332	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-88.4	138.2	177.1	-70.1	-179.5	-135.4	0	0	110.9	R88 T926 F961 W1001	R88-E1008 IonicContact CZ-OE1 2.71Å; R88-E1008 IonicContact NH1-OE1 2.68Å; R88-E1008 PolarHBondContact NH1-OE1 2.82Å; R88-E1008 IonicContact NH2-OE1 2.69Å; R88-E1008 PolarHBondContact NH2-OE1 3.14Å; T926-E1008 WeakPolarHBondContact CB-O 3.17Å; T926-E1008 WeakPolarHBondContact CG2-O 3.12Å; F961-E1008 HydrophobicContact CD2-CG 4.02Å; F961-E1008 HydrophobicContact CE2-CG 3.71Å; W1001-E1008 PolarHBondContact NE1-OE2 2.85Å
1009	G	86.6	Confident	89	Confident	13 Å²	13	41.7 Å²	41.7	13%	0.134	24%	0.235	C	C	.	.			trans	-89.8	-175.7	-176.9	0	0	0	0	0	114.8	P927 W1001 G1002	P927-G1009 WeakPolarHBondContact O-CA 3.1Å; W1001-G1009 WeakPolarHBondContact CB-O 2.95Å; G1002-G1009 PolarHBondContact O-N 3Å
1010	E	88.7	Confident	88.7	Confident	119 Å²	119	44.2 Å²	44.2	56%	0.556	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-67.2	140.7	177.2	176.1	-175.8	-151.1	0	0	112.5	P927 A929 W1001	P927-E1010 PolarHBondContact O-N 2.84Å; P927-E1010 VanDerWaalsContact O-N 3.13Å; A929-E1010 HydrophobicContact CB-CB 4.4Å; A929-E1010 HydrophobicContact CB-CG 4Å; A929-E1010 WeakPolarHBondContact CB-OE2 3.24Å; A929-E1010 PolarHBondContact N-OE2 3.42Å; W1001-E1010 VanDerWaalsContact CB-O 3.23Å; W1001-E1010 WeakPolarHBondContact CB-O 3.48Å
1011	K	92.6	Very high	88.2	Confident	87 Å²	87	49.3 Å²	49.3	38%	0.378	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-82.1	116.2	178.4	-63	-160.7	178.4	-163.3	0	111.7	E973 W1001	E973-K1011 IonicContact OE2-NZ 3.72Å; E973-K1011 PolarHBondContact OE2-NZ 3.17Å; W1001-K1011 HydrophobicContact CB-CG 4.15Å; W1001-K1011 HydrophobicContact CD2-CD 4.13Å; W1001-K1011 HydrophobicContact CD2-CG 3.77Å; W1001-K1011 HydrophobicContact CE3-CD 3.69Å; W1001-K1011 HydrophobicContact CE3-CG 3.65Å; W1001-K1011 HydrophobicContact CG-CG 4.04Å; W1001-K1011 HydrophobicContact CH2-CD 4.32Å; W1001-K1011 VanDerWaalsContact CH2-CE 3.43Å; W1001-K1011 HydrophobicContact CZ3-CD 3.81Å; W1001-K1011 VanDerWaalsContact CZ3-CE 3.44Å; W1001-K1011 HydrophobicContact CZ3-CG 4.31Å
1012	S	94	Very high	87.8	Confident	18 Å²	18	52.3 Å²	52.3	13%	0.126	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.3	158.6	-54.1	0	0	0	0	108.7	A929 V930 L933 S999 V1000	A929-S1012 VanDerWaalsContact CB-OG 3.3Å; A929-S1012 WeakPolarHBondContact CB-OG 3.37Å; V930-S1012 WeakPolarHBondContact CG2-OG 3.42Å; V930-S1012 PolarHBondContact N-OG 2.93Å; V930-S1012 PolarHBondContact O-OG 3.15Å; L933-S1012 VanDerWaalsContact CD2-O 3.26Å; L933-S1012 WeakPolarHBondContact CD2-O 3.3Å; S999-S1012 CarbonylContact C-O 3.57Å; S999-S1012 VanDerWaalsContact CA-O 3.28Å; S999-S1012 WeakPolarHBondContact CA-O 3.49Å; V1000-S1012 PolarHBondContact N-O 2.81Å; V1000-S1012 PolarHBondContact O-N 3Å
1013	S	93.3	Very high	87.7	Confident	64 Å²	64	56.7 Å²	56.7	45%	0.448	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.4	-178.9	-57	0	0	0	0	112	V998 S999	V998-S1013 WeakPolarHBondContact O-CA 3.31Å; S999-S1013 WeakPolarHBondContact CB-OG 3.31Å; S999-S1013 PolarHBondContact OG-OG 2.8Å
1014	A	91.1	Very high	87.6	Confident	26 Å²	26	55.3 Å²	55.3	22%	0.215	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.8	175.7	0	0	0	0	0	110.6	L933 V935 V998	L933-A1014 HydrophobicContact CD2-CB 4.09Å; L933-A1014 HydrophobicContact CG-CB 4.26Å; V935-A1014 HydrophobicContact CB-CB 4.2Å; V935-A1014 HydrophobicContact CG2-CB 3.85Å; V998-A1014 PolarHBondContact N-O 3.25Å; V998-A1014 PolarHBondContact O-N 3.03Å
1015	V	92.2	Very high	87.6	Confident	92 Å²	92	56.2 Å²	56.2	56%	0.558	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.3	179.3	-178.2	0	0	0	0	110.2	L967 Y996 E997	L967-V1015 HydrophobicContact CD1-CB 4.42Å; L967-V1015 HydrophobicContact CD1-CG1 3.6Å; L967-V1015 HydrophobicContact CD1-CG2 3.88Å; Y996-V1015 CarbonylContact O-C 3.54Å; Y996-V1015 WeakPolarHBondContact O-CA 3.15Å; E997-V1015 HydrophobicContact CB-CG2 4.41Å
1016	V	91.8	Very high	88.1	Confident	13 Å²	13	58.7 Å²	58.7	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.4	177.1	68.8	0	0	0	0	109.8	V935 I943 Y996 V998	V935-V1016 HydrophobicContact CG1-CB 3.83Å; V935-V1016 HydrophobicContact CG1-CG1 3.67Å; V935-V1016 HydrophobicContact CG1-CG2 4.37Å; I943-V1016 HydrophobicContact CD1-CG1 3.71Å; I943-V1016 HydrophobicContact CG1-CG1 3.99Å; I943-V1016 HydrophobicContact CG2-CG1 3.93Å; Y996-V1016 PolarHBondContact N-O 2.93Å; Y996-V1016 PolarHBondContact O-N 2.84Å; V998-V1016 HydrophobicContact CG2-CG1 4.17Å
1017	R	91.9	Very high	88.8	Confident	142 Å²	142	57.2 Å²	57.2	54%	0.536	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.5	168.8	-163.5	176.1	-169.7	144.2	9.1	109.8	S937 S993 T994 N995	S937-R1017 VanDerWaalsContact CB-O 3.3Å; S937-R1017 WeakPolarHBondContact CB-O 3.38Å; S937-R1017 PolarHBondContact OG-O 3.06Å; S993-R1017 VanDerWaalsContact O-CZ 3.25Å; S993-R1017 PolarHBondContact O-NE 3.38Å; S993-R1017 PolarHBondContact O-NH2 2.89Å; T994-R1017 WeakPolarHBondContact O-CA 3.18Å; N995-R1017 VanDerWaalsContact OD1-CD 3.28Å; N995-R1017 WeakPolarHBondContact OD1-CD 3.38Å; N995-R1017 VanDerWaalsContact OD1-CG 3.31Å; N995-R1017 WeakPolarHBondContact OD1-CG 3.44Å
1018	T	89.1	Confident	89.1	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.025	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-68.2	150.6	170.2	49.7	0	0	0	0	111	S940 I943 A990 K991 P992 S993 T994 Y996	S940-T1018 WeakPolarHBondContact O-CB 3.29Å; I943-T1018 HydrophobicContact CD1-CG2 4.16Å; I943-T1018 HydrophobicContact CG1-CG2 4.02Å; A990-T1018 HydrophobicContact CB-CG2 3.61Å; K991-T1018 WeakPolarHBondContact O-CB 3.16Å; K991-T1018 PolarHBondContact O-OG1 3.15Å; P992-T1018 VanDerWaalsContact C-OG1 3.31Å; S993-T1018 WeakPolarHBondContact CA-O 3.4Å; S993-T1018 PolarHBondContact N-OG1 2.94Å; S993-T1018 VanDerWaalsContact N-OG1 3.16Å; T994-T1018 PolarHBondContact N-OG1 3.02Å; T994-T1018 PolarHBondContact O-N 2.87Å; T994-T1018 PolarHBondContact O-OG1 2.91Å; Y996-T1018 HydrophobicContact CD2-CG2 4.29Å; Y996-T1018 HydrophobicContact CE2-CG2 4.23Å
1019	W	87.5	Confident	89.2	Confident	81 Å²	81	57 Å²	57	31%	0.307	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-66.8	154.7	177.5	-69	88.1	0	0	0	111.3	S937 G939 S940 S993 M1050	S937-W1019 PolarHBondContact O-NE1 2.87Å; S937-W1019 PolarHBondContact OG-NE1 2.89Å; G939-W1019 PolarHBondContact O-N 2.88Å; S940-W1019 WeakPolarHBondContact CA-O 3.15Å; S993-W1019 PolarHBondContact N-O 3.14Å; W1019-M1050 HydrophobicContact CB-CB 4.22Å; W1019-M1050 HydrophobicContact CB-CG 3.81Å; W1019-M1050 HydrophobicContact CB-SD 3.5Å; W1019-M1050 VanDerWaalsContact CB-SD 3.5Å; W1019-M1050 HydrophobicContact CD2-CB 3.56Å; W1019-M1050 HydrophobicContact CD2-CG 3.94Å; W1019-M1050 HydrophobicContact CE3-CB 3.8Å; W1019-M1050 HydrophobicContact CG-CB 3.74Å; W1019-M1050 HydrophobicContact CG-CG 3.55Å; W1019-M1050 HydrophobicContact CG-SD 3.97Å; W1019-M1050 HydrophobicContact CZ3-CB 4.39Å
1020	P	87	Confident	89.4	Confident	56 Å²	56	64.1 Å²	64.1	36%	0.364	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-63.3	158.4	163.2	30.2	-36	0	0	0	110.8	S993 Q1022	S993-P1020 VanDerWaalsContact OG-CA 3.29Å; S993-P1020 WeakPolarHBondContact OG-CA 3.31Å; P1020-Q1022 PolarHBondContact O-N 3.03Å
1021	I	84.7	Confident	89.5	Confident	106 Å²	106	59.7 Å²	59.7	54%	0.544	30%	0.299	S	S	.	.	S	Bend	trans	-67.6	101.8	171.8	-54.6	176.6	0	0	0	108.5	P992	P992-I1021 HydrophobicContact CB-CD1 4.37Å; P992-I1021 HydrophobicContact CB-CG1 3.71Å; P992-I1021 HydrophobicContact CG-CD1 4.01Å; P992-I1021 HydrophobicContact CG-CG1 3.65Å
1022	Q	85.7	Confident	89.3	Confident	70 Å²	70	61.7 Å²	61.7	33%	0.327	31%	0.31	S	S	.	.			trans	-142.3	171.7	178	67.2	-174.4	9.9	0	0	109.3	P1020 M1050 R1102	P1020-Q1022 PolarHBondContact O-N 3.03Å; Q1022-M1050 HydrophobicContact CG-CB 4.47Å; Q1022-M1050 HydrophobicContact CG-CE 4.01Å; Q1022-M1050 HydrophobicContact CG-SD 4.2Å; Q1022-M1050 WeakPolarHBondContact O-CE 3.46Å; Q1022-R1102 VanDerWaalsContact C-CD 3.49Å; Q1022-R1102 WeakPolarHBondContact O-CD 3.34Å
1023	D	88.1	Confident	89	Confident	92 Å²	92	64.7 Å²	64.7	49%	0.492	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-73.3	142	175.8	-56.7	-51.8	0	0	0	110.4	R1102	D1023-R1102 VanDerWaalsContact CG-NH1 3.34Å; D1023-R1102 WeakPolarHBondContact OD1-CB 3.32Å; D1023-R1102 VanDerWaalsContact OD1-CD 3.28Å; D1023-R1102 WeakPolarHBondContact OD1-CD 3.14Å; D1023-R1102 WeakPolarHBondContact OD1-CG 3.42Å; D1023-R1102 IonicContact OD1-CZ 3.03Å; D1023-R1102 IonicContact OD1-NE 2.78Å; D1023-R1102 IonicContact OD1-NH1 3.84Å; D1023-R1102 PolarHBondContact OD1-NH1 3.37Å; D1023-R1102 IonicContact OD2-NH1 2.69Å; D1023-R1102 PolarHBondContact OD2-NH1 2.96Å
1024	P	88.7	Confident	88.3	Confident	4 Å²	4	65 Å²	65	3%	0.026	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-65.4	150	-178.6	27.3	-33.6	0	0	0	110.8	M1050 S1097 D1099 T1104	P1024-M1050 CarbonylContact C-O 3.58Å; P1024-M1050 WeakPolarHBondContact CA-O 3.29Å; P1024-M1050 HydrophobicContact CB-CE 4.14Å; P1024-S1097 WeakPolarHBondContact CG-O 3.46Å; P1024-D1099 HydrophobicContact CB-CB 4.48Å; P1024-T1104 WeakPolarHBondContact O-CB 3.35Å; P1024-T1104 WeakPolarHBondContact O-CG2 3.09Å; P1024-T1104 PolarHBondContact O-OG1 3.25Å
1025	A	87.4	Confident	87.6	Confident	21 Å²	21	64.7 Å²	64.7	17%	0.174	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-68.9	152.9	176.4	0	0	0	0	0	111.1	P1027 M1050 S1097	A1025-P1027 WeakPolarHBondContact O-CD 3.34Å; A1025-M1050 WeakPolarHBondContact CB-O 3.26Å; A1025-M1050 PolarHBondContact N-O 3.17Å; A1025-S1097 PolarHBondContact O-OG 3.23Å
1026	K	87.2	Confident	87	Confident	91 Å²	91	61.5 Å²	61.5	40%	0.396	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-68.9	120.7	-178.9	-170.4	172.8	-167.4	-172	0	110.4	T1104 Q1105 D1107	K1026-T1104 HydrophobicContact CB-CG2 4.09Å; K1026-Q1105 WeakPolarHBondContact CE-O 3.43Å; K1026-Q1105 WeakPolarHBondContact CG-O 3.34Å; K1026-D1107 WeakPolarHBondContact CE-OD2 3.49Å; K1026-D1107 IonicContact NZ-OD1 3.94Å; K1026-D1107 PolarHBondContact NZ-OD1 2.78Å; K1026-D1107 IonicContact NZ-OD2 3.15Å; K1026-D1107 PolarHBondContact NZ-OD2 2.64Å
1027	P	87.5	Confident	86.7	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.026	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-75.2	141.2	175.1	28.8	-29.6	0	0	0	110.5	A1025 W1043 F1055 V1095 S1106	A1025-P1027 WeakPolarHBondContact O-CD 3.34Å; P1027-W1043 HydrophobicContact CB-CB 4.49Å; P1027-F1055 HydrophobicContact CB-CE1 4.43Å; P1027-V1095 HydrophobicContact CB-CG1 4.26Å; P1027-V1095 HydrophobicContact CG-CB 4.05Å; P1027-V1095 HydrophobicContact CG-CG1 3.71Å; P1027-S1106 VanDerWaalsContact O-CB 3.27Å; P1027-S1106 WeakPolarHBondContact O-CB 3.3Å
1028	D	87.6	Confident	86.5	Confident	91 Å²	91	58 Å²	58	49%	0.487	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	145.9	164.4	-179.1	32.6	0	0	0	108.8	W1043 L1044	D1028-W1043 CarbonylContact O-C 3.59Å; D1028-W1043 WeakPolarHBondContact O-CA 3.47Å; D1028-W1043 VanDerWaalsContact O-CB 3.27Å; D1028-W1043 WeakPolarHBondContact O-CB 3.4Å; D1028-L1044 PolarHBondContact N-O 2.79Å; D1028-L1044 PolarHBondContact O-N 2.86Å
1029	M	90.8	Very high	86.5	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.02	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	164.3	-174.2	71.9	157.7	-142.3	0	0	114.1	V1041 T1042 W1043 V1093 V1095 S1106 Q1109	M1029-V1041 HydrophobicContact SD-CG1 4.41Å; M1029-T1042 CarbonylContact C-O 3.56Å; M1029-T1042 VanDerWaalsContact CA-O 3.29Å; M1029-T1042 WeakPolarHBondContact CA-O 3.26Å; M1029-W1043 HydrophobicContact CB-CB 4.03Å; M1029-V1093 HydrophobicContact CE-CG1 4.12Å; M1029-V1093 WeakPolarHBondContact CE-O 3.45Å; M1029-V1095 HydrophobicContact CB-CB 4.47Å; M1029-V1095 HydrophobicContact CB-CG2 3.81Å; M1029-V1095 HydrophobicContact CG-CG2 4.26Å; M1029-V1095 HydrophobicContact SD-CB 4.09Å; M1029-V1095 HydrophobicContact SD-CG2 3.51Å; M1029-V1095 VanDerWaalsContact SD-CG2 3.51Å; M1029-V1095 PolarHBondContact SD-N 3.05Å; M1029-V1095 VanDerWaalsContact SD-N 3.42Å; M1029-S1106 PolarHBondContact SD-OG 3.29Å; M1029-Q1109 HydrophobicContact CE-CB 3.52Å; M1029-Q1109 HydrophobicContact CE-CG 3.59Å; M1029-Q1109 PolarHBondContact O-NE2 3.03Å
1030	R	90.3	Very high	86.7	Confident	161 Å²	161	56 Å²	56	61%	0.608	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.2	175.6	-60.3	-174.6	-177.6	-160.7	-1.8	109.9	V1041 T1042	R1030-V1041 WeakPolarHBondContact O-CA 3.49Å; R1030-T1042 PolarHBondContact N-O 3.27Å; R1030-T1042 PolarHBondContact O-N 2.82Å
1031	V	90.5	Very high	87	Confident	26 Å²	26	53.4 Å²	53.4	16%	0.158	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.7	169	62.3	0	0	0	0	110.7	A1039 Q1040 V1041 V1093 Q1109 F1111	V1031-A1039 HydrophobicContact CG2-CB 3.84Å; V1031-Q1040 WeakPolarHBondContact CA-O 3.38Å; V1031-V1041 HydrophobicContact CB-CG2 4.19Å; V1031-V1041 HydrophobicContact CG2-CG2 3.87Å; V1031-V1093 HydrophobicContact CB-CG1 4.16Å; V1031-V1093 HydrophobicContact CG1-CG1 4.06Å; V1031-V1093 HydrophobicContact CG2-CG1 4.34Å; V1031-Q1109 HydrophobicContact CG1-CB 4.05Å; V1031-Q1109 VanDerWaalsContact N-OE1 3.17Å; V1031-F1111 HydrophobicContact CB-CD1 4.43Å; V1031-F1111 HydrophobicContact CG1-CB 4.1Å; V1031-F1111 HydrophobicContact CG1-CD1 3.93Å; V1031-F1111 HydrophobicContact CG1-CG 4.27Å; V1031-F1111 HydrophobicContact CG2-CD1 3.76Å; V1031-F1111 HydrophobicContact CG2-CE1 3.98Å; V1031-F1111 HydrophobicContact CG2-CG 4.07Å; V1031-F1111 HydrophobicContact CG2-CZ 4.46Å
1032	E	89.2	Confident	87.3	Confident	129 Å²	129	50.9 Å²	50.9	60%	0.603	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.5	177.5	-67.2	178.9	-173.6	0	0	109.3	S1034 A1039 Q1040	E1032-S1034 PolarHBondContact O-N 2.55Å; E1032-A1039 CarbonylContact O-C 3.49Å; E1032-A1039 WeakPolarHBondContact O-CA 3.39Å; E1032-Q1040 PolarHBondContact N-O 2.82Å; E1032-Q1040 PolarHBondContact O-N 2.79Å
1033	L	87.2	Confident	87.5	Confident	81 Å²	81	47.7 Å²	47.7	42%	0.424	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.8	178.1	-71.4	170	0	0	0	110.1	F1111 H1112 V1114	L1033-F1111 HydrophobicContact CD2-CD2 3.86Å; L1033-F1111 HydrophobicContact CD2-CE2 4.31Å; L1033-H1112 WeakPolarHBondContact CD1-O 3.19Å; L1033-V1114 HydrophobicContact CD1-CG1 4.24Å
1034	S	77.9	Confident	87.4	Confident	72 Å²	72	48 Å²	48	50%	0.503	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-1.5	175.3	-176.2	0	0	0	0	112.7	E1032 S1038	E1032-S1034 PolarHBondContact O-N 2.55Å; S1034-S1038 VanDerWaalsContact C-OG 3.29Å; S1034-S1038 PolarHBondContact N-O 2.89Å
1035	G	77.5	Confident	87	Confident	19 Å²	19	48.2 Å²	48.2	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-175.9	-179.3	0	0	0	0	0	111.5	N1037 S1038	G1035-N1037 PolarHBondContact O-N 2.85Å; G1035-S1038 PolarHBondContact N-O 3.06Å; G1035-S1038 PolarHBondContact N-OG 3.19Å
1036	S	78.7	Confident	86.6	Confident	25 Å²	25	48.3 Å²	48.3	18%	0.175	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-19	176.3	48.9	0	0	0	0	113.9	V1114	S1036-V1114 VanDerWaalsContact CB-O 3.27Å; S1036-V1114 WeakPolarHBondContact CB-O 3.48Å
1037	N	85.3	Confident	85.8	Confident	68 Å²	68	52.2 Å²	52.2	36%	0.364	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	18.2	-178.7	69.8	-24.4	0	0	0	113.3	G1035 R1083 D1084 L1085	G1035-N1037 PolarHBondContact O-N 2.85Å; N1037-R1083 CarbonylContact O-C 3.58Å; N1037-D1084 PolarHBondContact O-N 3.43Å; N1037-L1085 WeakPolarHBondContact CA-O 3.45Å; N1037-L1085 VanDerWaalsContact CB-O 3.25Å; N1037-L1085 WeakPolarHBondContact CB-O 3.39Å; N1037-L1085 PolarHBondContact O-N 3.04Å
1038	S	87.9	Confident	85.2	Confident	13 Å²	13	57.6 Å²	57.6	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146.1	-175.4	63.5	0	0	0	0	113.7	S1034 G1035 I1082	S1034-S1038 VanDerWaalsContact C-OG 3.29Å; S1034-S1038 PolarHBondContact N-O 2.89Å; G1035-S1038 PolarHBondContact N-O 3.06Å; G1035-S1038 PolarHBondContact N-OG 3.19Å; S1038-I1082 CarbonylContact C-O 3.47Å; S1038-I1082 WeakPolarHBondContact CA-O 3.27Å; S1038-I1082 VanDerWaalsContact CB-O 3.26Å; S1038-I1082 WeakPolarHBondContact CB-O 3.5Å
1039	A	90.1	Very high	84.8	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	124.7	-178.6	0	0	0	0	0	110.5	V1031 E1032 I1082 L1085 F1111	V1031-A1039 HydrophobicContact CG2-CB 3.84Å; E1032-A1039 CarbonylContact O-C 3.49Å; E1032-A1039 WeakPolarHBondContact O-CA 3.39Å; A1039-I1082 PolarHBondContact N-O 2.81Å; A1039-I1082 PolarHBondContact O-N 2.87Å; A1039-L1085 HydrophobicContact CB-CD1 3.93Å; A1039-F1111 HydrophobicContact CB-CD2 4.28Å; A1039-F1111 HydrophobicContact CB-CE1 4.49Å; A1039-F1111 HydrophobicContact CB-CE2 3.59Å; A1039-F1111 HydrophobicContact CB-CZ 3.71Å
1040	Q	92.1	Very high	84.5	Confident	44 Å²	44	53.8 Å²	53.8	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.3	172.2	-173.6	70.9	0.8	0	0	108.3	V1031 E1032 Q1079 L1081	V1031-Q1040 WeakPolarHBondContact CA-O 3.38Å; E1032-Q1040 PolarHBondContact N-O 2.82Å; E1032-Q1040 PolarHBondContact O-N 2.79Å; Q1040-Q1079 VanDerWaalsContact NE2-CD 3.27Å; Q1040-L1081 HydrophobicContact CB-CD1 4.48Å; Q1040-L1081 VanDerWaalsContact OE1-CB 3.31Å
1041	V	92.6	Very high	84.2	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.2	174.9	-178.6	0	0	0	0	108.7	M1029 R1030 V1031 V1057 Q1079 V1080 I1082 V1093 V1095	M1029-V1041 HydrophobicContact SD-CG1 4.41Å; R1030-V1041 WeakPolarHBondContact O-CA 3.49Å; V1031-V1041 HydrophobicContact CB-CG2 4.19Å; V1031-V1041 HydrophobicContact CG2-CG2 3.87Å; V1041-V1057 HydrophobicContact CB-CG1 4.27Å; V1041-V1057 HydrophobicContact CB-CG2 4.3Å; V1041-V1057 HydrophobicContact CG1-CG1 3.97Å; V1041-V1057 HydrophobicContact CG1-CG2 3.92Å; V1041-V1057 HydrophobicContact CG2-CG1 4.2Å; V1041-Q1079 CarbonylContact O-C 3.58Å; V1041-Q1079 WeakPolarHBondContact O-CA 3.37Å; V1041-V1080 HydrophobicContact CB-CG1 4.34Å; V1041-V1080 PolarHBondContact N-O 2.74Å; V1041-V1080 PolarHBondContact O-N 2.76Å; V1041-I1082 HydrophobicContact CG2-CD1 3.65Å; V1041-I1082 HydrophobicContact CG2-CG1 4.23Å; V1041-V1093 HydrophobicContact CG2-CG2 4.03Å; V1041-V1095 HydrophobicContact CG1-CG2 3.85Å
1042	T	91.9	Very high	83.8	Confident	54 Å²	54	45.7 Å²	45.7	33%	0.331	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.2	-175.9	-59.5	0	0	0	0	109.1	M1029 R1030 K1078 Q1079	M1029-T1042 CarbonylContact C-O 3.56Å; M1029-T1042 VanDerWaalsContact CA-O 3.29Å; M1029-T1042 WeakPolarHBondContact CA-O 3.26Å; R1030-T1042 PolarHBondContact N-O 3.27Å; R1030-T1042 PolarHBondContact O-N 2.82Å; T1042-K1078 CarbonylContact C-O 3.57Å; T1042-K1078 WeakPolarHBondContact CA-O 3.38Å; T1042-Q1079 HydrophobicContact CG2-CB 4.33Å
1043	W	89.2	Confident	83.5	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.4	-179.2	62.8	96.1	0	0	0	114	P1027 D1028 M1029 F1055 V1057 L1073 T1077 K1078 Q1079 V1080 V1095	P1027-W1043 HydrophobicContact CB-CB 4.49Å; D1028-W1043 CarbonylContact O-C 3.59Å; D1028-W1043 WeakPolarHBondContact O-CA 3.47Å; D1028-W1043 VanDerWaalsContact O-CB 3.27Å; D1028-W1043 WeakPolarHBondContact O-CB 3.4Å; M1029-W1043 HydrophobicContact CB-CB 4.03Å; W1043-F1055 AromaticContact CD1-CD1 3.74Å; W1043-F1055 AromaticContact CE2-CG 3.91Å; W1043-F1055 HydrophobicContact CZ2-CB 3.66Å; W1043-F1055 HydrophobicContact CZ2-CG 4.26Å; W1043-F1055 AromaticContact NE1-CD1 3.43Å; W1043-F1055 AromaticContact NE1-CD2 3.67Å; W1043-F1055 AromaticContact NE1-CG 3.22Å; W1043-V1057 HydrophobicContact CE3-CG2 4.29Å; W1043-V1057 HydrophobicContact CZ3-CG2 3.92Å; W1043-L1073 HydrophobicContact CH2-CD1 3.82Å; W1043-L1073 HydrophobicContact CZ2-CB 4.49Å; W1043-T1077 WeakPolarHBondContact CZ2-O 3.26Å; W1043-K1078 PolarHBondContact N-O 2.68Å; W1043-K1078 WeakPolarHBondContact O-CB 3.46Å; W1043-Q1079 VanDerWaalsContact CZ3-C 3.5Å; W1043-Q1079 VanDerWaalsContact CZ3-CA 3.42Å; W1043-V1080 HydrophobicContact CH2-CB 4.45Å; W1043-V1080 HydrophobicContact CZ3-CB 4.28Å; W1043-V1080 HydrophobicContact CZ3-CG1 4.13Å; W1043-V1095 HydrophobicContact CB-CB 4.47Å; W1043-V1095 HydrophobicContact CB-CG1 4.16Å; W1043-V1095 HydrophobicContact CB-CG2 3.98Å; W1043-V1095 HydrophobicContact CD2-CG1 4Å; W1043-V1095 HydrophobicContact CD2-CG2 4.22Å; W1043-V1095 HydrophobicContact CE3-CG1 4.41Å; W1043-V1095 HydrophobicContact CE3-CG2 3.95Å; W1043-V1095 HydrophobicContact CG-CG1 3.86Å; W1043-V1095 HydrophobicContact CG-CG2 4.26Å
1044	L	85	Confident	83.4	Confident	98 Å²	98	37.1 Å²	37.1	51%	0.513	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.9	166.7	-63.2	177.2	0	0	0	107.4	D1028	D1028-L1044 PolarHBondContact N-O 2.79Å; D1028-L1044 PolarHBondContact O-N 2.86Å
1045	P	81.1	Confident	83.9	Confident	9 Å²	9	33.7 Å²	33.7	6%	0.058	21%	0.205	C	C	.	.			trans	-54.7	143.3	165	-22.8	34.2	0	0	0	110.1	D1047 P1051 F1055 F1075 K1078	P1045-D1047 PolarHBondContact O-N 2.85Å; P1045-P1051 HydrophobicContact CB-CB 3.55Å; P1045-F1055 HydrophobicContact CB-CE1 4.15Å; P1045-F1055 HydrophobicContact CB-CZ 3.71Å; P1045-F1055 HydrophobicContact CG-CE1 4.12Å; P1045-F1055 HydrophobicContact CG-CE2 4.09Å; P1045-F1055 HydrophobicContact CG-CZ 3.65Å; P1045-F1075 HydrophobicContact CG-CE2 4.34Å; P1045-K1078 HydrophobicContact CG-CG 4.48Å
1046	S	78.1	Confident	84.6	Confident	23 Å²	23	34.7 Å²	34.7	16%	0.161	20%	0.203	C	C	.	.			trans	-66.1	129.9	-174.3	-178.2	0	0	0	0	112.5	S1048	S1046-S1048 VanDerWaalsContact C-N 3.28Å; S1046-S1048 PolarHBondContact OG-N 3.21Å; S1046-S1048 VanDerWaalsContact OG-N 3.14Å; S1046-S1048 PolarHBondContact OG-OG 2.88Å
1047	D	71.1	Confident	85.3	Confident	173 Å²	173	33.5 Å²	33.5	93%	0.925	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.4	171.2	-58.6	-44.7	0	0	0	112.7	P1045	P1045-D1047 PolarHBondContact O-N 2.85Å
1048	S	74.4	Confident	85.6	Confident	118 Å²	118	31.1 Å²	31.1	83%	0.825	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	4.8	-172.8	64.7	0	0	0	0	114.9	S1046	S1046-S1048 VanDerWaalsContact C-N 3.28Å; S1046-S1048 PolarHBondContact OG-N 3.21Å; S1046-S1048 VanDerWaalsContact OG-N 3.14Å; S1046-S1048 PolarHBondContact OG-OG 2.88Å
1049	G	80.2	Confident	85.9	Confident	14 Å²	14	31.9 Å²	31.9	14%	0.144	18%	0.183	C	C	.	.	S	Bend	trans	-170.3	178.7	176.7	0	0	0	0	0	111.6	P1051	G1049-P1051 VanDerWaalsContact O-CD 3.24Å; G1049-P1051 WeakPolarHBondContact O-CD 2.85Å; G1049-P1051 VanDerWaalsContact O-N 3.13Å
1050	M	85	Confident	85.9	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.183	C	C	.	.			trans	-58.6	113	-177.2	-178	-178	76.5	0	0	111.7	W1019 Q1022 P1024 A1025 G1052 D1099	W1019-M1050 HydrophobicContact CB-CB 4.22Å; W1019-M1050 HydrophobicContact CB-CG 3.81Å; W1019-M1050 HydrophobicContact CB-SD 3.5Å; W1019-M1050 VanDerWaalsContact CB-SD 3.5Å; W1019-M1050 HydrophobicContact CD2-CB 3.56Å; W1019-M1050 HydrophobicContact CD2-CG 3.94Å; W1019-M1050 HydrophobicContact CE3-CB 3.8Å; W1019-M1050 HydrophobicContact CG-CB 3.74Å; W1019-M1050 HydrophobicContact CG-CG 3.55Å; W1019-M1050 HydrophobicContact CG-SD 3.97Å; W1019-M1050 HydrophobicContact CZ3-CB 4.39Å; Q1022-M1050 HydrophobicContact CG-CB 4.47Å; Q1022-M1050 HydrophobicContact CG-CE 4.01Å; Q1022-M1050 HydrophobicContact CG-SD 4.2Å; Q1022-M1050 WeakPolarHBondContact O-CE 3.46Å; P1024-M1050 CarbonylContact C-O 3.58Å; P1024-M1050 WeakPolarHBondContact CA-O 3.29Å; P1024-M1050 HydrophobicContact CB-CE 4.14Å; A1025-M1050 WeakPolarHBondContact CB-O 3.26Å; A1025-M1050 PolarHBondContact N-O 3.17Å; M1050-G1052 VanDerWaalsContact C-N 3.34Å; M1050-G1052 PolarHBondContact O-N 2.99Å; M1050-D1099 HydrophobicContact CE-CB 3.45Å; M1050-D1099 VanDerWaalsContact CE-CB 3.45Å; M1050-D1099 VanDerWaalsContact CE-CG 3.49Å; M1050-D1099 HydrophobicContact SD-CB 4.41Å
1051	P	82.5	Confident	85.9	Confident	17 Å²	17	32.5 Å²	32.5	11%	0.11	19%	0.185	C	C	.	.			trans	-70.5	-25.7	-170	22.1	-30	0	0	0	114.7	I938 P1045 G1049 F1055 S1097	I938-P1051 HydrophobicContact CB-CG 4.12Å; I938-P1051 HydrophobicContact CG2-CG 4.46Å; I938-P1051 VanDerWaalsContact O-CD 3.22Å; I938-P1051 WeakPolarHBondContact O-CD 3.09Å; I938-P1051 WeakPolarHBondContact O-CG 3.21Å; P1045-P1051 HydrophobicContact CB-CB 3.55Å; G1049-P1051 VanDerWaalsContact O-CD 3.24Å; G1049-P1051 WeakPolarHBondContact O-CD 2.85Å; G1049-P1051 VanDerWaalsContact O-N 3.13Å; P1051-F1055 HydrophobicContact CB-CZ 4.34Å; P1051-F1055 WeakPolarHBondContact O-CE1 3.35Å; P1051-F1055 VanDerWaalsContact O-CZ 3.23Å; P1051-F1055 WeakPolarHBondContact O-CZ 3.24Å; P1051-S1097 WeakPolarHBondContact O-CB 3Å
1052	G	83.1	Confident	85.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.			trans	104.6	153.6	-172.5	0	0	0	0	0	112.4	I938 M1050 K1098	I938-G1052 CarbonylContact O-C 3.46Å; I938-G1052 WeakPolarHBondContact O-CA 2.96Å; I938-G1052 PolarHBondContact O-N 2.97Å; M1050-G1052 VanDerWaalsContact C-N 3.34Å; M1050-G1052 PolarHBondContact O-N 2.99Å; G1052-K1098 CarbonylContact C-O 3.46Å; G1052-K1098 VanDerWaalsContact CA-O 3.3Å; G1052-K1098 WeakPolarHBondContact CA-O 3.39Å
1053	T	82.9	Confident	85.3	Confident	23 Å²	23	38.4 Å²	38.4	14%	0.141	24%	0.235	C	C	.	.	S	Bend	trans	-79.5	-30.4	177.7	62.9	0	0	0	0	112.6	T942 K1098 D1099	T942-T1053 WeakPolarHBondContact OG1-CG2 3.47Å; T1053-K1098 PolarHBondContact N-O 2.78Å; T1053-K1098 PolarHBondContact OG1-O 2.02Å; T1053-D1099 WeakPolarHBondContact CG2-OD1 3.05Å
1054	A	85	Confident	85	Confident	6 Å²	6	40.7 Å²	40.7	5%	0.05	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.5	-179.5	0	0	0	0	0	112.4	M1072 L1073 T1074 K1098	A1054-M1072 HydrophobicContact CB-CG 3.73Å; A1054-M1072 HydrophobicContact CB-SD 4.06Å; A1054-L1073 WeakPolarHBondContact CA-O 3.24Å; A1054-T1074 HydrophobicContact CB-CG2 4.25Å; A1054-K1098 PolarHBondContact N-O 2.84Å; A1054-K1098 PolarHBondContact O-N 2.94Å
1055	F	88.6	Confident	84.8	Confident	1 Å²	1	43.6 Å²	43.6	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149	178.7	-58.5	-91.5	0	0	0	110.1	P1027 W1043 P1045 P1051 L1073 V1095 V1096	P1027-F1055 HydrophobicContact CB-CE1 4.43Å; W1043-F1055 AromaticContact CD1-CD1 3.74Å; W1043-F1055 AromaticContact CE2-CG 3.91Å; W1043-F1055 HydrophobicContact CZ2-CB 3.66Å; W1043-F1055 HydrophobicContact CZ2-CG 4.26Å; W1043-F1055 AromaticContact NE1-CD1 3.43Å; W1043-F1055 AromaticContact NE1-CD2 3.67Å; W1043-F1055 AromaticContact NE1-CG 3.22Å; P1045-F1055 HydrophobicContact CB-CE1 4.15Å; P1045-F1055 HydrophobicContact CB-CZ 3.71Å; P1045-F1055 HydrophobicContact CG-CE1 4.12Å; P1045-F1055 HydrophobicContact CG-CE2 4.09Å; P1045-F1055 HydrophobicContact CG-CZ 3.65Å; P1051-F1055 HydrophobicContact CB-CZ 4.34Å; P1051-F1055 WeakPolarHBondContact O-CE1 3.35Å; P1051-F1055 VanDerWaalsContact O-CZ 3.23Å; P1051-F1055 WeakPolarHBondContact O-CZ 3.24Å; F1055-L1073 PolarHBondContact N-O 3.08Å; F1055-L1073 PolarHBondContact O-N 2.8Å; F1055-V1095 HydrophobicContact CD1-CG1 4.24Å; F1055-V1096 CarbonylContact C-O 3.53Å; F1055-V1096 VanDerWaalsContact CA-O 3.26Å; F1055-V1096 WeakPolarHBondContact CA-O 3.48Å
1056	Y	92.1	Very high	85	Confident	39 Å²	39	48.1 Å²	48.1	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.4	167.5	62	-79.2	0	0	0	109.8	N1058 M1072 V1096	Y1056-N1058 WeakPolarHBondContact CD2-OD1 3.5Å; Y1056-N1058 VanDerWaalsContact CE2-OD1 3.31Å; Y1056-N1058 WeakPolarHBondContact CE2-OD1 3.27Å; Y1056-M1072 HydrophobicContact CD1-CE 3.64Å; Y1056-M1072 HydrophobicContact CE1-CE 3.84Å; Y1056-M1072 HydrophobicContact CG-CE 4.37Å; Y1056-V1096 HydrophobicContact CD1-CB 3.97Å; Y1056-V1096 HydrophobicContact CD1-CG1 4.4Å; Y1056-V1096 HydrophobicContact CD2-CB 4.25Å; Y1056-V1096 HydrophobicContact CD2-CG2 4.17Å; Y1056-V1096 HydrophobicContact CE1-CB 3.67Å; Y1056-V1096 HydrophobicContact CE1-CG1 3.65Å; Y1056-V1096 HydrophobicContact CE1-CG2 4.39Å; Y1056-V1096 HydrophobicContact CE2-CB 3.98Å; Y1056-V1096 HydrophobicContact CE2-CG1 4.38Å; Y1056-V1096 HydrophobicContact CE2-CG2 3.78Å; Y1056-V1096 HydrophobicContact CG-CB 4.27Å; Y1056-V1096 PolarHBondContact N-O 2.84Å; Y1056-V1096 PolarHBondContact O-N 2.87Å
1057	V	92.4	Very high	85.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.9	-175.6	-178	0	0	0	0	109.8	V1041 W1043 S1069 S1070 V1080 I1082 V1093 V1095	V1041-V1057 HydrophobicContact CB-CG1 4.27Å; V1041-V1057 HydrophobicContact CB-CG2 4.3Å; V1041-V1057 HydrophobicContact CG1-CG1 3.97Å; V1041-V1057 HydrophobicContact CG1-CG2 3.92Å; V1041-V1057 HydrophobicContact CG2-CG1 4.2Å; W1043-V1057 HydrophobicContact CE3-CG2 4.29Å; W1043-V1057 HydrophobicContact CZ3-CG2 3.92Å; V1057-S1069 CarbonylContact O-C 3.6Å; V1057-S1069 WeakPolarHBondContact O-CA 3.18Å; V1057-S1070 PolarHBondContact N-OG 3.32Å; V1057-S1070 PolarHBondContact O-N 2.77Å; V1057-V1080 HydrophobicContact CB-CG1 4.01Å; V1057-V1080 HydrophobicContact CG2-CG1 3.49Å; V1057-V1080 VanDerWaalsContact CG2-CG1 3.49Å; V1057-I1082 HydrophobicContact CG1-CD1 3.97Å; V1057-V1093 HydrophobicContact CG1-CG2 3.34Å; V1057-V1095 HydrophobicContact CG2-CG2 3.85Å
1058	N	92.7	Very high	86.4	Confident	19 Å²	19	48.9 Å²	48.9	10%	0.102	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.5	171.5	-86.1	7.4	0	0	0	109.6	Y1056 W1067 Q1068 S1069 V1093 H1094 V1096	Y1056-N1058 WeakPolarHBondContact CD2-OD1 3.5Å; Y1056-N1058 VanDerWaalsContact CE2-OD1 3.31Å; Y1056-N1058 WeakPolarHBondContact CE2-OD1 3.27Å; N1058-W1067 HydrophobicContact CB-CE3 4Å; N1058-W1067 HydrophobicContact CB-CZ3 4.33Å; N1058-Q1068 CarbonylContact C-O 3.55Å; N1058-Q1068 VanDerWaalsContact CA-O 3.31Å; N1058-Q1068 WeakPolarHBondContact CA-O 3.49Å; N1058-S1069 WeakPolarHBondContact OD1-CB 3.36Å; N1058-S1069 PolarHBondContact OD1-OG 3.06Å; N1058-V1093 CarbonylContact O-C 3.52Å; N1058-V1093 WeakPolarHBondContact O-CA 3.25Å; N1058-V1093 WeakPolarHBondContact O-CG2 3.09Å; N1058-H1094 PolarHBondContact N-O 2.97Å; N1058-H1094 PolarHBondContact O-N 2.8Å; N1058-V1096 HydrophobicContact CB-CG2 4.31Å
1059	Y	92.9	Very high	87.2	Confident	28 Å²	28	46.5 Å²	46.5	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.6	177.5	57.9	-76.8	0	0	0	110.9	Q1068 I1082 L1085 V1092	Y1059-Q1068 HydrophobicContact CD1-CB 4.31Å; Y1059-Q1068 HydrophobicContact CD2-CB 4.14Å; Y1059-Q1068 HydrophobicContact CE1-CB 3.85Å; Y1059-Q1068 HydrophobicContact CE2-CB 3.67Å; Y1059-Q1068 HydrophobicContact CE2-CG 4.3Å; Y1059-Q1068 VanDerWaalsContact CE2-OE1 3.3Å; Y1059-Q1068 HydrophobicContact CG-CB 4.44Å; Y1059-Q1068 VanDerWaalsContact CZ-CB 3.49Å; Y1059-Q1068 PolarHBondContact N-O 2.86Å; Y1059-Q1068 PolarHBondContact O-N 3.46Å; Y1059-I1082 HydrophobicContact CD1-CD1 3.77Å; Y1059-I1082 HydrophobicContact CD1-CG1 4.34Å; Y1059-I1082 HydrophobicContact CD1-CG2 4.27Å; Y1059-I1082 HydrophobicContact CD2-CG2 3.99Å; Y1059-I1082 HydrophobicContact CE1-CD1 4.32Å; Y1059-I1082 HydrophobicContact CE1-CG1 4.42Å; Y1059-I1082 HydrophobicContact CE1-CG2 3.94Å; Y1059-I1082 HydrophobicContact CE2-CG2 3.62Å; Y1059-I1082 HydrophobicContact CG-CD1 3.91Å; Y1059-I1082 HydrophobicContact CG-CG2 4.31Å; Y1059-L1085 HydrophobicContact CD2-CD2 4.01Å; Y1059-L1085 HydrophobicContact CE2-CD2 3.95Å; Y1059-V1092 CarbonylContact C-O 3.53Å; Y1059-V1092 VanDerWaalsContact CA-O 3.28Å; Y1059-V1092 WeakPolarHBondContact CA-O 3.14Å
1060	S	92	Very high	87.7	Confident	1 Å²	1	47 Å²	47	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.9	174.6	-179.1	0	0	0	0	110.2	T1064 V1066 Y1091 V1092	S1060-T1064 PolarHBondContact OG-O 3.07Å; S1060-T1064 PolarHBondContact OG-OG1 3.44Å; S1060-V1066 PolarHBondContact OG-O 3.34Å; S1060-Y1091 CarbonylContact O-C 3.56Å; S1060-Y1091 WeakPolarHBondContact O-CA 3.3Å; S1060-Y1091 WeakPolarHBondContact O-CD1 3.02Å; S1060-V1092 PolarHBondContact N-O 2.94Å; S1060-V1092 WeakPolarHBondContact O-CG1 3.46Å; S1060-V1092 PolarHBondContact O-N 2.85Å
1061	K	91.2	Very high	87.7	Confident	57 Å²	57	53.5 Å²	53.5	25%	0.248	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.4	170.6	179.4	-179.6	176.1	-175.7	0	108.7	G1063 T1064 E1086 Y1091	K1061-G1063 PolarHBondContact O-N 3.27Å; K1061-T1064 HydrophobicContact CB-CG2 4.35Å; K1061-T1064 HydrophobicContact CD-CG2 4.34Å; K1061-T1064 HydrophobicContact CG-CG2 4.39Å; K1061-T1064 PolarHBondContact O-N 2.86Å; K1061-T1064 PolarHBondContact O-OG1 3.49Å; K1061-E1086 WeakPolarHBondContact CE-OE2 2.94Å; K1061-E1086 IonicContact NZ-OE1 3.33Å; K1061-E1086 PolarHBondContact NZ-OE1 2.81Å; K1061-E1086 IonicContact NZ-OE2 3.81Å; K1061-E1086 PolarHBondContact NZ-OE2 2.76Å; K1061-Y1091 HydrophobicContact CB-CD1 4.22Å; K1061-Y1091 HydrophobicContact CB-CE1 3.83Å
1062	L	87.6	Confident	88	Confident	91 Å²	91	57.4 Å²	57.4	48%	0.476	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	132.1	-172.5	-161.7	71.1	0	0	0	110.9	D1090 V1092 Y1110	L1062-D1090 HydrophobicContact CB-CB 3.71Å; L1062-D1090 WeakPolarHBondContact CB-O 3.16Å; L1062-D1090 HydrophobicContact CD2-CB 3.75Å; L1062-D1090 HydrophobicContact CG-CB 4.38Å; L1062-D1090 PolarHBondContact N-O 3.14Å; L1062-V1092 HydrophobicContact CD1-CB 4.4Å; L1062-Y1110 HydrophobicContact CD1-CD1 3.95Å; L1062-Y1110 HydrophobicContact CD1-CE1 3.83Å
1063	G	83.2	Confident	88	Confident	86 Å²	86	58.4 Å²	58.4	89%	0.887	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	12	-172.7	0	0	0	0	0	114.9	K1061	K1061-G1063 PolarHBondContact O-N 3.27Å
1064	T	84.4	Confident	87.7	Confident	51 Å²	51	60 Å²	60	31%	0.313	33%	0.331	S	S	.	.			trans	-123.3	140.2	168.5	73.4	0	0	0	0	111.4	S1060 K1061 V1066	S1060-T1064 PolarHBondContact OG-O 3.07Å; S1060-T1064 PolarHBondContact OG-OG1 3.44Å; K1061-T1064 HydrophobicContact CB-CG2 4.35Å; K1061-T1064 HydrophobicContact CD-CG2 4.34Å; K1061-T1064 HydrophobicContact CG-CG2 4.39Å; K1061-T1064 PolarHBondContact O-N 2.86Å; K1061-T1064 PolarHBondContact O-OG1 3.49Å; T1064-V1066 PolarHBondContact O-N 3.43Å
1065	D	79.8	Confident	86.7	Confident	159 Å²	159	62.7 Å²	62.7	85%	0.85	34%	0.341	S	S	*	.			trans	-81.6	10	175.1	-59.8	-46.9	0	0	0	112.8	W1067	D1065-W1067 PolarHBondContact O-N 3.35Å
1066	V	86.2	Confident	85.6	Confident	104 Å²	104	67.2 Å²	67.2	63%	0.63	37%	0.371	S	S	*	.			trans	-95	88.7	-173	-176.3	0	0	0	0	110.1	S1060 T1064	S1060-V1066 PolarHBondContact OG-O 3.34Å; T1064-V1066 PolarHBondContact O-N 3.43Å
1067	W	89	Confident	84.9	Confident	116 Å²	116	68.2 Å²	68.2	44%	0.439	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	135.5	173.9	-68.4	87.1	0	0	0	112.1	N1058 D1065 V1092 H1094	N1058-W1067 HydrophobicContact CB-CE3 4Å; N1058-W1067 HydrophobicContact CB-CZ3 4.33Å; D1065-W1067 PolarHBondContact O-N 3.35Å; W1067-V1092 HydrophobicContact CH2-CG1 3.63Å; W1067-V1092 HydrophobicContact CH2-CG2 4.16Å; W1067-V1092 HydrophobicContact CZ2-CG1 4.12Å; W1067-V1092 HydrophobicContact CZ3-CG1 4.17Å; W1067-H1094 AromaticContact CE3-CE1 3.86Å; W1067-H1094 AromaticContact CH2-CE1 3.5Å; W1067-H1094 VanDerWaalsContact CH2-CE1 3.5Å; W1067-H1094 WeakPolarHBondContact CH2-CE1 3.13Å; W1067-H1094 AromaticContact CH2-ND1 3.43Å; W1067-H1094 WeakPolarHBondContact CH2-ND1 3.08Å; W1067-H1094 AromaticContact CZ3-CE1 3.3Å; W1067-H1094 WeakPolarHBondContact CZ3-CE1 3.19Å; W1067-H1094 AromaticContact CZ3-ND1 3.28Å; W1067-H1094 VanDerWaalsContact CZ3-ND1 3.28Å; W1067-H1094 WeakPolarHBondContact CZ3-ND1 2.98Å
1068	Q	90.1	Very high	84.5	Confident	96 Å²	96	71.5 Å²	71.5	45%	0.449	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	155.2	169.6	-60.6	-179.8	-78.4	0	0	109.1	N1058 Y1059	N1058-Q1068 CarbonylContact C-O 3.55Å; N1058-Q1068 VanDerWaalsContact CA-O 3.31Å; N1058-Q1068 WeakPolarHBondContact CA-O 3.49Å; Y1059-Q1068 HydrophobicContact CD1-CB 4.31Å; Y1059-Q1068 HydrophobicContact CD2-CB 4.14Å; Y1059-Q1068 HydrophobicContact CE1-CB 3.85Å; Y1059-Q1068 HydrophobicContact CE2-CB 3.67Å; Y1059-Q1068 HydrophobicContact CE2-CG 4.3Å; Y1059-Q1068 VanDerWaalsContact CE2-OE1 3.3Å; Y1059-Q1068 HydrophobicContact CG-CB 4.44Å; Y1059-Q1068 VanDerWaalsContact CZ-CB 3.49Å; Y1059-Q1068 PolarHBondContact N-O 2.86Å; Y1059-Q1068 PolarHBondContact O-N 3.46Å
1069	S	91.2	Very high	84.3	Confident	68 Å²	68	75.7 Å²	75.7	48%	0.476	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.5	178.6	-58.7	0	0	0	0	110.8	V1057 N1058	V1057-S1069 CarbonylContact O-C 3.6Å; V1057-S1069 WeakPolarHBondContact O-CA 3.18Å; N1058-S1069 WeakPolarHBondContact OD1-CB 3.36Å; N1058-S1069 PolarHBondContact OD1-OG 3.06Å
1070	S	89.8	Confident	84.2	Confident	25 Å²	25	75.1 Å²	75.1	18%	0.175	41%	0.414	C	S	.	.			trans	-70.1	174.2	165.2	72.9	0	0	0	0	111.6	V1057	V1057-S1070 PolarHBondContact N-OG 3.32Å; V1057-S1070 PolarHBondContact O-N 2.77Å
1071	E	85.8	Confident	84.2	Confident	137 Å²	137	77.6 Å²	77.6	64%	0.64	43%	0.427	S	S	*	.			trans	-58	159.4	158.5	66.4	-171.4	153.3	0	0	111.7	L1073	E1071-L1073 HydrophobicContact CG-CD1 4.37Å; E1071-L1073 HydrophobicContact CG-CD2 3.77Å; E1071-L1073 HydrophobicContact CG-CG 3.98Å
1072	M	87.1	Confident	84.1	Confident	98 Å²	98	75.2 Å²	75.2	48%	0.483	42%	0.417	S	S	.	.			trans	-90.3	121.3	179.6	-172.8	164.1	-72.9	0	0	109.9	A1054 Y1056 K1098	A1054-M1072 HydrophobicContact CB-CG 3.73Å; A1054-M1072 HydrophobicContact CB-SD 4.06Å; Y1056-M1072 HydrophobicContact CD1-CE 3.64Å; Y1056-M1072 HydrophobicContact CE1-CE 3.84Å; Y1056-M1072 HydrophobicContact CG-CE 4.37Å; M1072-K1098 HydrophobicContact CE-CD 3.62Å; M1072-K1098 HydrophobicContact SD-CD 3.94Å
1073	L	83.1	Confident	84.1	Confident	22 Å²	22	78.5 Å²	78.5	12%	0.115	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.7	-167.3	-65.4	170.7	0	0	0	110.7	W1043 A1054 F1055 E1071 T1077 V1080	W1043-L1073 HydrophobicContact CH2-CD1 3.82Å; W1043-L1073 HydrophobicContact CZ2-CB 4.49Å; A1054-L1073 WeakPolarHBondContact CA-O 3.24Å; F1055-L1073 PolarHBondContact N-O 3.08Å; F1055-L1073 PolarHBondContact O-N 2.8Å; E1071-L1073 HydrophobicContact CG-CD1 4.37Å; E1071-L1073 HydrophobicContact CG-CD2 3.77Å; E1071-L1073 HydrophobicContact CG-CG 3.98Å; L1073-T1077 HydrophobicContact CB-CG2 4.2Å; L1073-T1077 HydrophobicContact CD1-CG2 4.07Å; L1073-T1077 HydrophobicContact CD2-CG2 4.14Å; L1073-T1077 HydrophobicContact CG-CG2 4.36Å; L1073-V1080 HydrophobicContact CD1-CB 3.78Å; L1073-V1080 HydrophobicContact CD1-CG2 3.89Å
1074	T	77.2	Confident	84.3	Confident	55 Å²	55	81.1 Å²	81.1	34%	0.337	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	163.6	178.8	56	0	0	0	0	111.7	M986 A1054 T1077	M986-T1074 HydrophobicContact CE-CG2 4.06Å; A1054-T1074 HydrophobicContact CB-CG2 4.25Å; T1074-T1077 VanDerWaalsContact O-CB 3.29Å; T1074-T1077 WeakPolarHBondContact O-CB 3.37Å; T1074-T1077 PolarHBondContact O-N 3.23Å; T1074-T1077 PolarHBondContact O-OG1 2.67Å
1075	F	64.4	Low	84.5	Confident	63 Å²	63	78.9 Å²	78.9	28%	0.276	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	139.4	177.1	-152.7	-89.2	0	0	0	110.8	I938 V944 P1045 K1078	I938-F1075 HydrophobicContact CD1-CB 3.92Å; V944-F1075 HydrophobicContact CG1-CD1 4.27Å; V944-F1075 HydrophobicContact CG2-CB 4.43Å; P1045-F1075 HydrophobicContact CG-CE2 4.34Å; F1075-K1078 VanDerWaalsContact CE2-CE 3.46Å
1076	P	66.1	Low	84.8	Confident	97 Å²	97	75.4 Å²	75.4	63%	0.63	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.7	13.7	9.9	38	-37.6	0	0	0	115.6	K1078	P1076-K1078 PolarHBondContact O-N 2.86Å
1077	T	76.9	Confident	84.7	Confident	59 Å²	59	72.5 Å²	72.5	36%	0.362	36%	0.364	S	S	.	.			trans	-68.8	119.9	-179.6	-49.8	0	0	0	0	110.7	W1043 L1073 T1074	W1043-T1077 WeakPolarHBondContact CZ2-O 3.26Å; L1073-T1077 HydrophobicContact CB-CG2 4.2Å; L1073-T1077 HydrophobicContact CD1-CG2 4.07Å; L1073-T1077 HydrophobicContact CD2-CG2 4.14Å; L1073-T1077 HydrophobicContact CG-CG2 4.36Å; T1074-T1077 VanDerWaalsContact O-CB 3.29Å; T1074-T1077 WeakPolarHBondContact O-CB 3.37Å; T1074-T1077 PolarHBondContact O-N 3.23Å; T1074-T1077 PolarHBondContact O-OG1 2.67Å
1078	K	83.4	Confident	84.4	Confident	70 Å²	70	70.9 Å²	70.9	30%	0.304	36%	0.364	S	S	.	.			trans	-123.8	11.8	-175.3	-74.7	-171.7	-179	-168.8	0	113.6	T1042 W1043 P1045 F1075 P1076	T1042-K1078 CarbonylContact C-O 3.57Å; T1042-K1078 WeakPolarHBondContact CA-O 3.38Å; W1043-K1078 PolarHBondContact N-O 2.68Å; W1043-K1078 WeakPolarHBondContact O-CB 3.46Å; P1045-K1078 HydrophobicContact CG-CG 4.48Å; F1075-K1078 VanDerWaalsContact CE2-CE 3.46Å; P1076-K1078 PolarHBondContact O-N 2.86Å
1079	Q	89.3	Confident	84.4	Confident	107 Å²	107	70 Å²	70	50%	0.5	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.1	-179.1	63.3	178.7	-4.2	0	0	111.7	Q1040 V1041 T1042 W1043	Q1040-Q1079 VanDerWaalsContact NE2-CD 3.27Å; V1041-Q1079 CarbonylContact O-C 3.58Å; V1041-Q1079 WeakPolarHBondContact O-CA 3.37Å; T1042-Q1079 HydrophobicContact CG2-CB 4.33Å; W1043-Q1079 VanDerWaalsContact CZ3-C 3.5Å; W1043-Q1079 VanDerWaalsContact CZ3-CA 3.42Å
1080	V	90.5	Very high	84.4	Confident	16 Å²	16	70.6 Å²	70.6	10%	0.097	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.5	172.5	73.8	0	0	0	0	110.3	V1041 W1043 V1057 L1073	V1041-V1080 HydrophobicContact CB-CG1 4.34Å; V1041-V1080 PolarHBondContact N-O 2.74Å; V1041-V1080 PolarHBondContact O-N 2.76Å; W1043-V1080 HydrophobicContact CH2-CB 4.45Å; W1043-V1080 HydrophobicContact CZ3-CB 4.28Å; W1043-V1080 HydrophobicContact CZ3-CG1 4.13Å; V1057-V1080 HydrophobicContact CB-CG1 4.01Å; V1057-V1080 HydrophobicContact CG2-CG1 3.49Å; V1057-V1080 VanDerWaalsContact CG2-CG1 3.49Å; L1073-V1080 HydrophobicContact CD1-CB 3.78Å; L1073-V1080 HydrophobicContact CD1-CG2 3.89Å
1081	L	90.9	Very high	84.5	Confident	53 Å²	53	69.8 Å²	69.8	28%	0.277	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	107	174.4	-179.5	55.7	0	0	0	109.6	Q1040 R1083	Q1040-L1081 HydrophobicContact CB-CD1 4.48Å; Q1040-L1081 VanDerWaalsContact OE1-CB 3.31Å; L1081-R1083 HydrophobicContact CD2-CG 4.47Å; L1081-R1083 HydrophobicContact CG-CG 4.11Å
1082	I	89.7	Confident	84.9	Confident	6 Å²	6	64 Å²	64	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.4	168.9	-51.9	173.5	0	0	0	107.9	S1038 A1039 V1041 V1057 Y1059 L1085 V1093	S1038-I1082 CarbonylContact C-O 3.47Å; S1038-I1082 WeakPolarHBondContact CA-O 3.27Å; S1038-I1082 VanDerWaalsContact CB-O 3.26Å; S1038-I1082 WeakPolarHBondContact CB-O 3.5Å; A1039-I1082 PolarHBondContact N-O 2.81Å; A1039-I1082 PolarHBondContact O-N 2.87Å; V1041-I1082 HydrophobicContact CG2-CD1 3.65Å; V1041-I1082 HydrophobicContact CG2-CG1 4.23Å; V1057-I1082 HydrophobicContact CG1-CD1 3.97Å; Y1059-I1082 HydrophobicContact CD1-CD1 3.77Å; Y1059-I1082 HydrophobicContact CD1-CG1 4.34Å; Y1059-I1082 HydrophobicContact CD1-CG2 4.27Å; Y1059-I1082 HydrophobicContact CD2-CG2 3.99Å; Y1059-I1082 HydrophobicContact CE1-CD1 4.32Å; Y1059-I1082 HydrophobicContact CE1-CG1 4.42Å; Y1059-I1082 HydrophobicContact CE1-CG2 3.94Å; Y1059-I1082 HydrophobicContact CE2-CG2 3.62Å; Y1059-I1082 HydrophobicContact CG-CD1 3.91Å; Y1059-I1082 HydrophobicContact CG-CG2 4.31Å; I1082-L1085 HydrophobicContact CG2-CD1 4.22Å; I1082-L1085 HydrophobicContact CG2-CD2 3.73Å; I1082-L1085 HydrophobicContact CG2-CG 4.06Å; I1082-V1093 HydrophobicContact CD1-CG2 4.19Å
1083	R	87.9	Confident	85.2	Confident	161 Å²	161	59.3 Å²	59.3	61%	0.608	30%	0.301	S	S	*	.			trans	-120.9	172.9	-178.3	-62.8	178.2	-179.4	-106.1	2.6	110.4	N1037 L1081 L1085	N1037-R1083 CarbonylContact O-C 3.58Å; L1081-R1083 HydrophobicContact CD2-CG 4.47Å; L1081-R1083 HydrophobicContact CG-CG 4.11Å; R1083-L1085 PolarHBondContact O-N 2.66Å; R1083-L1085 VanDerWaalsContact O-N 3.16Å
1084	D	86.8	Confident	85.6	Confident	141 Å²	141	58.8 Å²	58.8	75%	0.754	30%	0.298	S	S	*	.			trans	58.6	29.5	169.1	-50	-46.2	0	0	0	114.6	N1037	N1037-D1084 PolarHBondContact O-N 3.43Å
1085	L	88.9	Confident	86.4	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.021	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-73	145.2	172.9	-58.3	175	0	0	0	110.8	N1037 A1039 Y1059 I1082 R1083 P1087 Y1091 F1111 T1113	N1037-L1085 WeakPolarHBondContact CA-O 3.45Å; N1037-L1085 VanDerWaalsContact CB-O 3.25Å; N1037-L1085 WeakPolarHBondContact CB-O 3.39Å; N1037-L1085 PolarHBondContact O-N 3.04Å; A1039-L1085 HydrophobicContact CB-CD1 3.93Å; Y1059-L1085 HydrophobicContact CD2-CD2 4.01Å; Y1059-L1085 HydrophobicContact CE2-CD2 3.95Å; I1082-L1085 HydrophobicContact CG2-CD1 4.22Å; I1082-L1085 HydrophobicContact CG2-CD2 3.73Å; I1082-L1085 HydrophobicContact CG2-CG 4.06Å; R1083-L1085 PolarHBondContact O-N 2.66Å; R1083-L1085 VanDerWaalsContact O-N 3.16Å; L1085-P1087 WeakPolarHBondContact O-CD 3.19Å; L1085-Y1091 HydrophobicContact CB-CE2 4.02Å; L1085-Y1091 HydrophobicContact CD2-CD1 4.12Å; L1085-Y1091 HydrophobicContact CD2-CE1 3.68Å; L1085-Y1091 HydrophobicContact CD2-CE2 4.26Å; L1085-F1111 HydrophobicContact CD1-CE2 3.74Å; L1085-F1111 HydrophobicContact CD1-CZ 3.79Å; L1085-T1113 HydrophobicContact CB-CG2 3.95Å; L1085-T1113 HydrophobicContact CD1-CG2 4.13Å
1086	E	86.7	Confident	87.7	Confident	85 Å²	85	53.1 Å²	53.1	40%	0.397	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-66.1	128.3	173	-79.1	178.6	-127.8	0	0	110.6	K1061 K1089 Y1091 T1113	K1061-E1086 WeakPolarHBondContact CE-OE2 2.94Å; K1061-E1086 IonicContact NZ-OE1 3.33Å; K1061-E1086 PolarHBondContact NZ-OE1 2.81Å; K1061-E1086 IonicContact NZ-OE2 3.81Å; K1061-E1086 PolarHBondContact NZ-OE2 2.76Å; E1086-K1089 HydrophobicContact CB-CB 4.44Å; E1086-K1089 HydrophobicContact CB-CG 3.56Å; E1086-K1089 WeakPolarHBondContact OE2-CE 3.48Å; E1086-Y1091 PolarHBondContact N-OH 2.07Å; E1086-T1113 WeakPolarHBondContact O-CB 3.43Å; E1086-T1113 PolarHBondContact O-OG1 2.74Å
1087	P	83.3	Confident	88.8	Confident	43 Å²	43	48.5 Å²	48.5	28%	0.279	24%	0.238	S	C	.	.	S	Bend	trans	-63.7	149.9	171.8	-23.8	35.2	0	0	0	113.2	L1085 T1116	L1085-P1087 WeakPolarHBondContact O-CD 3.19Å; P1087-T1116 HydrophobicContact CG-CG2 4.04Å
1088	N	84	Confident	89.4	Confident	82 Å²	82	48.5 Å²	48.5	44%	0.439	23%	0.233	S	C	.	.	S	Bend	trans	57.9	46.1	178.5	-153.6	112.6	0	0	0	113.2	T1113 N1115	N1088-T1113 WeakPolarHBondContact CA-O 3.14Å; N1088-T1113 PolarHBondContact N-O 3.16Å; N1088-T1113 PolarHBondContact N-OG1 3.16Å; N1088-T1113 VanDerWaalsContact N-OG1 3.08Å; N1088-N1115 HydrophobicContact CB-CB 4.18Å
1089	K	89.1	Confident	89.5	Confident	79 Å²	79	45.3 Å²	45.3	34%	0.343	22%	0.219	S	C	.	.			trans	-134.4	146.1	176.2	-58.2	-59.5	167.3	-158.4	0	111.7	E1086 Y1091 H1112 T1113	E1086-K1089 HydrophobicContact CB-CB 4.44Å; E1086-K1089 HydrophobicContact CB-CG 3.56Å; E1086-K1089 WeakPolarHBondContact OE2-CE 3.48Å; K1089-Y1091 HydrophobicContact CB-CD2 4.23Å; K1089-Y1091 HydrophobicContact CB-CE2 3.82Å; K1089-H1112 WeakPolarHBondContact O-CA 3.48Å; K1089-T1113 PolarHBondContact N-OG1 2.77Å; K1089-T1113 PolarHBondContact O-N 3.23Å; K1089-T1113 PolarHBondContact O-OG1 2.77Å; K1089-T1113 VanDerWaalsContact O-OG1 3.12Å
1090	D	90.7	Very high	89	Confident	79 Å²	79	42.2 Å²	42.2	42%	0.422	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.6	166.9	-52.4	-75.9	0	0	0	110.5	L1062 H1112	L1062-D1090 HydrophobicContact CB-CB 3.71Å; L1062-D1090 WeakPolarHBondContact CB-O 3.16Å; L1062-D1090 HydrophobicContact CD2-CB 3.75Å; L1062-D1090 HydrophobicContact CG-CB 4.38Å; L1062-D1090 PolarHBondContact N-O 3.14Å; D1090-H1112 VanDerWaalsContact CG-ND1 3.34Å; D1090-H1112 IonicContact OD1-CE1 2.68Å; D1090-H1112 IonicContact OD1-CG 3.93Å; D1090-H1112 IonicContact OD1-ND1 2.74Å; D1090-H1112 PolarHBondContact OD1-ND1 2.94Å; D1090-H1112 IonicContact OD2-CE1 3.96Å; D1090-H1112 IonicContact OD2-ND1 2.73Å
1091	Y	93.2	Very high	88.6	Confident	9 Å²	9	49.3 Å²	49.3	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.8	175.2	-80.7	-90.8	0	0	0	110.2	S1060 K1061 L1085 E1086 K1089 Y1110 F1111 T1113	S1060-Y1091 CarbonylContact O-C 3.56Å; S1060-Y1091 WeakPolarHBondContact O-CA 3.3Å; S1060-Y1091 WeakPolarHBondContact O-CD1 3.02Å; K1061-Y1091 HydrophobicContact CB-CD1 4.22Å; K1061-Y1091 HydrophobicContact CB-CE1 3.83Å; L1085-Y1091 HydrophobicContact CB-CE2 4.02Å; L1085-Y1091 HydrophobicContact CD2-CD1 4.12Å; L1085-Y1091 HydrophobicContact CD2-CE1 3.68Å; L1085-Y1091 HydrophobicContact CD2-CE2 4.26Å; E1086-Y1091 PolarHBondContact N-OH 2.07Å; K1089-Y1091 HydrophobicContact CB-CD2 4.23Å; K1089-Y1091 HydrophobicContact CB-CE2 3.82Å; Y1091-Y1110 VanDerWaalsContact O-CA 3.3Å; Y1091-Y1110 WeakPolarHBondContact O-CA 3.5Å; Y1091-F1111 VanDerWaalsContact CB-CZ 3.47Å; Y1091-F1111 HydrophobicContact CD2-CE2 4.36Å; Y1091-F1111 HydrophobicContact CD2-CZ 4.45Å; Y1091-F1111 HydrophobicContact CG-CE1 4.49Å; Y1091-F1111 HydrophobicContact CG-CE2 4.36Å; Y1091-F1111 HydrophobicContact CG-CZ 4.01Å; Y1091-F1111 PolarHBondContact N-O 3.12Å; Y1091-F1111 PolarHBondContact O-N 2.91Å; Y1091-T1113 HydrophobicContact CD2-CG2 3.92Å; Y1091-T1113 HydrophobicContact CE2-CG2 3.95Å
1092	V	92.8	Very high	88.4	Confident	14 Å²	14	51.3 Å²	51.3	9%	0.085	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.4	167.3	60.8	0	0	0	0	108.8	Y1059 S1060 L1062 W1067 A1108 Q1109 Y1110	Y1059-V1092 CarbonylContact C-O 3.53Å; Y1059-V1092 VanDerWaalsContact CA-O 3.28Å; Y1059-V1092 WeakPolarHBondContact CA-O 3.14Å; S1060-V1092 PolarHBondContact N-O 2.94Å; S1060-V1092 WeakPolarHBondContact O-CG1 3.46Å; S1060-V1092 PolarHBondContact O-N 2.85Å; L1062-V1092 HydrophobicContact CD1-CB 4.4Å; W1067-V1092 HydrophobicContact CH2-CG1 3.63Å; W1067-V1092 HydrophobicContact CH2-CG2 4.16Å; W1067-V1092 HydrophobicContact CZ2-CG1 4.12Å; W1067-V1092 HydrophobicContact CZ3-CG1 4.17Å; V1092-A1108 HydrophobicContact CG2-CB 3.82Å; V1092-Q1109 WeakPolarHBondContact CA-O 3.03Å; V1092-Y1110 HydrophobicContact CB-CD1 3.82Å; V1092-Y1110 HydrophobicContact CB-CE1 3.7Å; V1092-Y1110 HydrophobicContact CG2-CD1 3.91Å; V1092-Y1110 HydrophobicContact CG2-CE1 3.46Å; V1092-Y1110 VanDerWaalsContact CG2-CE1 3.46Å
1093	V	93.5	Very high	88.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.8	-176.7	56.5	0	0	0	0	111.3	M1029 V1031 V1041 V1057 N1058 I1082 A1108 Q1109 F1111	M1029-V1093 HydrophobicContact CE-CG1 4.12Å; M1029-V1093 WeakPolarHBondContact CE-O 3.45Å; V1031-V1093 HydrophobicContact CB-CG1 4.16Å; V1031-V1093 HydrophobicContact CG1-CG1 4.06Å; V1031-V1093 HydrophobicContact CG2-CG1 4.34Å; V1041-V1093 HydrophobicContact CG2-CG2 4.03Å; V1057-V1093 HydrophobicContact CG1-CG2 3.34Å; N1058-V1093 CarbonylContact O-C 3.52Å; N1058-V1093 WeakPolarHBondContact O-CA 3.25Å; N1058-V1093 WeakPolarHBondContact O-CG2 3.09Å; I1082-V1093 HydrophobicContact CD1-CG2 4.19Å; V1093-A1108 CarbonylContact O-C 3.59Å; V1093-A1108 VanDerWaalsContact O-CA 3.32Å; V1093-A1108 WeakPolarHBondContact O-CA 3.49Å; V1093-Q1109 HydrophobicContact CG1-CB 4.43Å; V1093-Q1109 PolarHBondContact N-O 3.01Å; V1093-Q1109 PolarHBondContact O-N 2.91Å; V1093-F1111 HydrophobicContact CB-CE1 4.06Å; V1093-F1111 HydrophobicContact CG1-CD1 3.74Å; V1093-F1111 HydrophobicContact CG1-CE1 3.62Å
1094	H	93	Very high	88.6	Confident	11 Å²	11	48.8 Å²	48.8	5%	0.051	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	145.1	172.1	61.2	-94.1	0	0	0	111.8	N1058 W1067 Q1105 S1106	N1058-H1094 PolarHBondContact N-O 2.97Å; N1058-H1094 PolarHBondContact O-N 2.8Å; W1067-H1094 AromaticContact CE3-CE1 3.86Å; W1067-H1094 AromaticContact CH2-CE1 3.5Å; W1067-H1094 VanDerWaalsContact CH2-CE1 3.5Å; W1067-H1094 WeakPolarHBondContact CH2-CE1 3.13Å; W1067-H1094 AromaticContact CH2-ND1 3.43Å; W1067-H1094 WeakPolarHBondContact CH2-ND1 3.08Å; W1067-H1094 AromaticContact CZ3-CE1 3.3Å; W1067-H1094 WeakPolarHBondContact CZ3-CE1 3.19Å; W1067-H1094 AromaticContact CZ3-ND1 3.28Å; W1067-H1094 VanDerWaalsContact CZ3-ND1 3.28Å; W1067-H1094 WeakPolarHBondContact CZ3-ND1 2.98Å; H1094-Q1105 PolarHBondContact NE2-NE2 3.28Å; H1094-Q1105 VanDerWaalsContact NE2-NE2 3.19Å; H1094-Q1105 PolarHBondContact NE2-OE1 3.38Å; H1094-S1106 WeakPolarHBondContact CA-OG 3.36Å; H1094-S1106 WeakPolarHBondContact CB-OG 3.36Å
1095	V	93	Very high	88.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.6	173.3	175.1	0	0	0	0	108.5	P1027 M1029 V1041 W1043 F1055 V1057 Q1105 S1106	P1027-V1095 HydrophobicContact CB-CG1 4.26Å; P1027-V1095 HydrophobicContact CG-CB 4.05Å; P1027-V1095 HydrophobicContact CG-CG1 3.71Å; M1029-V1095 HydrophobicContact CB-CB 4.47Å; M1029-V1095 HydrophobicContact CB-CG2 3.81Å; M1029-V1095 HydrophobicContact CG-CG2 4.26Å; M1029-V1095 HydrophobicContact SD-CB 4.09Å; M1029-V1095 HydrophobicContact SD-CG2 3.51Å; M1029-V1095 VanDerWaalsContact SD-CG2 3.51Å; M1029-V1095 PolarHBondContact SD-N 3.05Å; M1029-V1095 VanDerWaalsContact SD-N 3.42Å; V1041-V1095 HydrophobicContact CG1-CG2 3.85Å; W1043-V1095 HydrophobicContact CB-CB 4.47Å; W1043-V1095 HydrophobicContact CB-CG1 4.16Å; W1043-V1095 HydrophobicContact CB-CG2 3.98Å; W1043-V1095 HydrophobicContact CD2-CG1 4Å; W1043-V1095 HydrophobicContact CD2-CG2 4.22Å; W1043-V1095 HydrophobicContact CE3-CG1 4.41Å; W1043-V1095 HydrophobicContact CE3-CG2 3.95Å; W1043-V1095 HydrophobicContact CG-CG1 3.86Å; W1043-V1095 HydrophobicContact CG-CG2 4.26Å; F1055-V1095 HydrophobicContact CD1-CG1 4.24Å; V1057-V1095 HydrophobicContact CG2-CG2 3.85Å; V1095-Q1105 CarbonylContact O-C 3.58Å; V1095-S1106 PolarHBondContact N-OG 2.85Å; V1095-S1106 PolarHBondContact O-N 3.09Å
1096	V	91.9	Very high	88.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.6	174.7	-166.7	0	0	0	0	108.6	F1055 Y1056 N1058 I1103 T1104 Q1105	F1055-V1096 CarbonylContact C-O 3.53Å; F1055-V1096 VanDerWaalsContact CA-O 3.26Å; F1055-V1096 WeakPolarHBondContact CA-O 3.48Å; Y1056-V1096 HydrophobicContact CD1-CB 3.97Å; Y1056-V1096 HydrophobicContact CD1-CG1 4.4Å; Y1056-V1096 HydrophobicContact CD2-CB 4.25Å; Y1056-V1096 HydrophobicContact CD2-CG2 4.17Å; Y1056-V1096 HydrophobicContact CE1-CB 3.67Å; Y1056-V1096 HydrophobicContact CE1-CG1 3.65Å; Y1056-V1096 HydrophobicContact CE1-CG2 4.39Å; Y1056-V1096 HydrophobicContact CE2-CB 3.98Å; Y1056-V1096 HydrophobicContact CE2-CG1 4.38Å; Y1056-V1096 HydrophobicContact CE2-CG2 3.78Å; Y1056-V1096 HydrophobicContact CG-CB 4.27Å; Y1056-V1096 PolarHBondContact N-O 2.84Å; Y1056-V1096 PolarHBondContact O-N 2.87Å; N1058-V1096 HydrophobicContact CB-CG2 4.31Å; V1096-I1103 HydrophobicContact CG1-CB 3.72Å; V1096-I1103 HydrophobicContact CG1-CD1 4.32Å; V1096-I1103 HydrophobicContact CG1-CG2 4Å; V1096-T1104 CarbonylContact C-O 3.57Å; V1096-T1104 VanDerWaalsContact CA-O 3.32Å; V1096-T1104 WeakPolarHBondContact CA-O 3.47Å; V1096-Q1105 HydrophobicContact CG1-CG 4.39Å; V1096-Q1105 HydrophobicContact CG2-CG 4.25Å
1097	S	90.1	Very high	89.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.6	165.2	54.7	0	0	0	0	110	P1024 A1025 P1051 I1103 T1104	P1024-S1097 WeakPolarHBondContact CG-O 3.46Å; A1025-S1097 PolarHBondContact O-OG 3.23Å; P1051-S1097 WeakPolarHBondContact O-CB 3Å; S1097-I1103 CarbonylContact O-C 3.48Å; S1097-I1103 VanDerWaalsContact O-CA 3.23Å; S1097-I1103 WeakPolarHBondContact O-CA 2.94Å; S1097-T1104 PolarHBondContact N-O 3.14Å; S1097-T1104 PolarHBondContact O-N 3.37Å; S1097-T1104 PolarHBondContact OG-O 3.02Å
1098	K	88.3	Confident	89.4	Confident	58 Å²	58	48.2 Å²	48.2	25%	0.252	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.5	-174.8	-177.5	177.1	173.7	-177.3	0	112	G1052 T1053 A1054 M1072 G1100 R1102 I1103	G1052-K1098 CarbonylContact C-O 3.46Å; G1052-K1098 VanDerWaalsContact CA-O 3.3Å; G1052-K1098 WeakPolarHBondContact CA-O 3.39Å; T1053-K1098 PolarHBondContact N-O 2.78Å; T1053-K1098 PolarHBondContact OG1-O 2.02Å; A1054-K1098 PolarHBondContact N-O 2.84Å; A1054-K1098 PolarHBondContact O-N 2.94Å; M1072-K1098 HydrophobicContact CE-CD 3.62Å; M1072-K1098 HydrophobicContact SD-CD 3.94Å; K1098-G1100 WeakPolarHBondContact CE-O 3.35Å; K1098-R1102 CarbonylContact C-O 3.58Å; K1098-R1102 VanDerWaalsContact CA-O 3.29Å; K1098-R1102 WeakPolarHBondContact CA-O 3.35Å; K1098-I1103 HydrophobicContact CB-CG2 3.95Å; K1098-I1103 HydrophobicContact CD-CG2 4.36Å; K1098-I1103 HydrophobicContact CG-CG2 3.86Å
1099	D	85.3	Confident	89.7	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	113.2	169	-175.8	74.2	0	0	0	109.3	G939 S940 P1024 M1050 T1053 D1101 R1102	G939-D1099 WeakPolarHBondContact CA-OD1 3.26Å; S940-D1099 VanDerWaalsContact CB-OD2 3.31Å; S940-D1099 WeakPolarHBondContact CB-OD2 3.26Å; S940-D1099 PolarHBondContact N-OD1 3.28Å; S940-D1099 PolarHBondContact OG-OD1 2.86Å; S940-D1099 PolarHBondContact OG-OD2 3.4Å; P1024-D1099 HydrophobicContact CB-CB 4.48Å; M1050-D1099 HydrophobicContact CE-CB 3.45Å; M1050-D1099 VanDerWaalsContact CE-CB 3.45Å; M1050-D1099 VanDerWaalsContact CE-CG 3.49Å; M1050-D1099 HydrophobicContact SD-CB 4.41Å; T1053-D1099 WeakPolarHBondContact CG2-OD1 3.05Å; D1099-D1101 PolarHBondContact O-N 3.48Å; D1099-R1102 PolarHBondContact N-O 2.78Å; D1099-R1102 WeakPolarHBondContact O-CB 3.41Å; D1099-R1102 PolarHBondContact O-N 2.85Å
1100	G	80.3	Confident	89.8	Confident	43 Å²	43	50.8 Å²	50.8	44%	0.443	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-122.3	-168.3	0	0	0	0	0	111.1	K1098	K1098-G1100 WeakPolarHBondContact CE-O 3.35Å
1101	D	81.2	Confident	89.7	Confident	164 Å²	164	48.2 Å²	48.2	88%	0.877	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.9	174.3	-62.7	-53.1	0	0	0	114	D1099	D1099-D1101 PolarHBondContact O-N 3.48Å
1102	R	87.7	Confident	89.5	Confident	95 Å²	95	51.4 Å²	51.4	36%	0.358	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	139.2	-178.1	-60.8	173.2	174.8	-91.4	4	110.6	Q1022 D1023 K1098 D1099	Q1022-R1102 VanDerWaalsContact C-CD 3.49Å; Q1022-R1102 WeakPolarHBondContact O-CD 3.34Å; D1023-R1102 VanDerWaalsContact CG-NH1 3.34Å; D1023-R1102 WeakPolarHBondContact OD1-CB 3.32Å; D1023-R1102 VanDerWaalsContact OD1-CD 3.28Å; D1023-R1102 WeakPolarHBondContact OD1-CD 3.14Å; D1023-R1102 WeakPolarHBondContact OD1-CG 3.42Å; D1023-R1102 IonicContact OD1-CZ 3.03Å; D1023-R1102 IonicContact OD1-NE 2.78Å; D1023-R1102 IonicContact OD1-NH1 3.84Å; D1023-R1102 PolarHBondContact OD1-NH1 3.37Å; D1023-R1102 IonicContact OD2-NH1 2.69Å; D1023-R1102 PolarHBondContact OD2-NH1 2.96Å; K1098-R1102 CarbonylContact C-O 3.58Å; K1098-R1102 VanDerWaalsContact CA-O 3.29Å; K1098-R1102 WeakPolarHBondContact CA-O 3.35Å; D1099-R1102 PolarHBondContact N-O 2.78Å; D1099-R1102 WeakPolarHBondContact O-CB 3.41Å; D1099-R1102 PolarHBondContact O-N 2.85Å
1103	I	90.6	Very high	89	Confident	79 Å²	79	50.7 Å²	50.7	41%	0.405	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.3	179.5	56.8	168.7	0	0	0	112.7	V1096 S1097 K1098	V1096-I1103 HydrophobicContact CG1-CB 3.72Å; V1096-I1103 HydrophobicContact CG1-CD1 4.32Å; V1096-I1103 HydrophobicContact CG1-CG2 4Å; S1097-I1103 CarbonylContact O-C 3.48Å; S1097-I1103 VanDerWaalsContact O-CA 3.23Å; S1097-I1103 WeakPolarHBondContact O-CA 2.94Å; K1098-I1103 HydrophobicContact CB-CG2 3.95Å; K1098-I1103 HydrophobicContact CD-CG2 4.36Å; K1098-I1103 HydrophobicContact CG-CG2 3.86Å
1104	T	90.8	Very high	88.2	Confident	36 Å²	36	53.3 Å²	53.3	22%	0.221	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.6	174.1	-64	0	0	0	0	109.7	P1024 K1026 V1096 S1097	P1024-T1104 WeakPolarHBondContact O-CB 3.35Å; P1024-T1104 WeakPolarHBondContact O-CG2 3.09Å; P1024-T1104 PolarHBondContact O-OG1 3.25Å; K1026-T1104 HydrophobicContact CB-CG2 4.09Å; V1096-T1104 CarbonylContact C-O 3.57Å; V1096-T1104 VanDerWaalsContact CA-O 3.32Å; V1096-T1104 WeakPolarHBondContact CA-O 3.47Å; S1097-T1104 PolarHBondContact N-O 3.14Å; S1097-T1104 PolarHBondContact O-N 3.37Å; S1097-T1104 PolarHBondContact OG-O 3.02Å
1105	Q	90.6	Very high	86.7	Confident	95 Å²	95	56.1 Å²	56.1	44%	0.444	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.8	-176	-59.3	-174.6	-18.6	0	0	110.8	K1026 H1094 V1095 V1096	K1026-Q1105 WeakPolarHBondContact CE-O 3.43Å; K1026-Q1105 WeakPolarHBondContact CG-O 3.34Å; H1094-Q1105 PolarHBondContact NE2-NE2 3.28Å; H1094-Q1105 VanDerWaalsContact NE2-NE2 3.19Å; H1094-Q1105 PolarHBondContact NE2-OE1 3.38Å; V1095-Q1105 CarbonylContact O-C 3.58Å; V1096-Q1105 HydrophobicContact CG1-CG 4.39Å; V1096-Q1105 HydrophobicContact CG2-CG 4.25Å
1106	S	91.5	Very high	84.9	Confident	9 Å²	9	60.7 Å²	60.7	6%	0.063	32%	0.318	C	S	.	.			trans	-60.4	175.1	170.7	73.1	0	0	0	0	111.7	P1027 M1029 H1094 V1095	P1027-S1106 VanDerWaalsContact O-CB 3.27Å; P1027-S1106 WeakPolarHBondContact O-CB 3.3Å; M1029-S1106 PolarHBondContact SD-OG 3.29Å; H1094-S1106 WeakPolarHBondContact CA-OG 3.36Å; H1094-S1106 WeakPolarHBondContact CB-OG 3.36Å; V1095-S1106 PolarHBondContact N-OG 2.85Å; V1095-S1106 PolarHBondContact O-N 3.09Å
1107	D	89.6	Confident	82.9	Confident	114 Å²	114	66.1 Å²	66.1	61%	0.61	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-65.8	140.5	159.8	-74.1	-56.9	0	0	0	108.9	K1026	K1026-D1107 WeakPolarHBondContact CE-OD2 3.49Å; K1026-D1107 IonicContact NZ-OD1 3.94Å; K1026-D1107 PolarHBondContact NZ-OD1 2.78Å; K1026-D1107 IonicContact NZ-OD2 3.15Å; K1026-D1107 PolarHBondContact NZ-OD2 2.64Å
1108	A	89.7	Confident	80.7	Confident	42 Å²	42	71.4 Å²	71.4	35%	0.347	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-76.2	127.4	178.5	0	0	0	0	0	109.7	V1092 V1093	V1092-A1108 HydrophobicContact CG2-CB 3.82Å; V1093-A1108 CarbonylContact O-C 3.59Å; V1093-A1108 VanDerWaalsContact O-CA 3.32Å; V1093-A1108 WeakPolarHBondContact O-CA 3.49Å
1109	Q	91.1	Very high	78.2	Confident	62 Å²	62	74.9 Å²	74.9	29%	0.29	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	154.7	170.8	-69.3	177	1.2	0	0	110.2	M1029 V1031 V1092 V1093	M1029-Q1109 HydrophobicContact CE-CB 3.52Å; M1029-Q1109 HydrophobicContact CE-CG 3.59Å; M1029-Q1109 PolarHBondContact O-NE2 3.03Å; V1031-Q1109 HydrophobicContact CG1-CB 4.05Å; V1031-Q1109 VanDerWaalsContact N-OE1 3.17Å; V1092-Q1109 WeakPolarHBondContact CA-O 3.03Å; V1093-Q1109 HydrophobicContact CG1-CB 4.43Å; V1093-Q1109 PolarHBondContact N-O 3.01Å; V1093-Q1109 PolarHBondContact O-N 2.91Å
1110	Y	90.8	Very high	75.6	Confident	154 Å²	154	84 Å²	84	60%	0.604	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.7	-177	-58.2	-91.9	0	0	0	108.6	L1062 Y1091 V1092	L1062-Y1110 HydrophobicContact CD1-CD1 3.95Å; L1062-Y1110 HydrophobicContact CD1-CE1 3.83Å; Y1091-Y1110 VanDerWaalsContact O-CA 3.3Å; Y1091-Y1110 WeakPolarHBondContact O-CA 3.5Å; V1092-Y1110 HydrophobicContact CB-CD1 3.82Å; V1092-Y1110 HydrophobicContact CB-CE1 3.7Å; V1092-Y1110 HydrophobicContact CG2-CD1 3.91Å; V1092-Y1110 HydrophobicContact CG2-CE1 3.46Å; V1092-Y1110 VanDerWaalsContact CG2-CE1 3.46Å
1111	F	89.1	Confident	73.5	Confident	24 Å²	24	90.9 Å²	90.9	11%	0.105	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.8	178.6	70	-84.1	0	0	0	110.9	V1031 L1033 A1039 L1085 Y1091 V1093 T1113	V1031-F1111 HydrophobicContact CB-CD1 4.43Å; V1031-F1111 HydrophobicContact CG1-CB 4.1Å; V1031-F1111 HydrophobicContact CG1-CD1 3.93Å; V1031-F1111 HydrophobicContact CG1-CG 4.27Å; V1031-F1111 HydrophobicContact CG2-CD1 3.76Å; V1031-F1111 HydrophobicContact CG2-CE1 3.98Å; V1031-F1111 HydrophobicContact CG2-CG 4.07Å; V1031-F1111 HydrophobicContact CG2-CZ 4.46Å; L1033-F1111 HydrophobicContact CD2-CD2 3.86Å; L1033-F1111 HydrophobicContact CD2-CE2 4.31Å; A1039-F1111 HydrophobicContact CB-CD2 4.28Å; A1039-F1111 HydrophobicContact CB-CE1 4.49Å; A1039-F1111 HydrophobicContact CB-CE2 3.59Å; A1039-F1111 HydrophobicContact CB-CZ 3.71Å; L1085-F1111 HydrophobicContact CD1-CE2 3.74Å; L1085-F1111 HydrophobicContact CD1-CZ 3.79Å; Y1091-F1111 VanDerWaalsContact CB-CZ 3.47Å; Y1091-F1111 HydrophobicContact CD2-CE2 4.36Å; Y1091-F1111 HydrophobicContact CD2-CZ 4.45Å; Y1091-F1111 HydrophobicContact CG-CE1 4.49Å; Y1091-F1111 HydrophobicContact CG-CE2 4.36Å; Y1091-F1111 HydrophobicContact CG-CZ 4.01Å; Y1091-F1111 PolarHBondContact N-O 3.12Å; Y1091-F1111 PolarHBondContact O-N 2.91Å; V1093-F1111 HydrophobicContact CB-CE1 4.06Å; V1093-F1111 HydrophobicContact CG1-CD1 3.74Å; V1093-F1111 HydrophobicContact CG1-CE1 3.62Å; F1111-T1113 HydrophobicContact CE2-CG2 4.11Å
1112	H	87.8	Confident	71.1	Confident	76 Å²	76	91.7 Å²	91.7	35%	0.352	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.8	-179.1	-167.8	94.9	0	0	0	109.7	L1033 K1089 D1090	L1033-H1112 WeakPolarHBondContact CD1-O 3.19Å; K1089-H1112 WeakPolarHBondContact O-CA 3.48Å; D1090-H1112 VanDerWaalsContact CG-ND1 3.34Å; D1090-H1112 IonicContact OD1-CE1 2.68Å; D1090-H1112 IonicContact OD1-CG 3.93Å; D1090-H1112 IonicContact OD1-ND1 2.74Å; D1090-H1112 PolarHBondContact OD1-ND1 2.94Å; D1090-H1112 IonicContact OD2-CE1 3.96Å; D1090-H1112 IonicContact OD2-ND1 2.73Å
1113	T	84.1	Confident	68.6	Low	0 Å²	0	93.7 Å²	93.7	0%	0	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-72.9	135.1	175.9	51.5	0	0	0	0	110.8	L1085 E1086 N1088 K1089 Y1091 F1111	L1085-T1113 HydrophobicContact CB-CG2 3.95Å; L1085-T1113 HydrophobicContact CD1-CG2 4.13Å; E1086-T1113 WeakPolarHBondContact O-CB 3.43Å; E1086-T1113 PolarHBondContact O-OG1 2.74Å; N1088-T1113 WeakPolarHBondContact CA-O 3.14Å; N1088-T1113 PolarHBondContact N-O 3.16Å; N1088-T1113 PolarHBondContact N-OG1 3.16Å; N1088-T1113 VanDerWaalsContact N-OG1 3.08Å; K1089-T1113 PolarHBondContact N-OG1 2.77Å; K1089-T1113 PolarHBondContact O-N 3.23Å; K1089-T1113 PolarHBondContact O-OG1 2.77Å; K1089-T1113 VanDerWaalsContact O-OG1 3.12Å; Y1091-T1113 HydrophobicContact CD2-CG2 3.92Å; Y1091-T1113 HydrophobicContact CE2-CG2 3.95Å; F1111-T1113 HydrophobicContact CE2-CG2 4.11Å
1114	V	76.7	Confident	66.1	Low	55 Å²	55	93.8 Å²	93.8	33%	0.333	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-80	147.8	-179.2	-65.9	0	0	0	0	112.4	L1033 S1036 L1119	L1033-V1114 HydrophobicContact CD1-CG1 4.24Å; S1036-V1114 VanDerWaalsContact CB-O 3.27Å; S1036-V1114 WeakPolarHBondContact CB-O 3.48Å; V1114-L1119 HydrophobicContact CG2-CD1 4.16Å
1115	N	60.1	Low	63.8	Low	70 Å²	70	97.5 Å²	97.5	37%	0.374	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-66.3	142	179.4	-167.2	4.8	0	0	0	111.7	N1088 T1117 V1118	N1088-N1115 HydrophobicContact CB-CB 4.18Å; N1115-T1117 PolarHBondContact O-N 2.84Å; N1115-V1118 PolarHBondContact O-N 2.86Å
1116	T	54.6	Low	61.6	Low	95 Å²	95	100 Å²	100	58%	0.583	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.1	-173.2	22.2	0	0	0	0	115.6	P1087	P1087-T1116 HydrophobicContact CG-CG2 4.04Å
1117	T	49.9	Very low	59.3	Low	115 Å²	115	106.8 Å²	106.8	71%	0.706	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	2.1	179.5	58	0	0	0	0	114.5	N1115	N1115-T1117 PolarHBondContact O-N 2.84Å
1118	V	43.9	Very low	57.5	Low	110 Å²	110	104.5 Å²	104.5	67%	0.667	55%	0.55	S	S	*	*	S	Bend	trans	-133.6	73	178.8	-169.9	0	0	0	0	110.5	N1115	N1115-V1118 PolarHBondContact O-N 2.86Å
1119	L	36.5	Very low	55.7	Low	132 Å²	132	108.2 Å²	108.2	69%	0.691	56%	0.564	S	S	*	*			trans	-166.5	54.8	159.8	-109.6	171.7	0	0	0	109.8	V1114	V1114-L1119 HydrophobicContact CG2-CD1 4.16Å
1120	Q	31.1	Very low	54.1	Low	195 Å²	195	109.8 Å²	109.8	91%	0.911	58%	0.578	S	S	*	*			trans	-134.8	52.1	176.6	-143.8	-179.9	7.6	0	0	110.3
1121	E	35.9	Very low	52.5	Low	187 Å²	187	105.2 Å²	105.2	87%	0.874	57%	0.572	S	S	*	*			trans	-116.4	146.9	172.3	-86.3	-173.4	140.8	0	0	111.6	V1123	E1121-V1123 PolarHBondContact O-N 2.66Å
1122	E	31.8	Very low	51.5	Low	181 Å²	181	108 Å²	108	85%	0.846	59%	0.591	S	S	*	*			trans	-85.1	105.4	-161	-58.1	170.1	127.3	0	0	111.6	T1124	E1122-T1124 HydrophobicContact CB-CG2 4.43Å; E1122-T1124 PolarHBondContact O-N 2.81Å; E1122-T1124 VanDerWaalsContact O-N 3.08Å
1123	V	34.5	Very low	50.7	Low	136 Å²	136	107.1 Å²	107.1	82%	0.824	60%	0.596	S	S	*	*			trans	-76.2	95.7	160.9	-178.6	0	0	0	0	107.9	E1121	E1121-V1123 PolarHBondContact O-N 2.66Å
1124	T	38.8	Very low	50.2	Low	81 Å²	81	115.6 Å²	115.6	50%	0.497	63%	0.628	S	S	.	*			trans	-65.2	148.2	-177.2	55.4	0	0	0	0	112.3	E1122 E1126	E1122-T1124 HydrophobicContact CB-CG2 4.43Å; E1122-T1124 PolarHBondContact O-N 2.81Å; E1122-T1124 VanDerWaalsContact O-N 3.08Å; T1124-E1126 PolarHBondContact O-N 3.26Å
1125	V	41.1	Very low	50	Low	114 Å²	114	119.2 Å²	119.2	69%	0.691	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-3.1	-169.7	179.4	0	0	0	0	113.7	Q1127 S1128	V1125-Q1127 PolarHBondContact O-N 2.69Å; V1125-S1128 PolarHBondContact O-OG 2.84Å
1126	E	44.2	Very low	51	Low	149 Å²	149	120.7 Å²	120.7	70%	0.696	65%	0.647	S	S	*	*	H	α-helix	trans	-69.7	-30	-175.8	-65.1	-169.6	116.1	0	0	114	T1124 L1129	T1124-E1126 PolarHBondContact O-N 3.26Å; E1126-L1129 PolarHBondContact O-N 2.79Å
1127	Q	43.6	Very low	52.2	Low	150 Å²	150	118.7 Å²	118.7	70%	0.701	64%	0.64	S	S	*	*	H	α-helix	trans	-78.5	-18.2	-177.8	-65.9	-167.9	-1.9	0	0	114.2	V1125 T1130	V1125-Q1127 PolarHBondContact O-N 2.69Å; Q1127-T1130 PolarHBondContact O-OG1 2.76Å; Q1127-T1130 VanDerWaalsContact O-OG1 3.12Å
1128	S	51.3	Low	53.7	Low	67 Å²	67	116.6 Å²	116.6	47%	0.469	63%	0.626	S	S	.	*	H	α-helix	trans	-73.6	-33.2	172.3	57.1	0	0	0	0	112.2	V1125 V1132	V1125-S1128 PolarHBondContact O-OG 2.84Å; S1128-V1132 WeakPolarHBondContact O-CB 3.11Å; S1128-V1132 WeakPolarHBondContact O-CG2 3.31Å; S1128-V1132 PolarHBondContact O-N 3.48Å
1129	L	51.9	Low	55.5	Low	120 Å²	120	114.9 Å²	114.9	63%	0.628	62%	0.616	S	S	*	*	H	α-helix	trans	-69.3	-36.4	-179.8	-79.6	167	0	0	0	112.3	E1126 A1133	E1126-L1129 PolarHBondContact O-N 2.79Å; L1129-A1133 WeakPolarHBondContact O-CB 3.04Å; L1129-A1133 PolarHBondContact O-N 2.82Å
1130	T	57.9	Low	57.7	Low	94 Å²	94	111 Å²	111	58%	0.577	60%	0.6	S	S	*	*	H	α-helix	trans	-70.4	-38.9	177	54.6	0	0	0	0	112.2	Q1127 A1133 W1134	Q1127-T1130 PolarHBondContact O-OG1 2.76Å; Q1127-T1130 VanDerWaalsContact O-OG1 3.12Å; T1130-A1133 PolarHBondContact O-N 2.6Å; T1130-W1134 VanDerWaalsContact O-CB 3.28Å; T1130-W1134 WeakPolarHBondContact O-CB 3.38Å; T1130-W1134 PolarHBondContact O-N 3.18Å
1131	A	58.7	Low	60.3	Low	58 Å²	58	103.9 Å²	103.9	48%	0.479	58%	0.575	S	S	.	*	H	α-helix	trans	-65	-44.2	174.2	0	0	0	0	0	112.3	W1134 F1135	A1131-W1134 PolarHBondContact O-N 2.77Å; A1131-F1135 WeakPolarHBondContact O-CB 3.11Å; A1131-F1135 PolarHBondContact O-N 3.16Å
1132	V	67.1	Low	62.6	Low	83 Å²	83	96.4 Å²	96.4	50%	0.503	55%	0.548	S	S	.	.	H	α-helix	trans	-67.4	-41.3	175.8	171.1	0	0	0	0	111.4	S1128 F1135 I1136	S1128-V1132 WeakPolarHBondContact O-CB 3.11Å; S1128-V1132 WeakPolarHBondContact O-CG2 3.31Å; S1128-V1132 PolarHBondContact O-N 3.48Å; V1132-F1135 PolarHBondContact O-N 3.01Å; V1132-I1136 HydrophobicContact CG1-CD1 3.77Å; V1132-I1136 HydrophobicContact CG1-CG1 4.44Å; V1132-I1136 WeakPolarHBondContact O-CB 3.26Å; V1132-I1136 VanDerWaalsContact O-CG1 3.28Å; V1132-I1136 WeakPolarHBondContact O-CG1 3.44Å; V1132-I1136 PolarHBondContact O-N 3.25Å
1133	A	71.6	Confident	65	Low	57 Å²	57	90.5 Å²	90.5	47%	0.471	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-38.5	175.3	0	0	0	0	0	112.2	L1129 T1130 I1136 A1137	L1129-A1133 WeakPolarHBondContact O-CB 3.04Å; L1129-A1133 PolarHBondContact O-N 2.82Å; T1130-A1133 PolarHBondContact O-N 2.6Å; A1133-I1136 PolarHBondContact O-N 2.9Å; A1133-A1137 VanDerWaalsContact O-CB 3.26Å; A1133-A1137 WeakPolarHBondContact O-CB 3.39Å; A1133-A1137 PolarHBondContact O-N 2.74Å
1134	W	72.7	Confident	67.5	Low	178 Å²	178	88.5 Å²	88.5	67%	0.674	51%	0.51	S	S	*	.	H	α-helix	trans	-65.4	-43.2	173.1	-179.9	85.3	0	0	0	111.8	T1130 A1131 I1136 A1137 V1138	T1130-W1134 VanDerWaalsContact O-CB 3.28Å; T1130-W1134 WeakPolarHBondContact O-CB 3.38Å; T1130-W1134 PolarHBondContact O-N 3.18Å; A1131-W1134 PolarHBondContact O-N 2.77Å; W1134-I1136 PolarHBondContact O-N 2.6Å; W1134-A1137 WeakPolarHBondContact O-CB 3.15Å; W1134-A1137 PolarHBondContact O-N 2.69Å; W1134-V1138 HydrophobicContact CD2-CG2 4.03Å; W1134-V1138 HydrophobicContact CE3-CG2 4.36Å; W1134-V1138 HydrophobicContact CH2-CG2 4.15Å; W1134-V1138 HydrophobicContact CZ2-CG2 3.79Å; W1134-V1138 HydrophobicContact CZ3-CG2 4.42Å; W1134-V1138 WeakPolarHBondContact O-CG2 3.49Å; W1134-V1138 PolarHBondContact O-N 3.19Å
1135	F	73.2	Confident	69.7	Low	132 Å²	132	89.3 Å²	89.3	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-62.1	-44.3	175.4	-172.8	-99.3	0	0	0	111.8	A1131 V1132 A1137 V1138 V1139	A1131-F1135 WeakPolarHBondContact O-CB 3.11Å; A1131-F1135 PolarHBondContact O-N 3.16Å; V1132-F1135 PolarHBondContact O-N 3.01Å; F1135-A1137 VanDerWaalsContact C-N 3.33Å; F1135-A1137 PolarHBondContact O-N 3.33Å; F1135-V1138 PolarHBondContact O-N 2.56Å; F1135-V1139 HydrophobicContact CD1-CG2 4.14Å; F1135-V1139 HydrophobicContact CE1-CG2 3.8Å; F1135-V1139 HydrophobicContact CE2-CG2 4.43Å; F1135-V1139 HydrophobicContact CZ-CG2 3.96Å; F1135-V1139 WeakPolarHBondContact O-CB 3.22Å; F1135-V1139 WeakPolarHBondContact O-CG2 3.42Å; F1135-V1139 PolarHBondContact O-N 3.08Å
1136	I	80.2	Confident	71.7	Confident	101 Å²	101	89.1 Å²	89.1	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-62.5	-39.7	173.6	-69.2	167.4	0	0	0	111	V1132 A1133 W1134 S1140	V1132-I1136 HydrophobicContact CG1-CD1 3.77Å; V1132-I1136 HydrophobicContact CG1-CG1 4.44Å; V1132-I1136 WeakPolarHBondContact O-CB 3.26Å; V1132-I1136 VanDerWaalsContact O-CG1 3.28Å; V1132-I1136 WeakPolarHBondContact O-CG1 3.44Å; V1132-I1136 PolarHBondContact O-N 3.25Å; A1133-I1136 PolarHBondContact O-N 2.9Å; W1134-I1136 PolarHBondContact O-N 2.6Å; I1136-S1140 VanDerWaalsContact O-CB 3.25Å; I1136-S1140 WeakPolarHBondContact O-CB 3.25Å; I1136-S1140 PolarHBondContact O-N 2.79Å; I1136-S1140 PolarHBondContact O-OG 3.35Å
1137	A	79.6	Confident	73.7	Confident	52 Å²	52	87 Å²	87	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-41.2	175.1	0	0	0	0	0	112.2	A1133 W1134 F1135 S1140 A1141	A1133-A1137 VanDerWaalsContact O-CB 3.26Å; A1133-A1137 WeakPolarHBondContact O-CB 3.39Å; A1133-A1137 PolarHBondContact O-N 2.74Å; W1134-A1137 WeakPolarHBondContact O-CB 3.15Å; W1134-A1137 PolarHBondContact O-N 2.69Å; F1135-A1137 VanDerWaalsContact C-N 3.33Å; F1135-A1137 PolarHBondContact O-N 3.33Å; A1137-S1140 WeakPolarHBondContact CA-OG 3.38Å; A1137-S1140 PolarHBondContact O-OG 2.79Å; A1137-A1141 WeakPolarHBondContact O-CB 3.32Å; A1137-A1141 PolarHBondContact O-N 3.03Å
1138	V	82.6	Confident	75.7	Confident	71 Å²	71	84.7 Å²	84.7	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-68.2	-44.9	176.5	170.9	0	0	0	0	111.3	W1134 F1135 A1141 G1142	W1134-V1138 HydrophobicContact CD2-CG2 4.03Å; W1134-V1138 HydrophobicContact CE3-CG2 4.36Å; W1134-V1138 HydrophobicContact CH2-CG2 4.15Å; W1134-V1138 HydrophobicContact CZ2-CG2 3.79Å; W1134-V1138 HydrophobicContact CZ3-CG2 4.42Å; W1134-V1138 WeakPolarHBondContact O-CG2 3.49Å; W1134-V1138 PolarHBondContact O-N 3.19Å; F1135-V1138 PolarHBondContact O-N 2.56Å; V1138-A1141 PolarHBondContact O-N 3.39Å; V1138-G1142 PolarHBondContact O-N 2.91Å
1139	V	80.8	Confident	77.2	Confident	74 Å²	74	86.6 Å²	86.6	45%	0.448	49%	0.493	S	S	.	.	H	α-helix	trans	-66.2	-40.8	178	171.6	0	0	0	0	111.4	F1135 S1143	F1135-V1139 HydrophobicContact CD1-CG2 4.14Å; F1135-V1139 HydrophobicContact CE1-CG2 3.8Å; F1135-V1139 HydrophobicContact CE2-CG2 4.43Å; F1135-V1139 HydrophobicContact CZ-CG2 3.96Å; F1135-V1139 WeakPolarHBondContact O-CB 3.22Å; F1135-V1139 WeakPolarHBondContact O-CG2 3.42Å; F1135-V1139 PolarHBondContact O-N 3.08Å; V1139-S1143 WeakPolarHBondContact O-CB 3.33Å; V1139-S1143 PolarHBondContact O-N 3.33Å; V1139-S1143 PolarHBondContact O-OG 2.78Å
1140	S	82.9	Confident	78.6	Confident	51 Å²	51	83.8 Å²	83.8	36%	0.357	48%	0.481	S	S	.	.	H	α-helix	trans	-71.6	-38.6	175.8	57.1	0	0	0	0	112.6	I1136 A1137 S1143 I1144	I1136-S1140 VanDerWaalsContact O-CB 3.25Å; I1136-S1140 WeakPolarHBondContact O-CB 3.25Å; I1136-S1140 PolarHBondContact O-N 2.79Å; I1136-S1140 PolarHBondContact O-OG 3.35Å; A1137-S1140 WeakPolarHBondContact CA-OG 3.38Å; A1137-S1140 PolarHBondContact O-OG 2.79Å; S1140-S1143 WeakPolarHBondContact O-CB 3.11Å; S1140-S1143 PolarHBondContact O-N 2.68Å; S1140-I1144 WeakPolarHBondContact O-CB 3.19Å; S1140-I1144 VanDerWaalsContact O-CG1 3.25Å; S1140-I1144 WeakPolarHBondContact O-CG1 3.41Å; S1140-I1144 PolarHBondContact O-N 2.98Å
1141	A	85.4	Confident	79.7	Confident	46 Å²	46	82.8 Å²	82.8	38%	0.38	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-44.6	172.4	0	0	0	0	0	111.8	A1137 V1138 S1143 I1144 I1145	A1137-A1141 WeakPolarHBondContact O-CB 3.32Å; A1137-A1141 PolarHBondContact O-N 3.03Å; V1138-A1141 PolarHBondContact O-N 3.39Å; A1141-S1143 VanDerWaalsContact C-N 3.34Å; A1141-S1143 PolarHBondContact O-N 3.41Å; A1141-I1144 PolarHBondContact O-N 3.38Å; A1141-I1145 WeakPolarHBondContact O-CB 3.43Å; A1141-I1145 VanDerWaalsContact O-CG1 3.29Å; A1141-I1145 WeakPolarHBondContact O-CG1 3.22Å; A1141-I1145 PolarHBondContact O-N 2.93Å
1142	G	83.8	Confident	80.6	Confident	30 Å²	30	86.1 Å²	86.1	31%	0.309	48%	0.482	S	S	.	.	H	α-helix	trans	-59.5	-43.1	172.7	0	0	0	0	0	112.4	V1138 I1145 I1146	V1138-G1142 PolarHBondContact O-N 2.91Å; G1142-I1145 PolarHBondContact O-N 2.85Å; G1142-I1146 VanDerWaalsContact O-CG1 3.3Å; G1142-I1146 WeakPolarHBondContact O-CG1 3.45Å; G1142-I1146 PolarHBondContact O-N 3.12Å
1143	S	82.5	Confident	81.2	Confident	56 Å²	56	88.5 Å²	88.5	39%	0.392	48%	0.482	S	S	.	.	H	α-helix	trans	-63	-42.7	175.2	-58.8	0	0	0	0	112.3	V1139 S1140 A1141 I1146 I1147	V1139-S1143 WeakPolarHBondContact O-CB 3.33Å; V1139-S1143 PolarHBondContact O-N 3.33Å; V1139-S1143 PolarHBondContact O-OG 2.78Å; S1140-S1143 WeakPolarHBondContact O-CB 3.11Å; S1140-S1143 PolarHBondContact O-N 2.68Å; A1141-S1143 VanDerWaalsContact C-N 3.34Å; A1141-S1143 PolarHBondContact O-N 3.41Å; S1143-I1146 PolarHBondContact O-N 2.66Å; S1143-I1147 WeakPolarHBondContact O-CB 3.31Å; S1143-I1147 VanDerWaalsContact O-CG1 3.24Å; S1143-I1147 WeakPolarHBondContact O-CG1 3.33Å; S1143-I1147 PolarHBondContact O-N 2.6Å
1144	I	87.7	Confident	81.4	Confident	95 Å²	95	90.1 Å²	90.1	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-65.3	-40.8	176.3	-72.1	163.8	0	0	0	110.7	S1140 A1141 I1147 L1148	S1140-I1144 WeakPolarHBondContact O-CB 3.19Å; S1140-I1144 VanDerWaalsContact O-CG1 3.25Å; S1140-I1144 WeakPolarHBondContact O-CG1 3.41Å; S1140-I1144 PolarHBondContact O-N 2.98Å; A1141-I1144 PolarHBondContact O-N 3.38Å; I1144-I1147 PolarHBondContact O-N 2.8Å; I1144-L1148 HydrophobicContact CG2-CD1 3.95Å; I1144-L1148 HydrophobicContact CG2-CG 4.36Å; I1144-L1148 WeakPolarHBondContact O-CB 3.27Å; I1144-L1148 VanDerWaalsContact O-CG 3.31Å; I1144-L1148 WeakPolarHBondContact O-CG 3.46Å; I1144-L1148 PolarHBondContact O-N 3.13Å
1145	I	86	Confident	81.3	Confident	98 Å²	98	85 Å²	85	50%	0.503	47%	0.47	S	S	.	.	H	α-helix	trans	-63.3	-44	174.7	-70.6	164.9	0	0	0	110.5	A1141 G1142 I1147 L1148 L1149	A1141-I1145 WeakPolarHBondContact O-CB 3.43Å; A1141-I1145 VanDerWaalsContact O-CG1 3.29Å; A1141-I1145 WeakPolarHBondContact O-CG1 3.22Å; A1141-I1145 PolarHBondContact O-N 2.93Å; G1142-I1145 PolarHBondContact O-N 2.85Å; I1145-I1147 PolarHBondContact O-N 3.15Å; I1145-L1148 PolarHBondContact O-N 2.88Å; I1145-L1149 HydrophobicContact CG2-CD1 3.88Å; I1145-L1149 HydrophobicContact CG2-CG 4.38Å; I1145-L1149 WeakPolarHBondContact O-CB 3.35Å; I1145-L1149 VanDerWaalsContact O-CG 3.26Å; I1145-L1149 WeakPolarHBondContact O-CG 3.26Å; I1145-L1149 PolarHBondContact O-N 2.89Å
1146	I	82.6	Confident	80.9	Confident	110 Å²	110	86.1 Å²	86.1	56%	0.564	48%	0.477	S	S	*	.	H	α-helix	trans	-62.6	-42.9	175.5	-69.6	165	0	0	0	110.9	G1142 S1143 L1149 V1150	G1142-I1146 VanDerWaalsContact O-CG1 3.3Å; G1142-I1146 WeakPolarHBondContact O-CG1 3.45Å; G1142-I1146 PolarHBondContact O-N 3.12Å; S1143-I1146 PolarHBondContact O-N 2.66Å; I1146-L1149 PolarHBondContact O-N 2.94Å; I1146-V1150 WeakPolarHBondContact O-CB 3.29Å; I1146-V1150 VanDerWaalsContact O-CG2 3.3Å; I1146-V1150 WeakPolarHBondContact O-CG2 3.38Å; I1146-V1150 PolarHBondContact O-N 3.17Å
1147	I	85.5	Confident	79.9	Confident	104 Å²	104	89 Å²	89	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-45	175.8	-70.4	163.8	0	0	0	110.9	S1143 I1144 I1145 L1149 V1150 V1151	S1143-I1147 WeakPolarHBondContact O-CB 3.31Å; S1143-I1147 VanDerWaalsContact O-CG1 3.24Å; S1143-I1147 WeakPolarHBondContact O-CG1 3.33Å; S1143-I1147 PolarHBondContact O-N 2.6Å; I1144-I1147 PolarHBondContact O-N 2.8Å; I1145-I1147 PolarHBondContact O-N 3.15Å; I1147-L1149 PolarHBondContact O-N 3.02Å; I1147-V1150 PolarHBondContact O-N 2.77Å; I1147-V1151 HydrophobicContact CG2-CG2 4.37Å; I1147-V1151 WeakPolarHBondContact O-CB 3.32Å; I1147-V1151 VanDerWaalsContact O-CG2 3.31Å; I1147-V1151 WeakPolarHBondContact O-CG2 3.32Å; I1147-V1151 PolarHBondContact O-N 2.75Å
1148	L	84.9	Confident	78.9	Confident	102 Å²	102	91.5 Å²	91.5	53%	0.534	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-39.3	176.8	-75.7	172.5	0	0	0	112.1	I1144 I1145 V1151 M1152	I1144-L1148 HydrophobicContact CG2-CD1 3.95Å; I1144-L1148 HydrophobicContact CG2-CG 4.36Å; I1144-L1148 WeakPolarHBondContact O-CB 3.27Å; I1144-L1148 VanDerWaalsContact O-CG 3.31Å; I1144-L1148 WeakPolarHBondContact O-CG 3.46Å; I1144-L1148 PolarHBondContact O-N 3.13Å; I1145-L1148 PolarHBondContact O-N 2.88Å; L1148-V1151 PolarHBondContact O-N 2.69Å; L1148-M1152 WeakPolarHBondContact O-CB 3.22Å; L1148-M1152 WeakPolarHBondContact O-CG 3.35Å; L1148-M1152 PolarHBondContact O-N 2.92Å
1149	L	82.9	Confident	77.2	Confident	106 Å²	106	97.9 Å²	97.9	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-67	-38.3	174	-72.9	170.7	0	0	0	111.9	I1145 I1146 I1147 Y1153	I1145-L1149 HydrophobicContact CG2-CD1 3.88Å; I1145-L1149 HydrophobicContact CG2-CG 4.38Å; I1145-L1149 WeakPolarHBondContact O-CB 3.35Å; I1145-L1149 VanDerWaalsContact O-CG 3.26Å; I1145-L1149 WeakPolarHBondContact O-CG 3.26Å; I1145-L1149 PolarHBondContact O-N 2.89Å; I1146-L1149 PolarHBondContact O-N 2.94Å; I1147-L1149 PolarHBondContact O-N 3.02Å; L1149-Y1153 WeakPolarHBondContact O-CB 3.33Å; L1149-Y1153 PolarHBondContact O-N 2.76Å
1150	V	81.4	Confident	75	Confident	61 Å²	61	98.5 Å²	98.5	37%	0.37	53%	0.529	S	S	.	.	H	α-helix	trans	-67.8	-41	173.9	168.2	0	0	0	0	111.3	I1146 I1147 Y1153 I1154	I1146-V1150 WeakPolarHBondContact O-CB 3.29Å; I1146-V1150 VanDerWaalsContact O-CG2 3.3Å; I1146-V1150 WeakPolarHBondContact O-CG2 3.38Å; I1146-V1150 PolarHBondContact O-N 3.17Å; I1147-V1150 PolarHBondContact O-N 2.77Å; V1150-Y1153 PolarHBondContact O-N 2.84Å; V1150-I1154 HydrophobicContact CG1-CD1 3.86Å; V1150-I1154 WeakPolarHBondContact O-CB 3.27Å; V1150-I1154 VanDerWaalsContact O-CG1 3.25Å; V1150-I1154 WeakPolarHBondContact O-CG1 3.2Å; V1150-I1154 PolarHBondContact O-N 3.47Å
1151	V	81.9	Confident	72.8	Confident	74 Å²	74	99.5 Å²	99.5	45%	0.448	55%	0.548	S	S	.	.	H	α-helix	trans	-66.1	-45.1	174.8	169.7	0	0	0	0	110.8	I1147 L1148 Y1153 I1154 V1155	I1147-V1151 HydrophobicContact CG2-CG2 4.37Å; I1147-V1151 WeakPolarHBondContact O-CB 3.32Å; I1147-V1151 VanDerWaalsContact O-CG2 3.31Å; I1147-V1151 WeakPolarHBondContact O-CG2 3.32Å; I1147-V1151 PolarHBondContact O-N 2.75Å; L1148-V1151 PolarHBondContact O-N 2.69Å; V1151-Y1153 VanDerWaalsContact C-N 3.34Å; V1151-Y1153 PolarHBondContact O-N 3.23Å; V1151-I1154 PolarHBondContact O-N 2.78Å; V1151-V1155 HydrophobicContact CG1-CG2 4.33Å; V1151-V1155 WeakPolarHBondContact O-CB 3.22Å; V1151-V1155 VanDerWaalsContact O-CG2 3.31Å; V1151-V1155 WeakPolarHBondContact O-CG2 3.05Å; V1151-V1155 PolarHBondContact O-N 2.67Å
1152	M	78.4	Confident	70.6	Confident	128 Å²	128	106.8 Å²	106.8	63%	0.631	57%	0.571	S	S	*	*	H	α-helix	trans	-59.3	-43.5	172.5	-81.8	-172.4	65.5	0	0	111.7	L1148 I1154 V1155 H1156	L1148-M1152 WeakPolarHBondContact O-CB 3.22Å; L1148-M1152 WeakPolarHBondContact O-CG 3.35Å; L1148-M1152 PolarHBondContact O-N 2.92Å; M1152-I1154 PolarHBondContact O-N 3.32Å; M1152-V1155 PolarHBondContact O-N 3.12Å; M1152-H1156 WeakPolarHBondContact O-CB 3.29Å; M1152-H1156 PolarHBondContact O-N 3.01Å
1153	Y	78.2	Confident	68.5	Low	132 Å²	132	116.2 Å²	116.2	52%	0.518	60%	0.599	S	S	.	*	H	α-helix	trans	-61.7	-42	176.3	179.4	-92.7	0	0	0	111.8	L1149 V1150 V1151 R1157	L1149-Y1153 WeakPolarHBondContact O-CB 3.33Å; L1149-Y1153 PolarHBondContact O-N 2.76Å; V1150-Y1153 PolarHBondContact O-N 2.84Å; V1151-Y1153 VanDerWaalsContact C-N 3.34Å; V1151-Y1153 PolarHBondContact O-N 3.23Å; Y1153-R1157 WeakPolarHBondContact O-CB 3.39Å; Y1153-R1157 PolarHBondContact O-N 3.17Å; Y1153-R1157 PolarHBondContact OH-NH1 2.96Å
1154	I	75.4	Confident	66.7	Low	92 Å²	92	117.3 Å²	117.3	47%	0.472	61%	0.607	S	S	.	*	H	α-helix	trans	-65.2	-49.1	175.3	-70	164.1	0	0	0	110.5	V1150 V1151 M1152 H1156 R1157 T1158	V1150-I1154 HydrophobicContact CG1-CD1 3.86Å; V1150-I1154 WeakPolarHBondContact O-CB 3.27Å; V1150-I1154 VanDerWaalsContact O-CG1 3.25Å; V1150-I1154 WeakPolarHBondContact O-CG1 3.2Å; V1150-I1154 PolarHBondContact O-N 3.47Å; V1151-I1154 PolarHBondContact O-N 2.78Å; M1152-I1154 PolarHBondContact O-N 3.32Å; I1154-H1156 PolarHBondContact O-N 3.37Å; I1154-R1157 CarbonylContact O-C 3.5Å; I1154-R1157 PolarHBondContact O-N 2.83Å; I1154-R1157 VanDerWaalsContact O-N 3.14Å; I1154-T1158 HydrophobicContact CG2-CG2 4.42Å; I1154-T1158 WeakPolarHBondContact O-CG2 3.32Å; I1154-T1158 PolarHBondContact O-N 3.36Å; I1154-T1158 PolarHBondContact O-OG1 2.76Å; I1154-T1158 VanDerWaalsContact O-OG1 3.07Å
1155	V	71.7	Confident	64.7	Low	69 Å²	69	118.3 Å²	118.3	42%	0.418	62%	0.617	S	S	.	*	H	α-helix	trans	-61.3	-41.5	178.9	169.9	0	0	0	0	111.9	V1151 M1152 R1157 T1158 R1159	V1151-V1155 HydrophobicContact CG1-CG2 4.33Å; V1151-V1155 WeakPolarHBondContact O-CB 3.22Å; V1151-V1155 VanDerWaalsContact O-CG2 3.31Å; V1151-V1155 WeakPolarHBondContact O-CG2 3.05Å; V1151-V1155 PolarHBondContact O-N 2.67Å; M1152-V1155 PolarHBondContact O-N 3.12Å; V1155-R1157 VanDerWaalsContact C-N 3.32Å; V1155-T1158 PolarHBondContact O-N 2.82Å; V1155-T1158 PolarHBondContact O-OG1 2.69Å; V1155-R1159 PolarHBondContact O-N 2.9Å
1156	H	64.2	Low	63	Low	157 Å²	157	121.5 Å²	121.5	73%	0.727	63%	0.627	S	S	*	*	H	α-helix	trans	-71.7	-26.9	177.2	-163.3	-42.9	0	0	0	112.1	M1152 I1154	M1152-H1156 WeakPolarHBondContact O-CB 3.29Å; M1152-H1156 PolarHBondContact O-N 3.01Å; I1154-H1156 PolarHBondContact O-N 3.37Å
1157	R	59.8	Low	61.7	Low	160 Å²	160	123 Å²	123	60%	0.604	63%	0.631	S	S	*	*	H	α-helix	trans	-85.4	-17.5	174.9	-167.1	166.8	177.1	175.8	-5.5	113.4	Y1153 I1154 V1155	Y1153-R1157 WeakPolarHBondContact O-CB 3.39Å; Y1153-R1157 PolarHBondContact O-N 3.17Å; Y1153-R1157 PolarHBondContact OH-NH1 2.96Å; I1154-R1157 CarbonylContact O-C 3.5Å; I1154-R1157 PolarHBondContact O-N 2.83Å; I1154-R1157 VanDerWaalsContact O-N 3.14Å; V1155-R1157 VanDerWaalsContact C-N 3.32Å
1158	T	57.9	Low	60	Low	106 Å²	106	126.1 Å²	126.1	65%	0.65	64%	0.641	S	S	*	*	H	α-helix	trans	-96	-18.7	174.4	56	0	0	0	0	114.3	I1154 V1155 G1160	I1154-T1158 HydrophobicContact CG2-CG2 4.42Å; I1154-T1158 WeakPolarHBondContact O-CG2 3.32Å; I1154-T1158 PolarHBondContact O-N 3.36Å; I1154-T1158 PolarHBondContact O-OG1 2.76Å; I1154-T1158 VanDerWaalsContact O-OG1 3.07Å; V1155-T1158 PolarHBondContact O-N 2.82Å; V1155-T1158 PolarHBondContact O-OG1 2.69Å; T1158-G1160 PolarHBondContact O-N 2.79Å
1159	R	48.4	Very low	58.4	Low	205 Å²	205	128 Å²	128	77%	0.774	65%	0.647	S	S	*	*	S	Bend	trans	-87.4	93	169.5	-79	-173.9	164.1	178.4	-4	111.4	V1155	V1155-R1159 PolarHBondContact O-N 2.9Å
1160	G	33.5	Very low	57	Low	86 Å²	86	129.6 Å²	129.6	89%	0.887	66%	0.655	S	S	*	*			trans	-63.5	133.5	177.2	0	0	0	0	0	113.5	T1158	T1158-G1160 PolarHBondContact O-N 2.79Å
1161	G	37.4	Very low	55.5	Low	73 Å²	73	134.8 Å²	134.8	75%	0.753	68%	0.676	S	S	*	*			trans	-137.5	124.6	172.3	0	0	0	0	0	109.9
1162	K	37.8	Very low	54	Low	199 Å²	199	141.6 Å²	141.6	87%	0.865	69%	0.693	S	S	*	*			trans	-77.1	122.2	-174.1	-56.6	169.1	179.7	177.3	0	110.9
1163	Y	39.4	Very low	52	Low	228 Å²	228	139.1 Å²	139.1	89%	0.894	70%	0.701	S	S	*	*			trans	-144	162.6	153.7	-82.1	-67.9	0	0	0	111.2
1164	S	46.5	Very low	50.3	Low	79 Å²	79	138.7 Å²	138.7	55%	0.552	71%	0.712	S	S	*	*			trans	-91.2	150.2	-152.4	44.3	0	0	0	0	116.2	K1166	S1164-K1166 PolarHBondContact O-N 3.42Å
1165	V	45.7	Very low	48.8	Very low	115 Å²	115	141.1 Å²	141.1	70%	0.697	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-31.1	178.4	-180	0	0	0	0	113.6	E1167 K1168	V1165-E1167 VanDerWaalsContact C-N 3.31Å; V1165-E1167 PolarHBondContact O-N 2.76Å; V1165-E1167 VanDerWaalsContact O-N 3.14Å; V1165-K1168 PolarHBondContact O-N 2.69Å; V1165-K1168 VanDerWaalsContact O-N 3.14Å
1166	K	50.2	Low	47.1	Very low	166 Å²	166	143 Å²	143	72%	0.722	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-28	-164.4	-164.8	170.2	-175.3	176.7	0	115.8	S1164	S1164-K1166 PolarHBondContact O-N 3.42Å
1167	E	54.6	Low	46.1	Very low	140 Å²	140	142.1 Å²	142.1	65%	0.654	74%	0.74	S	S	*	*	H	α-helix	trans	-80.1	-19.1	-178	-69.5	171.7	131.4	0	0	112.9	V1165	V1165-E1167 VanDerWaalsContact C-N 3.31Å; V1165-E1167 PolarHBondContact O-N 2.76Å; V1165-E1167 VanDerWaalsContact O-N 3.14Å
1168	K	50	Low	45.4	Very low	171 Å²	171	142 Å²	142	74%	0.743	75%	0.75	S	S	*	*	H	α-helix	trans	-89.2	-4.6	-174.8	-119.1	-178.2	-177.5	-178.5	0	115.8	V1165	V1165-K1168 PolarHBondContact O-N 2.69Å; V1165-K1168 VanDerWaalsContact O-N 3.14Å
1169	E	51.8	Low	44.4	Very low	142 Å²	142	143.9 Å²	143.9	66%	0.664	76%	0.757	S	S	*	*	H	α-helix	trans	-99.3	-23.8	175.1	-60	-170.6	148.9	0	0	111.7	E1171 R1172	E1169-E1171 PolarHBondContact O-N 3.12Å; E1169-R1172 PolarHBondContact O-N 2.89Å
1170	L	52	Low	43.9	Very low	138 Å²	138	143.2 Å²	143.2	72%	0.723	76%	0.762	S	S	*	*	H	α-helix	trans	-68.7	-29.1	178.1	-81	161.4	0	0	0	113.8	R1172	L1170-R1172 PolarHBondContact O-N 3.49Å
1171	E	50.9	Low	44	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-1	176	-64.6	-172.2	136.6	0	0	113.8	E1169	E1169-E1171 PolarHBondContact O-N 3.12Å
1172	R	49.8	Very low	43.8	Very low	216 Å²	216	156.2 Å²	156.2	82%	0.815	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	5.3	-175.5	-92.8	-176.7	166.4	-165.4	-6.7	116.5	E1169 L1170 T1174	E1169-R1172 PolarHBondContact O-N 2.89Å; L1170-R1172 PolarHBondContact O-N 3.49Å; R1172-T1174 PolarHBondContact O-N 3.1Å
1173	G	36.4	Very low	43.6	Very low	76 Å²	76	153.5 Å²	153.5	78%	0.784	77%	0.77	S	S	*	*			trans	75.7	20.3	155.3	0	0	0	0	0	117.6
1174	T	41.9	Very low	43.4	Very low	123 Å²	123	152 Å²	152	76%	0.755	77%	0.769	S	S	*	*			trans	-107.7	116.2	170.9	48.4	0	0	0	0	110.6	R1172 P1176	R1172-T1174 PolarHBondContact O-N 3.1Å; T1174-P1176 WeakPolarHBondContact O-CD 3.26Å
1175	N	44.9	Very low	43	Very low	144 Å²	144	154.2 Å²	154.2	77%	0.77	77%	0.773	S	S	*	*			trans	-89.5	114.2	174.5	179.8	70.2	0	0	0	110.4	D1177	N1175-D1177 PolarHBondContact O-N 3.15Å
1176	P	35.7	Very low	42.5	Very low	107 Å²	107	155 Å²	155	70%	0.695	77%	0.769	S	S	*	*			trans	-93	98.4	175.8	34	-26	0	0	0	110	T1174	T1174-P1176 WeakPolarHBondContact O-CD 3.26Å
1177	D	43.6	Very low	41.9	Very low	139 Å²	139	156.2 Å²	156.2	74%	0.743	77%	0.77	S	S	*	*			trans	161.5	97.3	155.1	-87.7	-18.1	0	0	0	108	N1175	N1175-D1177 PolarHBondContact O-N 3.15Å
1178	L	45.2	Very low	40.8	Very low	157 Å²	157	158.1 Å²	158.1	82%	0.822	78%	0.779	S	S	*	*			trans	162.8	148.8	147.8	-90.8	162.2	0	0	0	112
1179	D	37.5	Very low	40.3	Very low	147 Å²	147	160 Å²	160	79%	0.786	79%	0.788	S	S	*	*			trans	61.5	109.7	162.5	-57	-15.6	0	0	0	120.1
1180	E	36.5	Very low	39.4	Very low	190 Å²	190	156.5 Å²	156.5	89%	0.888	79%	0.79	S	S	*	*			trans	-76.5	-170.7	163.5	-59.4	174.3	117.3	0	0	111.2
1181	E	36.5	Very low	38.7	Very low	185 Å²	185	156.9 Å²	156.9	86%	0.864	80%	0.798	S	S	*	*			trans	66.2	80	176.8	-58.6	-161	153.7	0	0	118.4
1182	R	33.4	Very low	37.9	Very low	247 Å²	247	152.2 Å²	152.2	93%	0.932	80%	0.796	S	S	*	*			trans	-178.2	103.5	132.3	-99.8	156.1	-165	-128	3.7	113.1
1183	T	33.6	Very low	37.4	Very low	143 Å²	143	148.1 Å²	148.1	88%	0.877	80%	0.799	S	S	*	*			trans	-140.9	139.6	166.7	42.7	0	0	0	0	110.1
1184	F	34.3	Very low	37.5	Very low	197 Å²	197	149.6 Å²	149.6	86%	0.864	80%	0.797	S	S	*	*			trans	-161.1	135.5	-173.5	-143.6	-110.4	0	0	0	109.6
1185	I	39.4	Very low	37.3	Very low	125 Å²	125	150.5 Å²	150.5	64%	0.641	80%	0.797	S	S	*	*			trans	66.2	98.3	167.9	-69.1	174.9	0	0	0	114.4
1186	E	34.7	Very low	37.4	Very low	131 Å²	131	149.9 Å²	149.9	61%	0.612	80%	0.798	S	S	*	*				87.3	139.9	82.5	-81.6	174.1	166.2	0	0	113.1
1187	Y	36.3	Very low	38.1	Very low	191 Å²	191	148.6 Å²	148.6	75%	0.749	80%	0.797	S	S	*	*			cis	-141	139.2	0.3	-100.3	-70.3	0	0	0	110.7
1188	Q	33.4	Very low	37.9	Very low	180 Å²	180	151.6 Å²	151.6	84%	0.841	82%	0.824	S	S	*	*			trans	-160	118.4	163.2	-159.2	-176.6	28.8	0	0	111.6
1189	F	37.7	Very low	37.5	Very low	212 Å²	212	151.4 Å²	151.4	93%	0.93	82%	0.824	S	S	*	*			trans	-158.8	147.2	167.3	-77.5	-68.8	0	0	0	109.7
1190	G	33.8	Very low	37.5	Very low	68 Å²	68	151.6 Å²	151.6	70%	0.701	83%	0.826	S	S	*	*			cis	159.5	138.7	-9.5	0	0	0	0	0	113.1
1191	T	37.1	Very low	37.5	Very low	146 Å²	146	149.4 Å²	149.4	90%	0.896	82%	0.823	S	S	*	*			trans	-151.9	122.3	175.1	50.6	0	0	0	0	113
1192	G	34.9	Very low	37.6	Very low	72 Å²	72	147.4 Å²	147.4	74%	0.742	82%	0.82	S	S	*	*			trans	81.3	142.8	168.3	0	0	0	0	0	115.2
1193	C	38.2	Very low	37.9	Very low	131 Å²	131	141.1 Å²	141.1	89%	0.885	81%	0.813	S	S	*	*			cis	-147	172.5	-0.6	-82	0	0	0	0	111.5
1194	S	38.7	Very low	38.2	Very low	106 Å²	106	141 Å²	141	74%	0.741	81%	0.809	S	S	*	*			trans	-62.1	177.5	-178	-31.4	0	0	0	0	114.9
1195	D	38.5	Very low	38.4	Very low	142 Å²	142	137 Å²	137	76%	0.759	81%	0.805	S	S	*	*			cis	-165	166.8	22.5	-137.5	-39.3	0	0	0	114.1
1196	V	46.6	Very low	38.4	Very low	131 Å²	131	137.9 Å²	137.9	79%	0.794	82%	0.818	S	S	*	*			trans	62.2	135.4	162.4	178.6	0	0	0	0	118.2
1197	A	49.8	Very low	38.7	Very low	80 Å²	80	138.5 Å²	138.5	66%	0.661	84%	0.835	S	S	*	*			cis	-175.1	164.8	-17.5	0	0	0	0	0	107.4
1198	P	39.1	Very low	38.9	Very low	203 Å²	203	133.7 Å²	133.7	100%	1.318	84%	0.843	S	S	*	*			cis	-80.8	0	1	35.8	-37	0	0	0	114.5

Retrieved 1,198 of 1,198 residues in 3069.7 ms (Link to these results)

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