A0A3Q0KC69_SCHMA Loading...

Putative ring finger-containing

AlphaFold DB (A0A5K4E9U5), UniProt , Accession A0A3Q0KC69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 988 aa.

						>A0A3Q0KC69_SCHMA|A0A3Q0KC69
MTSSMMSSRLVETVMINVDDFADNFLTCGTCFSGYNSSERAAKLLPCSHTICRSCLDRILTSETQSETFRCPICRENIAIPSGGAASFPPAFIVNQLLDLLATHRRDVVPKCCIHPSQELLFCETCDMVFCSECRGRNHAIQNHLNDSSCLPVNNGNQDITTQVESSSSNTGLNHNVITFNVALKRCSEIMLYKMHLCTQELNCAQEAVKSELERLTNNTSSCVESINSRFSEILALVEHRQGELLDCVKRIGEEKRRALTDQLSLIETERDLIRTECDRLKGVMDVRSITKTISYLNDKLDSISGLTEPRENAFLCYQDCVGPYNQHNHINMCCTALKRTICSSSPSVSSGNYSGASVTNYNESDSPSSSLHHRNHHQRSNVSSTTTLQSSPHQASLPDIARCLSGFGRLVVSTTYPALCTARLPNEMFTHLYAKCTIQAVDYHGRPQSNSGTDPIEVAFTDPRGHLVPTDILDIGNGCYEVSMITPFSGLHKLSVKILNRPIRGSPFSVHVKPTQKRVWSLKEGSDGRGLIQPFAVAFGPYPVRPSEASSNTPQNNCSITGDFIYVLDTGNSRLLVLNPADGSLHTTVTGEPLSGQAATGMVWSPQGLWIVNWRAKQLFLLDPATEQVLSSVSSPLFKEPTSIARCPLTNRLFIADNGAGCVFVCDPETSLVNVFIGTNTTSIYADSDANTPTRHSTLIRTEASSHLPQPKVCKLITGLCVADSGELILSTGTCIRIFSSDGRFLSDLLPPNQPGDDHFRVRISTLPSRASLDTSYFNALNNSHDNPNSEYINAGRLSLSEILHSSGPSKSRIPPSRGQFGGVSFSTAPTESANGQTDKLGKCILATYSDRQRSGVVVWPEALWTSSCRQSVHEIDDNMVSSNIITNSNNNDTVCNTTTADTNTTTSVPSSGSTNHNRFSVVDPNFQTHTCAIFCPLNRSRYLFKPYLIEVDPSFRRLAGLVTLSNCRDVIVVDQGAQNISRIHYA
					

Structure Viewer

Loading PAE data...

(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	35.5	Very low	35.4	Very low	244 Å²	244	151.1 Å²	151.1	100%	1.202	83%	0.833	S	S	*	*				0	111.3	0	-69.4	-176.4	173.7	0	0	107.1	S3	M1-S3 PolarHBondContact O-N 3.42Å; M1-S3 VanDerWaalsContact O-N 3.16Å
2	T	32.9	Very low	35.6	Very low	144 Å²	144	153.2 Å²	153.2	88%	0.883	83%	0.832	S	S	*	*			trans	-71.5	100	-166.6	45.2	0	0	0	0	111.5	S4	T2-S4 PolarHBondContact O-N 3.33Å
3	S	34	Very low	36.1	Very low	115 Å²	115	147 Å²	147	80%	0.804	80%	0.803	S	S	*	*			trans	-83.2	96.4	163.9	-168.4	0	0	0	0	108.1	M1 M5	M1-S3 PolarHBondContact O-N 3.42Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-M5 PolarHBondContact O-N 3.25Å
4	S	34.7	Very low	36.8	Very low	98 Å²	98	145.2 Å²	145.2	69%	0.685	80%	0.798	S	S	*	*			trans	-70.1	103.4	175.2	167.4	0	0	0	0	109	T2 M6	T2-S4 PolarHBondContact O-N 3.33Å; S4-M6 PolarHBondContact O-N 3.27Å
5	M	38.3	Very low	37.6	Very low	182 Å²	182	143.7 Å²	143.7	90%	0.897	79%	0.785	S	S	*	*			trans	-67.4	110.4	167.6	-79.4	-169.4	157.8	0	0	109.5	S3 S7	S3-M5 PolarHBondContact O-N 3.25Å; M5-S7 PolarHBondContact O-N 3.46Å
6	M	32.4	Very low	38.8	Very low	182 Å²	182	141.4 Å²	141.4	90%	0.897	77%	0.77	S	S	*	*			trans	-75.5	103	169.2	-72.9	-142.2	139.7	0	0	109.9	S4 S8	S4-M6 PolarHBondContact O-N 3.27Å; M6-S8 PolarHBondContact O-N 3.18Å
7	S	33.4	Very low	40.2	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	75%	0.751	S	S	*	*			trans	-64.3	118.1	172.8	-175	0	0	0	0	110.9	M5 R9	M5-S7 PolarHBondContact O-N 3.46Å; S7-R9 PolarHBondContact O-N 3.35Å
8	S	32.6	Very low	41.5	Very low	113 Å²	113	134.2 Å²	134.2	79%	0.79	73%	0.733	S	S	*	*			trans	-64.8	118.2	165.4	-178.2	0	0	0	0	109	M6 L10	M6-S8 PolarHBondContact O-N 3.18Å; S8-L10 PolarHBondContact O-N 3.18Å
9	R	37.6	Very low	42.9	Very low	221 Å²	221	133.2 Å²	133.2	83%	0.834	73%	0.727	S	S	*	*			trans	-86	105.6	174	-83.4	-178.1	171.2	156.7	-2.6	108.8	S7 V11	S7-R9 PolarHBondContact O-N 3.35Å; R9-V11 PolarHBondContact O-N 3.37Å
10	L	39.6	Very low	44.1	Very low	158 Å²	158	131 Å²	131	83%	0.827	71%	0.714	S	S	*	*			trans	-62.4	118.9	167.5	-156	85.7	0	0	0	108	S8 E12	S8-L10 PolarHBondContact O-N 3.18Å; L10-E12 PolarHBondContact O-N 3.16Å
11	V	38	Very low	45.4	Very low	96 Å²	96	127 Å²	127	58%	0.582	69%	0.69	S	S	*	*			trans	-82.9	105.1	170.3	179.5	0	0	0	0	106.5	R9 T13 C113	R9-V11 PolarHBondContact O-N 3.37Å; V11-T13 HydrophobicContact CG1-CG2 4.41Å; V11-T13 PolarHBondContact O-N 3.33Å; V11-C113 HydrophobicContact CG2-CB 4.12Å
12	E	37.9	Very low	47.3	Very low	176 Å²	176	116.6 Å²	116.6	82%	0.822	64%	0.643	S	S	*	*			trans	-64.7	94.9	169	-103.5	178.5	167.6	0	0	109	L10	L10-E12 PolarHBondContact O-N 3.16Å
13	T	42.3	Very low	49.3	Very low	73 Å²	73	114.7 Å²	114.7	45%	0.448	63%	0.628	S	S	.	*			trans	-87.8	108.8	162.1	36.1	0	0	0	0	108.6	V11 M15 P110	V11-T13 HydrophobicContact CG1-CG2 4.41Å; V11-T13 PolarHBondContact O-N 3.33Å; T13-M15 PolarHBondContact O-N 3.2Å; T13-P110 HydrophobicContact CG2-CB 4.2Å
14	V	46.2	Very low	51.1	Low	122 Å²	122	114.9 Å²	114.9	74%	0.739	62%	0.62	S	S	*	*			trans	-68.8	101.2	168.4	-178.1	0	0	0	0	107.7	I16	V14-I16 HydrophobicContact CG1-CG1 4.02Å; V14-I16 PolarHBondContact O-N 2.94Å; V14-I16 VanDerWaalsContact O-N 3.15Å
15	M	49.2	Very low	53.2	Low	123 Å²	123	116.8 Å²	116.8	61%	0.606	62%	0.616	S	S	*	*			trans	-73.7	98	169.8	-71.4	-75.4	-70.7	0	0	107.7	T13 N17 L184	T13-M15 PolarHBondContact O-N 3.2Å; M15-N17 PolarHBondContact O-N 3.26Å; M15-L184 HydrophobicContact CE-CD2 3.85Å
16	I	55.7	Low	55.5	Low	107 Å²	107	108.4 Å²	108.4	55%	0.549	58%	0.575	S	S	.	*			trans	-77.4	117.5	169.9	-57.5	176.5	0	0	0	106.5	V14 V18 F21	V14-I16 HydrophobicContact CG1-CG1 4.02Å; V14-I16 PolarHBondContact O-N 2.94Å; V14-I16 VanDerWaalsContact O-N 3.15Å; I16-V18 PolarHBondContact O-N 3.15Å; I16-F21 HydrophobicContact CG2-CB 3.62Å; I16-F21 HydrophobicContact CG2-CD2 3.94Å; I16-F21 HydrophobicContact CG2-CG 3.99Å
17	N	62.6	Low	58.1	Low	81 Å²	81	100.9 Å²	100.9	43%	0.433	54%	0.539	S	S	.	.			trans	-61.6	113.3	170.1	-179.1	-1.6	0	0	0	107.9	M15 D19 D20 F21	M15-N17 PolarHBondContact O-N 3.26Å; N17-D19 VanDerWaalsContact C-N 3.26Å; N17-D19 PolarHBondContact O-N 2.83Å; N17-D19 PolarHBondContact OD1-N 3.41Å; N17-D20 HydrophobicContact CB-CB 3.98Å; N17-D20 WeakPolarHBondContact CB-OD2 3.42Å; N17-D20 PolarHBondContact ND2-OD2 3.44Å; N17-D20 PolarHBondContact O-N 3.02Å; N17-F21 WeakPolarHBondContact O-CB 3.27Å; N17-F21 PolarHBondContact O-N 3.36Å
18	V	63.9	Low	60.8	Low	72 Å²	72	95.7 Å²	95.7	44%	0.436	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-38.3	-171.5	179.7	0	0	0	0	111	I16 F21 A22 L101	I16-V18 PolarHBondContact O-N 3.15Å; V18-F21 PolarHBondContact O-N 3.38Å; V18-A22 WeakPolarHBondContact O-CB 3.42Å; V18-A22 PolarHBondContact O-N 3.42Å; V18-L101 HydrophobicContact CG1-CD2 3.37Å
19	D	67.7	Low	63.3	Low	115 Å²	115	92.4 Å²	92.4	62%	0.615	49%	0.486	S	S	*	.	H	α-helix	trans	-70.5	-47	180	-63.1	-33.1	0	0	0	110.2	N17 F21 A22 D23	N17-D19 VanDerWaalsContact C-N 3.26Å; N17-D19 PolarHBondContact O-N 2.83Å; N17-D19 PolarHBondContact OD1-N 3.41Å; D19-F21 VanDerWaalsContact C-N 3.25Å; D19-F21 PolarHBondContact O-N 2.97Å; D19-A22 PolarHBondContact O-N 3.23Å; D19-D23 WeakPolarHBondContact O-CB 3.45Å; D19-D23 PolarHBondContact O-N 3.37Å
20	D	68.4	Low	65.6	Low	88 Å²	88	83.8 Å²	83.8	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-60.7	-37.3	174.6	-70.7	-23.8	0	0	0	111.5	N17 N24	N17-D20 HydrophobicContact CB-CB 3.98Å; N17-D20 WeakPolarHBondContact CB-OD2 3.42Å; N17-D20 PolarHBondContact ND2-OD2 3.44Å; N17-D20 PolarHBondContact O-N 3.02Å; D20-N24 WeakPolarHBondContact O-CB 3.34Å; D20-N24 VanDerWaalsContact O-CG 3.24Å; D20-N24 PolarHBondContact O-N 3.47Å; D20-N24 PolarHBondContact O-ND2 2.94Å
21	F	70.9	Confident	68.1	Low	47 Å²	47	77.8 Å²	77.8	21%	0.206	43%	0.429	C	S	.	.	H	α-helix	trans	-68.3	-44.1	177.2	-179	-93.9	0	0	0	111.6	I16 N17 V18 D19 F25 L26 L97 L101	I16-F21 HydrophobicContact CG2-CB 3.62Å; I16-F21 HydrophobicContact CG2-CD2 3.94Å; I16-F21 HydrophobicContact CG2-CG 3.99Å; N17-F21 WeakPolarHBondContact O-CB 3.27Å; N17-F21 PolarHBondContact O-N 3.36Å; V18-F21 PolarHBondContact O-N 3.38Å; D19-F21 VanDerWaalsContact C-N 3.25Å; D19-F21 PolarHBondContact O-N 2.97Å; F21-F25 HydrophobicContact CD2-CB 4.48Å; F21-F25 AromaticContact CD2-CD2 3.42Å; F21-F25 HydrophobicContact CD2-CD2 3.42Å; F21-F25 VanDerWaalsContact CD2-CD2 3.42Å; F21-F25 AromaticContact CD2-CE2 3.91Å; F21-F25 HydrophobicContact CD2-CE2 3.91Å; F21-F25 HydrophobicContact CD2-CG 4.16Å; F21-F25 HydrophobicContact CE2-CB 4.23Å; F21-F25 AromaticContact CE2-CD2 3.73Å; F21-F25 HydrophobicContact CE2-CD2 3.73Å; F21-F25 HydrophobicContact CE2-CE2 4.31Å; F21-F25 HydrophobicContact CE2-CG 4.03Å; F21-F25 HydrophobicContact CG-CD2 4.06Å; F21-F25 HydrophobicContact CZ-CB 4.3Å; F21-F25 WeakPolarHBondContact O-CB 3.23Å; F21-F25 WeakPolarHBondContact O-CD2 3.47Å; F21-F25 PolarHBondContact O-N 3.2Å; F21-L26 HydrophobicContact CE1-CD1 4.3Å; F21-L97 HydrophobicContact CE1-CD2 4.43Å; F21-L97 HydrophobicContact CZ-CD1 4.34Å; F21-L97 HydrophobicContact CZ-CD2 4.25Å; F21-L101 HydrophobicContact CD1-CD1 4.49Å
22	A	74.5	Confident	70.4	Confident	27 Å²	27	81 Å²	81	22%	0.223	44%	0.436	C	S	.	.	H	α-helix	trans	-63.7	-46.3	177.3	0	0	0	0	0	111.4	V18 D19 L26 L101	V18-A22 WeakPolarHBondContact O-CB 3.42Å; V18-A22 PolarHBondContact O-N 3.42Å; D19-A22 PolarHBondContact O-N 3.23Å; A22-L26 CarbonylContact O-C 3.51Å; A22-L26 WeakPolarHBondContact O-CA 3.44Å; A22-L26 WeakPolarHBondContact O-CB 3.47Å; A22-L26 PolarHBondContact O-N 2.97Å; A22-L101 HydrophobicContact CB-CD1 4.44Å
23	D	74.8	Confident	72.7	Confident	104 Å²	104	74.3 Å²	74.3	56%	0.556	41%	0.408	S	S	*	.	H	α-helix	trans	-67.4	-38.1	-178.1	-77	-12.2	0	0	0	112.1	D19 T27	D19-D23 WeakPolarHBondContact O-CB 3.45Å; D19-D23 PolarHBondContact O-N 3.37Å; D23-T27 VanDerWaalsContact O-CG2 3.25Å; D23-T27 WeakPolarHBondContact O-CG2 2.88Å; D23-T27 PolarHBondContact O-OG1 3.38Å
24	N	72.1	Confident	74.9	Confident	119 Å²	119	72.8 Å²	72.8	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-84.8	-34.6	-178.8	-68.6	-48.7	0	0	0	114.1	D20	D20-N24 WeakPolarHBondContact O-CB 3.34Å; D20-N24 VanDerWaalsContact O-CG 3.24Å; D20-N24 PolarHBondContact O-N 3.47Å; D20-N24 PolarHBondContact O-ND2 2.94Å
25	F	78.7	Confident	76.9	Confident	138 Å²	138	67.9 Å²	67.9	61%	0.605	38%	0.376	S	S	*	.	H	α-helix	trans	-112.8	-17.4	-170.6	-61.3	-82.7	0	0	0	114.7	F21	F21-F25 HydrophobicContact CD2-CB 4.48Å; F21-F25 AromaticContact CD2-CD2 3.42Å; F21-F25 HydrophobicContact CD2-CD2 3.42Å; F21-F25 VanDerWaalsContact CD2-CD2 3.42Å; F21-F25 AromaticContact CD2-CE2 3.91Å; F21-F25 HydrophobicContact CD2-CE2 3.91Å; F21-F25 HydrophobicContact CD2-CG 4.16Å; F21-F25 HydrophobicContact CE2-CB 4.23Å; F21-F25 AromaticContact CE2-CD2 3.73Å; F21-F25 HydrophobicContact CE2-CD2 3.73Å; F21-F25 HydrophobicContact CE2-CE2 4.31Å; F21-F25 HydrophobicContact CE2-CG 4.03Å; F21-F25 HydrophobicContact CG-CD2 4.06Å; F21-F25 HydrophobicContact CZ-CB 4.3Å; F21-F25 WeakPolarHBondContact O-CB 3.23Å; F21-F25 WeakPolarHBondContact O-CD2 3.47Å; F21-F25 PolarHBondContact O-N 3.2Å
26	L	87.8	Confident	78.6	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.026	36%	0.361	C	S	.	.	S	Bend	trans	-121.2	22.2	-176.9	-56.3	176.7	0	0	0	113.3	F21 A22 G34 Y35 V94 L97 L98 L101	F21-L26 HydrophobicContact CE1-CD1 4.3Å; A22-L26 CarbonylContact O-C 3.51Å; A22-L26 WeakPolarHBondContact O-CA 3.44Å; A22-L26 WeakPolarHBondContact O-CB 3.47Å; A22-L26 PolarHBondContact O-N 2.97Å; L26-G34 WeakPolarHBondContact O-CA 3.47Å; L26-Y35 WeakPolarHBondContact O-CD2 3.36Å; L26-Y35 PolarHBondContact O-N 3.29Å; L26-V94 HydrophobicContact CD2-CG1 3.9Å; L26-L97 HydrophobicContact CD1-CB 4.27Å; L26-L97 HydrophobicContact CD2-CB 3.86Å; L26-L97 HydrophobicContact CD2-CD1 4.12Å; L26-L98 HydrophobicContact CB-CD2 4.47Å; L26-L98 HydrophobicContact CD1-CD2 4.07Å; L26-L98 HydrophobicContact CD1-CG 4.4Å; L26-L101 HydrophobicContact CD1-CD1 3.04Å; L26-L101 HydrophobicContact CD1-CG 4.36Å; L26-L101 HydrophobicContact CG-CD1 4.47Å
27	T	87.4	Confident	79.7	Confident	25 Å²	25	65.6 Å²	65.6	15%	0.153	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	148.9	167.8	65.3	0	0	0	0	110.7	D23 G29 S33 Y35	D23-T27 VanDerWaalsContact O-CG2 3.25Å; D23-T27 WeakPolarHBondContact O-CG2 2.88Å; D23-T27 PolarHBondContact O-OG1 3.38Å; T27-G29 PolarHBondContact O-N 3.25Å; T27-S33 WeakPolarHBondContact CA-O 3.44Å; T27-Y35 WeakPolarHBondContact O-CE2 3.2Å
28	C	89.8	Confident	80.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	117.3	176.4	172.6	0	0	0	0	110.6	T30 C31 F32 S33 Y35 C52	C28-T30 PolarHBondContact O-N 3.39Å; C28-C31 VanDerWaalsContact CB-SG 3.55Å; C28-C31 PolarHBondContact O-N 2.94Å; C28-C31 VanDerWaalsContact SG-SG 3.68Å; C28-F32 WeakPolarHBondContact O-CA 3.43Å; C28-F32 PolarHBondContact O-N 3.18Å; C28-S33 PolarHBondContact N-O 3.37Å; C28-Y35 WeakPolarHBondContact CA-OH 3.17Å; C28-Y35 HydrophobicContact CB-CD1 4.35Å; C28-Y35 HydrophobicContact CB-CE1 3.7Å; C28-C52 HydrophobicContact CB-CB 3.75Å; C28-C52 PolarHBondContact SG-N 3.04Å
29	G	84.2	Confident	81.7	Confident	43 Å²	43	67.8 Å²	67.8	44%	0.443	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-10	-179.3	0	0	0	0	0	116.3	T27	T27-G29 PolarHBondContact O-N 3.25Å
30	T	86.6	Confident	82.8	Confident	41 Å²	41	65.6 Å²	65.6	25%	0.252	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-29.6	175	-49.1	0	0	0	0	113.4	C28 C55	C28-T30 PolarHBondContact O-N 3.39Å; T30-C55 HydrophobicContact CG2-CB 4.13Å
31	C	90.4	Very high	83.8	Confident	32 Å²	32	62.4 Å²	62.4	22%	0.216	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-0.6	-175.6	61.5	0	0	0	0	114.1	C28 S33 R40 C52 C55	C28-C31 VanDerWaalsContact CB-SG 3.55Å; C28-C31 PolarHBondContact O-N 2.94Å; C28-C31 VanDerWaalsContact SG-SG 3.68Å; C31-S33 PolarHBondContact O-N 3.05Å; C31-S33 PolarHBondContact O-OG 3.13Å; C31-R40 PolarHBondContact SG-NH1 3.26Å; C31-C52 VanDerWaalsContact SG-SG 3.67Å; C31-C55 WeakPolarHBondContact CB-SG 3.07Å; C31-C55 PolarHBondContact SG-SG 3.19Å
32	F	87.4	Confident	84.8	Confident	164 Å²	164	60.3 Å²	60.3	72%	0.719	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	26.6	-180	-54.1	-79.4	0	0	0	113.8	C28	C28-F32 WeakPolarHBondContact O-CA 3.43Å; C28-F32 PolarHBondContact O-N 3.18Å
33	S	87	Confident	85.6	Confident	34 Å²	34	60.2 Å²	60.2	24%	0.238	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.1	176.9	-43.5	0	0	0	0	110.2	T27 C28 C31 R40	T27-S33 WeakPolarHBondContact CA-O 3.44Å; C28-S33 PolarHBondContact N-O 3.37Å; C31-S33 PolarHBondContact O-N 3.05Å; C31-S33 PolarHBondContact O-OG 3.13Å; S33-R40 VanDerWaalsContact CB-CZ 3.42Å; S33-R40 VanDerWaalsContact OG-CZ 3.25Å; S33-R40 PolarHBondContact OG-NH1 3.13Å; S33-R40 PolarHBondContact OG-NH2 3.46Å
34	G	87	Confident	86.5	Confident	41 Å²	41	58.3 Å²	58.3	42%	0.423	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	141.6	177.2	0	0	0	0	0	113.2	L26	L26-G34 WeakPolarHBondContact O-CA 3.47Å
35	Y	88.9	Confident	87.5	Confident	20 Å²	20	52.8 Å²	52.8	8%	0.078	30%	0.302	C	S	.	.			trans	-67.8	145	171	-63.3	-68.7	0	0	0	110.4	L26 T27 C28 R40 A42 T50 C52 V94	L26-Y35 WeakPolarHBondContact O-CD2 3.36Å; L26-Y35 PolarHBondContact O-N 3.29Å; T27-Y35 WeakPolarHBondContact O-CE2 3.2Å; C28-Y35 WeakPolarHBondContact CA-OH 3.17Å; C28-Y35 HydrophobicContact CB-CD1 4.35Å; C28-Y35 HydrophobicContact CB-CE1 3.7Å; Y35-R40 WeakPolarHBondContact CA-O 3.31Å; Y35-A42 HydrophobicContact CD1-CB 3.49Å; Y35-A42 VanDerWaalsContact CD1-CB 3.49Å; Y35-A42 HydrophobicContact CD2-CB 4.29Å; Y35-A42 HydrophobicContact CE1-CB 3.86Å; Y35-A42 HydrophobicContact CG-CB 3.73Å; Y35-T50 HydrophobicContact CE1-CG2 4.03Å; Y35-T50 HydrophobicContact CE2-CG2 4.44Å; Y35-T50 PolarHBondContact OH-O 3.3Å; Y35-C52 HydrophobicContact CD1-CB 3.96Å; Y35-C52 HydrophobicContact CE1-CB 3.96Å; Y35-V94 HydrophobicContact CD2-CG1 3.57Å; Y35-V94 HydrophobicContact CE2-CG1 4.2Å; Y35-V94 HydrophobicContact CG-CG1 4.02Å
36	N	84.5	Confident	88	Confident	58 Å²	58	51 Å²	51	31%	0.31	30%	0.304	S	S	.	.			trans	-137.5	173.7	174.8	67.1	30.4	0	0	0	110.4	S38 E39 R40 A41	N36-S38 PolarHBondContact O-N 3.49Å; N36-S38 PolarHBondContact OD1-N 2.7Å; N36-E39 PolarHBondContact OD1-N 2.88Å; N36-R40 PolarHBondContact N-O 3.17Å; N36-R40 CarbonylContact O-C 3.51Å; N36-R40 WeakPolarHBondContact OD1-CA 3.47Å; N36-R40 PolarHBondContact OD1-N 3.46Å; N36-A41 WeakPolarHBondContact O-CA 3.26Å; N36-A41 PolarHBondContact O-N 3.41Å
37	S	79.5	Confident	88.3	Confident	123 Å²	123	51.2 Å²	51.2	86%	0.86	31%	0.306	S	S	*	.	S	Bend	trans	-75.5	-4.8	-177.2	51.1	0	0	0	0	114.7
38	S	82.9	Confident	88.4	Confident	73 Å²	73	54.6 Å²	54.6	51%	0.51	33%	0.331	S	S	.	.	S	Bend	trans	-125.6	-101	-170.6	62.2	0	0	0	0	113	N36 R40 A41	N36-S38 PolarHBondContact O-N 3.49Å; N36-S38 PolarHBondContact OD1-N 2.7Å; S38-R40 VanDerWaalsContact C-N 3.3Å; S38-R40 PolarHBondContact O-N 3.21Å; S38-A41 WeakPolarHBondContact O-CB 3.1Å; S38-A41 PolarHBondContact O-N 3.28Å
39	E	85.8	Confident	88.5	Confident	127 Å²	127	57.5 Å²	57.5	59%	0.593	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-35.6	-172.1	-170.1	-175.3	175.9	0	0	112.5	N36 S54	N36-E39 PolarHBondContact OD1-N 2.88Å; E39-S54 PolarHBondContact O-N 3.33Å
40	R	89.8	Confident	88.9	Confident	68 Å²	68	56.6 Å²	56.6	26%	0.257	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	34.4	179.3	-61.1	-175.6	-177.3	-107.9	12.2	111.6	C31 S33 Y35 N36 S38 A42 C52	C31-R40 PolarHBondContact SG-NH1 3.26Å; S33-R40 VanDerWaalsContact CB-CZ 3.42Å; S33-R40 VanDerWaalsContact OG-CZ 3.25Å; S33-R40 PolarHBondContact OG-NH1 3.13Å; S33-R40 PolarHBondContact OG-NH2 3.46Å; Y35-R40 WeakPolarHBondContact CA-O 3.31Å; N36-R40 PolarHBondContact N-O 3.17Å; N36-R40 CarbonylContact O-C 3.51Å; N36-R40 WeakPolarHBondContact OD1-CA 3.47Å; N36-R40 PolarHBondContact OD1-N 3.46Å; S38-R40 VanDerWaalsContact C-N 3.3Å; S38-R40 PolarHBondContact O-N 3.21Å; R40-A42 PolarHBondContact O-N 3.02Å; R40-C52 HydrophobicContact CB-CB 3.88Å; R40-C52 HydrophobicContact CG-CB 4.41Å
41	A	89.2	Confident	89.1	Confident	22 Å²	22	54.7 Å²	54.7	18%	0.182	32%	0.318	C	S	.	.			trans	-51.6	126.2	171.2	0	0	0	0	0	111.3	N36 S38 K43 C52 R53	N36-A41 WeakPolarHBondContact O-CA 3.26Å; N36-A41 PolarHBondContact O-N 3.41Å; S38-A41 WeakPolarHBondContact O-CB 3.1Å; S38-A41 PolarHBondContact O-N 3.28Å; A41-K43 PolarHBondContact O-N 3.45Å; A41-C52 CarbonylContact O-C 3.46Å; A41-C52 WeakPolarHBondContact O-CA 3.37Å; A41-R53 HydrophobicContact CB-CB 4.35Å; A41-R53 PolarHBondContact O-N 3.24Å
42	A	91.4	Very high	89.2	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.017	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	115.5	177.8	0	0	0	0	0	110.3	Y35 R40 T50 P90 A91 V94	Y35-A42 HydrophobicContact CD1-CB 3.49Å; Y35-A42 VanDerWaalsContact CD1-CB 3.49Å; Y35-A42 HydrophobicContact CD2-CB 4.29Å; Y35-A42 HydrophobicContact CE1-CB 3.86Å; Y35-A42 HydrophobicContact CG-CB 3.73Å; R40-A42 PolarHBondContact O-N 3.02Å; A42-T50 HydrophobicContact CB-CG2 3.66Å; A42-P90 WeakPolarHBondContact O-CA 2.99Å; A42-A91 HydrophobicContact CB-CB 3.93Å; A42-A91 PolarHBondContact O-N 2.93Å; A42-V94 HydrophobicContact CB-CB 4.09Å; A42-V94 HydrophobicContact CB-CG1 3.72Å
43	K	92.2	Very high	89.5	Confident	25 Å²	25	50.1 Å²	50.1	11%	0.109	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.4	179.5	-66	-63.2	-171.2	169.9	0	110.1	A41 L45 T50 I51 R53 L56 A86 F88 P89	A41-K43 PolarHBondContact O-N 3.45Å; K43-L45 WeakPolarHBondContact O-CD1 3.42Å; K43-T50 WeakPolarHBondContact O-CA 3.37Å; K43-I51 WeakPolarHBondContact CB-O 3.42Å; K43-I51 PolarHBondContact N-O 3.3Å; K43-I51 PolarHBondContact O-N 2.93Å; K43-R53 HydrophobicContact CG-CB 4.27Å; K43-L56 HydrophobicContact CB-CD2 4.12Å; K43-A86 PolarHBondContact NZ-O 2.93Å; K43-F88 HydrophobicContact CB-CB 4.05Å; K43-F88 HydrophobicContact CD-CB 4.22Å; K43-F88 VanDerWaalsContact CD-O 3.3Å; K43-F88 WeakPolarHBondContact CD-O 3.27Å; K43-F88 HydrophobicContact CG-CB 4.48Å; K43-F88 PolarHBondContact NZ-O 3.4Å; K43-P89 WeakPolarHBondContact CA-O 3.01Å
44	L	93.4	Very high	89.8	Confident	64 Å²	64	50 Å²	50	34%	0.335	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.9	-179.7	-174.1	65.3	0	0	0	109.7	S48 P89 A91	L44-S48 WeakPolarHBondContact CD1-O 3.24Å; L44-P89 PolarHBondContact N-O 2.96Å; L44-A91 HydrophobicContact CB-CB 4.22Å
45	L	92.6	Very high	90.2	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	27%	0.272	C	S	.	.			trans	-86.6	156.3	176.4	-77.3	63.4	0	0	0	109.5	K43 C47 S48 H49 I51 F69 C71 I78	K43-L45 WeakPolarHBondContact O-CD1 3.42Å; L45-C47 PolarHBondContact O-N 2.93Å; L45-C47 VanDerWaalsContact O-N 3.15Å; L45-S48 WeakPolarHBondContact O-CA 3.46Å; L45-S48 PolarHBondContact O-N 3.16Å; L45-H49 WeakPolarHBondContact CB-O 3.44Å; L45-H49 PolarHBondContact N-O 3.24Å; L45-I51 HydrophobicContact CD1-CB 4.12Å; L45-I51 HydrophobicContact CD1-CD1 4.18Å; L45-I51 HydrophobicContact CD1-CG1 4.03Å; L45-I51 HydrophobicContact CD2-CD1 3.56Å; L45-I51 HydrophobicContact CD2-CG1 4.2Å; L45-F69 HydrophobicContact CD2-CE2 4.09Å; L45-F69 HydrophobicContact CD2-CZ 3.85Å; L45-F69 HydrophobicContact CG-CZ 4.3Å; L45-C71 HydrophobicContact CD2-CB 4.32Å; L45-I78 HydrophobicContact CB-CD1 3.78Å; L45-I78 HydrophobicContact CD2-CD1 3.5Å; L45-I78 VanDerWaalsContact CD2-CD1 3.5Å; L45-I78 HydrophobicContact CG-CD1 3.89Å
46	P	90.6	Very high	90.3	Very high	99 Å²	99	47.2 Å²	47.2	64%	0.643	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.7	177	-27.4	36.7	0	0	0	114	S48 I78	P46-S48 PolarHBondContact O-N 2.84Å; P46-S48 VanDerWaalsContact O-N 3.09Å; P46-I78 HydrophobicContact CG-CG2 3.94Å
47	C	93.4	Very high	90.7	Very high	11 Å²	11	47.2 Å²	47.2	7%	0.074	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	12.2	173.2	68.7	0	0	0	0	114	L45 H49 E76 I78	L45-C47 PolarHBondContact O-N 2.93Å; L45-C47 VanDerWaalsContact O-N 3.15Å; C47-H49 PolarHBondContact O-N 3.41Å; C47-H49 VanDerWaalsContact O-N 3.11Å; C47-H49 PolarHBondContact O-ND1 3.14Å; C47-H49 VanDerWaalsContact O-ND1 3.15Å; C47-H49 PolarHBondContact SG-ND1 2.8Å; C47-H49 VanDerWaalsContact SG-ND1 3.41Å; C47-E76 WeakPolarHBondContact CA-OE2 3.41Å; C47-E76 HydrophobicContact CB-CB 4.11Å; C47-E76 HydrophobicContact CB-CG 4.42Å; C47-E76 WeakPolarHBondContact CB-OE2 3.4Å; C47-I78 HydrophobicContact CB-CD1 4.46Å
48	S	90.2	Very high	91.2	Very high	95 Å²	95	49 Å²	49	66%	0.664	26%	0.256	S	S	*	.	S	Bend	trans	63.5	3.1	-176.2	71.4	0	0	0	0	117	L44 L45 P46	L44-S48 WeakPolarHBondContact CD1-O 3.24Å; L45-S48 WeakPolarHBondContact O-CA 3.46Å; L45-S48 PolarHBondContact O-N 3.16Å; P46-S48 PolarHBondContact O-N 2.84Å; P46-S48 VanDerWaalsContact O-N 3.09Å
49	H	91.6	Very high	91.5	Very high	61 Å²	61	46.9 Å²	46.9	28%	0.282	24%	0.238	S	C	.	.			trans	-80.9	152	173.5	-68.3	91.7	0	0	0	111.9	L45 C47 I73 C74	L45-H49 WeakPolarHBondContact CB-O 3.44Å; L45-H49 PolarHBondContact N-O 3.24Å; C47-H49 PolarHBondContact O-N 3.41Å; C47-H49 VanDerWaalsContact O-N 3.11Å; C47-H49 PolarHBondContact O-ND1 3.14Å; C47-H49 VanDerWaalsContact O-ND1 3.15Å; C47-H49 PolarHBondContact SG-ND1 2.8Å; C47-H49 VanDerWaalsContact SG-ND1 3.41Å; H49-I73 HydrophobicContact CB-CD1 3.84Å; H49-I73 WeakPolarHBondContact CD2-CG2 3.43Å; H49-I73 WeakPolarHBondContact NE2-CG2 3.29Å; H49-C74 VanDerWaalsContact CE1-CB 3.5Å; H49-C74 WeakPolarHBondContact CE1-CB 3.44Å; H49-C74 PolarHBondContact ND1-SG 3.42Å; H49-C74 VanDerWaalsContact ND1-SG 3.43Å
50	T	91.4	Very high	91.5	Very high	25 Å²	25	41.9 Å²	41.9	15%	0.153	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.2	-178.2	-57.7	0	0	0	0	111.2	Y35 A42 K43 A91 V94	Y35-T50 HydrophobicContact CE1-CG2 4.03Å; Y35-T50 HydrophobicContact CE2-CG2 4.44Å; Y35-T50 PolarHBondContact OH-O 3.3Å; A42-T50 HydrophobicContact CB-CG2 3.66Å; K43-T50 WeakPolarHBondContact O-CA 3.37Å; T50-A91 HydrophobicContact CG2-CB 3.63Å; T50-V94 HydrophobicContact CG2-CG2 4.33Å
51	I	91.8	Very high	91.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.5	179.5	-57.3	-180	0	0	0	108.7	K43 L45 C55 L56 P72 I73	K43-I51 WeakPolarHBondContact CB-O 3.42Å; K43-I51 PolarHBondContact N-O 3.3Å; K43-I51 PolarHBondContact O-N 2.93Å; L45-I51 HydrophobicContact CD1-CB 4.12Å; L45-I51 HydrophobicContact CD1-CD1 4.18Å; L45-I51 HydrophobicContact CD1-CG1 4.03Å; L45-I51 HydrophobicContact CD2-CD1 3.56Å; L45-I51 HydrophobicContact CD2-CG1 4.2Å; I51-C55 HydrophobicContact CG2-CB 3.83Å; I51-L56 HydrophobicContact CG2-CB 4.31Å; I51-P72 VanDerWaalsContact CD1-CD 3.47Å; I51-P72 HydrophobicContact CD1-CG 3.39Å; I51-I73 HydrophobicContact CG1-CD1 4.21Å
52	C	93.6	Very high	90.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	144.4	177.7	76.1	0	0	0	0	110.5	C28 C31 Y35 R40 A41 S54 C55 L56	C28-C52 HydrophobicContact CB-CB 3.75Å; C28-C52 PolarHBondContact SG-N 3.04Å; C31-C52 VanDerWaalsContact SG-SG 3.67Å; Y35-C52 HydrophobicContact CD1-CB 3.96Å; Y35-C52 HydrophobicContact CE1-CB 3.96Å; R40-C52 HydrophobicContact CB-CB 3.88Å; R40-C52 HydrophobicContact CG-CB 4.41Å; A41-C52 CarbonylContact O-C 3.46Å; A41-C52 WeakPolarHBondContact O-CA 3.37Å; C52-S54 VanDerWaalsContact C-N 3.31Å; C52-S54 PolarHBondContact O-N 3.05Å; C52-S54 PolarHBondContact SG-OG 3.29Å; C52-C55 PolarHBondContact O-N 3.09Å; C52-C55 PolarHBondContact SG-SG 2.82Å; C52-L56 PolarHBondContact O-N 2.82Å
53	R	92.9	Very high	89.5	Confident	101 Å²	101	49.5 Å²	49.5	38%	0.381	27%	0.267	S	S	.	.	H	α-helix	trans	-48.8	-48.7	-177.7	178.1	-177	167.9	-153.6	-0.4	113	A41 K43 C55 L56 D57	A41-R53 HydrophobicContact CB-CB 4.35Å; A41-R53 PolarHBondContact O-N 3.24Å; K43-R53 HydrophobicContact CG-CB 4.27Å; R53-C55 VanDerWaalsContact C-N 3.33Å; R53-C55 PolarHBondContact O-N 2.81Å; R53-L56 CarbonylContact O-C 3.51Å; R53-L56 PolarHBondContact O-N 3.48Å; R53-L56 VanDerWaalsContact O-N 3.12Å; R53-D57 WeakPolarHBondContact CG-OD2 3.06Å; R53-D57 IonicContact NE-OD2 2.72Å; R53-D57 PolarHBondContact NE-OD2 3.11Å; R53-D57 PolarHBondContact O-N 3.45Å
54	S	93.6	Very high	88	Confident	31 Å²	31	53.8 Å²	53.8	22%	0.217	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-38.8	180	59.8	0	0	0	0	114.3	E39 C52 R58	E39-S54 PolarHBondContact O-N 3.33Å; C52-S54 VanDerWaalsContact C-N 3.31Å; C52-S54 PolarHBondContact O-N 3.05Å; C52-S54 PolarHBondContact SG-OG 3.29Å; S54-R58 PolarHBondContact O-N 3.14Å; S54-R58 VanDerWaalsContact O-N 3.17Å
55	C	94.1	Very high	86.8	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-70.2	-40.6	175.6	-75.6	0	0	0	0	111.1	T30 C31 I51 C52 R53 R58 I59	T30-C55 HydrophobicContact CG2-CB 4.13Å; C31-C55 WeakPolarHBondContact CB-SG 3.07Å; C31-C55 PolarHBondContact SG-SG 3.19Å; I51-C55 HydrophobicContact CG2-CB 3.83Å; C52-C55 PolarHBondContact O-N 3.09Å; C52-C55 PolarHBondContact SG-SG 2.82Å; R53-C55 VanDerWaalsContact C-N 3.33Å; R53-C55 PolarHBondContact O-N 2.81Å; C55-R58 PolarHBondContact O-N 3.33Å; C55-I59 WeakPolarHBondContact O-CD1 3.4Å; C55-I59 VanDerWaalsContact O-CG1 3.26Å; C55-I59 WeakPolarHBondContact O-CG1 3.39Å; C55-I59 PolarHBondContact O-N 2.67Å
56	L	92	Very high	85.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-45.2	177.8	-168.7	60.9	0	0	0	111	K43 I51 C52 R53 R58 I59 L60 F69 A85 F88	K43-L56 HydrophobicContact CB-CD2 4.12Å; I51-L56 HydrophobicContact CG2-CB 4.31Å; C52-L56 PolarHBondContact O-N 2.82Å; R53-L56 CarbonylContact O-C 3.51Å; R53-L56 PolarHBondContact O-N 3.48Å; R53-L56 VanDerWaalsContact O-N 3.12Å; L56-R58 VanDerWaalsContact C-N 3.28Å; L56-R58 PolarHBondContact O-N 3.11Å; L56-I59 PolarHBondContact O-N 2.73Å; L56-I59 VanDerWaalsContact O-N 3.16Å; L56-L60 HydrophobicContact CG-CD1 4.34Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.08Å; L56-L60 PolarHBondContact O-N 2.84Å; L56-F69 HydrophobicContact CD1-CE1 4.31Å; L56-F69 HydrophobicContact CD1-CE2 3.74Å; L56-F69 HydrophobicContact CD1-CZ 3.54Å; L56-A85 HydrophobicContact CB-CB 3.94Å; L56-A85 HydrophobicContact CD2-CB 3.9Å; L56-A85 HydrophobicContact CG-CB 3.74Å; L56-F88 HydrophobicContact CD2-CB 4.46Å; L56-F88 HydrophobicContact CD2-CD2 3.53Å; L56-F88 HydrophobicContact CD2-CE2 3.98Å; L56-F88 HydrophobicContact CD2-CG 4.11Å
57	D	91.9	Very high	85.5	Confident	57 Å²	57	65.5 Å²	65.5	31%	0.305	35%	0.345	S	S	.	.	H	α-helix	trans	-55.1	-43.7	173.8	-83.5	-40.8	0	0	0	111.3	R53 L60 T61 A85	R53-D57 WeakPolarHBondContact CG-OD2 3.06Å; R53-D57 IonicContact NE-OD2 2.72Å; R53-D57 PolarHBondContact NE-OD2 3.11Å; R53-D57 PolarHBondContact O-N 3.45Å; D57-L60 PolarHBondContact O-N 2.81Å; D57-T61 WeakPolarHBondContact O-CB 3.48Å; D57-T61 PolarHBondContact O-N 2.93Å; D57-T61 PolarHBondContact O-OG1 3.24Å; D57-A85 HydrophobicContact CB-CB 4.36Å; D57-A85 WeakPolarHBondContact OD1-CB 3.47Å
58	R	90.8	Very high	85.3	Confident	161 Å²	161	67.7 Å²	67.7	61%	0.608	36%	0.358	S	S	*	.	H	α-helix	trans	-66.5	-39.9	178.2	-170.1	174.9	65.9	-166.2	0.8	113	S54 C55 L56 T61 S62	S54-R58 PolarHBondContact O-N 3.14Å; S54-R58 VanDerWaalsContact O-N 3.17Å; C55-R58 PolarHBondContact O-N 3.33Å; L56-R58 VanDerWaalsContact C-N 3.28Å; L56-R58 PolarHBondContact O-N 3.11Å; R58-T61 PolarHBondContact O-N 3.43Å; R58-S62 PolarHBondContact O-N 2.95Å
59	I	88.6	Confident	85.3	Confident	28 Å²	28	63.2 Å²	63.2	14%	0.144	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-51	176.7	-68.6	162.9	0	0	0	109.4	C55 L56 T61 S62 E63 F69 P72	C55-I59 WeakPolarHBondContact O-CD1 3.4Å; C55-I59 VanDerWaalsContact O-CG1 3.26Å; C55-I59 WeakPolarHBondContact O-CG1 3.39Å; C55-I59 PolarHBondContact O-N 2.67Å; L56-I59 PolarHBondContact O-N 2.73Å; L56-I59 VanDerWaalsContact O-N 3.16Å; I59-T61 VanDerWaalsContact C-N 3.27Å; I59-T61 PolarHBondContact O-N 3.35Å; I59-S62 PolarHBondContact O-N 3.07Å; I59-S62 PolarHBondContact O-OG 3.36Å; I59-E63 WeakPolarHBondContact CG2-OE2 3.45Å; I59-E63 PolarHBondContact O-N 2.82Å; I59-F69 HydrophobicContact CG2-CD2 3.84Å; I59-F69 HydrophobicContact CG2-CG 4.46Å; I59-P72 HydrophobicContact CD1-CG 3.92Å
60	L	86.4	Confident	85.2	Confident	23 Å²	23	67.5 Å²	67.5	12%	0.12	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-31.8	179.8	-60.5	-177.1	0	0	0	112.8	L56 D57 S62 E63 F69 I80 A85	L56-L60 HydrophobicContact CG-CD1 4.34Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.08Å; L56-L60 PolarHBondContact O-N 2.84Å; D57-L60 PolarHBondContact O-N 2.81Å; L60-S62 VanDerWaalsContact C-N 3.31Å; L60-E63 PolarHBondContact O-N 3Å; L60-F69 HydrophobicContact CD2-CB 4.2Å; L60-F69 HydrophobicContact CD2-CD1 3.6Å; L60-F69 HydrophobicContact CD2-CE1 4.05Å; L60-F69 HydrophobicContact CD2-CG 3.87Å; L60-I80 HydrophobicContact CD1-CG2 4.08Å; L60-I80 HydrophobicContact CD2-CD1 3.68Å; L60-I80 HydrophobicContact CD2-CG1 3.68Å; L60-I80 HydrophobicContact CD2-CG2 4.21Å; L60-A85 HydrophobicContact CD1-CB 3.87Å
61	T	83.8	Confident	85.3	Confident	100 Å²	100	66.3 Å²	66.3	61%	0.613	33%	0.333	S	S	*	.	H	α-helix	trans	-70.1	-27.5	174.7	-53.6	0	0	0	0	112.3	D57 R58 I59 E63 T64	D57-T61 WeakPolarHBondContact O-CB 3.48Å; D57-T61 PolarHBondContact O-N 2.93Å; D57-T61 PolarHBondContact O-OG1 3.24Å; R58-T61 PolarHBondContact O-N 3.43Å; I59-T61 VanDerWaalsContact C-N 3.27Å; I59-T61 PolarHBondContact O-N 3.35Å; T61-E63 VanDerWaalsContact C-N 3.33Å; T61-T64 WeakPolarHBondContact O-CG2 3.3Å
62	S	76.3	Confident	85.1	Confident	91 Å²	91	69.2 Å²	69.2	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-77.4	-22.2	176.4	69.3	0	0	0	0	113.2	R58 I59 L60	R58-S62 PolarHBondContact O-N 2.95Å; I59-S62 PolarHBondContact O-N 3.07Å; I59-S62 PolarHBondContact O-OG 3.36Å; L60-S62 VanDerWaalsContact C-N 3.31Å
63	E	68.2	Low	84.9	Confident	60 Å²	60	73 Å²	73	28%	0.28	37%	0.371	S	S	.	.			trans	-107.1	46	-174.4	-80.6	167.7	150.1	0	0	111.4	I59 L60 T61 Q65 S66 F69	I59-E63 WeakPolarHBondContact CG2-OE2 3.45Å; I59-E63 PolarHBondContact O-N 2.82Å; L60-E63 PolarHBondContact O-N 3Å; T61-E63 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 3.17Å; E63-S66 WeakPolarHBondContact CB-OG 3.43Å; E63-S66 PolarHBondContact O-N 3.01Å; E63-S66 PolarHBondContact O-OG 3.39Å; E63-F69 WeakPolarHBondContact OE2-CB 3.34Å
64	T	61.5	Low	84.9	Confident	115 Å²	115	70.8 Å²	70.8	71%	0.706	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-11.4	-169.5	54.3	0	0	0	0	116.5	T61	T61-T64 WeakPolarHBondContact O-CG2 3.3Å
65	Q	68.3	Low	84.7	Confident	192 Å²	192	78.2 Å²	78.2	90%	0.897	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	4	-176.5	-64	-175.4	6.9	0	0	114.7	E63	E63-Q65 PolarHBondContact O-N 3.17Å
66	S	72	Confident	84.6	Confident	46 Å²	46	83.1 Å²	83.1	32%	0.322	42%	0.417	S	S	.	.			trans	-109.7	129.4	-179.2	54.7	0	0	0	0	111.8	E63 T68 I80	E63-S66 WeakPolarHBondContact CB-OG 3.43Å; E63-S66 PolarHBondContact O-N 3.01Å; E63-S66 PolarHBondContact O-OG 3.39Å; S66-T68 WeakPolarHBondContact CB-O 3.28Å; S66-T68 PolarHBondContact O-N 3.39Å; S66-T68 PolarHBondContact OG-O 3.12Å; S66-T68 VanDerWaalsContact OG-O 3.14Å; S66-I80 WeakPolarHBondContact O-CD1 3.46Å
67	E	83.8	Confident	84.6	Confident	175 Å²	175	87.4 Å²	87.4	82%	0.818	44%	0.439	S	S	*	.	S	Bend	trans	-68.2	-11.8	173.8	-63.4	-178.6	171.8	0	0	113.1	I80	E67-I80 PolarHBondContact O-N 3.29Å
68	T	88.5	Confident	84.6	Confident	57 Å²	57	84.9 Å²	84.9	35%	0.35	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144	179.4	65.5	0	0	0	0	110.4	S66 I78	S66-T68 WeakPolarHBondContact CB-O 3.28Å; S66-T68 PolarHBondContact O-N 3.39Å; S66-T68 PolarHBondContact OG-O 3.12Å; S66-T68 VanDerWaalsContact OG-O 3.14Å; T68-I78 CarbonylContact C-O 3.55Å; T68-I78 WeakPolarHBondContact CA-O 3.24Å
69	F	89.6	Confident	84.5	Confident	1 Å²	1	80.5 Å²	80.5	0%	0.004	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	163.4	168.7	74.8	-74.2	0	0	0	111.7	L45 L56 I59 L60 E63 N77 I78 I80 F88	L45-F69 HydrophobicContact CD2-CE2 4.09Å; L45-F69 HydrophobicContact CD2-CZ 3.85Å; L45-F69 HydrophobicContact CG-CZ 4.3Å; L56-F69 HydrophobicContact CD1-CE1 4.31Å; L56-F69 HydrophobicContact CD1-CE2 3.74Å; L56-F69 HydrophobicContact CD1-CZ 3.54Å; I59-F69 HydrophobicContact CG2-CD2 3.84Å; I59-F69 HydrophobicContact CG2-CG 4.46Å; L60-F69 HydrophobicContact CD2-CB 4.2Å; L60-F69 HydrophobicContact CD2-CD1 3.6Å; L60-F69 HydrophobicContact CD2-CE1 4.05Å; L60-F69 HydrophobicContact CD2-CG 3.87Å; E63-F69 WeakPolarHBondContact OE2-CB 3.34Å; F69-N77 CarbonylContact O-C 3.59Å; F69-N77 WeakPolarHBondContact O-CA 3.45Å; F69-I78 HydrophobicContact CD1-CB 4.08Å; F69-I78 HydrophobicContact CD1-CG2 4.28Å; F69-I78 WeakPolarHBondContact CD1-O 3.37Å; F69-I78 HydrophobicContact CE1-CB 3.66Å; F69-I78 HydrophobicContact CE1-CG2 3.52Å; F69-I78 HydrophobicContact CE2-CD1 4.47Å; F69-I78 HydrophobicContact CZ-CB 4.04Å; F69-I78 HydrophobicContact CZ-CD1 4.02Å; F69-I78 HydrophobicContact CZ-CG2 4.03Å; F69-I78 PolarHBondContact N-O 3.13Å; F69-I78 PolarHBondContact O-N 3.25Å; F69-I80 HydrophobicContact CD1-CG1 3.87Å; F69-F88 HydrophobicContact CE1-CE2 4.29Å; F69-F88 AromaticContact CE1-CZ 3.79Å; F69-F88 HydrophobicContact CE1-CZ 3.79Å; F69-F88 HydrophobicContact CZ-CZ 4.36Å
70	R	90.7	Very high	84.4	Confident	152 Å²	152	81.4 Å²	81.4	57%	0.574	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	128.7	172.9	-78.4	178.6	-177.8	-105.7	7.4	111	P72 R75 N77	R70-P72 WeakPolarHBondContact O-CD 3.39Å; R70-R75 PolarHBondContact NH1-O 2.85Å; R70-N77 WeakPolarHBondContact CG-OD1 3.4Å; R70-N77 PolarHBondContact NE-OD1 2.86Å
71	C	92.2	Very high	84.4	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	44%	0.436	C	S	.	.			trans	-55.3	123.8	171	-177.4	0	0	0	0	109.8	L45 I73 C74 R75 E76 I78	L45-C71 HydrophobicContact CD2-CB 4.32Å; C71-I73 PolarHBondContact O-N 2.9Å; C71-I73 VanDerWaalsContact O-N 3.08Å; C71-C74 VanDerWaalsContact SG-SG 3.62Å; C71-R75 WeakPolarHBondContact O-CA 3.44Å; C71-R75 PolarHBondContact O-N 3.08Å; C71-E76 PolarHBondContact N-O 3.33Å; C71-I78 HydrophobicContact CB-CD1 3.77Å
72	P	88.8	Confident	84.3	Confident	61 Å²	61	84.2 Å²	84.2	40%	0.396	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.7	-179.8	23.2	-33.9	0	0	0	113.7	I51 I59 R70	I51-P72 VanDerWaalsContact CD1-CD 3.47Å; I51-P72 HydrophobicContact CD1-CG 3.39Å; I59-P72 HydrophobicContact CD1-CG 3.92Å; R70-P72 WeakPolarHBondContact O-CD 3.39Å
73	I	88.9	Confident	84.6	Confident	79 Å²	79	82 Å²	82	41%	0.405	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-57.4	-177.1	-57	160.2	0	0	0	110.8	H49 I51 C71	H49-I73 HydrophobicContact CB-CD1 3.84Å; H49-I73 WeakPolarHBondContact CD2-CG2 3.43Å; H49-I73 WeakPolarHBondContact NE2-CG2 3.29Å; I51-I73 HydrophobicContact CG1-CD1 4.21Å; C71-I73 PolarHBondContact O-N 2.9Å; C71-I73 VanDerWaalsContact O-N 3.08Å
74	C	92.8	Very high	85.4	Confident	54 Å²	54	80.3 Å²	80.3	37%	0.365	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-6.3	-177.7	62.4	0	0	0	0	115.1	H49 C71 E76	H49-C74 VanDerWaalsContact CE1-CB 3.5Å; H49-C74 WeakPolarHBondContact CE1-CB 3.44Å; H49-C74 PolarHBondContact ND1-SG 3.42Å; H49-C74 VanDerWaalsContact ND1-SG 3.43Å; C71-C74 VanDerWaalsContact SG-SG 3.62Å; C74-E76 PolarHBondContact O-N 2.99Å
75	R	90	Very high	86.6	Confident	188 Å²	188	74.9 Å²	74.9	71%	0.709	41%	0.41	S	S	*	.			trans	62.9	12.9	-178.6	-53.5	-178.8	179.4	-175.6	-0.3	116.1	R70 C71	R70-R75 PolarHBondContact NH1-O 2.85Å; C71-R75 WeakPolarHBondContact O-CA 3.44Å; C71-R75 PolarHBondContact O-N 3.08Å
76	E	92.2	Very high	87.4	Confident	106 Å²	106	68 Å²	68	50%	0.495	39%	0.386	S	S	.	.			trans	-61.3	136.5	169.6	-170.8	167.9	-176	0	0	110.3	C47 C71 C74 I78	C47-E76 WeakPolarHBondContact CA-OE2 3.41Å; C47-E76 HydrophobicContact CB-CB 4.11Å; C47-E76 HydrophobicContact CB-CG 4.42Å; C47-E76 WeakPolarHBondContact CB-OE2 3.4Å; C71-E76 PolarHBondContact N-O 3.33Å; C74-E76 PolarHBondContact O-N 2.99Å; E76-I78 PolarHBondContact O-N 2.78Å
77	N	91.6	Very high	88.3	Confident	90 Å²	90	68.9 Å²	68.9	48%	0.481	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121	176.3	-88	5.3	0	0	0	109.4	F69 R70	F69-N77 CarbonylContact O-C 3.59Å; F69-N77 WeakPolarHBondContact O-CA 3.45Å; R70-N77 WeakPolarHBondContact CG-OD1 3.4Å; R70-N77 PolarHBondContact NE-OD1 2.86Å
78	I	91	Very high	88.7	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.021	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.5	-176.3	-65.8	164	0	0	0	108.8	L45 P46 C47 T68 F69 C71 E76 F88	L45-I78 HydrophobicContact CB-CD1 3.78Å; L45-I78 HydrophobicContact CD2-CD1 3.5Å; L45-I78 VanDerWaalsContact CD2-CD1 3.5Å; L45-I78 HydrophobicContact CG-CD1 3.89Å; P46-I78 HydrophobicContact CG-CG2 3.94Å; C47-I78 HydrophobicContact CB-CD1 4.46Å; T68-I78 CarbonylContact C-O 3.55Å; T68-I78 WeakPolarHBondContact CA-O 3.24Å; F69-I78 HydrophobicContact CD1-CB 4.08Å; F69-I78 HydrophobicContact CD1-CG2 4.28Å; F69-I78 WeakPolarHBondContact CD1-O 3.37Å; F69-I78 HydrophobicContact CE1-CB 3.66Å; F69-I78 HydrophobicContact CE1-CG2 3.52Å; F69-I78 HydrophobicContact CE2-CD1 4.47Å; F69-I78 HydrophobicContact CZ-CB 4.04Å; F69-I78 HydrophobicContact CZ-CD1 4.02Å; F69-I78 HydrophobicContact CZ-CG2 4.03Å; F69-I78 PolarHBondContact N-O 3.13Å; F69-I78 PolarHBondContact O-N 3.25Å; C71-I78 HydrophobicContact CB-CD1 3.77Å; E76-I78 PolarHBondContact O-N 2.78Å; I78-F88 HydrophobicContact CG2-CE1 3.77Å; I78-F88 HydrophobicContact CG2-CZ 3.88Å
79	A	89.1	Confident	88.8	Confident	68 Å²	68	61.7 Å²	61.7	56%	0.562	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.4	173.1	0	0	0	0	0	111	P81	A79-P81 WeakPolarHBondContact O-CD 3.2Å
80	I	87.5	Confident	88.8	Confident	47 Å²	47	65.3 Å²	65.3	24%	0.241	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-83.2	119.5	179.6	-56.3	169.2	0	0	0	108.4	L60 S66 E67 F69	L60-I80 HydrophobicContact CD1-CG2 4.08Å; L60-I80 HydrophobicContact CD2-CD1 3.68Å; L60-I80 HydrophobicContact CD2-CG1 3.68Å; L60-I80 HydrophobicContact CD2-CG2 4.21Å; S66-I80 WeakPolarHBondContact O-CD1 3.46Å; E67-I80 PolarHBondContact O-N 3.29Å; F69-I80 HydrophobicContact CD1-CG1 3.87Å
81	P	85.6	Confident	88.8	Confident	42 Å²	42	58.2 Å²	58.2	27%	0.273	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-64.4	150.7	174.9	-15.3	27.3	0	0	0	110.7	A79 G83 G84 F88	A79-P81 WeakPolarHBondContact O-CD 3.2Å; P81-G83 PolarHBondContact O-N 3.25Å; P81-G84 PolarHBondContact O-N 2.82Å; P81-F88 HydrophobicContact CG-CD1 4.3Å; P81-F88 HydrophobicContact CG-CD2 4.11Å; P81-F88 HydrophobicContact CG-CE1 3.99Å; P81-F88 HydrophobicContact CG-CE2 3.82Å; P81-F88 HydrophobicContact CG-CG 4.36Å; P81-F88 HydrophobicContact CG-CZ 3.75Å
82	S	82.5	Confident	88.5	Confident	141 Å²	141	64.9 Å²	64.9	99%	0.986	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.6	-175	37.1	0	0	0	0	115.4
83	G	81.8	Confident	88.3	Confident	43 Å²	43	66.9 Å²	66.9	44%	0.443	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	25	172.9	0	0	0	0	0	114.7	P81 S87	P81-G83 PolarHBondContact O-N 3.25Å; G83-S87 WeakPolarHBondContact CA-OG 3.35Å; G83-S87 PolarHBondContact N-OG 2.85Å; G83-S87 PolarHBondContact O-OG 2.87Å; G83-S87 VanDerWaalsContact O-OG 3.07Å
84	G	85.8	Confident	88.1	Confident	25 Å²	25	63.6 Å²	63.6	26%	0.258	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	64.9	-154.8	173.6	0	0	0	0	0	114.5	P81 A86 S87	P81-G84 PolarHBondContact O-N 2.82Å; G84-A86 PolarHBondContact O-N 3.41Å; G84-A86 VanDerWaalsContact O-N 3.16Å; G84-S87 WeakPolarHBondContact O-CB 3.34Å; G84-S87 PolarHBondContact O-N 2.83Å
85	A	86.3	Confident	87.4	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.008	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-59.1	-32.8	-173.8	0	0	0	0	0	113.3	L56 D57 L60 S87 F88	L56-A85 HydrophobicContact CB-CB 3.94Å; L56-A85 HydrophobicContact CD2-CB 3.9Å; L56-A85 HydrophobicContact CG-CB 3.74Å; D57-A85 HydrophobicContact CB-CB 4.36Å; D57-A85 WeakPolarHBondContact OD1-CB 3.47Å; L60-A85 HydrophobicContact CD1-CB 3.87Å; A85-S87 PolarHBondContact O-N 2.98Å; A85-F88 PolarHBondContact O-N 2.84Å
86	A	85.5	Confident	87	Confident	48 Å²	48	59 Å²	59	40%	0.397	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-65	-25.8	179.9	0	0	0	0	0	112.9	K43 G84 F88	K43-A86 PolarHBondContact NZ-O 2.93Å; G84-A86 PolarHBondContact O-N 3.41Å; G84-A86 VanDerWaalsContact O-N 3.16Å; A86-F88 VanDerWaalsContact C-N 3.31Å; A86-F88 PolarHBondContact O-N 3.07Å
87	S	90.1	Very high	86.5	Confident	64 Å²	64	56.2 Å²	56.2	45%	0.448	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-81.6	-6.7	-176.6	-64.1	0	0	0	0	114.2	G83 G84 A85	G83-S87 WeakPolarHBondContact CA-OG 3.35Å; G83-S87 PolarHBondContact N-OG 2.85Å; G83-S87 PolarHBondContact O-OG 2.87Å; G83-S87 VanDerWaalsContact O-OG 3.07Å; G84-S87 WeakPolarHBondContact O-CB 3.34Å; G84-S87 PolarHBondContact O-N 2.83Å; A85-S87 PolarHBondContact O-N 2.98Å
88	F	92.3	Very high	86	Confident	7 Å²	7	54.1 Å²	54.1	3%	0.031	34%	0.337	C	S	.	.	S	Bend	trans	-69.2	144.5	168.5	-75.2	-83.7	0	0	0	110.9	K43 L56 F69 I78 P81 A85 A86	K43-F88 HydrophobicContact CB-CB 4.05Å; K43-F88 HydrophobicContact CD-CB 4.22Å; K43-F88 VanDerWaalsContact CD-O 3.3Å; K43-F88 WeakPolarHBondContact CD-O 3.27Å; K43-F88 HydrophobicContact CG-CB 4.48Å; K43-F88 PolarHBondContact NZ-O 3.4Å; L56-F88 HydrophobicContact CD2-CB 4.46Å; L56-F88 HydrophobicContact CD2-CD2 3.53Å; L56-F88 HydrophobicContact CD2-CE2 3.98Å; L56-F88 HydrophobicContact CD2-CG 4.11Å; F69-F88 HydrophobicContact CE1-CE2 4.29Å; F69-F88 AromaticContact CE1-CZ 3.79Å; F69-F88 HydrophobicContact CE1-CZ 3.79Å; F69-F88 HydrophobicContact CZ-CZ 4.36Å; I78-F88 HydrophobicContact CG2-CE1 3.77Å; I78-F88 HydrophobicContact CG2-CZ 3.88Å; P81-F88 HydrophobicContact CG-CD1 4.3Å; P81-F88 HydrophobicContact CG-CD2 4.11Å; P81-F88 HydrophobicContact CG-CE1 3.99Å; P81-F88 HydrophobicContact CG-CE2 3.82Å; P81-F88 HydrophobicContact CG-CG 4.36Å; P81-F88 HydrophobicContact CG-CZ 3.75Å; A85-F88 PolarHBondContact O-N 2.84Å; A86-F88 VanDerWaalsContact C-N 3.31Å; A86-F88 PolarHBondContact O-N 3.07Å
89	P	90.8	Very high	85.2	Confident	74 Å²	74	58.9 Å²	58.9	48%	0.481	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-57.3	144.2	177.1	-22.2	31.4	0	0	0	111.8	K43 L44	K43-P89 WeakPolarHBondContact CA-O 3.01Å; L44-P89 PolarHBondContact N-O 2.96Å
90	P	90.1	Very high	84.5	Confident	78 Å²	78	61.8 Å²	61.8	51%	0.506	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-65.9	141.9	168.5	28.7	-32.5	0	0	0	110.5	A42 F92	A42-P90 WeakPolarHBondContact O-CA 2.99Å; P90-F92 PolarHBondContact O-N 2.72Å
91	A	89.3	Confident	83.7	Confident	2 Å²	2	61.5 Å²	61.5	2%	0.017	37%	0.367	C	S	.	.			trans	-76.1	88.1	173.1	0	0	0	0	0	109.9	A42 L44 T50 I93 V94 N95	A42-A91 HydrophobicContact CB-CB 3.93Å; A42-A91 PolarHBondContact O-N 2.93Å; L44-A91 HydrophobicContact CB-CB 4.22Å; T50-A91 HydrophobicContact CG2-CB 3.63Å; A91-I93 VanDerWaalsContact C-N 3.3Å; A91-I93 PolarHBondContact O-N 2.65Å; A91-V94 HydrophobicContact CB-CB 4Å; A91-V94 HydrophobicContact CB-CG2 3.82Å; A91-V94 WeakPolarHBondContact O-CB 3.27Å; A91-V94 PolarHBondContact O-N 2.98Å; A91-N95 PolarHBondContact O-N 3.48Å; A91-N95 VanDerWaalsContact O-N 3.14Å
92	F	86.2	Confident	82.8	Confident	140 Å²	140	63 Å²	63	61%	0.614	38%	0.383	S	S	*	.	H	α-helix	trans	-56.8	-40.1	-172.9	-174.5	-104.8	0	0	0	113.5	P90 V94 N95 Q96	P90-F92 PolarHBondContact O-N 2.72Å; F92-V94 VanDerWaalsContact C-N 3.32Å; F92-V94 PolarHBondContact O-N 3.42Å; F92-N95 PolarHBondContact O-N 3.31Å; F92-Q96 HydrophobicContact CD1-CG 4.03Å; F92-Q96 HydrophobicContact CE1-CG 3.69Å; F92-Q96 HydrophobicContact CZ-CG 3.95Å; F92-Q96 PolarHBondContact O-N 3.48Å
93	I	84.6	Confident	81.9	Confident	103 Å²	103	61.5 Å²	61.5	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-63.4	-38	177.6	-168.9	61.2	0	0	0	112.1	A91 N95 Q96 L97	A91-I93 VanDerWaalsContact C-N 3.3Å; A91-I93 PolarHBondContact O-N 2.65Å; I93-N95 VanDerWaalsContact C-N 3.32Å; I93-N95 PolarHBondContact O-N 3.13Å; I93-Q96 PolarHBondContact O-N 3.44Å; I93-L97 HydrophobicContact CG1-CD1 4.18Å; I93-L97 HydrophobicContact CG1-CG 4.44Å; I93-L97 WeakPolarHBondContact O-CB 3.46Å; I93-L97 WeakPolarHBondContact O-CG 3.4Å; I93-L97 PolarHBondContact O-N 3.23Å
94	V	85.4	Confident	80.5	Confident	11 Å²	11	64.2 Å²	64.2	7%	0.067	37%	0.369	C	S	.	.	H	α-helix	trans	-64.6	-41.5	176.4	175.9	0	0	0	0	109.8	L26 Y35 A42 T50 A91 F92 L97 L98	L26-V94 HydrophobicContact CD2-CG1 3.9Å; Y35-V94 HydrophobicContact CD2-CG1 3.57Å; Y35-V94 HydrophobicContact CE2-CG1 4.2Å; Y35-V94 HydrophobicContact CG-CG1 4.02Å; A42-V94 HydrophobicContact CB-CB 4.09Å; A42-V94 HydrophobicContact CB-CG1 3.72Å; T50-V94 HydrophobicContact CG2-CG2 4.33Å; A91-V94 HydrophobicContact CB-CB 4Å; A91-V94 HydrophobicContact CB-CG2 3.82Å; A91-V94 WeakPolarHBondContact O-CB 3.27Å; A91-V94 PolarHBondContact O-N 2.98Å; F92-V94 VanDerWaalsContact C-N 3.32Å; F92-V94 PolarHBondContact O-N 3.42Å; V94-L97 PolarHBondContact O-N 3.08Å; V94-L98 HydrophobicContact CG1-CD1 4.14Å; V94-L98 WeakPolarHBondContact O-CB 3.19Å; V94-L98 VanDerWaalsContact O-CG 3.26Å; V94-L98 WeakPolarHBondContact O-CG 3.35Å; V94-L98 PolarHBondContact O-N 3.28Å
95	N	78.7	Confident	78.4	Confident	50 Å²	50	73.7 Å²	73.7	27%	0.267	40%	0.397	S	S	.	.	H	α-helix	trans	-65.7	-42.6	175.1	-65.8	-21.5	0	0	0	112.1	A91 F92 I93 L97 L98 D99	A91-N95 PolarHBondContact O-N 3.48Å; A91-N95 VanDerWaalsContact O-N 3.14Å; F92-N95 PolarHBondContact O-N 3.31Å; I93-N95 VanDerWaalsContact C-N 3.32Å; I93-N95 PolarHBondContact O-N 3.13Å; N95-L97 VanDerWaalsContact C-N 3.29Å; N95-L97 PolarHBondContact O-N 2.91Å; N95-L98 PolarHBondContact O-N 3.33Å; N95-D99 WeakPolarHBondContact O-CB 3.2Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 3.29Å
96	Q	81.6	Confident	76.7	Confident	95 Å²	95	82.1 Å²	82.1	44%	0.444	43%	0.428	S	S	.	.	H	α-helix	trans	-62.5	-37.4	174.7	-75	-167	-36.8	0	0	112.3	F92 I93 D99 L100	F92-Q96 HydrophobicContact CD1-CG 4.03Å; F92-Q96 HydrophobicContact CE1-CG 3.69Å; F92-Q96 HydrophobicContact CZ-CG 3.95Å; F92-Q96 PolarHBondContact O-N 3.48Å; I93-Q96 PolarHBondContact O-N 3.44Å; Q96-D99 PolarHBondContact O-N 3.5Å; Q96-L100 VanDerWaalsContact O-CB 3.24Å; Q96-L100 WeakPolarHBondContact O-CB 3.46Å; Q96-L100 PolarHBondContact O-N 3.49Å
97	L	81.4	Confident	75.1	Confident	47 Å²	47	85.4 Å²	85.4	25%	0.246	44%	0.439	C	S	.	.	H	α-helix	trans	-69.9	-39.7	175.8	-70.4	170.8	0	0	0	111.4	F21 L26 I93 V94 N95 L100 L101	F21-L97 HydrophobicContact CE1-CD2 4.43Å; F21-L97 HydrophobicContact CZ-CD1 4.34Å; F21-L97 HydrophobicContact CZ-CD2 4.25Å; L26-L97 HydrophobicContact CD1-CB 4.27Å; L26-L97 HydrophobicContact CD2-CB 3.86Å; L26-L97 HydrophobicContact CD2-CD1 4.12Å; I93-L97 HydrophobicContact CG1-CD1 4.18Å; I93-L97 HydrophobicContact CG1-CG 4.44Å; I93-L97 WeakPolarHBondContact O-CB 3.46Å; I93-L97 WeakPolarHBondContact O-CG 3.4Å; I93-L97 PolarHBondContact O-N 3.23Å; V94-L97 PolarHBondContact O-N 3.08Å; N95-L97 VanDerWaalsContact C-N 3.29Å; N95-L97 PolarHBondContact O-N 2.91Å; L97-L100 PolarHBondContact O-N 2.92Å; L97-L101 WeakPolarHBondContact O-CB 3.41Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.32Å; L97-L101 PolarHBondContact O-N 3.3Å
98	L	79.6	Confident	73.4	Confident	47 Å²	47	87.1 Å²	87.1	25%	0.246	45%	0.447	C	S	.	.	H	α-helix	trans	-61.4	-43.2	171.6	-74	168.6	0	0	0	111.3	L26 V94 N95 L101 A102	L26-L98 HydrophobicContact CB-CD2 4.47Å; L26-L98 HydrophobicContact CD1-CD2 4.07Å; L26-L98 HydrophobicContact CD1-CG 4.4Å; V94-L98 HydrophobicContact CG1-CD1 4.14Å; V94-L98 WeakPolarHBondContact O-CB 3.19Å; V94-L98 VanDerWaalsContact O-CG 3.26Å; V94-L98 WeakPolarHBondContact O-CG 3.35Å; V94-L98 PolarHBondContact O-N 3.28Å; N95-L98 PolarHBondContact O-N 3.33Å; L98-L101 PolarHBondContact O-N 3.43Å; L98-A102 VanDerWaalsContact O-CB 3.29Å; L98-A102 WeakPolarHBondContact O-CB 3.3Å; L98-A102 PolarHBondContact O-N 3.14Å
99	D	76	Confident	71.8	Confident	104 Å²	104	88.1 Å²	88.1	56%	0.556	45%	0.454	S	S	*	.	H	α-helix	trans	-66.5	-40.8	176.4	-72.8	-19.1	0	0	0	111.4	N95 Q96 A102 T103	N95-D99 WeakPolarHBondContact O-CB 3.2Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 3.29Å; Q96-D99 PolarHBondContact O-N 3.5Å; D99-A102 PolarHBondContact O-N 3.49Å; D99-T103 WeakPolarHBondContact O-CB 3.18Å; D99-T103 PolarHBondContact O-N 2.72Å; D99-T103 PolarHBondContact O-OG1 2.98Å
100	L	72.7	Confident	70.7	Confident	129 Å²	129	85.7 Å²	85.7	68%	0.675	44%	0.438	S	S	*	.	H	α-helix	trans	-62.5	-43.9	176.4	-168.2	97	0	0	0	111	Q96 L97 T103	Q96-L100 VanDerWaalsContact O-CB 3.24Å; Q96-L100 WeakPolarHBondContact O-CB 3.46Å; Q96-L100 PolarHBondContact O-N 3.49Å; L97-L100 PolarHBondContact O-N 2.92Å; L100-T103 PolarHBondContact O-N 2.86Å
101	L	71.5	Confident	69.8	Low	41 Å²	41	87.2 Å²	87.2	22%	0.215	44%	0.436	C	S	.	.	H	α-helix	trans	-63	-43.2	174.2	-75.9	170.8	0	0	0	111.7	V18 F21 A22 L26 L97 L98 T103 H104	V18-L101 HydrophobicContact CG1-CD2 3.37Å; F21-L101 HydrophobicContact CD1-CD1 4.49Å; A22-L101 HydrophobicContact CB-CD1 4.44Å; L26-L101 HydrophobicContact CD1-CD1 3.04Å; L26-L101 HydrophobicContact CD1-CG 4.36Å; L26-L101 HydrophobicContact CG-CD1 4.47Å; L97-L101 WeakPolarHBondContact O-CB 3.41Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.32Å; L97-L101 PolarHBondContact O-N 3.3Å; L98-L101 PolarHBondContact O-N 3.43Å; L101-T103 VanDerWaalsContact C-N 3.34Å; L101-T103 PolarHBondContact O-N 3.14Å; L101-H104 PolarHBondContact O-N 3.12Å
102	A	67.8	Low	69.2	Low	74 Å²	74	87.6 Å²	87.6	61%	0.612	44%	0.439	S	S	*	.	H	α-helix	trans	-67.4	-32.6	177.8	0	0	0	0	0	112.9	L98 D99 H104	L98-A102 VanDerWaalsContact O-CB 3.29Å; L98-A102 WeakPolarHBondContact O-CB 3.3Å; L98-A102 PolarHBondContact O-N 3.14Å; D99-A102 PolarHBondContact O-N 3.49Å; A102-H104 PolarHBondContact O-N 3.13Å
103	T	61.5	Low	68.8	Low	109 Å²	109	85.3 Å²	85.3	67%	0.669	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.2	179.8	-51.8	0	0	0	0	112.5	D99 L100 L101 R105	D99-T103 WeakPolarHBondContact O-CB 3.18Å; D99-T103 PolarHBondContact O-N 2.72Å; D99-T103 PolarHBondContact O-OG1 2.98Å; L100-T103 PolarHBondContact O-N 2.86Å; L101-T103 VanDerWaalsContact C-N 3.34Å; L101-T103 PolarHBondContact O-N 3.14Å; T103-R105 PolarHBondContact O-N 2.72Å; T103-R105 VanDerWaalsContact O-N 3.11Å
104	H	54.3	Low	68.6	Low	100 Å²	100	85.6 Å²	85.6	46%	0.463	44%	0.44	S	S	.	.			trans	34.1	68.3	157.9	-106.9	-42.5	0	0	0	114.7	L101 A102 R106	L101-H104 PolarHBondContact O-N 3.12Å; A102-H104 PolarHBondContact O-N 3.13Å; H104-R106 HydrophobicContact CB-CG 4.12Å; H104-R106 PolarHBondContact CD2-NE 3.31Å; H104-R106 PolarHBondContact CE1-NE 3.09Å; H104-R106 VanDerWaalsContact CE1-NE 3.26Å; H104-R106 WeakPolarHBondContact ND1-CG 3.29Å; H104-R106 PolarHBondContact ND1-NE 3.27Å; H104-R106 PolarHBondContact NE2-NE 3.07Å; H104-R106 PolarHBondContact NE2-NH2 3.08Å; H104-R106 VanDerWaalsContact NE2-NH2 3.12Å; H104-R106 PolarHBondContact O-N 3.06Å
105	R	41.3	Very low	68.3	Low	223 Å²	223	87.1 Å²	87.1	84%	0.842	45%	0.447	S	S	*	.			trans	-76.5	74.5	148.1	-74.6	-167.8	178.6	-179.1	1.5	107.1	T103 D107	T103-R105 PolarHBondContact O-N 2.72Å; T103-R105 VanDerWaalsContact O-N 3.11Å; R105-D107 PolarHBondContact O-N 2.82Å
106	R	50.8	Low	68.1	Low	178 Å²	178	89.2 Å²	89.2	67%	0.672	46%	0.463	S	S	*	.			trans	-50.9	129.8	171.4	-71.2	-179.7	178.2	-176.6	-3.8	108	H104	H104-R106 HydrophobicContact CB-CG 4.12Å; H104-R106 PolarHBondContact CD2-NE 3.31Å; H104-R106 PolarHBondContact CE1-NE 3.09Å; H104-R106 VanDerWaalsContact CE1-NE 3.26Å; H104-R106 WeakPolarHBondContact ND1-CG 3.29Å; H104-R106 PolarHBondContact ND1-NE 3.27Å; H104-R106 PolarHBondContact NE2-NE 3.07Å; H104-R106 PolarHBondContact NE2-NH2 3.08Å; H104-R106 VanDerWaalsContact NE2-NH2 3.12Å; H104-R106 PolarHBondContact O-N 3.06Å
107	D	51.7	Low	68	Low	118 Å²	118	88.4 Å²	88.4	63%	0.631	47%	0.468	S	S	*	.			trans	50.9	74.2	168.3	-47.6	-33.3	0	0	0	112.6	R105 V109	R105-D107 PolarHBondContact O-N 2.82Å; D107-V109 HydrophobicContact CB-CG2 4.37Å; D107-V109 PolarHBondContact O-N 2.84Å
108	V	54	Low	67.9	Low	99 Å²	99	88.5 Å²	88.5	60%	0.6	47%	0.467	S	S	*	.			trans	-68.1	75.3	152.9	-170.6	0	0	0	0	105.9	P110	V108-P110 VanDerWaalsContact O-CD 3.27Å; V108-P110 WeakPolarHBondContact O-CD 3.42Å
109	V	58	Low	67.8	Low	29 Å²	29	92.2 Å²	92.2	18%	0.176	48%	0.483	C	S	.	.			trans	-47.4	116	155.6	173.7	0	0	0	0	103.6	D107 K111 L120 F180 N181	D107-V109 HydrophobicContact CB-CG2 4.37Å; D107-V109 PolarHBondContact O-N 2.84Å; V109-K111 PolarHBondContact O-N 3.02Å; V109-K111 VanDerWaalsContact O-N 3.07Å; V109-L120 HydrophobicContact CG1-CB 4.33Å; V109-F180 HydrophobicContact CG1-CB 4.05Å; V109-F180 HydrophobicContact CG1-CD1 4.18Å; V109-N181 HydrophobicContact CG2-CB 3.9Å
110	P	67.5	Low	68.2	Low	23 Å²	23	88.4 Å²	88.4	15%	0.149	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-50.9	128	-178.3	11.2	-22.1	0	0	0	106.9	T13 V108 L120 F180	T13-P110 HydrophobicContact CG2-CB 4.2Å; V108-P110 VanDerWaalsContact O-CD 3.27Å; V108-P110 WeakPolarHBondContact O-CD 3.42Å; P110-L120 HydrophobicContact CB-CD1 4.14Å; P110-L120 HydrophobicContact CG-CD1 4.18Å; P110-L120 WeakPolarHBondContact O-CD1 3.45Å; P110-L120 WeakPolarHBondContact O-CG 3.39Å; P110-F180 HydrophobicContact CG-CD1 4.46Å; P110-F180 HydrophobicContact CG-CE1 4.12Å
111	K	71.8	Confident	68.7	Low	110 Å²	110	84.4 Å²	84.4	48%	0.478	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-79.3	161.6	176.8	-63.6	-168.4	179.2	-168.6	0	108.2	V109 C113 P116 Q118	V109-K111 PolarHBondContact O-N 3.02Å; V109-K111 VanDerWaalsContact O-N 3.07Å; K111-C113 PolarHBondContact O-N 3.33Å; K111-P116 WeakPolarHBondContact CD-O 3.49Å; K111-Q118 WeakPolarHBondContact CA-O 3.46Å; K111-Q118 WeakPolarHBondContact CB-O 3.25Å
112	C	77.5	Confident	69.3	Low	10 Å²	10	83.9 Å²	83.9	7%	0.068	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-57.7	131.4	177.3	-177.8	0	0	0	0	110.6	I114 H115 P116 Q118 L120 C131 C134	C112-I114 PolarHBondContact O-N 3.06Å; C112-H115 HydrophobicContact CB-CB 4.05Å; C112-H115 WeakPolarHBondContact CB-O 3.23Å; C112-H115 CarbonylContact O-C 3.07Å; C112-H115 PolarHBondContact O-N 3.37Å; C112-H115 VanDerWaalsContact O-O 3.14Å; C112-P116 WeakPolarHBondContact O-CA 3.49Å; C112-Q118 PolarHBondContact N-O 3.29Å; C112-L120 HydrophobicContact CB-CD2 4Å; C112-C131 HydrophobicContact CB-CB 3.66Å; C112-C131 WeakPolarHBondContact CB-SG 3.26Å; C112-C134 PolarHBondContact SG-SG 2.77Å
113	C	77.3	Confident	70	Confident	92 Å²	92	80.4 Å²	80.4	62%	0.622	41%	0.409	S	S	*	.	S	Bend	trans	-64	-27.7	179.4	57.2	0	0	0	0	112.8	V11 K111	V11-C113 HydrophobicContact CG2-CB 4.12Å; K111-C113 PolarHBondContact O-N 3.33Å
114	I	79.3	Confident	71	Confident	108 Å²	108	79 Å²	79	55%	0.554	40%	0.395	S	S	*	.	S	Bend	trans	-87.5	-33.5	176.9	-54	172.5	0	0	0	110.6	C112 P116	C112-I114 PolarHBondContact O-N 3.06Å; I114-P116 WeakPolarHBondContact O-CD 3.38Å
115	H	79.1	Confident	72.3	Confident	43 Å²	43	78.5 Å²	78.5	20%	0.199	40%	0.399	C	S	.	.			trans	-124.7	81.2	-177.6	-48.7	107.4	0	0	0	109.4	C112 S117 Q118 C131 E133 C134	C112-H115 HydrophobicContact CB-CB 4.05Å; C112-H115 WeakPolarHBondContact CB-O 3.23Å; C112-H115 CarbonylContact O-C 3.07Å; C112-H115 PolarHBondContact O-N 3.37Å; C112-H115 VanDerWaalsContact O-O 3.14Å; H115-S117 PolarHBondContact O-N 2.83Å; H115-Q118 HydrophobicContact CB-CB 3.99Å; H115-Q118 HydrophobicContact CB-CG 3.72Å; H115-Q118 PolarHBondContact O-N 3.47Å; H115-C131 PolarHBondContact ND1-SG 2.86Å; H115-C131 VanDerWaalsContact ND1-SG 3.41Å; H115-E133 HydrophobicContact CB-CB 4.38Å; H115-E133 IonicContact CD2-OE2 3.18Å; H115-E133 PolarHBondContact CD2-OE2 2.82Å; H115-E133 IonicContact CG-OE2 2.67Å; H115-E133 IonicContact NE2-OE2 3Å; H115-C134 PolarHBondContact CE1-SG 3.21Å; H115-C134 PolarHBondContact ND1-SG 2.82Å
116	P	75.8	Confident	74.1	Confident	94 Å²	94	70 Å²	70	61%	0.61	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.9	-172.3	-20.2	31.4	0	0	0	114.1	K111 C112 I114	K111-P116 WeakPolarHBondContact CD-O 3.49Å; C112-P116 WeakPolarHBondContact O-CA 3.49Å; I114-P116 WeakPolarHBondContact O-CD 3.38Å
117	S	78.5	Confident	75.6	Confident	79 Å²	79	67.6 Å²	67.6	55%	0.552	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-16.8	172.9	49.4	0	0	0	0	112.9	H115	H115-S117 PolarHBondContact O-N 2.83Å
118	Q	79.6	Confident	77	Confident	48 Å²	48	65.8 Å²	65.8	22%	0.224	36%	0.363	C	S	.	.	S	Bend	trans	-103.4	134.7	-167.7	-59.7	-61.4	-23.7	0	0	112.8	K111 C112 H115 C131 S132 E133	K111-Q118 WeakPolarHBondContact CA-O 3.46Å; K111-Q118 WeakPolarHBondContact CB-O 3.25Å; C112-Q118 PolarHBondContact N-O 3.29Å; H115-Q118 HydrophobicContact CB-CB 3.99Å; H115-Q118 HydrophobicContact CB-CG 3.72Å; H115-Q118 PolarHBondContact O-N 3.47Å; Q118-C131 HydrophobicContact CB-CB 3.58Å; Q118-S132 VanDerWaalsContact CD-OG 3.26Å; Q118-S132 PolarHBondContact OE1-OG 3.15Å; Q118-E133 HydrophobicContact CG-CB 4.22Å; Q118-E133 HydrophobicContact CG-CG 3.77Å; Q118-E133 PolarHBondContact NE2-OE1 3.26Å
119	E	78.7	Confident	78.4	Confident	125 Å²	125	64.1 Å²	64.1	58%	0.584	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	-74	146.3	176.2	-65.4	-176.6	172.7	0	0	111.5	C131	E119-C131 WeakPolarHBondContact O-CA 3.42Å; E119-C131 VanDerWaalsContact O-CB 3.26Å; E119-C131 WeakPolarHBondContact O-CB 3.45Å
120	L	83.5	Confident	79.6	Confident	25 Å²	25	63.8 Å²	63.8	13%	0.131	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.6	174.3	-69	178.8	0	0	0	110.7	V109 P110 C112 V129 F130 C131 F180	V109-L120 HydrophobicContact CG1-CB 4.33Å; P110-L120 HydrophobicContact CB-CD1 4.14Å; P110-L120 HydrophobicContact CG-CD1 4.18Å; P110-L120 WeakPolarHBondContact O-CD1 3.45Å; P110-L120 WeakPolarHBondContact O-CG 3.39Å; C112-L120 HydrophobicContact CB-CD2 4Å; L120-V129 HydrophobicContact CB-CG1 3.89Å; L120-V129 HydrophobicContact CD1-CG1 3.82Å; L120-V129 HydrophobicContact CD2-CG1 4Å; L120-V129 HydrophobicContact CG-CG1 4.11Å; L120-F130 CarbonylContact C-O 3.49Å; L120-F130 WeakPolarHBondContact CA-O 3.21Å; L120-C131 HydrophobicContact CD2-CB 4.36Å; L120-F180 HydrophobicContact CB-CB 4.18Å; L120-F180 HydrophobicContact CB-CG 4.45Å; L120-F180 VanDerWaalsContact O-CB 3.27Å; L120-F180 WeakPolarHBondContact O-CB 3.04Å; L120-F180 PolarHBondContact O-N 2.97Å
121	L	84.1	Confident	80.4	Confident	45 Å²	45	62.7 Å²	62.7	24%	0.236	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	151.5	174.3	-60.2	170.1	0	0	0	107.5	V129 F130 V177	L121-V129 WeakPolarHBondContact O-CA 3.4Å; L121-F130 HydrophobicContact CB-CD2 4.5Å; L121-F130 HydrophobicContact CB-CE1 4.18Å; L121-F130 HydrophobicContact CB-CE2 4.11Å; L121-F130 HydrophobicContact CB-CZ 3.94Å; L121-F130 HydrophobicContact CD1-CE2 3.99Å; L121-F130 HydrophobicContact CD1-CZ 4.41Å; L121-F130 PolarHBondContact N-O 2.76Å; L121-F130 PolarHBondContact O-N 3.33Å; L121-V177 HydrophobicContact CB-CG1 3.75Å; L121-V177 HydrophobicContact CD1-CG1 4.34Å; L121-V177 HydrophobicContact CG-CG1 4.43Å
122	F	84.3	Confident	80.8	Confident	30 Å²	30	60.2 Å²	60.2	13%	0.132	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.9	175	178.3	-111.2	0	0	0	109	E124 D127 V129 V177 I178 F180 A183	F122-E124 HydrophobicContact CD1-CG 3.92Å; F122-E124 HydrophobicContact CE1-CB 4.31Å; F122-E124 HydrophobicContact CE1-CG 3.84Å; F122-D127 VanDerWaalsContact CE2-OD1 3.3Å; F122-D127 WeakPolarHBondContact CE2-OD1 3.47Å; F122-D127 WeakPolarHBondContact CZ-OD1 3.38Å; F122-V129 HydrophobicContact CD2-CG2 3.82Å; F122-V177 CarbonylContact O-C 3.54Å; F122-V177 WeakPolarHBondContact O-CA 3.31Å; F122-I178 HydrophobicContact CB-CG1 4.4Å; F122-I178 HydrophobicContact CD1-CD1 4.43Å; F122-I178 HydrophobicContact CD1-CG1 4.23Å; F122-I178 PolarHBondContact N-O 2.79Å; F122-I178 PolarHBondContact O-N 3.15Å; F122-F180 HydrophobicContact CB-CD2 4.27Å; F122-A183 HydrophobicContact CB-CB 4.08Å; F122-A183 HydrophobicContact CD1-CB 3.81Å; F122-A183 HydrophobicContact CG-CB 4.14Å
123	C	82.5	Confident	80.7	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.4	170.7	179.6	0	0	0	0	108	T125 C126 D127 M128 F130 N176 V177	C123-T125 PolarHBondContact O-N 2.82Å; C123-T125 PolarHBondContact SG-N 3.1Å; C123-C126 HydrophobicContact CB-CB 4.09Å; C123-C126 PolarHBondContact O-N 2.81Å; C123-C126 PolarHBondContact SG-N 2.9Å; C123-D127 WeakPolarHBondContact O-CA 3.32Å; C123-D127 PolarHBondContact O-N 2.82Å; C123-M128 PolarHBondContact N-O 3.14Å; C123-M128 PolarHBondContact O-N 3.05Å; C123-F130 HydrophobicContact CB-CD1 4.46Å; C123-F130 HydrophobicContact CB-CE1 3.61Å; C123-F130 HydrophobicContact CB-CZ 4.37Å; C123-N176 CarbonylContact C-O 3.57Å; C123-N176 WeakPolarHBondContact CA-O 3.23Å; C123-N176 PolarHBondContact SG-O 3.23Å; C123-V177 HydrophobicContact CB-CG2 4.02Å
124	E	82	Confident	80.7	Confident	81 Å²	81	61.4 Å²	61.4	38%	0.379	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.8	175.9	-64.9	-177.1	154.3	0	0	111.4	F122 N176 I178 R186	F122-E124 HydrophobicContact CD1-CG 3.92Å; F122-E124 HydrophobicContact CE1-CB 4.31Å; F122-E124 HydrophobicContact CE1-CG 3.84Å; E124-N176 PolarHBondContact N-O 2.83Å; E124-N176 PolarHBondContact OE2-ND2 2.86Å; E124-I178 HydrophobicContact CG-CD1 4.14Å; E124-I178 HydrophobicContact CG-CG1 4.17Å; E124-I178 VanDerWaalsContact OE1-CD1 3.32Å; E124-I178 WeakPolarHBondContact OE1-CD1 3.46Å; E124-R186 IonicContact OE1-NH1 3.41Å
125	T	81.6	Confident	80.2	Confident	88 Å²	88	64.3 Å²	64.3	54%	0.54	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-34	179.4	-43.4	0	0	0	0	113	C123 N176	C123-T125 PolarHBondContact O-N 2.82Å; C123-T125 PolarHBondContact SG-N 3.1Å; T125-N176 PolarHBondContact OG1-N 2.93Å
126	C	77.9	Confident	79.1	Confident	44 Å²	44	65.1 Å²	65.1	30%	0.297	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-7.3	-178	-68.3	0	0	0	0	113.6	C123 M128 H175	C123-C126 HydrophobicContact CB-CB 4.09Å; C123-C126 PolarHBondContact O-N 2.81Å; C123-C126 PolarHBondContact SG-N 2.9Å; C126-M128 HydrophobicContact CB-CB 4.07Å; C126-M128 HydrophobicContact CB-CG 4.25Å; C126-M128 WeakPolarHBondContact O-CG 3.31Å; C126-M128 PolarHBondContact O-N 3.42Å; C126-H175 PolarHBondContact SG-CE1 3.37Å; C126-H175 PolarHBondContact SG-ND1 2.83Å
127	D	83.7	Confident	78.1	Confident	128 Å²	128	69.9 Å²	69.9	68%	0.684	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	44.3	-168.7	-163.4	23	0	0	0	112.3	F122 C123	F122-D127 VanDerWaalsContact CE2-OD1 3.3Å; F122-D127 WeakPolarHBondContact CE2-OD1 3.47Å; F122-D127 WeakPolarHBondContact CZ-OD1 3.38Å; C123-D127 WeakPolarHBondContact O-CA 3.32Å; C123-D127 PolarHBondContact O-N 2.82Å
128	M	81.1	Confident	76.9	Confident	81 Å²	81	71.3 Å²	71.3	40%	0.399	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.6	-174.5	-81.3	-169.1	63.2	0	0	111.9	C123 C126 N138	C123-M128 PolarHBondContact N-O 3.14Å; C123-M128 PolarHBondContact O-N 3.05Å; C126-M128 HydrophobicContact CB-CB 4.07Å; C126-M128 HydrophobicContact CB-CG 4.25Å; C126-M128 WeakPolarHBondContact O-CG 3.31Å; C126-M128 PolarHBondContact O-N 3.42Å; M128-N138 HydrophobicContact CE-CB 4.29Å
129	V	82.8	Confident	75.9	Confident	64 Å²	64	72.5 Å²	72.5	39%	0.388	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131	173	-176.1	0	0	0	0	109.3	L120 L121 F122 F180	L120-V129 HydrophobicContact CB-CG1 3.89Å; L120-V129 HydrophobicContact CD1-CG1 3.82Å; L120-V129 HydrophobicContact CD2-CG1 4Å; L120-V129 HydrophobicContact CG-CG1 4.11Å; L121-V129 WeakPolarHBondContact O-CA 3.4Å; F122-V129 HydrophobicContact CD2-CG2 3.82Å; V129-F180 HydrophobicContact CG1-CD2 4.08Å; V129-F180 HydrophobicContact CG1-CE2 4.21Å; V129-F180 HydrophobicContact CG2-CD2 3.91Å; V129-F180 HydrophobicContact CG2-CE2 3.57Å
130	F	82.2	Confident	74.5	Confident	22 Å²	22	69.9 Å²	69.9	10%	0.096	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	171.7	-177.8	62.7	-77.3	0	0	0	110.4	L120 L121 C123 V177	L120-F130 CarbonylContact C-O 3.49Å; L120-F130 WeakPolarHBondContact CA-O 3.21Å; L121-F130 HydrophobicContact CB-CD2 4.5Å; L121-F130 HydrophobicContact CB-CE1 4.18Å; L121-F130 HydrophobicContact CB-CE2 4.11Å; L121-F130 HydrophobicContact CB-CZ 3.94Å; L121-F130 HydrophobicContact CD1-CE2 3.99Å; L121-F130 HydrophobicContact CD1-CZ 4.41Å; L121-F130 PolarHBondContact N-O 2.76Å; L121-F130 PolarHBondContact O-N 3.33Å; C123-F130 HydrophobicContact CB-CD1 4.46Å; C123-F130 HydrophobicContact CB-CE1 3.61Å; C123-F130 HydrophobicContact CB-CZ 4.37Å; F130-V177 HydrophobicContact CE1-CG1 4.11Å; F130-V177 HydrophobicContact CE1-CG2 4.44Å; F130-V177 HydrophobicContact CZ-CB 4.42Å; F130-V177 HydrophobicContact CZ-CG1 3.57Å; F130-V177 HydrophobicContact CZ-CG2 3.89Å
131	C	84.8	Confident	72.7	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	167	165.1	73.2	0	0	0	0	111.5	C112 H115 Q118 E119 L120 E133 C134 R135	C112-C131 HydrophobicContact CB-CB 3.66Å; C112-C131 WeakPolarHBondContact CB-SG 3.26Å; H115-C131 PolarHBondContact ND1-SG 2.86Å; H115-C131 VanDerWaalsContact ND1-SG 3.41Å; Q118-C131 HydrophobicContact CB-CB 3.58Å; E119-C131 WeakPolarHBondContact O-CA 3.42Å; E119-C131 VanDerWaalsContact O-CB 3.26Å; E119-C131 WeakPolarHBondContact O-CB 3.45Å; L120-C131 HydrophobicContact CD2-CB 4.36Å; C131-E133 PolarHBondContact O-N 2.73Å; C131-E133 VanDerWaalsContact O-N 3.13Å; C131-C134 PolarHBondContact O-N 2.78Å; C131-C134 PolarHBondContact SG-N 2.79Å; C131-C134 VanDerWaalsContact SG-N 3.37Å; C131-C134 VanDerWaalsContact SG-SG 3.69Å; C131-R135 PolarHBondContact O-N 2.46Å
132	S	80.3	Confident	71	Confident	58 Å²	58	81 Å²	81	41%	0.406	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47	-39.6	176.7	53.3	0	0	0	0	113.7	Q118 R135	Q118-S132 VanDerWaalsContact CD-OG 3.26Å; Q118-S132 PolarHBondContact OE1-OG 3.15Å; S132-R135 VanDerWaalsContact O-CB 3.23Å; S132-R135 WeakPolarHBondContact O-CB 3.43Å
133	E	76.5	Confident	68.9	Low	102 Å²	102	85.3 Å²	85.3	48%	0.477	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-33.7	179.6	-70.8	-176	-158.3	0	0	113.4	H115 Q118 C131 R135	H115-E133 HydrophobicContact CB-CB 4.38Å; H115-E133 IonicContact CD2-OE2 3.18Å; H115-E133 PolarHBondContact CD2-OE2 2.82Å; H115-E133 IonicContact CG-OE2 2.67Å; H115-E133 IonicContact NE2-OE2 3Å; Q118-E133 HydrophobicContact CG-CB 4.22Å; Q118-E133 HydrophobicContact CG-CG 3.77Å; Q118-E133 PolarHBondContact NE2-OE1 3.26Å; C131-E133 PolarHBondContact O-N 2.73Å; C131-E133 VanDerWaalsContact O-N 3.13Å; E133-R135 PolarHBondContact O-N 3.14Å
134	C	76.4	Confident	66.8	Low	24 Å²	24	93.9 Å²	93.9	16%	0.162	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.5	174.9	-78.5	0	0	0	0	113.4	C112 H115 C131 G136 R137	C112-C134 PolarHBondContact SG-SG 2.77Å; H115-C134 PolarHBondContact CE1-SG 3.21Å; H115-C134 PolarHBondContact ND1-SG 2.82Å; C131-C134 PolarHBondContact O-N 2.78Å; C131-C134 PolarHBondContact SG-N 2.79Å; C131-C134 VanDerWaalsContact SG-N 3.37Å; C131-C134 VanDerWaalsContact SG-SG 3.69Å; C134-G136 PolarHBondContact O-N 2.85Å; C134-R137 PolarHBondContact O-N 2.86Å
135	R	67.9	Low	64.8	Low	170 Å²	170	97.6 Å²	97.6	64%	0.642	51%	0.511	S	S	*	.	H	α-helix	trans	-49.7	-35.8	-176.1	-169	179.1	-179.2	-176.5	0.2	112.8	C131 S132 E133	C131-R135 PolarHBondContact O-N 2.46Å; S132-R135 VanDerWaalsContact O-CB 3.23Å; S132-R135 WeakPolarHBondContact O-CB 3.43Å; E133-R135 PolarHBondContact O-N 3.14Å
136	G	57.6	Low	62.5	Low	60 Å²	60	101 Å²	101	62%	0.619	53%	0.526	S	S	*	.	H	α-helix	trans	-75.4	-18.7	-174.4	0	0	0	0	0	116.4	C134	C134-G136 PolarHBondContact O-N 2.85Å
137	R	53.5	Low	60.3	Low	193 Å²	193	106.8 Å²	106.8	73%	0.728	55%	0.554	S	S	*	*	H	α-helix	trans	-90.6	-31.1	-175.5	-75	-171.9	-175.5	-179.9	3.1	114.5	C134 I141	C134-R137 PolarHBondContact O-N 2.86Å; R137-I141 VanDerWaalsContact O-CD1 3.27Å; R137-I141 WeakPolarHBondContact O-CD1 3.36Å
138	N	53.5	Low	57.8	Low	109 Å²	109	105.8 Å²	105.8	58%	0.583	56%	0.557	S	S	*	*	H	α-helix	trans	-111.9	-17.9	-170.6	-66.9	-14.6	0	0	0	114.2	M128	M128-N138 HydrophobicContact CE-CB 4.29Å
139	H	58.6	Low	55.3	Low	73 Å²	73	107.4 Å²	107.4	34%	0.338	58%	0.576	S	S	.	*	S	Bend	trans	-86	-18	175.3	-83.5	-60.3	0	0	0	114.4	H175	H139-H175 AromaticContact CE1-CE1 3.92Å; H139-H175 AromaticContact CE1-ND1 3.73Å
140	A	50.8	Low	52.6	Low	71 Å²	71	110.4 Å²	110.4	59%	0.587	60%	0.599	S	S	*	*	S	Bend	trans	-89.5	-21.6	-176.1	0	0	0	0	0	114.5	Q142	A140-Q142 VanDerWaalsContact C-N 3.34Å; A140-Q142 PolarHBondContact O-N 2.82Å
141	I	45.3	Very low	50.1	Low	124 Å²	124	117.3 Å²	117.3	64%	0.636	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-82	-8.7	-167.5	-60.9	178.3	0	0	0	113.2	R137 N143	R137-I141 VanDerWaalsContact O-CD1 3.27Å; R137-I141 WeakPolarHBondContact O-CD1 3.36Å; I141-N143 VanDerWaalsContact C-N 3.29Å; I141-N143 PolarHBondContact O-N 2.98Å
142	Q	47.9	Very low	47.8	Very low	178 Å²	178	122.9 Å²	122.9	83%	0.832	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-77.7	-1.2	178.7	-84.5	-174.8	-9.8	0	0	115.7	A140	A140-Q142 VanDerWaalsContact C-N 3.34Å; A140-Q142 PolarHBondContact O-N 2.82Å
143	N	40.2	Very low	45.4	Very low	122 Å²	122	127.2 Å²	127.2	65%	0.652	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-101.4	-3.8	-173.1	-91.1	2.1	0	0	0	118.6	I141	I141-N143 VanDerWaalsContact C-N 3.29Å; I141-N143 PolarHBondContact O-N 2.98Å
144	H	37.9	Very low	43	Very low	180 Å²	180	129.2 Å²	129.2	83%	0.833	71%	0.709	S	S	*	*			trans	-142.9	47.2	-179.4	-73.4	-66.9	0	0	0	116.1	N146	H144-N146 VanDerWaalsContact C-N 3.32Å; H144-N146 PolarHBondContact O-N 2.93Å
145	L	41.2	Very low	40.9	Very low	159 Å²	159	135.6 Å²	135.6	83%	0.832	74%	0.742	S	S	*	*			trans	-91.4	69.3	160.6	-78.7	161.1	0	0	0	109.7
146	N	33.1	Very low	38.9	Very low	159 Å²	159	131.1 Å²	131.1	85%	0.85	75%	0.749	S	S	*	*			trans	-171	70.3	159.6	-92.9	-12.5	0	0	0	108.8	H144	H144-N146 VanDerWaalsContact C-N 3.32Å; H144-N146 PolarHBondContact O-N 2.93Å
147	D	31.7	Very low	37.5	Very low	165 Å²	165	135.5 Å²	135.5	88%	0.882	76%	0.758	S	S	*	*			trans	-170.1	136.6	136.6	-118.2	-27.9	0	0	0	112.1
148	S	30.7	Very low	36.3	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	76%	0.762	S	S	*	*			trans	-95.8	151.2	-177.8	-65.7	0	0	0	0	110.9
149	S	28.1	Very low	35.1	Very low	116 Å²	116	136.4 Å²	136.4	81%	0.811	77%	0.772	S	S	*	*			trans	82.4	113.8	-174.2	79.7	0	0	0	0	112.3
150	C	27	Very low	33.6	Very low	127 Å²	127	140.5 Å²	140.5	86%	0.858	79%	0.794	S	S	*	*				-158.4	152.6	74.8	-56.7	0	0	0	0	111.5
151	L	29.3	Very low	32.5	Very low	166 Å²	166	143.3 Å²	143.3	87%	0.869	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.1	166.3	-178.2	-79	161.7	0	0	0	114.7
152	P	37.2	Very low	31.6	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-90.1	132.7	-156	34.3	-31.6	0	0	0	113
153	V	28.5	Very low	30.5	Very low	149 Å²	149	144.5 Å²	144.5	90%	0.903	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-101.6	124.8	170	-179.5	0	0	0	0	109.4
154	N	27.6	Very low	29.9	Very low	143 Å²	143	145.6 Å²	145.6	77%	0.765	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-83	155.3	-174.6	-153.6	-0.7	0	0	0	111.4
155	N	30.5	Very low	29.3	Very low	158 Å²	158	145 Å²	145	85%	0.845	83%	0.826	S	S	*	*			trans	-35.5	142.3	179.5	-75.5	-34.2	0	0	0	117.5
156	G	26.8	Very low	28.7	Very low	76 Å²	76	142.8 Å²	142.8	78%	0.784	82%	0.823	S	S	*	*			trans	175.8	73.5	164.7	0	0	0	0	0	114.7
157	N	28.5	Very low	28.4	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	82%	0.819	S	S	*	*			trans	7.1	126.2	147.1	-77.3	-9.4	0	0	0	120.1
158	Q	28.7	Very low	28.3	Very low	175 Å²	175	137.9 Å²	137.9	82%	0.818	82%	0.815	S	S	*	*				140.2	112.7	120.9	-90.5	167	29.4	0	0	114.3
159	D	27.5	Very low	28.5	Very low	145 Å²	145	138.5 Å²	138.5	78%	0.775	82%	0.819	S	S	*	*			trans	27.5	118.4	137.6	-59.6	-37.3	0	0	0	119.5
160	I	27.8	Very low	29	Very low	159 Å²	159	141.2 Å²	141.2	82%	0.815	82%	0.824	S	S	*	*				-172.5	129.1	106.6	-88.7	154	0	0	0	109.1
161	T	26.6	Very low	29.8	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	82%	0.823	S	S	*	*			trans	-51.2	131	170.8	25	0	0	0	0	113.6
162	T	25.9	Very low	30.7	Very low	142 Å²	142	137.2 Å²	137.2	87%	0.871	82%	0.818	S	S	*	*			trans	-155.6	133.4	138	9.1	0	0	0	0	110
163	Q	25.4	Very low	31.5	Very low	185 Å²	185	138.8 Å²	138.8	86%	0.864	82%	0.819	S	S	*	*			trans	-68.4	133.5	-172.8	-63.7	164.7	-24.8	0	0	111
164	V	27.3	Very low	33.3	Very low	145 Å²	145	139.6 Å²	139.6	88%	0.879	82%	0.818	S	S	*	*			trans	-133.2	116.6	149.9	-178.9	0	0	0	0	107.2
165	E	26.9	Very low	35.8	Very low	168 Å²	168	136.1 Å²	136.1	79%	0.785	80%	0.797	S	S	*	*			trans	-77.3	154	173.4	-67.2	178	146.5	0	0	111.2
166	S	27.1	Very low	38.4	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	78%	0.779	S	S	*	*			trans	107.7	106.6	145.7	71.8	0	0	0	0	120.5
167	S	27.7	Very low	41.1	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	76%	0.758	S	S	*	*			trans	86	108.2	132.7	58.8	0	0	0	0	122.3
168	S	29.2	Very low	43.8	Very low	114 Å²	114	125.9 Å²	125.9	80%	0.797	73%	0.726	S	S	*	*				161.7	136.2	101.7	50	0	0	0	0	117.2
169	S	34.5	Very low	46.4	Very low	119 Å²	119	120.3 Å²	120.3	83%	0.832	70%	0.704	S	S	*	*			trans	77.7	115.1	156.5	70.8	0	0	0	0	123.3
170	N	39.4	Very low	49.1	Very low	173 Å²	173	115.7 Å²	115.7	93%	0.925	68%	0.677	S	S	*	*			trans	-147.2	103.5	170.5	-126.3	-1.9	0	0	0	109.8
171	T	44.2	Very low	51.5	Low	137 Å²	137	111.4 Å²	111.4	84%	0.84	66%	0.656	S	S	*	*			trans	-99.7	111.5	177.1	47.3	0	0	0	0	110.5
172	G	46.7	Very low	54.2	Low	73 Å²	73	107.7 Å²	107.7	75%	0.753	63%	0.633	S	S	*	*			trans	-101	125.4	-178	0	0	0	0	0	113.7
173	L	54.4	Low	57	Low	150 Å²	150	101.3 Å²	101.3	79%	0.785	59%	0.594	S	S	*	*			trans	-72.9	138.2	171.3	-75.4	145.2	0	0	0	111	H175	L173-H175 PolarHBondContact O-CD2 2.74Å
174	N	67.3	Low	59.7	Low	166 Å²	166	96 Å²	96	89%	0.888	57%	0.571	S	S	*	*			trans	-92.4	104.4	-177.4	-75.7	-21.8	0	0	0	111.6
175	H	80.1	Confident	62.2	Low	71 Å²	71	95.7 Å²	95.7	33%	0.329	56%	0.558	S	S	.	*			trans	-88.8	140.3	178.7	-72.8	-116.4	0	0	0	112	C126 H139 L173 V177	C126-H175 PolarHBondContact SG-CE1 3.37Å; C126-H175 PolarHBondContact SG-ND1 2.83Å; H139-H175 AromaticContact CE1-CE1 3.92Å; H139-H175 AromaticContact CE1-ND1 3.73Å; L173-H175 PolarHBondContact O-CD2 2.74Å; H175-V177 HydrophobicContact CB-CG2 4.42Å
176	N	85	Confident	65.1	Low	87 Å²	87	93.8 Å²	93.8	47%	0.465	54%	0.544	S	S	.	.			trans	-83.6	118.7	174.6	-165	25.3	0	0	0	110.3	C123 E124 T125	C123-N176 CarbonylContact C-O 3.57Å; C123-N176 WeakPolarHBondContact CA-O 3.23Å; C123-N176 PolarHBondContact SG-O 3.23Å; E124-N176 PolarHBondContact N-O 2.83Å; E124-N176 PolarHBondContact OE2-ND2 2.86Å; T125-N176 PolarHBondContact OG1-N 2.93Å
177	V	84	Confident	67.8	Low	57 Å²	57	92 Å²	92	35%	0.345	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.6	-173.7	-177.8	0	0	0	0	109.3	L121 F122 C123 F130 H175	L121-V177 HydrophobicContact CB-CG1 3.75Å; L121-V177 HydrophobicContact CD1-CG1 4.34Å; L121-V177 HydrophobicContact CG-CG1 4.43Å; F122-V177 CarbonylContact O-C 3.54Å; F122-V177 WeakPolarHBondContact O-CA 3.31Å; C123-V177 HydrophobicContact CB-CG2 4.02Å; F130-V177 HydrophobicContact CE1-CG1 4.11Å; F130-V177 HydrophobicContact CE1-CG2 4.44Å; F130-V177 HydrophobicContact CZ-CB 4.42Å; F130-V177 HydrophobicContact CZ-CG1 3.57Å; F130-V177 HydrophobicContact CZ-CG2 3.89Å; H175-V177 HydrophobicContact CB-CG2 4.42Å
178	I	84.3	Confident	70.5	Confident	27 Å²	27	89.5 Å²	89.5	14%	0.138	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	166.5	176.5	60.2	169.5	0	0	0	110.8	F122 E124 V182 A183	F122-I178 HydrophobicContact CB-CG1 4.4Å; F122-I178 HydrophobicContact CD1-CD1 4.43Å; F122-I178 HydrophobicContact CD1-CG1 4.23Å; F122-I178 PolarHBondContact N-O 2.79Å; F122-I178 PolarHBondContact O-N 3.15Å; E124-I178 HydrophobicContact CG-CD1 4.14Å; E124-I178 HydrophobicContact CG-CG1 4.17Å; E124-I178 VanDerWaalsContact OE1-CD1 3.32Å; E124-I178 WeakPolarHBondContact OE1-CD1 3.46Å; I178-V182 HydrophobicContact CD1-CG1 4.33Å; I178-A183 HydrophobicContact CD1-CB 3.58Å; I178-A183 HydrophobicContact CG1-CB 4.14Å
179	T	84	Confident	73.4	Confident	59 Å²	59	89.6 Å²	89.6	36%	0.362	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.5	171	56.7	0	0	0	0	109.9	N181 V182 A183	T179-N181 WeakPolarHBondContact CB-OD1 3.3Å; T179-N181 PolarHBondContact O-N 3.29Å; T179-N181 PolarHBondContact OG1-OD1 2.97Å; T179-V182 PolarHBondContact O-N 3.21Å; T179-V182 VanDerWaalsContact OG1-CG2 3.32Å; T179-V182 WeakPolarHBondContact OG1-CG2 3.21Å; T179-A183 PolarHBondContact O-N 2.78Å
180	F	83.1	Confident	76	Confident	48 Å²	48	88.7 Å²	88.7	21%	0.211	49%	0.486	C	S	.	.	H	α-helix	trans	-61.3	-29.9	-173.5	-174.4	-111.5	0	0	0	113.6	V109 P110 L120 F122 V129 A183 L184	V109-F180 HydrophobicContact CG1-CB 4.05Å; V109-F180 HydrophobicContact CG1-CD1 4.18Å; P110-F180 HydrophobicContact CG-CD1 4.46Å; P110-F180 HydrophobicContact CG-CE1 4.12Å; L120-F180 HydrophobicContact CB-CB 4.18Å; L120-F180 HydrophobicContact CB-CG 4.45Å; L120-F180 VanDerWaalsContact O-CB 3.27Å; L120-F180 WeakPolarHBondContact O-CB 3.04Å; L120-F180 PolarHBondContact O-N 2.97Å; F122-F180 HydrophobicContact CB-CD2 4.27Å; V129-F180 HydrophobicContact CG1-CD2 4.08Å; V129-F180 HydrophobicContact CG1-CE2 4.21Å; V129-F180 HydrophobicContact CG2-CD2 3.91Å; V129-F180 HydrophobicContact CG2-CE2 3.57Å; F180-A183 WeakPolarHBondContact O-CB 3.14Å; F180-A183 PolarHBondContact O-N 3.31Å; F180-L184 PolarHBondContact O-N 3.4Å
181	N	78.8	Confident	78.4	Confident	68 Å²	68	85.6 Å²	85.6	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-42.2	176.1	63.4	-20	0	0	0	113.5	V109 T179 A183 L184 K185	V109-N181 HydrophobicContact CG2-CB 3.9Å; T179-N181 WeakPolarHBondContact CB-OD1 3.3Å; T179-N181 PolarHBondContact O-N 3.29Å; T179-N181 PolarHBondContact OG1-OD1 2.97Å; N181-A183 VanDerWaalsContact C-N 3.29Å; N181-L184 PolarHBondContact O-N 3.38Å; N181-K185 PolarHBondContact O-N 2.89Å
182	V	84	Confident	80.7	Confident	54 Å²	54	84.2 Å²	84.2	33%	0.327	45%	0.454	S	S	.	.	H	α-helix	trans	-65.4	-40	176.8	172.9	0	0	0	0	109.3	I178 T179 R186	I178-V182 HydrophobicContact CD1-CG1 4.33Å; T179-V182 PolarHBondContact O-N 3.21Å; T179-V182 VanDerWaalsContact OG1-CG2 3.32Å; T179-V182 WeakPolarHBondContact OG1-CG2 3.21Å; V182-R186 HydrophobicContact CG1-CG 4.44Å; V182-R186 WeakPolarHBondContact O-CB 3.2Å; V182-R186 WeakPolarHBondContact O-CG 3.38Å; V182-R186 PolarHBondContact O-N 3.31Å; V182-R186 VanDerWaalsContact O-N 3.08Å
183	A	83.1	Confident	82.9	Confident	7 Å²	7	88 Å²	88	6%	0.058	45%	0.447	C	S	.	.	H	α-helix	trans	-57.4	-52.4	173.5	0	0	0	0	0	110.3	F122 I178 T179 F180 N181 K185 R186 C187	F122-A183 HydrophobicContact CB-CB 4.08Å; F122-A183 HydrophobicContact CD1-CB 3.81Å; F122-A183 HydrophobicContact CG-CB 4.14Å; I178-A183 HydrophobicContact CD1-CB 3.58Å; I178-A183 HydrophobicContact CG1-CB 4.14Å; T179-A183 PolarHBondContact O-N 2.78Å; F180-A183 WeakPolarHBondContact O-CB 3.14Å; F180-A183 PolarHBondContact O-N 3.31Å; N181-A183 VanDerWaalsContact C-N 3.29Å; A183-K185 PolarHBondContact O-N 2.79Å; A183-R186 PolarHBondContact O-N 3.31Å; A183-C187 WeakPolarHBondContact O-CB 3.28Å; A183-C187 PolarHBondContact O-N 2.91Å; A183-C187 PolarHBondContact O-SG 3.38Å
184	L	81.8	Confident	84.8	Confident	73 Å²	73	86.9 Å²	86.9	38%	0.382	44%	0.436	S	S	.	.	H	α-helix	trans	-59.2	-47.2	-177.2	-163.6	71.7	0	0	0	112.8	M15 F180 N181 C187 S188	M15-L184 HydrophobicContact CE-CD2 3.85Å; F180-L184 PolarHBondContact O-N 3.4Å; N181-L184 PolarHBondContact O-N 3.38Å; L184-C187 PolarHBondContact O-N 3.2Å; L184-S188 PolarHBondContact O-N 3.19Å; L184-S188 PolarHBondContact O-OG 3.35Å
185	K	81.2	Confident	86.1	Confident	140 Å²	140	84.3 Å²	84.3	61%	0.609	42%	0.42	S	S	*	.	H	α-helix	trans	-62	-47.7	178.5	-178.8	174.9	177.5	177.3	0	112	N181 A183 C187 S188 E189	N181-K185 PolarHBondContact O-N 2.89Å; A183-K185 PolarHBondContact O-N 2.79Å; K185-C187 VanDerWaalsContact C-N 3.32Å; K185-C187 PolarHBondContact O-N 2.96Å; K185-S188 PolarHBondContact O-N 3.18Å; K185-E189 WeakPolarHBondContact CE-OE1 3.29Å; K185-E189 PolarHBondContact O-N 3.34Å; K185-E189 VanDerWaalsContact O-N 3.14Å
186	R	86.5	Confident	86.8	Confident	127 Å²	127	87.3 Å²	87.3	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-58.8	-45.5	177.1	-76	178.5	173.1	179.8	-1.6	110.8	E124 V182 A183 S188 E189 I190	E124-R186 IonicContact OE1-NH1 3.41Å; V182-R186 HydrophobicContact CG1-CG 4.44Å; V182-R186 WeakPolarHBondContact O-CB 3.2Å; V182-R186 WeakPolarHBondContact O-CG 3.38Å; V182-R186 PolarHBondContact O-N 3.31Å; V182-R186 VanDerWaalsContact O-N 3.08Å; A183-R186 PolarHBondContact O-N 3.31Å; R186-S188 VanDerWaalsContact C-N 3.34Å; R186-S188 PolarHBondContact O-N 2.66Å; R186-E189 PolarHBondContact O-N 2.98Å; R186-I190 WeakPolarHBondContact O-CB 3.45Å; R186-I190 WeakPolarHBondContact O-CD1 3.47Å; R186-I190 WeakPolarHBondContact O-CG1 3.36Å; R186-I190 PolarHBondContact O-N 3.15Å
187	C	84.8	Confident	87.3	Confident	74 Å²	74	85.9 Å²	85.9	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-59	-42.7	178.1	-70.2	0	0	0	0	112.2	A183 L184 K185 M191	A183-C187 WeakPolarHBondContact O-CB 3.28Å; A183-C187 PolarHBondContact O-N 2.91Å; A183-C187 PolarHBondContact O-SG 3.38Å; L184-C187 PolarHBondContact O-N 3.2Å; K185-C187 VanDerWaalsContact C-N 3.32Å; K185-C187 PolarHBondContact O-N 2.96Å; C187-M191 WeakPolarHBondContact O-CB 3.41Å; C187-M191 PolarHBondContact O-N 3.11Å
188	S	84.3	Confident	87.8	Confident	56 Å²	56	86.5 Å²	86.5	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-66.3	-43.6	179.1	-63.7	0	0	0	0	113.7	L184 K185 R186 M191 L192	L184-S188 PolarHBondContact O-N 3.19Å; L184-S188 PolarHBondContact O-OG 3.35Å; K185-S188 PolarHBondContact O-N 3.18Å; R186-S188 VanDerWaalsContact C-N 3.34Å; R186-S188 PolarHBondContact O-N 2.66Å; S188-M191 WeakPolarHBondContact O-CB 3.2Å; S188-M191 PolarHBondContact O-N 3.32Å; S188-L192 PolarHBondContact O-N 3.05Å
189	E	89.2	Confident	88.4	Confident	115 Å²	115	88.8 Å²	88.8	54%	0.537	45%	0.447	S	S	.	.	H	α-helix	trans	-64.8	-42.7	176.7	-72	173.9	-171.7	0	0	111.3	K185 R186 M191 L192 Y193	K185-E189 WeakPolarHBondContact CE-OE1 3.29Å; K185-E189 PolarHBondContact O-N 3.34Å; K185-E189 VanDerWaalsContact O-N 3.14Å; R186-E189 PolarHBondContact O-N 2.98Å; E189-M191 VanDerWaalsContact C-N 3.29Å; E189-M191 PolarHBondContact O-N 3.19Å; E189-L192 PolarHBondContact O-N 3.29Å; E189-Y193 WeakPolarHBondContact O-CB 3.43Å; E189-Y193 PolarHBondContact O-N 3.44Å
190	I	90.6	Very high	88.9	Confident	101 Å²	101	90.9 Å²	90.9	52%	0.518	45%	0.453	S	S	.	.	H	α-helix	trans	-59.5	-43.3	174	-68.2	165.6	0	0	0	110.1	R186 Y193 K194	R186-I190 WeakPolarHBondContact O-CB 3.45Å; R186-I190 WeakPolarHBondContact O-CD1 3.47Å; R186-I190 WeakPolarHBondContact O-CG1 3.36Å; R186-I190 PolarHBondContact O-N 3.15Å; I190-Y193 PolarHBondContact O-N 2.91Å; I190-K194 HydrophobicContact CG2-CG 4.26Å; I190-K194 WeakPolarHBondContact O-CB 3.34Å; I190-K194 WeakPolarHBondContact O-CG 3.4Å; I190-K194 PolarHBondContact O-N 2.81Å
191	M	89.6	Confident	89.6	Confident	107 Å²	107	94.1 Å²	94.1	53%	0.527	47%	0.469	S	S	.	.	H	α-helix	trans	-59.4	-50.2	178.1	-177.4	-173.5	72.1	0	0	111.8	C187 S188 E189 Y193 K194 M195	C187-M191 WeakPolarHBondContact O-CB 3.41Å; C187-M191 PolarHBondContact O-N 3.11Å; S188-M191 WeakPolarHBondContact O-CB 3.2Å; S188-M191 PolarHBondContact O-N 3.32Å; E189-M191 VanDerWaalsContact C-N 3.29Å; E189-M191 PolarHBondContact O-N 3.19Å; M191-Y193 PolarHBondContact O-N 3.39Å; M191-K194 WeakPolarHBondContact O-CB 3.15Å; M191-K194 PolarHBondContact O-N 2.65Å; M191-M195 WeakPolarHBondContact O-CG 3.19Å; M191-M195 PolarHBondContact O-N 3.41Å
192	L	90.9	Very high	90.4	Very high	109 Å²	109	96.2 Å²	96.2	57%	0.571	48%	0.479	S	S	*	.	H	α-helix	trans	-63.4	-43	179.8	-71.8	174.3	0	0	0	112.5	S188 E189 K194 M195 H196	S188-L192 PolarHBondContact O-N 3.05Å; E189-L192 PolarHBondContact O-N 3.29Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 2.81Å; L192-M195 HydrophobicContact CD2-SD 4.4Å; L192-M195 PolarHBondContact O-N 3.33Å; L192-H196 PolarHBondContact O-N 3.33Å
193	Y	93.7	Very high	91	Very high	152 Å²	152	98 Å²	98	60%	0.596	49%	0.487	S	S	*	.	H	α-helix	trans	-58.1	-44.7	174	172.4	-102.5	0	0	0	111.2	E189 I190 M191 M195 H196 L197	E189-Y193 WeakPolarHBondContact O-CB 3.43Å; E189-Y193 PolarHBondContact O-N 3.44Å; I190-Y193 PolarHBondContact O-N 2.91Å; M191-Y193 PolarHBondContact O-N 3.39Å; Y193-M195 VanDerWaalsContact C-N 3.35Å; Y193-M195 PolarHBondContact O-N 2.86Å; Y193-H196 PolarHBondContact O-N 3.37Å; Y193-L197 HydrophobicContact CE1-CD2 4.43Å; Y193-L197 WeakPolarHBondContact O-CB 3.32Å; Y193-L197 PolarHBondContact O-N 2.86Å
194	K	95.2	Very high	91.7	Very high	126 Å²	126	101.3 Å²	101.3	55%	0.548	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-37.4	176.5	-71.6	-71.6	-176.6	-178.5	0	112.4	I190 M191 L192 C198	I190-K194 HydrophobicContact CG2-CG 4.26Å; I190-K194 WeakPolarHBondContact O-CB 3.34Å; I190-K194 WeakPolarHBondContact O-CG 3.4Å; I190-K194 PolarHBondContact O-N 2.81Å; M191-K194 WeakPolarHBondContact O-CB 3.15Å; M191-K194 PolarHBondContact O-N 2.65Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 2.81Å; K194-C198 WeakPolarHBondContact O-CB 3.3Å; K194-C198 PolarHBondContact O-N 3.28Å
195	M	94.4	Very high	92.3	Very high	112 Å²	112	100.2 Å²	100.2	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-63.8	-45.9	174.6	-71.2	178.5	70.9	0	0	112.3	M191 L192 Y193 C198 T199	M191-M195 WeakPolarHBondContact O-CG 3.19Å; M191-M195 PolarHBondContact O-N 3.41Å; L192-M195 HydrophobicContact CD2-SD 4.4Å; L192-M195 PolarHBondContact O-N 3.33Å; Y193-M195 VanDerWaalsContact C-N 3.35Å; Y193-M195 PolarHBondContact O-N 2.86Å; M195-C198 WeakPolarHBondContact O-CB 3.24Å; M195-C198 PolarHBondContact O-N 3.42Å; M195-T199 PolarHBondContact O-N 2.79Å; M195-T199 PolarHBondContact O-OG1 3.32Å
196	H	94	Very high	93.1	Very high	135 Å²	135	98 Å²	98	63%	0.625	50%	0.502	S	S	*	.	H	α-helix	trans	-65.6	-42.6	179.2	-171.6	70	0	0	0	112	L192 Y193 C198 T199 Q200	L192-H196 PolarHBondContact O-N 3.33Å; Y193-H196 PolarHBondContact O-N 3.37Å; H196-C198 VanDerWaalsContact C-N 3.26Å; H196-C198 PolarHBondContact O-N 2.97Å; H196-T199 PolarHBondContact O-N 3.45Å; H196-T199 VanDerWaalsContact O-N 3.15Å; H196-Q200 PolarHBondContact O-N 3.31Å
197	L	95.2	Very high	93.6	Very high	56 Å²	56	96.9 Å²	96.9	29%	0.293	50%	0.502	S	S	.	.	H	α-helix	trans	-56.6	-44	173.1	-174	63.3	0	0	0	110.5	Y193 T199 Q200 E201	Y193-L197 HydrophobicContact CE1-CD2 4.43Å; Y193-L197 WeakPolarHBondContact O-CB 3.32Å; Y193-L197 PolarHBondContact O-N 2.86Å; L197-T199 PolarHBondContact O-N 3.49Å; L197-Q200 PolarHBondContact O-N 3.26Å; L197-E201 WeakPolarHBondContact O-CG 3.19Å; L197-E201 PolarHBondContact O-N 3.19Å
198	C	95.4	Very high	94.1	Very high	71 Å²	71	96.4 Å²	96.4	48%	0.48	50%	0.503	S	S	.	.	H	α-helix	trans	-58.8	-43.7	175.9	-166.8	0	0	0	0	112.7	K194 M195 H196 E201 L202	K194-C198 WeakPolarHBondContact O-CB 3.3Å; K194-C198 PolarHBondContact O-N 3.28Å; M195-C198 WeakPolarHBondContact O-CB 3.24Å; M195-C198 PolarHBondContact O-N 3.42Å; H196-C198 VanDerWaalsContact C-N 3.26Å; H196-C198 PolarHBondContact O-N 2.97Å; C198-E201 PolarHBondContact O-N 3.44Å; C198-L202 VanDerWaalsContact O-CG 3.3Å; C198-L202 WeakPolarHBondContact O-CG 3.34Å; C198-L202 PolarHBondContact O-N 2.77Å
199	T	96.1	Very high	94.8	Very high	74 Å²	74	98.5 Å²	98.5	45%	0.454	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-40.1	178.3	-59.6	0	0	0	0	112.6	M195 H196 L197 L202 N203	M195-T199 PolarHBondContact O-N 2.79Å; M195-T199 PolarHBondContact O-OG1 3.32Å; H196-T199 PolarHBondContact O-N 3.45Å; H196-T199 VanDerWaalsContact O-N 3.15Å; L197-T199 PolarHBondContact O-N 3.49Å; T199-L202 PolarHBondContact O-N 3.01Å; T199-N203 PolarHBondContact O-N 3.48Å; T199-N203 PolarHBondContact O-ND2 3.49Å
200	Q	95.7	Very high	95.2	Very high	104 Å²	104	98 Å²	98	49%	0.486	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-46	176.3	-176.4	178.7	2.2	0	0	111.2	H196 L197 L202 N203 C204	H196-Q200 PolarHBondContact O-N 3.31Å; L197-Q200 PolarHBondContact O-N 3.26Å; Q200-L202 VanDerWaalsContact C-N 3.29Å; Q200-L202 PolarHBondContact O-N 2.78Å; Q200-N203 PolarHBondContact O-N 2.85Å; Q200-N203 VanDerWaalsContact O-N 3.15Å; Q200-C204 PolarHBondContact O-N 3.14Å
201	E	96.3	Very high	95.5	Very high	116 Å²	116	96.8 Å²	96.8	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-59.8	-39.8	175.8	-68.2	-57.6	139.2	0	0	111.6	L197 C198 N203 C204 A205	L197-E201 WeakPolarHBondContact O-CG 3.19Å; L197-E201 PolarHBondContact O-N 3.19Å; C198-E201 PolarHBondContact O-N 3.44Å; E201-N203 PolarHBondContact O-N 3.47Å; E201-C204 PolarHBondContact O-N 3.02Å; E201-A205 WeakPolarHBondContact O-CB 3.41Å; E201-A205 PolarHBondContact O-N 2.79Å
202	L	97	Very high	95.8	Very high	112 Å²	112	96.2 Å²	96.2	59%	0.586	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-38.1	175.1	-71.9	171.2	0	0	0	113	C198 T199 Q200 A205 Q206	C198-L202 VanDerWaalsContact O-CG 3.3Å; C198-L202 WeakPolarHBondContact O-CG 3.34Å; C198-L202 PolarHBondContact O-N 2.77Å; T199-L202 PolarHBondContact O-N 3.01Å; Q200-L202 VanDerWaalsContact C-N 3.29Å; Q200-L202 PolarHBondContact O-N 2.78Å; L202-A205 WeakPolarHBondContact O-CB 3.48Å; L202-A205 PolarHBondContact O-N 2.94Å; L202-Q206 PolarHBondContact O-N 3.34Å
203	N	96.5	Very high	96.2	Very high	92 Å²	92	96.2 Å²	96.2	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-42.3	175.6	-74.1	-31.9	0	0	0	112.1	T199 Q200 E201 A205 Q206 E207	T199-N203 PolarHBondContact O-N 3.48Å; T199-N203 PolarHBondContact O-ND2 3.49Å; Q200-N203 PolarHBondContact O-N 2.85Å; Q200-N203 VanDerWaalsContact O-N 3.15Å; E201-N203 PolarHBondContact O-N 3.47Å; N203-A205 VanDerWaalsContact C-N 3.28Å; N203-A205 PolarHBondContact O-N 2.9Å; N203-Q206 WeakPolarHBondContact O-CB 3.34Å; N203-Q206 PolarHBondContact O-N 3.35Å; N203-E207 PolarHBondContact O-N 3.33Å; N203-E207 VanDerWaalsContact O-N 3.14Å
204	C	96.4	Very high	96.3	Very high	75 Å²	75	95.1 Å²	95.1	51%	0.507	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-41.5	172.9	-70.8	0	0	0	0	111.1	Q200 E201 Q206 E207 A208	Q200-C204 PolarHBondContact O-N 3.14Å; E201-C204 PolarHBondContact O-N 3.02Å; C204-Q206 VanDerWaalsContact C-N 3.35Å; C204-Q206 PolarHBondContact O-N 3.24Å; C204-E207 PolarHBondContact O-N 3.05Å; C204-A208 WeakPolarHBondContact O-CB 3.41Å; C204-A208 PolarHBondContact O-N 2.96Å; C204-A208 VanDerWaalsContact O-N 3.08Å
205	A	95.9	Very high	96.4	Very high	50 Å²	50	95 Å²	95	41%	0.413	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-41	174.2	0	0	0	0	0	112.1	E201 L202 N203 A208 V209	E201-A205 WeakPolarHBondContact O-CB 3.41Å; E201-A205 PolarHBondContact O-N 2.79Å; L202-A205 WeakPolarHBondContact O-CB 3.48Å; L202-A205 PolarHBondContact O-N 2.94Å; N203-A205 VanDerWaalsContact C-N 3.28Å; N203-A205 PolarHBondContact O-N 2.9Å; A205-A208 PolarHBondContact O-N 2.78Å; A205-V209 VanDerWaalsContact O-CG2 3.28Å; A205-V209 WeakPolarHBondContact O-CG2 3.29Å; A205-V209 PolarHBondContact O-N 3.27Å
206	Q	97.3	Very high	96.6	Very high	95 Å²	95	94.3 Å²	94.3	44%	0.444	50%	0.5	S	S	.	.	H	α-helix	trans	-61.6	-47.4	178	-172.2	-170.1	-79.9	0	0	112.7	L202 N203 C204 A208 V209 K210	L202-Q206 PolarHBondContact O-N 3.34Å; N203-Q206 WeakPolarHBondContact O-CB 3.34Å; N203-Q206 PolarHBondContact O-N 3.35Å; C204-Q206 VanDerWaalsContact C-N 3.35Å; C204-Q206 PolarHBondContact O-N 3.24Å; Q206-A208 VanDerWaalsContact C-N 3.35Å; Q206-V209 PolarHBondContact O-N 2.87Å; Q206-K210 PolarHBondContact O-N 2.85Å
207	E	96.7	Very high	96.7	Very high	103 Å²	103	91.5 Å²	91.5	48%	0.481	49%	0.493	S	S	.	.	H	α-helix	trans	-68.5	-35.8	-179.9	-66.6	-53.1	127.1	0	0	112	N203 C204 V209 K210 S211	N203-E207 PolarHBondContact O-N 3.33Å; N203-E207 VanDerWaalsContact O-N 3.14Å; C204-E207 PolarHBondContact O-N 3.05Å; E207-V209 VanDerWaalsContact C-N 3.31Å; E207-V209 PolarHBondContact O-N 3.3Å; E207-K210 PolarHBondContact O-N 3.08Å; E207-K210 IonicContact OE1-NZ 2.73Å; E207-K210 PolarHBondContact OE1-NZ 3.44Å; E207-S211 WeakPolarHBondContact O-CB 3.47Å; E207-S211 PolarHBondContact O-N 2.99Å
208	A	96.5	Very high	96.8	Very high	63 Å²	63	93.3 Å²	93.3	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-58.9	-43.7	170.6	0	0	0	0	0	111.5	C204 A205 Q206 E212	C204-A208 WeakPolarHBondContact O-CB 3.41Å; C204-A208 PolarHBondContact O-N 2.96Å; C204-A208 VanDerWaalsContact O-N 3.08Å; A205-A208 PolarHBondContact O-N 2.78Å; Q206-A208 VanDerWaalsContact C-N 3.35Å; A208-E212 WeakPolarHBondContact O-CB 3.41Å; A208-E212 PolarHBondContact O-N 2.95Å; A208-E212 VanDerWaalsContact O-N 3.11Å
209	V	97.4	Very high	96.9	Very high	101 Å²	101	93.4 Å²	93.4	61%	0.612	50%	0.499	S	S	*	.	H	α-helix	trans	-66	-40.8	176.9	172	0	0	0	0	112.1	A205 Q206 E207 E212 L213	A205-V209 VanDerWaalsContact O-CG2 3.28Å; A205-V209 WeakPolarHBondContact O-CG2 3.29Å; A205-V209 PolarHBondContact O-N 3.27Å; Q206-V209 PolarHBondContact O-N 2.87Å; E207-V209 VanDerWaalsContact C-N 3.31Å; E207-V209 PolarHBondContact O-N 3.3Å; V209-E212 PolarHBondContact O-N 3.3Å; V209-L213 PolarHBondContact O-N 2.96Å
210	K	97.8	Very high	97	Very high	105 Å²	105	93.4 Å²	93.4	46%	0.457	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-45.1	177.1	-74.8	179.9	-172.6	164.4	0	112.6	Q206 E207 E212 L213 E214	Q206-K210 PolarHBondContact O-N 2.85Å; E207-K210 PolarHBondContact O-N 3.08Å; E207-K210 IonicContact OE1-NZ 2.73Å; E207-K210 PolarHBondContact OE1-NZ 3.44Å; K210-E212 PolarHBondContact O-N 2.95Å; K210-L213 WeakPolarHBondContact O-CB 3.35Å; K210-L213 PolarHBondContact O-N 2.81Å; K210-L213 VanDerWaalsContact O-N 3.14Å; K210-E214 PolarHBondContact O-N 2.86Å
211	S	96.9	Very high	97	Very high	75 Å²	75	91.4 Å²	91.4	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-59.4	-39.7	176.5	-177.7	0	0	0	0	111	E207 E214 R215	E207-S211 WeakPolarHBondContact O-CB 3.47Å; E207-S211 PolarHBondContact O-N 2.99Å; S211-E214 PolarHBondContact O-N 3.44Å; S211-R215 WeakPolarHBondContact O-CB 3.36Å; S211-R215 PolarHBondContact O-N 2.9Å
212	E	97.1	Very high	97	Very high	95 Å²	95	89 Å²	89	44%	0.444	49%	0.492	S	S	.	.	H	α-helix	trans	-67.8	-35.4	176.7	-169.9	61.5	-171.3	0	0	112.7	A208 V209 K210 R215 L216	A208-E212 WeakPolarHBondContact O-CB 3.41Å; A208-E212 PolarHBondContact O-N 2.95Å; A208-E212 VanDerWaalsContact O-N 3.11Å; V209-E212 PolarHBondContact O-N 3.3Å; K210-E212 PolarHBondContact O-N 2.95Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-R215 IonicContact OE1-CZ 3.91Å; E212-R215 IonicContact OE1-NE 2.96Å; E212-R215 IonicContact OE1-NH2 2.69Å; E212-R215 PolarHBondContact OE1-NH2 2.86Å; E212-R215 IonicContact OE2-CZ 3.34Å; E212-R215 IonicContact OE2-NE 3.34Å; E212-R215 PolarHBondContact OE2-NE 3.35Å; E212-R215 IonicContact OE2-NH2 3.01Å; E212-R215 PolarHBondContact OE2-NH2 3.46Å; E212-L216 WeakPolarHBondContact O-CB 3.5Å; E212-L216 PolarHBondContact O-N 2.92Å
213	L	97.9	Very high	97	Very high	109 Å²	109	87.1 Å²	87.1	57%	0.571	49%	0.488	S	S	*	.	H	α-helix	trans	-66.6	-39.6	175	-174.1	64.2	0	0	0	112.7	V209 K210 L216 T217	V209-L213 PolarHBondContact O-N 2.96Å; K210-L213 WeakPolarHBondContact O-CB 3.35Å; K210-L213 PolarHBondContact O-N 2.81Å; K210-L213 VanDerWaalsContact O-N 3.14Å; L213-L216 PolarHBondContact O-N 3.26Å; L213-T217 PolarHBondContact O-N 2.91Å; L213-T217 PolarHBondContact O-OG1 3.1Å
214	E	97.4	Very high	97	Very high	128 Å²	128	86.3 Å²	86.3	60%	0.598	49%	0.486	S	S	*	.	H	α-helix	trans	-65.9	-44.8	174.5	-173.2	-178.7	178.6	0	0	110.9	K210 S211 L216 T217 N218	K210-E214 PolarHBondContact O-N 2.86Å; S211-E214 PolarHBondContact O-N 3.44Å; E214-L216 VanDerWaalsContact C-N 3.3Å; E214-L216 PolarHBondContact O-N 2.88Å; E214-T217 WeakPolarHBondContact O-CB 3.46Å; E214-T217 PolarHBondContact O-N 2.98Å; E214-T217 VanDerWaalsContact O-N 3.1Å; E214-N218 PolarHBondContact O-N 2.48Å
215	R	97.4	Very high	97	Very high	124 Å²	124	89.2 Å²	89.2	47%	0.468	49%	0.492	S	S	.	.	H	α-helix	trans	-59.6	-41.5	175.3	-163.9	-179.7	74.3	80.8	1.1	111.6	S211 E212 T217 N218 N219	S211-R215 WeakPolarHBondContact O-CB 3.36Å; S211-R215 PolarHBondContact O-N 2.9Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-R215 IonicContact OE1-CZ 3.91Å; E212-R215 IonicContact OE1-NE 2.96Å; E212-R215 IonicContact OE1-NH2 2.69Å; E212-R215 PolarHBondContact OE1-NH2 2.86Å; E212-R215 IonicContact OE2-CZ 3.34Å; E212-R215 IonicContact OE2-NE 3.34Å; E212-R215 PolarHBondContact OE2-NE 3.35Å; E212-R215 IonicContact OE2-NH2 3.01Å; E212-R215 PolarHBondContact OE2-NH2 3.46Å; R215-T217 VanDerWaalsContact C-N 3.34Å; R215-N218 PolarHBondContact O-N 2.88Å; R215-N219 PolarHBondContact NH1-ND2 2.84Å; R215-N219 WeakPolarHBondContact O-CB 3.31Å; R215-N219 PolarHBondContact O-N 2.87Å; R215-N219 PolarHBondContact O-ND2 2.76Å
216	L	97.2	Very high	97	Very high	97 Å²	97	90 Å²	90	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-60.5	-43.5	174.2	177.9	61.1	0	0	0	111.5	E212 L213 E214 N219 T220	E212-L216 WeakPolarHBondContact O-CB 3.5Å; E212-L216 PolarHBondContact O-N 2.92Å; L213-L216 PolarHBondContact O-N 3.26Å; E214-L216 VanDerWaalsContact C-N 3.3Å; E214-L216 PolarHBondContact O-N 2.88Å; L216-N219 PolarHBondContact O-N 2.87Å; L216-T220 WeakPolarHBondContact O-CB 3.2Å; L216-T220 PolarHBondContact O-N 3.41Å; L216-T220 PolarHBondContact O-OG1 3.39Å
217	T	97.3	Very high	96.9	Very high	77 Å²	77	89.8 Å²	89.8	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-47.8	178.8	-56	0	0	0	0	111.4	L213 E214 R215 N219 T220 S221	L213-T217 PolarHBondContact O-N 2.91Å; L213-T217 PolarHBondContact O-OG1 3.1Å; E214-T217 WeakPolarHBondContact O-CB 3.46Å; E214-T217 PolarHBondContact O-N 2.98Å; E214-T217 VanDerWaalsContact O-N 3.1Å; R215-T217 VanDerWaalsContact C-N 3.34Å; T217-N219 PolarHBondContact O-N 3.33Å; T217-T220 WeakPolarHBondContact O-CB 3.33Å; T217-T220 PolarHBondContact O-N 3.21Å; T217-S221 PolarHBondContact O-N 3.13Å; T217-S221 PolarHBondContact O-OG 3.18Å
218	N	97.2	Very high	96.9	Very high	94 Å²	94	89.4 Å²	89.4	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-44.2	178.5	-69.5	-23.3	0	0	0	112.1	E214 R215 T220 S221 S222	E214-N218 PolarHBondContact O-N 2.48Å; R215-N218 PolarHBondContact O-N 2.88Å; N218-T220 VanDerWaalsContact C-N 3.29Å; N218-T220 PolarHBondContact O-N 2.83Å; N218-S221 PolarHBondContact O-N 3.49Å; N218-S222 WeakPolarHBondContact O-CB 3.28Å; N218-S222 PolarHBondContact O-N 3.21Å
219	N	97.4	Very high	96.7	Very high	73 Å²	73	89.3 Å²	89.3	39%	0.39	49%	0.492	S	S	.	.	H	α-helix	trans	-62.8	-38.6	175.8	-70.5	-15.4	0	0	0	111.4	R215 L216 T217 S222 C223	R215-N219 PolarHBondContact NH1-ND2 2.84Å; R215-N219 WeakPolarHBondContact O-CB 3.31Å; R215-N219 PolarHBondContact O-N 2.87Å; R215-N219 PolarHBondContact O-ND2 2.76Å; L216-N219 PolarHBondContact O-N 2.87Å; T217-N219 PolarHBondContact O-N 3.33Å; N219-S222 PolarHBondContact O-N 3.19Å; N219-C223 WeakPolarHBondContact O-CB 3.4Å; N219-C223 PolarHBondContact O-N 3.36Å; N219-C223 PolarHBondContact O-SG 3.43Å
220	T	97.4	Very high	96.5	Very high	74 Å²	74	91.6 Å²	91.6	45%	0.454	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-48.4	178.3	-58.8	0	0	0	0	110.8	L216 T217 N218 S222 C223 V224	L216-T220 WeakPolarHBondContact O-CB 3.2Å; L216-T220 PolarHBondContact O-N 3.41Å; L216-T220 PolarHBondContact O-OG1 3.39Å; T217-T220 WeakPolarHBondContact O-CB 3.33Å; T217-T220 PolarHBondContact O-N 3.21Å; N218-T220 VanDerWaalsContact C-N 3.29Å; N218-T220 PolarHBondContact O-N 2.83Å; T220-S222 PolarHBondContact O-N 3.21Å; T220-C223 WeakPolarHBondContact O-CB 3.4Å; T220-C223 PolarHBondContact O-N 3.29Å; T220-V224 WeakPolarHBondContact O-CG2 3.42Å; T220-V224 PolarHBondContact O-N 2.66Å
221	S	96.2	Very high	96.3	Very high	62 Å²	62	92.7 Å²	92.7	43%	0.434	50%	0.495	S	S	.	.	H	α-helix	trans	-60.5	-46	176.7	-60.5	0	0	0	0	112.2	T217 N218 C223 V224 E225	T217-S221 PolarHBondContact O-N 3.13Å; T217-S221 PolarHBondContact O-OG 3.18Å; N218-S221 PolarHBondContact O-N 3.49Å; S221-C223 VanDerWaalsContact C-N 3.31Å; S221-C223 PolarHBondContact O-N 3.45Å; S221-V224 PolarHBondContact O-N 3.26Å; S221-V224 VanDerWaalsContact O-N 3.16Å; S221-E225 PolarHBondContact O-N 3.4Å
222	S	96.5	Very high	96.2	Very high	64 Å²	64	92.6 Å²	92.6	45%	0.448	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-36.8	177.7	-176.5	0	0	0	0	112.7	N218 N219 T220 S226	N218-S222 WeakPolarHBondContact O-CB 3.28Å; N218-S222 PolarHBondContact O-N 3.21Å; N219-S222 PolarHBondContact O-N 3.19Å; T220-S222 PolarHBondContact O-N 3.21Å; S222-S226 WeakPolarHBondContact O-CB 3.44Å; S222-S226 PolarHBondContact O-N 3.04Å; S222-S226 PolarHBondContact O-OG 3.3Å
223	C	96.4	Very high	96	Very high	74 Å²	74	90.9 Å²	90.9	50%	0.5	49%	0.486	S	S	.	.	H	α-helix	trans	-63.9	-44.3	173.7	-71.8	0	0	0	0	111.4	N219 T220 S221 S226 I227	N219-C223 WeakPolarHBondContact O-CB 3.4Å; N219-C223 PolarHBondContact O-N 3.36Å; N219-C223 PolarHBondContact O-SG 3.43Å; T220-C223 WeakPolarHBondContact O-CB 3.4Å; T220-C223 PolarHBondContact O-N 3.29Å; S221-C223 VanDerWaalsContact C-N 3.31Å; S221-C223 PolarHBondContact O-N 3.45Å; C223-S226 PolarHBondContact O-N 2.97Å; C223-I227 WeakPolarHBondContact O-CD1 3.42Å; C223-I227 VanDerWaalsContact O-CG1 3.24Å; C223-I227 WeakPolarHBondContact O-CG1 3.4Å; C223-I227 PolarHBondContact O-N 2.88Å
224	V	97.4	Very high	95.7	Very high	74 Å²	74	88 Å²	88	45%	0.448	47%	0.47	S	S	.	.	H	α-helix	trans	-62.4	-45.2	178.6	171.2	0	0	0	0	111.4	T220 S221 S226 I227 N228	T220-V224 WeakPolarHBondContact O-CG2 3.42Å; T220-V224 PolarHBondContact O-N 2.66Å; S221-V224 PolarHBondContact O-N 3.26Å; S221-V224 VanDerWaalsContact O-N 3.16Å; V224-S226 PolarHBondContact O-N 3.3Å; V224-I227 PolarHBondContact O-N 3.08Å; V224-N228 PolarHBondContact O-N 3.07Å; V224-N228 PolarHBondContact O-ND2 3.14Å
225	E	96.4	Very high	95.6	Very high	136 Å²	136	86.7 Å²	86.7	64%	0.636	47%	0.467	S	S	*	.	H	α-helix	trans	-61	-44.6	176.1	-72.1	174.6	-177.1	0	0	112	S221 I227 N228 S229	S221-E225 PolarHBondContact O-N 3.4Å; E225-I227 VanDerWaalsContact C-N 3.35Å; E225-I227 PolarHBondContact O-N 3.04Å; E225-N228 PolarHBondContact O-N 3.34Å; E225-S229 PolarHBondContact O-N 3.2Å
226	S	94.8	Very high	95.4	Very high	66 Å²	66	83.4 Å²	83.4	46%	0.462	47%	0.466	S	S	.	.	H	α-helix	trans	-61.5	-42.8	177.8	-62.2	0	0	0	0	111.8	S222 C223 V224 R230	S222-S226 WeakPolarHBondContact O-CB 3.44Å; S222-S226 PolarHBondContact O-N 3.04Å; S222-S226 PolarHBondContact O-OG 3.3Å; C223-S226 PolarHBondContact O-N 2.97Å; V224-S226 PolarHBondContact O-N 3.3Å; S226-R230 VanDerWaalsContact O-CG 3.27Å; S226-R230 WeakPolarHBondContact O-CG 3.28Å; S226-R230 PolarHBondContact O-N 3.4Å
227	I	95.5	Very high	95.2	Very high	92 Å²	92	81.2 Å²	81.2	47%	0.472	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-53.5	174.9	-70.8	164.7	0	0	0	109.6	C223 V224 E225 S229 R230 F231	C223-I227 WeakPolarHBondContact O-CD1 3.42Å; C223-I227 VanDerWaalsContact O-CG1 3.24Å; C223-I227 WeakPolarHBondContact O-CG1 3.4Å; C223-I227 PolarHBondContact O-N 2.88Å; V224-I227 PolarHBondContact O-N 3.08Å; E225-I227 VanDerWaalsContact C-N 3.35Å; E225-I227 PolarHBondContact O-N 3.04Å; I227-S229 VanDerWaalsContact C-N 3.32Å; I227-S229 PolarHBondContact O-N 3.25Å; I227-R230 PolarHBondContact O-N 3.5Å; I227-R230 VanDerWaalsContact O-N 3.11Å; I227-F231 HydrophobicContact CG2-CD2 3.76Å; I227-F231 HydrophobicContact CG2-CE2 3.89Å; I227-F231 WeakPolarHBondContact O-CD2 3.48Å; I227-F231 PolarHBondContact O-N 3.35Å
228	N	96.3	Very high	95.1	Very high	94 Å²	94	80.6 Å²	80.6	50%	0.503	45%	0.451	S	S	.	.	H	α-helix	trans	-60	-39.8	-176.6	-72.5	-28.7	0	0	0	112.9	V224 E225 S232	V224-N228 PolarHBondContact O-N 3.07Å; V224-N228 PolarHBondContact O-ND2 3.14Å; E225-N228 PolarHBondContact O-N 3.34Å; N228-S232 WeakPolarHBondContact O-CB 3.37Å; N228-S232 PolarHBondContact O-N 2.87Å; N228-S232 PolarHBondContact O-OG 3.44Å
229	S	93.9	Very high	95	Very high	62 Å²	62	82.4 Å²	82.4	43%	0.434	46%	0.456	S	S	.	.	H	α-helix	trans	-60.1	-46.8	175	-173.1	0	0	0	0	111.6	E225 I227 S232 E233	E225-S229 PolarHBondContact O-N 3.2Å; I227-S229 VanDerWaalsContact C-N 3.32Å; I227-S229 PolarHBondContact O-N 3.25Å; S229-S232 PolarHBondContact O-N 3.26Å; S229-E233 PolarHBondContact O-N 3.37Å; S229-E233 VanDerWaalsContact O-N 3.13Å
230	R	91.7	Very high	94.8	Very high	148 Å²	148	84.7 Å²	84.7	56%	0.558	46%	0.464	S	S	*	.	H	α-helix	trans	-67.4	-40.8	-178	-65.9	-66.3	163.5	-164.8	-1.1	112.8	S226 I227 S232 E233 I234	S226-R230 VanDerWaalsContact O-CG 3.27Å; S226-R230 WeakPolarHBondContact O-CG 3.28Å; S226-R230 PolarHBondContact O-N 3.4Å; I227-R230 PolarHBondContact O-N 3.5Å; I227-R230 VanDerWaalsContact O-N 3.11Å; R230-S232 VanDerWaalsContact C-N 3.33Å; R230-E233 IonicContact CZ-OE1 3.82Å; R230-E233 IonicContact NH1-OE1 2.78Å; R230-E233 PolarHBondContact NH1-OE1 3.43Å; R230-E233 IonicContact NH1-OE2 2.8Å; R230-E233 PolarHBondContact NH1-OE2 3.07Å; R230-E233 PolarHBondContact O-N 3.12Å; R230-I234 WeakPolarHBondContact O-CG1 3.31Å; R230-I234 PolarHBondContact O-N 2.88Å
231	F	94.3	Very high	94.6	Very high	128 Å²	128	83.2 Å²	83.2	56%	0.561	45%	0.451	S	S	*	.	H	α-helix	trans	-68.9	-33.4	176.1	-82.5	-90.4	0	0	0	112	I227 I234 L235	I227-F231 HydrophobicContact CG2-CD2 3.76Å; I227-F231 HydrophobicContact CG2-CE2 3.89Å; I227-F231 WeakPolarHBondContact O-CD2 3.48Å; I227-F231 PolarHBondContact O-N 3.35Å; F231-I234 PolarHBondContact O-N 3.3Å; F231-L235 VanDerWaalsContact O-CG 3.32Å; F231-L235 WeakPolarHBondContact O-CG 3.36Å; F231-L235 PolarHBondContact O-N 3.05Å
232	S	95.3	Very high	94.6	Very high	73 Å²	73	85.9 Å²	85.9	51%	0.51	46%	0.456	S	S	.	.	H	α-helix	trans	-63.5	-41.1	174.4	-59.2	0	0	0	0	112.3	N228 S229 R230 I234 L235 A236	N228-S232 WeakPolarHBondContact O-CB 3.37Å; N228-S232 PolarHBondContact O-N 2.87Å; N228-S232 PolarHBondContact O-OG 3.44Å; S229-S232 PolarHBondContact O-N 3.26Å; R230-S232 VanDerWaalsContact C-N 3.33Å; S232-I234 PolarHBondContact O-N 2.8Å; S232-L235 PolarHBondContact O-N 2.99Å; S232-A236 PolarHBondContact O-N 2.96Å; S232-A236 VanDerWaalsContact O-N 3.09Å
233	E	92.1	Very high	94.5	Very high	59 Å²	59	84.2 Å²	84.2	28%	0.276	45%	0.449	S	S	.	.	H	α-helix	trans	-60.5	-43.4	173.8	-70.2	166.9	-135.2	0	0	111.8	S229 R230 A236 L237 L398	S229-E233 PolarHBondContact O-N 3.37Å; S229-E233 VanDerWaalsContact O-N 3.13Å; R230-E233 IonicContact CZ-OE1 3.82Å; R230-E233 IonicContact NH1-OE1 2.78Å; R230-E233 PolarHBondContact NH1-OE1 3.43Å; R230-E233 IonicContact NH1-OE2 2.8Å; R230-E233 PolarHBondContact NH1-OE2 3.07Å; R230-E233 PolarHBondContact O-N 3.12Å; E233-A236 PolarHBondContact O-N 3.48Å; E233-L237 WeakPolarHBondContact O-CG 3.41Å; E233-L237 PolarHBondContact O-N 2.89Å; E233-L398 HydrophobicContact CB-CD1 4.24Å; E233-L398 VanDerWaalsContact OE2-CD2 3.28Å; E233-L398 WeakPolarHBondContact OE2-CD2 3.02Å
234	I	91.6	Very high	94.4	Very high	48 Å²	48	84.7 Å²	84.7	25%	0.246	44%	0.444	C	S	.	.	H	α-helix	trans	-67.1	-43.2	178.9	-65.6	167.7	0	0	0	111.2	R230 F231 S232 A236 L237 V238 L398 I401	R230-I234 WeakPolarHBondContact O-CG1 3.31Å; R230-I234 PolarHBondContact O-N 2.88Å; F231-I234 PolarHBondContact O-N 3.3Å; S232-I234 PolarHBondContact O-N 2.8Å; I234-A236 VanDerWaalsContact C-N 3.31Å; I234-A236 PolarHBondContact O-N 3.26Å; I234-L237 PolarHBondContact O-N 2.84Å; I234-V238 WeakPolarHBondContact O-CG2 3.28Å; I234-V238 PolarHBondContact O-N 3.14Å; I234-V238 VanDerWaalsContact O-N 3.08Å; I234-L398 HydrophobicContact CG1-CD1 4.1Å; I234-I401 HydrophobicContact CD1-CD1 3.69Å; I234-I401 HydrophobicContact CG1-CD1 3.96Å; I234-I401 HydrophobicContact CG2-CG2 4.39Å
235	L	95.3	Very high	94.2	Very high	102 Å²	102	82.2 Å²	82.2	53%	0.534	43%	0.428	S	S	.	.	H	α-helix	trans	-59.7	-42.6	177.6	-74	171.7	0	0	0	111.5	F231 S232 L237 V238 E239	F231-L235 VanDerWaalsContact O-CG 3.32Å; F231-L235 WeakPolarHBondContact O-CG 3.36Å; F231-L235 PolarHBondContact O-N 3.05Å; S232-L235 PolarHBondContact O-N 2.99Å; L235-L237 VanDerWaalsContact C-N 3.32Å; L235-L237 PolarHBondContact O-N 3.15Å; L235-V238 PolarHBondContact O-N 3.11Å; L235-V238 VanDerWaalsContact O-N 3.14Å; L235-E239 WeakPolarHBondContact O-CG 3.39Å; L235-E239 PolarHBondContact O-N 3.15Å
236	A	94.1	Very high	94.2	Very high	54 Å²	54	80.2 Å²	80.2	45%	0.446	42%	0.421	S	S	.	.	H	α-helix	trans	-60.9	-39	176.6	0	0	0	0	0	112.6	S232 E233 I234 H240	S232-A236 PolarHBondContact O-N 2.96Å; S232-A236 VanDerWaalsContact O-N 3.09Å; E233-A236 PolarHBondContact O-N 3.48Å; I234-A236 VanDerWaalsContact C-N 3.31Å; I234-A236 PolarHBondContact O-N 3.26Å; A236-H240 VanDerWaalsContact O-CB 3.29Å; A236-H240 WeakPolarHBondContact O-CB 3.08Å; A236-H240 PolarHBondContact O-N 3.09Å
237	L	92.6	Very high	94.3	Very high	51 Å²	51	81.6 Å²	81.6	27%	0.267	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-38.8	175	-67.5	172.8	0	0	0	112.1	E233 I234 L235 R241 L398 A402 L405	E233-L237 WeakPolarHBondContact O-CG 3.41Å; E233-L237 PolarHBondContact O-N 2.89Å; I234-L237 PolarHBondContact O-N 2.84Å; L235-L237 VanDerWaalsContact C-N 3.32Å; L235-L237 PolarHBondContact O-N 3.15Å; L237-R241 WeakPolarHBondContact O-CB 3.42Å; L237-R241 PolarHBondContact O-N 2.7Å; L237-L398 HydrophobicContact CD1-CD1 3.97Å; L237-L398 HydrophobicContact CD1-CG 4.38Å; L237-A402 HydrophobicContact CD1-CB 4.1Å; L237-A402 HydrophobicContact CD2-CB 4.39Å; L237-L405 HydrophobicContact CB-CD1 3.49Å; L237-L405 VanDerWaalsContact CB-CD1 3.49Å; L237-L405 HydrophobicContact CD1-CD1 4.45Å
238	V	93.9	Very high	94.1	Very high	64 Å²	64	79.1 Å²	79.1	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-66.3	-47.4	177.2	173.4	0	0	0	0	110.9	I234 L235 H240 R241 Q242 L405	I234-V238 WeakPolarHBondContact O-CG2 3.28Å; I234-V238 PolarHBondContact O-N 3.14Å; I234-V238 VanDerWaalsContact O-N 3.08Å; L235-V238 PolarHBondContact O-N 3.11Å; L235-V238 VanDerWaalsContact O-N 3.14Å; V238-H240 VanDerWaalsContact C-N 3.34Å; V238-H240 PolarHBondContact O-N 2.87Å; V238-R241 PolarHBondContact O-N 2.72Å; V238-Q242 WeakPolarHBondContact O-CB 3.32Å; V238-Q242 PolarHBondContact O-N 3.25Å; V238-L405 HydrophobicContact CG2-CD1 3.94Å; V238-L405 HydrophobicContact CG2-CD2 3.9Å
239	E	95.7	Very high	94	Very high	132 Å²	132	77.3 Å²	77.3	62%	0.617	41%	0.406	S	S	*	.	H	α-helix	trans	-61.2	-42.3	176.9	-72.5	178.2	173.3	0	0	111.6	L235 Q242 G243	L235-E239 WeakPolarHBondContact O-CG 3.39Å; L235-E239 PolarHBondContact O-N 3.15Å; E239-Q242 PolarHBondContact O-N 2.86Å; E239-G243 PolarHBondContact O-N 2.91Å
240	H	93.4	Very high	94.1	Very high	121 Å²	121	81 Å²	81	56%	0.56	41%	0.414	S	S	*	.	H	α-helix	trans	-59.6	-50.8	175.9	-176.9	58.1	0	0	0	111.4	A236 V238 Q242 G243 E244	A236-H240 VanDerWaalsContact O-CB 3.29Å; A236-H240 WeakPolarHBondContact O-CB 3.08Å; A236-H240 PolarHBondContact O-N 3.09Å; V238-H240 VanDerWaalsContact C-N 3.34Å; V238-H240 PolarHBondContact O-N 2.87Å; H240-Q242 VanDerWaalsContact C-N 3.31Å; H240-Q242 PolarHBondContact O-N 2.86Å; H240-G243 PolarHBondContact O-N 3.17Å; H240-G243 VanDerWaalsContact O-N 3.12Å; H240-E244 IonicContact CD2-OE1 3.83Å; H240-E244 IonicContact NE2-OE1 3.11Å; H240-E244 PolarHBondContact NE2-OE1 2.9Å; H240-E244 WeakPolarHBondContact O-CG 3.39Å; H240-E244 PolarHBondContact O-N 2.93Å
241	R	93.8	Very high	94.3	Very high	44 Å²	44	79.7 Å²	79.7	17%	0.166	41%	0.409	C	S	.	.	H	α-helix	trans	-60.2	-41	178.4	178.5	56.3	179.7	179.2	-6.1	112.4	L237 V238 G243 E244 L245 L405 S406 F408 G409	L237-R241 WeakPolarHBondContact O-CB 3.42Å; L237-R241 PolarHBondContact O-N 2.7Å; V238-R241 PolarHBondContact O-N 2.72Å; R241-G243 VanDerWaalsContact C-N 3.34Å; R241-E244 WeakPolarHBondContact CD-OE2 3.12Å; R241-E244 IonicContact NH1-OE2 2.73Å; R241-E244 PolarHBondContact NH1-OE2 2.98Å; R241-E244 PolarHBondContact O-N 2.91Å; R241-L245 HydrophobicContact CG-CD1 4.29Å; R241-L245 WeakPolarHBondContact O-CG 3.38Å; R241-L245 PolarHBondContact O-N 2.7Å; R241-L405 WeakPolarHBondContact CD-O 3.44Å; R241-L405 WeakPolarHBondContact CG-O 3.42Å; R241-L405 PolarHBondContact NE-O 3.42Å; R241-S406 VanDerWaalsContact CZ-O 3.31Å; R241-S406 PolarHBondContact NH2-O 3.21Å; R241-F408 PolarHBondContact NE-O 3.12Å; R241-F408 PolarHBondContact NH2-O 2.88Å; R241-G409 PolarHBondContact NH2-O 2.83Å
242	Q	95.3	Very high	94.1	Very high	118 Å²	118	74.4 Å²	74.4	55%	0.551	39%	0.387	S	S	*	.	H	α-helix	trans	-60.9	-44.7	175.3	-176	-176.9	9.9	0	0	111.3	V238 E239 H240 L245 L246	V238-Q242 WeakPolarHBondContact O-CB 3.32Å; V238-Q242 PolarHBondContact O-N 3.25Å; E239-Q242 PolarHBondContact O-N 2.86Å; H240-Q242 VanDerWaalsContact C-N 3.31Å; H240-Q242 PolarHBondContact O-N 2.86Å; Q242-L245 PolarHBondContact O-N 2.69Å; Q242-L246 HydrophobicContact CG-CD1 4.24Å; Q242-L246 WeakPolarHBondContact O-CG 3.37Å; Q242-L246 PolarHBondContact O-N 3.11Å; Q242-L246 VanDerWaalsContact O-N 3.11Å
243	G	95.5	Very high	94.1	Very high	28 Å²	28	72.1 Å²	72.1	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-59	-48.3	175.8	0	0	0	0	0	112.8	E239 H240 R241 L245 L246 D247	E239-G243 PolarHBondContact O-N 2.91Å; H240-G243 PolarHBondContact O-N 3.17Å; H240-G243 VanDerWaalsContact O-N 3.12Å; R241-G243 VanDerWaalsContact C-N 3.34Å; G243-L245 VanDerWaalsContact C-N 3.33Å; G243-L245 PolarHBondContact O-N 2.87Å; G243-L246 PolarHBondContact O-N 3.38Å; G243-D247 PolarHBondContact O-N 3.06Å
244	E	94.1	Very high	94.3	Very high	84 Å²	84	72.9 Å²	72.9	39%	0.393	38%	0.378	S	S	.	.	H	α-helix	trans	-54.5	-46.7	176.8	-69.9	-176.3	149.2	0	0	112.4	H240 R241 D247 C248	H240-E244 IonicContact CD2-OE1 3.83Å; H240-E244 IonicContact NE2-OE1 3.11Å; H240-E244 PolarHBondContact NE2-OE1 2.9Å; H240-E244 WeakPolarHBondContact O-CG 3.39Å; H240-E244 PolarHBondContact O-N 2.93Å; R241-E244 WeakPolarHBondContact CD-OE2 3.12Å; R241-E244 IonicContact NH1-OE2 2.73Å; R241-E244 PolarHBondContact NH1-OE2 2.98Å; R241-E244 PolarHBondContact O-N 2.91Å; E244-D247 PolarHBondContact O-N 2.77Å; E244-C248 VanDerWaalsContact O-CB 3.32Å; E244-C248 WeakPolarHBondContact O-CB 3.38Å; E244-C248 PolarHBondContact O-N 2.89Å
245	L	93.5	Very high	94.3	Very high	23 Å²	23	74.9 Å²	74.9	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-66	-42	-179.1	-72.5	167.9	0	0	0	111.6	R241 Q242 G243 C248 V249 Y318	R241-L245 HydrophobicContact CG-CD1 4.29Å; R241-L245 WeakPolarHBondContact O-CG 3.38Å; R241-L245 PolarHBondContact O-N 2.7Å; Q242-L245 PolarHBondContact O-N 2.69Å; G243-L245 VanDerWaalsContact C-N 3.33Å; G243-L245 PolarHBondContact O-N 2.87Å; L245-C248 WeakPolarHBondContact O-CB 3.29Å; L245-C248 PolarHBondContact O-N 3.16Å; L245-V249 WeakPolarHBondContact O-CG2 3.4Å; L245-V249 PolarHBondContact O-N 2.9Å; L245-Y318 HydrophobicContact CD1-CE2 4.01Å
246	L	96.4	Very high	94.2	Very high	93 Å²	93	70.9 Å²	70.9	49%	0.487	37%	0.365	S	S	.	.	H	α-helix	trans	-64.2	-42	177.9	-72.9	172.8	0	0	0	112.3	Q242 G243 C248 V249 K250	Q242-L246 HydrophobicContact CG-CD1 4.24Å; Q242-L246 WeakPolarHBondContact O-CG 3.37Å; Q242-L246 PolarHBondContact O-N 3.11Å; Q242-L246 VanDerWaalsContact O-N 3.11Å; G243-L246 PolarHBondContact O-N 3.38Å; L246-C248 VanDerWaalsContact C-N 3.31Å; L246-V249 PolarHBondContact O-N 2.84Å; L246-K250 WeakPolarHBondContact O-CG 3.25Å; L246-K250 PolarHBondContact O-N 2.89Å; L246-K250 VanDerWaalsContact O-N 3.11Å
247	D	95.3	Very high	94.3	Very high	96 Å²	96	74.5 Å²	74.5	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-67.5	-35.5	176.6	-74	-17.4	0	0	0	111.5	G243 E244 K250 R251	G243-D247 PolarHBondContact O-N 3.06Å; E244-D247 PolarHBondContact O-N 2.77Å; D247-K250 PolarHBondContact O-N 3.1Å; D247-K250 IonicContact OD1-NZ 2.99Å; D247-K250 PolarHBondContact OD1-NZ 2.95Å; D247-R251 WeakPolarHBondContact O-CB 3.43Å; D247-R251 PolarHBondContact O-N 3.08Å
248	C	91.9	Very high	94.4	Very high	39 Å²	39	78.7 Å²	78.7	26%	0.264	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-41.8	173.4	-160.6	0	0	0	0	112.1	E244 L245 L246 K250 R251 I252 L411	E244-C248 VanDerWaalsContact O-CB 3.32Å; E244-C248 WeakPolarHBondContact O-CB 3.38Å; E244-C248 PolarHBondContact O-N 2.89Å; L245-C248 WeakPolarHBondContact O-CB 3.29Å; L245-C248 PolarHBondContact O-N 3.16Å; L246-C248 VanDerWaalsContact C-N 3.31Å; C248-K250 PolarHBondContact O-N 2.79Å; C248-R251 PolarHBondContact O-N 3.4Å; C248-I252 WeakPolarHBondContact O-CB 3.42Å; C248-I252 VanDerWaalsContact O-CG1 3.28Å; C248-I252 WeakPolarHBondContact O-CG1 3.5Å; C248-I252 PolarHBondContact O-N 3.04Å; C248-L411 HydrophobicContact CB-CD1 3.6Å
249	V	94.7	Very high	94.3	Very high	57 Å²	57	77.6 Å²	77.6	35%	0.345	38%	0.376	S	S	.	.	H	α-helix	trans	-57.8	-49	173.5	169.9	0	0	0	0	110.9	L245 L246 R251 G253 L316 L411	L245-V249 WeakPolarHBondContact O-CG2 3.4Å; L245-V249 PolarHBondContact O-N 2.9Å; L246-V249 PolarHBondContact O-N 2.84Å; V249-R251 PolarHBondContact O-N 2.85Å; V249-G253 PolarHBondContact O-N 2.78Å; V249-L316 HydrophobicContact CG1-CD2 4.1Å; V249-L411 HydrophobicContact CB-CD1 4.3Å; V249-L411 HydrophobicContact CG2-CD1 3.54Å; V249-L411 HydrophobicContact CG2-CD2 3.48Å; V249-L411 VanDerWaalsContact CG2-CD2 3.48Å; V249-L411 HydrophobicContact CG2-CG 4.14Å
250	K	95.9	Very high	94.2	Very high	138 Å²	138	74.2 Å²	74.2	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-60.5	-47.6	-179.9	-69.8	172.4	-169.7	160.3	0	111.4	L246 D247 C248 G253 E254	L246-K250 WeakPolarHBondContact O-CG 3.25Å; L246-K250 PolarHBondContact O-N 2.89Å; L246-K250 VanDerWaalsContact O-N 3.11Å; D247-K250 PolarHBondContact O-N 3.1Å; D247-K250 IonicContact OD1-NZ 2.99Å; D247-K250 PolarHBondContact OD1-NZ 2.95Å; C248-K250 PolarHBondContact O-N 2.79Å; K250-G253 PolarHBondContact O-N 2.83Å; K250-E254 WeakPolarHBondContact O-CB 3.26Å; K250-E254 PolarHBondContact O-N 3.17Å
251	R	94.9	Very high	94.4	Very high	121 Å²	121	72.2 Å²	72.2	46%	0.457	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-51.2	-179.1	-174.8	-174	58.2	69.1	4.7	111.4	D247 C248 V249 G253 E254 E255	D247-R251 WeakPolarHBondContact O-CB 3.43Å; D247-R251 PolarHBondContact O-N 3.08Å; C248-R251 PolarHBondContact O-N 3.4Å; V249-R251 PolarHBondContact O-N 2.85Å; R251-G253 VanDerWaalsContact C-N 3.34Å; R251-G253 PolarHBondContact O-N 3.01Å; R251-E254 WeakPolarHBondContact O-CB 3.43Å; R251-E254 PolarHBondContact O-N 3.19Å; R251-E255 WeakPolarHBondContact CG-OE1 3.3Å; R251-E255 IonicContact CZ-OE1 2.73Å; R251-E255 IonicContact NH1-OE1 2.69Å; R251-E255 PolarHBondContact NH1-OE1 3.07Å; R251-E255 IonicContact NH1-OE2 3.02Å; R251-E255 PolarHBondContact NH1-OE2 3.02Å; R251-E255 WeakPolarHBondContact O-CG 3.41Å; R251-E255 PolarHBondContact O-N 2.99Å
252	I	91.8	Very high	94.4	Very high	17 Å²	17	74.9 Å²	74.9	9%	0.087	38%	0.376	C	S	.	.	H	α-helix	trans	-66.3	-39	-178.9	-63.6	174.7	0	0	0	111	C248 E254 E255 K256 L316 L411 V413	C248-I252 WeakPolarHBondContact O-CB 3.42Å; C248-I252 VanDerWaalsContact O-CG1 3.28Å; C248-I252 WeakPolarHBondContact O-CG1 3.5Å; C248-I252 PolarHBondContact O-N 3.04Å; I252-E254 VanDerWaalsContact C-N 3.33Å; I252-E254 PolarHBondContact O-N 3.24Å; I252-E255 PolarHBondContact O-N 2.88Å; I252-K256 HydrophobicContact CG2-CD 4.43Å; I252-K256 PolarHBondContact O-N 2.92Å; I252-L316 HydrophobicContact CB-CD1 4.42Å; I252-L316 HydrophobicContact CG2-CD1 3.97Å; I252-L411 HydrophobicContact CD1-CD1 4.32Å; I252-V413 HydrophobicContact CD1-CG2 3.74Å; I252-V413 HydrophobicContact CG2-CG1 3.74Å; I252-V413 HydrophobicContact CG2-CG2 4Å
253	G	94.1	Very high	94.3	Very high	25 Å²	25	69.9 Å²	69.9	26%	0.258	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-39	174.1	0	0	0	0	0	112.9	V249 K250 R251 R257	V249-G253 PolarHBondContact O-N 2.78Å; K250-G253 PolarHBondContact O-N 2.83Å; R251-G253 VanDerWaalsContact C-N 3.34Å; R251-G253 PolarHBondContact O-N 3.01Å; G253-R257 VanDerWaalsContact O-CB 3.29Å; G253-R257 WeakPolarHBondContact O-CB 3.37Å; G253-R257 PolarHBondContact O-N 3.06Å
254	E	95.8	Very high	94.3	Very high	75 Å²	75	73 Å²	73	35%	0.35	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-44	174.8	-168.4	63.6	-139.9	0	0	112.2	K250 R251 I252 R257 R258	K250-E254 WeakPolarHBondContact O-CB 3.26Å; K250-E254 PolarHBondContact O-N 3.17Å; R251-E254 WeakPolarHBondContact O-CB 3.43Å; R251-E254 PolarHBondContact O-N 3.19Å; I252-E254 VanDerWaalsContact C-N 3.33Å; I252-E254 PolarHBondContact O-N 3.24Å; E254-R257 PolarHBondContact O-N 2.88Å; E254-R257 IonicContact OE1-CZ 3.54Å; E254-R257 IonicContact OE1-NH1 3.2Å; E254-R257 PolarHBondContact OE1-NH1 3.45Å; E254-R257 VanDerWaalsContact OE1-NH1 3.11Å; E254-R257 IonicContact OE2-CZ 2.65Å; E254-R257 IonicContact OE2-NH1 3.49Å; E254-R257 PolarHBondContact OE2-NH1 3.03Å; E254-R257 IonicContact OE2-NH2 3.41Å; E254-R257 PolarHBondContact OE2-NH2 2.8Å; E254-R258 WeakPolarHBondContact O-CB 3.49Å; E254-R258 PolarHBondContact O-N 2.86Å
255	E	93	Very high	94.3	Very high	91 Å²	91	72 Å²	72	43%	0.425	37%	0.365	S	S	.	.	H	α-helix	trans	-59.6	-49.6	178.2	-74	166.3	-174.8	0	0	111.3	R251 I252 R257 R258 A259	R251-E255 WeakPolarHBondContact CG-OE1 3.3Å; R251-E255 IonicContact CZ-OE1 2.73Å; R251-E255 IonicContact NH1-OE1 2.69Å; R251-E255 PolarHBondContact NH1-OE1 3.07Å; R251-E255 IonicContact NH1-OE2 3.02Å; R251-E255 PolarHBondContact NH1-OE2 3.02Å; R251-E255 WeakPolarHBondContact O-CG 3.41Å; R251-E255 PolarHBondContact O-N 2.99Å; I252-E255 PolarHBondContact O-N 2.88Å; E255-R257 VanDerWaalsContact C-N 3.35Å; E255-R257 PolarHBondContact O-N 3.46Å; E255-R258 PolarHBondContact O-N 2.81Å; E255-A259 PolarHBondContact O-N 2.93Å; E255-A259 VanDerWaalsContact O-N 3.08Å
256	K	92.5	Very high	94.3	Very high	17 Å²	17	74.5 Å²	74.5	7%	0.074	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-41.1	176.3	-74.1	-178	168.9	-78.5	0	112.1	I252 A259 L260 E312 N313 F315 S414	I252-K256 HydrophobicContact CG2-CD 4.43Å; I252-K256 PolarHBondContact O-N 2.92Å; K256-A259 PolarHBondContact O-N 2.93Å; K256-L260 WeakPolarHBondContact O-CG 3.24Å; K256-L260 PolarHBondContact O-N 3.29Å; K256-L260 VanDerWaalsContact O-N 3.13Å; K256-E312 HydrophobicContact CB-CG 4.06Å; K256-E312 HydrophobicContact CG-CG 3.82Å; K256-E312 IonicContact NZ-OE1 2.63Å; K256-E312 PolarHBondContact NZ-OE1 2.7Å; K256-N313 WeakPolarHBondContact CD-O 3.32Å; K256-N313 PolarHBondContact NZ-O 2.88Å; K256-N313 PolarHBondContact NZ-OD1 2.72Å; K256-F315 VanDerWaalsContact CE-O 3.25Å; K256-F315 WeakPolarHBondContact CE-O 3.35Å; K256-S414 PolarHBondContact NZ-O 3.41Å
257	R	95.7	Very high	94.1	Very high	130 Å²	130	73 Å²	73	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-43.9	177.9	-163.2	-168.4	-37.9	127	18.1	111.6	G253 E254 E255 L260 T261	G253-R257 VanDerWaalsContact O-CB 3.29Å; G253-R257 WeakPolarHBondContact O-CB 3.37Å; G253-R257 PolarHBondContact O-N 3.06Å; E254-R257 PolarHBondContact O-N 2.88Å; E254-R257 IonicContact OE1-CZ 3.54Å; E254-R257 IonicContact OE1-NH1 3.2Å; E254-R257 PolarHBondContact OE1-NH1 3.45Å; E254-R257 VanDerWaalsContact OE1-NH1 3.11Å; E254-R257 IonicContact OE2-CZ 2.65Å; E254-R257 IonicContact OE2-NH1 3.49Å; E254-R257 PolarHBondContact OE2-NH1 3.03Å; E254-R257 IonicContact OE2-NH2 3.41Å; E254-R257 PolarHBondContact OE2-NH2 2.8Å; E255-R257 VanDerWaalsContact C-N 3.35Å; E255-R257 PolarHBondContact O-N 3.46Å; R257-L260 PolarHBondContact O-N 3.16Å; R257-T261 WeakPolarHBondContact O-CB 3.36Å; R257-T261 PolarHBondContact O-N 2.93Å; R257-T261 PolarHBondContact O-OG1 2.75Å
258	R	95.9	Very high	94	Very high	140 Å²	140	72.5 Å²	72.5	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-58.7	-49.9	177.2	-172.4	-179	-60.4	150.2	4.3	110.9	E254 E255 L260 T261 D262	E254-R258 WeakPolarHBondContact O-CB 3.49Å; E254-R258 PolarHBondContact O-N 2.86Å; E255-R258 PolarHBondContact O-N 2.81Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 3.31Å; R258-T261 PolarHBondContact O-N 3.1Å; R258-D262 WeakPolarHBondContact O-CB 3.48Å; R258-D262 PolarHBondContact O-N 2.64Å
259	A	91.5	Very high	94	Very high	40 Å²	40	74.3 Å²	74.3	33%	0.331	38%	0.375	S	S	.	.	H	α-helix	trans	-56.8	-41.7	178.2	0	0	0	0	0	112.8	E255 K256 Q263 E312	E255-A259 PolarHBondContact O-N 2.93Å; E255-A259 VanDerWaalsContact O-N 3.08Å; K256-A259 PolarHBondContact O-N 2.93Å; A259-Q263 PolarHBondContact O-N 3.03Å; A259-E312 HydrophobicContact CB-CB 4.05Å; A259-E312 HydrophobicContact CB-CG 4.3Å
260	L	94.2	Very high	93.8	Very high	62 Å²	62	72.9 Å²	72.9	33%	0.325	36%	0.364	S	S	.	.	H	α-helix	trans	-70.7	-40.8	177.2	-70.2	172.9	0	0	0	112.9	K256 R257 R258 Q263 L264 P310 E312	K256-L260 WeakPolarHBondContact O-CG 3.24Å; K256-L260 PolarHBondContact O-N 3.29Å; K256-L260 VanDerWaalsContact O-N 3.13Å; R257-L260 PolarHBondContact O-N 3.16Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 3.31Å; L260-Q263 PolarHBondContact O-N 3.44Å; L260-L264 WeakPolarHBondContact O-CB 3.44Å; L260-L264 PolarHBondContact O-N 3.43Å; L260-P310 HydrophobicContact CD2-CB 3.96Å; L260-E312 HydrophobicContact CD2-CB 4.22Å; L260-E312 WeakPolarHBondContact CD2-O 3.16Å; L260-E312 HydrophobicContact CG-CB 4.32Å
261	T	96	Very high	93.6	Very high	79 Å²	79	71 Å²	71	49%	0.485	35%	0.353	S	S	.	.	H	α-helix	trans	-65.3	-41	177.1	-61.2	0	0	0	0	111.5	R257 R258 Q263 L264 S265	R257-T261 WeakPolarHBondContact O-CB 3.36Å; R257-T261 PolarHBondContact O-N 2.93Å; R257-T261 PolarHBondContact O-OG1 2.75Å; R258-T261 PolarHBondContact O-N 3.1Å; T261-Q263 VanDerWaalsContact C-N 3.33Å; T261-Q263 PolarHBondContact O-N 2.79Å; T261-L264 WeakPolarHBondContact O-CB 3.36Å; T261-L264 PolarHBondContact O-N 3.26Å; T261-S265 PolarHBondContact O-N 3Å
262	D	94.6	Very high	93.5	Very high	99 Å²	99	68.8 Å²	68.8	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-42.3	176.8	-67	-14.7	0	0	0	110.7	R258 S265 L266	R258-D262 WeakPolarHBondContact O-CB 3.48Å; R258-D262 PolarHBondContact O-N 2.64Å; D262-S265 PolarHBondContact O-N 3.3Å; D262-L266 PolarHBondContact O-N 3.18Å; D262-L266 VanDerWaalsContact O-N 3.11Å
263	Q	92.8	Very high	93.4	Very high	13 Å²	13	72.4 Å²	72.4	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-40.6	173.6	-176	176.3	0.9	0	0	112	A259 L260 T261 L266 I267 E309	A259-Q263 PolarHBondContact O-N 3.03Å; L260-Q263 PolarHBondContact O-N 3.44Å; T261-Q263 VanDerWaalsContact C-N 3.33Å; T261-Q263 PolarHBondContact O-N 2.79Å; Q263-L266 WeakPolarHBondContact O-CB 3.45Å; Q263-L266 PolarHBondContact O-N 3.21Å; Q263-I267 HydrophobicContact CG-CD1 4.12Å; Q263-I267 WeakPolarHBondContact O-CG1 3.46Å; Q263-I267 PolarHBondContact O-N 3.41Å; Q263-E309 PolarHBondContact NE2-O 3.23Å
264	L	95.1	Very high	93.1	Very high	94 Å²	94	73.3 Å²	73.3	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-49.6	176.6	-174.3	63	0	0	0	110.3	L260 T261 L266 I267 E268	L260-L264 WeakPolarHBondContact O-CB 3.44Å; L260-L264 PolarHBondContact O-N 3.43Å; T261-L264 WeakPolarHBondContact O-CB 3.36Å; T261-L264 PolarHBondContact O-N 3.26Å; L264-L266 VanDerWaalsContact C-N 3.25Å; L264-L266 PolarHBondContact O-N 2.9Å; L264-I267 WeakPolarHBondContact O-CA 3.45Å; L264-I267 WeakPolarHBondContact O-CB 3.49Å; L264-I267 PolarHBondContact O-N 3.03Å; L264-E268 HydrophobicContact CG-CG 4.43Å; L264-E268 VanDerWaalsContact O-CG 3.3Å; L264-E268 WeakPolarHBondContact O-CG 3.27Å; L264-E268 PolarHBondContact O-N 3.44Å
265	S	95.6	Very high	92.8	Very high	63 Å²	63	76.3 Å²	76.3	44%	0.441	38%	0.376	S	S	.	.	H	α-helix	trans	-55.1	-39.7	176.8	178.2	0	0	0	0	112.8	T261 D262 E268 T269	T261-S265 PolarHBondContact O-N 3Å; D262-S265 PolarHBondContact O-N 3.3Å; S265-E268 PolarHBondContact O-N 3.42Å; S265-T269 PolarHBondContact O-N 3.27Å; S265-T269 PolarHBondContact O-OG1 3.14Å
266	L	91.8	Very high	92.5	Very high	75 Å²	75	76.5 Å²	76.5	39%	0.393	38%	0.384	S	S	.	.	H	α-helix	trans	-63.8	-44	174.6	-178.6	62.1	0	0	0	112.1	D262 Q263 L264 E268 T269 E270 L307	D262-L266 PolarHBondContact O-N 3.18Å; D262-L266 VanDerWaalsContact O-N 3.11Å; Q263-L266 WeakPolarHBondContact O-CB 3.45Å; Q263-L266 PolarHBondContact O-N 3.21Å; L264-L266 VanDerWaalsContact C-N 3.25Å; L264-L266 PolarHBondContact O-N 2.9Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.03Å; L266-T269 PolarHBondContact O-N 3.34Å; L266-E270 PolarHBondContact O-N 3.17Å; L266-E270 VanDerWaalsContact O-N 3.07Å; L266-L307 HydrophobicContact CD2-CD2 3.67Å; L266-L307 HydrophobicContact CG-CD1 4.49Å; L266-L307 HydrophobicContact CG-CD2 4.28Å
267	I	92.2	Very high	92.1	Very high	62 Å²	62	77.6 Å²	77.6	32%	0.318	39%	0.389	S	S	.	.	H	α-helix	trans	-61.8	-42.5	176	-67.6	164.9	0	0	0	110.7	Q263 L264 E270 R271 L307	Q263-I267 HydrophobicContact CG-CD1 4.12Å; Q263-I267 WeakPolarHBondContact O-CG1 3.46Å; Q263-I267 PolarHBondContact O-N 3.41Å; L264-I267 WeakPolarHBondContact O-CA 3.45Å; L264-I267 WeakPolarHBondContact O-CB 3.49Å; L264-I267 PolarHBondContact O-N 3.03Å; I267-E270 PolarHBondContact O-N 2.95Å; I267-R271 VanDerWaalsContact O-CB 3.28Å; I267-R271 WeakPolarHBondContact O-CB 3.49Å; I267-R271 PolarHBondContact O-N 3.27Å; I267-L307 HydrophobicContact CG1-CB 4.28Å
268	E	94.2	Very high	91.4	Very high	85 Å²	85	74 Å²	74	40%	0.397	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-45.4	179.9	-59.9	-161.9	127.9	0	0	111.8	L264 S265 L266 E270 R271 D272	L264-E268 HydrophobicContact CG-CG 4.43Å; L264-E268 VanDerWaalsContact O-CG 3.3Å; L264-E268 WeakPolarHBondContact O-CG 3.27Å; L264-E268 PolarHBondContact O-N 3.44Å; S265-E268 PolarHBondContact O-N 3.42Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.03Å; E268-E270 PolarHBondContact O-N 3.05Å; E268-R271 VanDerWaalsContact CG-NH2 3.26Å; E268-R271 PolarHBondContact O-N 3.2Å; E268-R271 IonicContact OE1-NH2 3.95Å; E268-R271 PolarHBondContact OE1-NH2 2.89Å; E268-D272 PolarHBondContact O-N 3.3Å
269	T	92.2	Very high	91	Very high	78 Å²	78	72 Å²	72	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-47.7	177.4	-56.1	0	0	0	0	111.3	S265 L266 R271 D272 L273	S265-T269 PolarHBondContact O-N 3.27Å; S265-T269 PolarHBondContact O-OG1 3.14Å; L266-T269 PolarHBondContact O-N 3.34Å; T269-R271 PolarHBondContact O-N 2.81Å; T269-D272 PolarHBondContact O-N 3.45Å; T269-L273 WeakPolarHBondContact O-CG 3.14Å; T269-L273 PolarHBondContact O-N 3.19Å; T269-L273 VanDerWaalsContact O-N 3.09Å
270	E	90	Very high	90.5	Very high	27 Å²	27	77 Å²	77	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-65.6	-39.4	180	-172.3	59.5	-143.2	0	0	111.8	L266 I267 E268 D272 L273 I274 K300 I304	L266-E270 PolarHBondContact O-N 3.17Å; L266-E270 VanDerWaalsContact O-N 3.07Å; I267-E270 PolarHBondContact O-N 2.95Å; E268-E270 PolarHBondContact O-N 3.05Å; E270-D272 PolarHBondContact O-N 3.04Å; E270-L273 PolarHBondContact O-N 3.34Å; E270-I274 HydrophobicContact CG-CD1 4.27Å; E270-I274 WeakPolarHBondContact O-CG1 3.48Å; E270-I274 PolarHBondContact O-N 2.78Å; E270-K300 VanDerWaalsContact OE1-CD 3.26Å; E270-K300 WeakPolarHBondContact OE1-CD 3.43Å; E270-K300 WeakPolarHBondContact OE1-CE 3.23Å; E270-K300 IonicContact OE1-NZ 2.84Å; E270-K300 PolarHBondContact OE1-NZ 2.9Å; E270-K300 IonicContact OE2-NZ 3.44Å; E270-K300 PolarHBondContact OE2-NZ 3.36Å; E270-I304 HydrophobicContact CG-CG1 4.27Å
271	R	91.5	Very high	89.8	Confident	98 Å²	98	75.6 Å²	75.6	37%	0.37	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-41.9	175.6	176.8	-177.6	59.3	-172.1	-6.8	112.1	I267 E268 T269 I274 R275	I267-R271 VanDerWaalsContact O-CB 3.28Å; I267-R271 WeakPolarHBondContact O-CB 3.49Å; I267-R271 PolarHBondContact O-N 3.27Å; E268-R271 VanDerWaalsContact CG-NH2 3.26Å; E268-R271 PolarHBondContact O-N 3.2Å; E268-R271 IonicContact OE1-NH2 3.95Å; E268-R271 PolarHBondContact OE1-NH2 2.89Å; T269-R271 PolarHBondContact O-N 2.81Å; R271-I274 PolarHBondContact O-N 2.94Å; R271-R275 WeakPolarHBondContact O-CG 3.22Å; R271-R275 PolarHBondContact O-N 3Å
272	D	93.8	Very high	88.9	Confident	75 Å²	75	79.8 Å²	79.8	40%	0.401	40%	0.397	S	S	.	.	H	α-helix	trans	-71.3	-34.1	-179.5	-69.3	-19.8	0	0	0	111.9	E268 T269 E270 R275 T276	E268-D272 PolarHBondContact O-N 3.3Å; T269-D272 PolarHBondContact O-N 3.45Å; E270-D272 PolarHBondContact O-N 3.04Å; D272-R275 PolarHBondContact O-N 2.93Å; D272-R275 IonicContact OD1-NH1 2.8Å; D272-R275 PolarHBondContact OD1-NH1 2.83Å; D272-T276 WeakPolarHBondContact O-CB 3.33Å; D272-T276 PolarHBondContact O-N 3.25Å; D272-T276 PolarHBondContact O-OG1 3.42Å
273	L	88.9	Confident	88.1	Confident	93 Å²	93	78.4 Å²	78.4	49%	0.487	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-46.3	170.1	-71.2	172	0	0	0	111.5	T269 E270 T276 E277	T269-L273 WeakPolarHBondContact O-CG 3.14Å; T269-L273 PolarHBondContact O-N 3.19Å; T269-L273 VanDerWaalsContact O-N 3.09Å; E270-L273 PolarHBondContact O-N 3.34Å; L273-T276 PolarHBondContact O-N 2.87Å; L273-E277 WeakPolarHBondContact O-CB 3.3Å; L273-E277 PolarHBondContact O-N 3.38Å
274	I	87.1	Confident	87.3	Confident	44 Å²	44	80.1 Å²	80.1	23%	0.226	42%	0.418	C	S	.	.	H	α-helix	trans	-65.2	-42.3	178.3	-66.1	164.8	0	0	0	111.1	E270 R271 E277 C278 I304	E270-I274 HydrophobicContact CG-CD1 4.27Å; E270-I274 WeakPolarHBondContact O-CG1 3.48Å; E270-I274 PolarHBondContact O-N 2.78Å; R271-I274 PolarHBondContact O-N 2.94Å; I274-E277 PolarHBondContact O-N 2.91Å; I274-C278 WeakPolarHBondContact O-CB 3.19Å; I274-C278 PolarHBondContact O-N 2.98Å; I274-C278 PolarHBondContact O-SG 2.85Å; I274-I304 HydrophobicContact CD1-CD1 3.5Å; I274-I304 VanDerWaalsContact CD1-CD1 3.5Å
275	R	89.3	Confident	86.2	Confident	137 Å²	137	84.3 Å²	84.3	52%	0.517	44%	0.437	S	S	.	.	H	α-helix	trans	-59.5	-47.8	176.1	-76.8	171.2	171.3	177	-6.8	111.8	R271 D272 E277 C278 D279	R271-R275 WeakPolarHBondContact O-CG 3.22Å; R271-R275 PolarHBondContact O-N 3Å; D272-R275 PolarHBondContact O-N 2.93Å; D272-R275 IonicContact OD1-NH1 2.8Å; D272-R275 PolarHBondContact OD1-NH1 2.83Å; R275-E277 VanDerWaalsContact C-N 3.3Å; R275-E277 PolarHBondContact O-N 3.27Å; R275-C278 WeakPolarHBondContact O-CB 3.3Å; R275-C278 PolarHBondContact O-N 3.3Å; R275-D279 PolarHBondContact O-N 3.43Å
276	T	88.2	Confident	85.7	Confident	96 Å²	96	85.6 Å²	85.6	59%	0.589	44%	0.439	S	S	*	.	H	α-helix	trans	-58.6	-44.1	177.6	-52.3	0	0	0	0	111.3	D272 L273 D279 R280	D272-T276 WeakPolarHBondContact O-CB 3.33Å; D272-T276 PolarHBondContact O-N 3.25Å; D272-T276 PolarHBondContact O-OG1 3.42Å; L273-T276 PolarHBondContact O-N 2.87Å; T276-D279 PolarHBondContact O-N 3.41Å; T276-R280 PolarHBondContact O-N 2.91Å
277	E	82.6	Confident	85.4	Confident	40 Å²	40	87.1 Å²	87.1	19%	0.187	45%	0.451	C	S	.	.	H	α-helix	trans	-66.6	-43.7	178.2	-178.2	58.4	-168.2	0	0	111.9	L273 I274 R275 D279 R280 L281 Y296	L273-E277 WeakPolarHBondContact O-CB 3.3Å; L273-E277 PolarHBondContact O-N 3.38Å; I274-E277 PolarHBondContact O-N 2.91Å; R275-E277 VanDerWaalsContact C-N 3.3Å; R275-E277 PolarHBondContact O-N 3.27Å; E277-D279 VanDerWaalsContact C-N 3.34Å; E277-D279 PolarHBondContact O-N 2.86Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 3.26Å; E277-R280 IonicContact OE1-CZ 3.55Å; E277-R280 IonicContact OE1-NE 2.7Å; E277-R280 IonicContact OE1-NH2 3.44Å; E277-R280 PolarHBondContact OE1-NH2 3.04Å; E277-R280 IonicContact OE2-CZ 3.19Å; E277-R280 IonicContact OE2-NE 3.91Å; E277-R280 PolarHBondContact OE2-NE 3.47Å; E277-R280 IonicContact OE2-NH2 3.41Å; E277-R280 PolarHBondContact OE2-NH2 3.39Å; E277-L281 HydrophobicContact CG-CD1 3.96Å; E277-L281 VanDerWaalsContact O-CD1 3.27Å; E277-L281 WeakPolarHBondContact O-CD1 3.37Å; E277-L281 VanDerWaalsContact O-CG 3.26Å; E277-L281 WeakPolarHBondContact O-CG 3.09Å; E277-L281 PolarHBondContact O-N 3.28Å; E277-Y296 HydrophobicContact CG-CE1 4.32Å
278	C	82.6	Confident	85.1	Confident	55 Å²	55	93 Å²	93	37%	0.372	47%	0.47	S	S	.	.	H	α-helix	trans	-57.8	-43.8	173.9	-77.2	0	0	0	0	112.3	I274 R275 L281 K282	I274-C278 WeakPolarHBondContact O-CB 3.19Å; I274-C278 PolarHBondContact O-N 2.98Å; I274-C278 PolarHBondContact O-SG 2.85Å; R275-C278 WeakPolarHBondContact O-CB 3.3Å; R275-C278 PolarHBondContact O-N 3.3Å; C278-L281 PolarHBondContact O-N 2.86Å; C278-K282 PolarHBondContact O-N 3.03Å
279	D	86.6	Confident	84.6	Confident	97 Å²	97	90.5 Å²	90.5	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-66	-38.6	178.3	-75.1	-27.5	0	0	0	112	R275 T276 E277 L281 K282	R275-D279 PolarHBondContact O-N 3.43Å; T276-D279 PolarHBondContact O-N 3.41Å; E277-D279 VanDerWaalsContact C-N 3.34Å; E277-D279 PolarHBondContact O-N 2.86Å; D279-L281 PolarHBondContact O-N 2.82Å; D279-K282 PolarHBondContact O-N 3.44Å; D279-K282 WeakPolarHBondContact OD1-CE 3.48Å; D279-K282 IonicContact OD1-NZ 3.49Å; D279-K282 PolarHBondContact OD1-NZ 3.22Å
280	R	81.9	Confident	84.2	Confident	145 Å²	145	90.2 Å²	90.2	55%	0.547	46%	0.456	S	S	.	.	H	α-helix	trans	-59.3	-30	173.7	-166.4	-173.4	68.8	72.1	-2.2	112.5	T276 E277	T276-R280 PolarHBondContact O-N 2.91Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 3.26Å; E277-R280 IonicContact OE1-CZ 3.55Å; E277-R280 IonicContact OE1-NE 2.7Å; E277-R280 IonicContact OE1-NH2 3.44Å; E277-R280 PolarHBondContact OE1-NH2 3.04Å; E277-R280 IonicContact OE2-CZ 3.19Å; E277-R280 IonicContact OE2-NE 3.91Å; E277-R280 PolarHBondContact OE2-NE 3.47Å; E277-R280 IonicContact OE2-NH2 3.41Å; E277-R280 PolarHBondContact OE2-NH2 3.39Å
281	L	78.4	Confident	84.2	Confident	32 Å²	32	93 Å²	93	17%	0.168	48%	0.475	C	S	.	.	H	α-helix	trans	-93.1	-17.5	-172.4	-70.9	161.6	0	0	0	114.8	E277 C278 D279 G283 V284 T293	E277-L281 HydrophobicContact CG-CD1 3.96Å; E277-L281 VanDerWaalsContact O-CD1 3.27Å; E277-L281 WeakPolarHBondContact O-CD1 3.37Å; E277-L281 VanDerWaalsContact O-CG 3.26Å; E277-L281 WeakPolarHBondContact O-CG 3.09Å; E277-L281 PolarHBondContact O-N 3.28Å; C278-L281 PolarHBondContact O-N 2.86Å; D279-L281 PolarHBondContact O-N 2.82Å; L281-G283 PolarHBondContact O-N 3.07Å; L281-V284 HydrophobicContact CD2-CG2 4.32Å; L281-V284 PolarHBondContact O-N 3.46Å; L281-T293 HydrophobicContact CD1-CG2 3.27Å; L281-T293 HydrophobicContact CD2-CG2 4.27Å; L281-T293 WeakPolarHBondContact CD2-OG1 3.33Å; L281-T293 HydrophobicContact CG-CG2 4.39Å
282	K	77.3	Confident	83.9	Confident	167 Å²	167	95.6 Å²	95.6	73%	0.726	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.8	-178.2	-79.9	172.8	-178.6	162.8	0	114.7	C278 D279	C278-K282 PolarHBondContact O-N 3.03Å; D279-K282 PolarHBondContact O-N 3.44Å; D279-K282 WeakPolarHBondContact OD1-CE 3.48Å; D279-K282 IonicContact OD1-NZ 3.49Å; D279-K282 PolarHBondContact OD1-NZ 3.22Å
283	G	78.8	Confident	83.5	Confident	70 Å²	70	92.9 Å²	92.9	72%	0.722	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	0.6	177.7	0	0	0	0	0	115.8	L281	L281-G283 PolarHBondContact O-N 3.07Å
284	V	75.2	Confident	83.5	Confident	50 Å²	50	92.7 Å²	92.7	30%	0.303	47%	0.474	S	S	.	.			trans	-91.4	118	-172.2	-176	0	0	0	0	110.6	L281 S289	L281-V284 HydrophobicContact CD2-CG2 4.32Å; L281-V284 PolarHBondContact O-N 3.46Å; V284-S289 WeakPolarHBondContact CG1-OG 3.41Å
285	M	73	Confident	83.6	Confident	181 Å²	181	93.7 Å²	93.7	89%	0.892	49%	0.485	S	S	*	.			trans	-105.4	5.6	-179	-63.8	-176.8	68.8	0	0	114.3
286	D	84.7	Confident	83.4	Confident	90 Å²	90	92 Å²	92	48%	0.481	48%	0.479	S	S	.	.			trans	-84.4	119.5	178.5	169.4	48.8	0	0	0	111.8	R288 S289 I290	D286-R288 VanDerWaalsContact C-N 3.26Å; D286-R288 PolarHBondContact O-N 2.94Å; D286-R288 PolarHBondContact OD1-N 2.94Å; D286-S289 PolarHBondContact O-N 2.79Å; D286-S289 PolarHBondContact O-OG 3.42Å; D286-S289 WeakPolarHBondContact OD2-CB 3.06Å; D286-S289 PolarHBondContact OD2-N 2.76Å; D286-S289 PolarHBondContact OD2-OG 3.08Å; D286-I290 WeakPolarHBondContact O-CG1 3.48Å; D286-I290 PolarHBondContact O-N 2.85Å
287	V	85.3	Confident	83.4	Confident	107 Å²	107	89.7 Å²	89.7	65%	0.648	46%	0.463	S	S	*	.	H	α-helix	trans	-57.3	-37.3	-178.3	179.9	0	0	0	0	112.4	I290 T291	V287-I290 PolarHBondContact O-N 3.25Å; V287-T291 PolarHBondContact O-N 3.22Å; V287-T291 PolarHBondContact O-OG1 2.94Å
288	R	86.3	Confident	83.7	Confident	187 Å²	187	91.7 Å²	91.7	71%	0.706	48%	0.475	S	S	*	.	H	α-helix	trans	-68.1	-42.8	-178.8	-171.8	-179	-66.4	-164.4	-0.4	111.1	D286 T291 K292	D286-R288 VanDerWaalsContact C-N 3.26Å; D286-R288 PolarHBondContact O-N 2.94Å; D286-R288 PolarHBondContact OD1-N 2.94Å; R288-T291 PolarHBondContact O-N 2.97Å; R288-K292 PolarHBondContact O-N 2.98Å; R288-K292 VanDerWaalsContact O-N 3.16Å
289	S	83.2	Confident	84	Confident	31 Å²	31	93.9 Å²	93.9	22%	0.217	48%	0.483	C	S	.	.	H	α-helix	trans	-63	-43	174.7	70.7	0	0	0	0	112.4	V284 D286 T291 K292 T293	V284-S289 WeakPolarHBondContact CG1-OG 3.41Å; D286-S289 PolarHBondContact O-N 2.79Å; D286-S289 PolarHBondContact O-OG 3.42Å; D286-S289 WeakPolarHBondContact OD2-CB 3.06Å; D286-S289 PolarHBondContact OD2-N 2.76Å; D286-S289 PolarHBondContact OD2-OG 3.08Å; S289-T291 VanDerWaalsContact C-N 3.34Å; S289-T291 PolarHBondContact O-N 3.13Å; S289-K292 PolarHBondContact O-N 2.93Å; S289-T293 PolarHBondContact O-N 2.82Å; S289-T293 PolarHBondContact O-OG1 2.76Å
290	I	84.5	Confident	84	Confident	73 Å²	73	91.3 Å²	91.3	37%	0.374	47%	0.467	S	S	.	.	H	α-helix	trans	-60.3	-44.9	176.7	-65.4	166.1	0	0	0	110.7	D286 V287 K292 T293 I294	D286-I290 WeakPolarHBondContact O-CG1 3.48Å; D286-I290 PolarHBondContact O-N 2.85Å; V287-I290 PolarHBondContact O-N 3.25Å; I290-K292 PolarHBondContact O-N 2.89Å; I290-T293 WeakPolarHBondContact O-CB 3.1Å; I290-T293 PolarHBondContact O-N 2.49Å; I290-I294 HydrophobicContact CG2-CD1 3.91Å; I290-I294 HydrophobicContact CG2-CG1 4.44Å; I290-I294 WeakPolarHBondContact O-CG1 3.47Å; I290-I294 PolarHBondContact O-N 2.86Å
291	T	88.9	Confident	84.3	Confident	85 Å²	85	89.4 Å²	89.4	52%	0.521	47%	0.467	S	S	.	.	H	α-helix	trans	-63.1	-42.2	-179.9	-52.2	0	0	0	0	111.9	V287 R288 S289 T293 I294 S295	V287-T291 PolarHBondContact O-N 3.22Å; V287-T291 PolarHBondContact O-OG1 2.94Å; R288-T291 PolarHBondContact O-N 2.97Å; S289-T291 VanDerWaalsContact C-N 3.34Å; S289-T291 PolarHBondContact O-N 3.13Å; T291-T293 VanDerWaalsContact C-N 3.34Å; T291-T293 PolarHBondContact O-N 2.74Å; T291-I294 PolarHBondContact O-N 2.96Å; T291-S295 PolarHBondContact O-N 3.23Å; T291-S295 VanDerWaalsContact O-N 3.09Å
292	K	86.3	Confident	84.6	Confident	152 Å²	152	93.5 Å²	93.5	66%	0.661	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-42.4	175.1	-76.1	-176.3	177.4	-174.2	0	111.9	R288 S289 I290 S295 Y296	R288-K292 PolarHBondContact O-N 2.98Å; R288-K292 VanDerWaalsContact O-N 3.16Å; S289-K292 PolarHBondContact O-N 2.93Å; I290-K292 PolarHBondContact O-N 2.89Å; K292-S295 WeakPolarHBondContact O-CB 3.47Å; K292-S295 PolarHBondContact O-N 2.9Å; K292-Y296 PolarHBondContact O-N 3.43Å
293	T	84.5	Confident	84.9	Confident	19 Å²	19	89 Å²	89	12%	0.117	48%	0.479	C	S	.	.	H	α-helix	trans	-61.6	-43.9	175.2	-68.6	0	0	0	0	111.8	L281 S289 I290 T291 S295 Y296 L297	L281-T293 HydrophobicContact CD1-CG2 3.27Å; L281-T293 HydrophobicContact CD2-CG2 4.27Å; L281-T293 WeakPolarHBondContact CD2-OG1 3.33Å; L281-T293 HydrophobicContact CG-CG2 4.39Å; S289-T293 PolarHBondContact O-N 2.82Å; S289-T293 PolarHBondContact O-OG1 2.76Å; I290-T293 WeakPolarHBondContact O-CB 3.1Å; I290-T293 PolarHBondContact O-N 2.49Å; T291-T293 VanDerWaalsContact C-N 3.34Å; T291-T293 PolarHBondContact O-N 2.74Å; T293-S295 VanDerWaalsContact C-N 3.28Å; T293-S295 PolarHBondContact O-N 3.13Å; T293-Y296 PolarHBondContact O-N 2.95Å; T293-L297 HydrophobicContact CG2-CD1 3.89Å; T293-L297 HydrophobicContact CG2-CG 4.22Å; T293-L297 WeakPolarHBondContact O-CB 3.31Å; T293-L297 WeakPolarHBondContact O-CG 3.31Å; T293-L297 PolarHBondContact O-N 2.72Å
294	I	88.3	Confident	85.3	Confident	89 Å²	89	87.9 Å²	87.9	46%	0.456	46%	0.456	S	S	.	.	H	α-helix	trans	-58.8	-44.2	177.1	-69.6	166.1	0	0	0	110.2	I290 T291 Y296 L297 N298	I290-I294 HydrophobicContact CG2-CD1 3.91Å; I290-I294 HydrophobicContact CG2-CG1 4.44Å; I290-I294 WeakPolarHBondContact O-CG1 3.47Å; I290-I294 PolarHBondContact O-N 2.86Å; T291-I294 PolarHBondContact O-N 2.96Å; I294-Y296 PolarHBondContact O-N 3.34Å; I294-L297 PolarHBondContact O-N 2.89Å; I294-N298 WeakPolarHBondContact O-CB 3.38Å; I294-N298 VanDerWaalsContact O-CG 3.25Å; I294-N298 PolarHBondContact O-N 3.01Å; I294-N298 PolarHBondContact O-ND2 3.31Å
295	S	89.4	Confident	85.6	Confident	65 Å²	65	89.3 Å²	89.3	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-58.5	-48.9	175	-166.4	0	0	0	0	111.7	T291 K292 T293 L297 N298 D299	T291-S295 PolarHBondContact O-N 3.23Å; T291-S295 VanDerWaalsContact O-N 3.09Å; K292-S295 WeakPolarHBondContact O-CB 3.47Å; K292-S295 PolarHBondContact O-N 2.9Å; T293-S295 VanDerWaalsContact C-N 3.28Å; T293-S295 PolarHBondContact O-N 3.13Å; S295-L297 VanDerWaalsContact C-N 3.33Å; S295-L297 PolarHBondContact O-N 2.74Å; S295-N298 WeakPolarHBondContact O-CB 3.32Å; S295-N298 PolarHBondContact O-N 3.23Å; S295-D299 VanDerWaalsContact O-CG 3.28Å; S295-D299 PolarHBondContact O-N 2.91Å
296	Y	86.4	Confident	85.8	Confident	100 Å²	100	82.1 Å²	82.1	39%	0.392	44%	0.44	S	S	.	.	H	α-helix	trans	-59.9	-41.5	177	168.6	-100.9	0	0	0	112.8	E277 K292 T293 I294 D299 K300	E277-Y296 HydrophobicContact CG-CE1 4.32Å; K292-Y296 PolarHBondContact O-N 3.43Å; T293-Y296 PolarHBondContact O-N 2.95Å; I294-Y296 PolarHBondContact O-N 3.34Å; Y296-D299 PolarHBondContact O-N 3.23Å; Y296-K300 HydrophobicContact CE1-CG 4.06Å; Y296-K300 HydrophobicContact CE2-CG 4.04Å; Y296-K300 WeakPolarHBondContact O-CB 3.06Å; Y296-K300 PolarHBondContact O-N 2.84Å; Y296-K300 VanDerWaalsContact OH-CE 3.24Å; Y296-K300 WeakPolarHBondContact OH-CE 3.24Å
297	L	87.2	Confident	85.7	Confident	49 Å²	49	78.9 Å²	78.9	26%	0.257	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-35.7	177	-72.8	175.3	0	0	0	111.8	T293 I294 S295 K300 L301	T293-L297 HydrophobicContact CG2-CD1 3.89Å; T293-L297 HydrophobicContact CG2-CG 4.22Å; T293-L297 WeakPolarHBondContact O-CB 3.31Å; T293-L297 WeakPolarHBondContact O-CG 3.31Å; T293-L297 PolarHBondContact O-N 2.72Å; I294-L297 PolarHBondContact O-N 2.89Å; S295-L297 VanDerWaalsContact C-N 3.33Å; S295-L297 PolarHBondContact O-N 2.74Å; L297-K300 CarbonylContact O-C 3.6Å; L297-K300 PolarHBondContact O-N 3.5Å; L297-L301 WeakPolarHBondContact O-CB 3.36Å; L297-L301 VanDerWaalsContact O-CG 3.24Å; L297-L301 WeakPolarHBondContact O-CG 3.42Å; L297-L301 PolarHBondContact O-N 2.79Å
298	N	90	Very high	85.6	Confident	82 Å²	82	78.8 Å²	78.8	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-64	-46.3	172.6	-71.2	-25.1	0	0	0	110.9	I294 S295 K300 L301 D302	I294-N298 WeakPolarHBondContact O-CB 3.38Å; I294-N298 VanDerWaalsContact O-CG 3.25Å; I294-N298 PolarHBondContact O-N 3.01Å; I294-N298 PolarHBondContact O-ND2 3.31Å; S295-N298 WeakPolarHBondContact O-CB 3.32Å; S295-N298 PolarHBondContact O-N 3.23Å; N298-K300 PolarHBondContact O-N 2.87Å; N298-L301 WeakPolarHBondContact O-CB 3.13Å; N298-L301 PolarHBondContact O-N 3.48Å; N298-L301 VanDerWaalsContact O-N 3.12Å; N298-D302 PolarHBondContact O-N 3.5Å
299	D	87.8	Confident	85.5	Confident	100 Å²	100	73.6 Å²	73.6	54%	0.535	41%	0.406	S	S	.	.	H	α-helix	trans	-59.6	-37.4	175.2	-60.9	-25.5	0	0	0	111.4	S295 Y296 S303	S295-D299 VanDerWaalsContact O-CG 3.28Å; S295-D299 PolarHBondContact O-N 2.91Å; Y296-D299 PolarHBondContact O-N 3.23Å; D299-S303 PolarHBondContact O-N 3.36Å; D299-S303 VanDerWaalsContact O-N 3.13Å
300	K	86.5	Confident	85.7	Confident	43 Å²	43	74.5 Å²	74.5	19%	0.187	41%	0.411	C	S	.	.	H	α-helix	trans	-70.3	-40.3	174.2	-82.7	-63.9	-163.8	168.7	0	113.1	E270 Y296 L297 N298 D302 S303 I304	E270-K300 VanDerWaalsContact OE1-CD 3.26Å; E270-K300 WeakPolarHBondContact OE1-CD 3.43Å; E270-K300 WeakPolarHBondContact OE1-CE 3.23Å; E270-K300 IonicContact OE1-NZ 2.84Å; E270-K300 PolarHBondContact OE1-NZ 2.9Å; E270-K300 IonicContact OE2-NZ 3.44Å; E270-K300 PolarHBondContact OE2-NZ 3.36Å; Y296-K300 HydrophobicContact CE1-CG 4.06Å; Y296-K300 HydrophobicContact CE2-CG 4.04Å; Y296-K300 WeakPolarHBondContact O-CB 3.06Å; Y296-K300 PolarHBondContact O-N 2.84Å; Y296-K300 VanDerWaalsContact OH-CE 3.24Å; Y296-K300 WeakPolarHBondContact OH-CE 3.24Å; L297-K300 CarbonylContact O-C 3.6Å; L297-K300 PolarHBondContact O-N 3.5Å; N298-K300 PolarHBondContact O-N 2.87Å; K300-D302 VanDerWaalsContact C-N 3.25Å; K300-D302 PolarHBondContact O-N 3.02Å; K300-S303 CarbonylContact O-C 3.57Å; K300-S303 WeakPolarHBondContact O-CA 3.45Å; K300-S303 WeakPolarHBondContact O-CB 3.34Å; K300-S303 PolarHBondContact O-N 3.06Å; K300-S303 VanDerWaalsContact O-N 3.1Å; K300-I304 WeakPolarHBondContact O-CB 3.35Å; K300-I304 WeakPolarHBondContact O-CD1 3.33Å; K300-I304 WeakPolarHBondContact O-CG1 3.39Å; K300-I304 PolarHBondContact O-N 3.2Å
301	L	87.9	Confident	85.8	Confident	105 Å²	105	76 Å²	76	55%	0.55	41%	0.412	S	S	.	.	H	α-helix	trans	-59.3	-40.9	174.5	-77.1	168.6	0	0	0	110.7	L297 N298 S303 I304 S305	L297-L301 WeakPolarHBondContact O-CB 3.36Å; L297-L301 VanDerWaalsContact O-CG 3.24Å; L297-L301 WeakPolarHBondContact O-CG 3.42Å; L297-L301 PolarHBondContact O-N 2.79Å; N298-L301 WeakPolarHBondContact O-CB 3.13Å; N298-L301 PolarHBondContact O-N 3.48Å; N298-L301 VanDerWaalsContact O-N 3.12Å; L301-S303 VanDerWaalsContact C-N 3.33Å; L301-S303 PolarHBondContact O-N 3.16Å; L301-I304 PolarHBondContact O-N 2.91Å; L301-S305 PolarHBondContact O-N 2.93Å
302	D	86	Confident	85.7	Confident	119 Å²	119	73.8 Å²	73.8	64%	0.636	40%	0.396	S	S	*	.	H	α-helix	trans	-61.5	-42	173.8	-70.8	-20.4	0	0	0	111.2	N298 K300 S305	N298-D302 PolarHBondContact O-N 3.5Å; K300-D302 VanDerWaalsContact C-N 3.25Å; K300-D302 PolarHBondContact O-N 3.02Å; D302-S305 WeakPolarHBondContact O-CB 3.35Å; D302-S305 PolarHBondContact O-OG 3.43Å
303	S	83.1	Confident	85.9	Confident	73 Å²	73	67.6 Å²	67.6	51%	0.51	37%	0.37	S	S	.	.	H	α-helix	trans	-66.6	-37.5	174	-175.8	0	0	0	0	113.7	D299 K300 L301 S305 G306	D299-S303 PolarHBondContact O-N 3.36Å; D299-S303 VanDerWaalsContact O-N 3.13Å; K300-S303 CarbonylContact O-C 3.57Å; K300-S303 WeakPolarHBondContact O-CA 3.45Å; K300-S303 WeakPolarHBondContact O-CB 3.34Å; K300-S303 PolarHBondContact O-N 3.06Å; K300-S303 VanDerWaalsContact O-N 3.1Å; L301-S303 VanDerWaalsContact C-N 3.33Å; L301-S303 PolarHBondContact O-N 3.16Å; S303-S305 VanDerWaalsContact C-N 3.29Å; S303-S305 PolarHBondContact O-N 2.98Å; S303-G306 PolarHBondContact O-N 3.46Å
304	I	86.5	Confident	86.1	Confident	46 Å²	46	71.3 Å²	71.3	24%	0.236	40%	0.402	C	S	.	.	H	α-helix	trans	-72.4	-25.3	-178.2	-68.1	159.3	0	0	0	111.2	E270 I274 K300 L301 G306 L307 T308	E270-I304 HydrophobicContact CG-CG1 4.27Å; I274-I304 HydrophobicContact CD1-CD1 3.5Å; I274-I304 VanDerWaalsContact CD1-CD1 3.5Å; K300-I304 WeakPolarHBondContact O-CB 3.35Å; K300-I304 WeakPolarHBondContact O-CD1 3.33Å; K300-I304 WeakPolarHBondContact O-CG1 3.39Å; K300-I304 PolarHBondContact O-N 3.2Å; L301-I304 PolarHBondContact O-N 2.91Å; I304-G306 PolarHBondContact O-N 3.2Å; I304-G306 VanDerWaalsContact O-N 3.08Å; I304-L307 WeakPolarHBondContact O-CA 3.35Å; I304-L307 WeakPolarHBondContact O-CB 3.41Å; I304-L307 PolarHBondContact O-N 3.47Å; I304-T308 PolarHBondContact O-N 3.02Å
305	S	81.2	Confident	86.2	Confident	80 Å²	80	69.3 Å²	69.3	56%	0.559	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-54.1	-28.4	174.5	76.2	0	0	0	0	112.8	L301 D302 S303 L307 T308	L301-S305 PolarHBondContact O-N 2.93Å; D302-S305 WeakPolarHBondContact O-CB 3.35Å; D302-S305 PolarHBondContact O-OG 3.43Å; S303-S305 VanDerWaalsContact C-N 3.29Å; S303-S305 PolarHBondContact O-N 2.98Å; S305-L307 VanDerWaalsContact C-N 3.32Å; S305-L307 PolarHBondContact O-N 3.49Å; S305-T308 PolarHBondContact O-OG1 3.38Å; S305-T308 VanDerWaalsContact O-OG1 3.05Å
306	G	78.1	Confident	86.2	Confident	29 Å²	29	68.8 Å²	68.8	30%	0.299	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-82.8	3.4	173.5	0	0	0	0	0	115.7	S303 I304 Y444	S303-G306 PolarHBondContact O-N 3.46Å; I304-G306 PolarHBondContact O-N 3.2Å; I304-G306 VanDerWaalsContact O-N 3.08Å; G306-Y444 PolarHBondContact O-OH 3.29Å
307	L	82.2	Confident	86.3	Confident	23 Å²	23	66.7 Å²	66.7	12%	0.12	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-115.6	-5.6	177.7	-63.7	177.7	0	0	0	112.9	L266 I267 I304 S305 E309	L266-L307 HydrophobicContact CD2-CD2 3.67Å; L266-L307 HydrophobicContact CG-CD1 4.49Å; L266-L307 HydrophobicContact CG-CD2 4.28Å; I267-L307 HydrophobicContact CG1-CB 4.28Å; I304-L307 WeakPolarHBondContact O-CA 3.35Å; I304-L307 WeakPolarHBondContact O-CB 3.41Å; I304-L307 PolarHBondContact O-N 3.47Å; S305-L307 VanDerWaalsContact C-N 3.32Å; S305-L307 PolarHBondContact O-N 3.49Å; L307-E309 VanDerWaalsContact C-N 3.31Å; L307-E309 PolarHBondContact O-N 2.78Å
308	T	83.7	Confident	86.4	Confident	105 Å²	105	69.7 Å²	69.7	64%	0.644	39%	0.391	S	S	*	.	S	Bend	trans	-68.2	-30.3	-175.6	54.3	0	0	0	0	113.1	I304 S305	I304-T308 PolarHBondContact O-N 3.02Å; S305-T308 PolarHBondContact O-OG1 3.38Å; S305-T308 VanDerWaalsContact O-OG1 3.05Å
309	E	83.8	Confident	86.1	Confident	77 Å²	77	68.3 Å²	68.3	36%	0.36	38%	0.382	S	S	.	.	S	Bend	trans	-110.4	144	-178.9	-67.8	-156.7	-158.7	0	0	112.4	Q263 L307 R311 Y417	Q263-E309 PolarHBondContact NE2-O 3.23Å; L307-E309 VanDerWaalsContact C-N 3.31Å; L307-E309 PolarHBondContact O-N 2.78Å; E309-R311 PolarHBondContact O-N 3.03Å; E309-Y417 HydrophobicContact CB-CE2 4.03Å; E309-Y417 VanDerWaalsContact CB-OH 3.3Å; E309-Y417 WeakPolarHBondContact CB-OH 3.5Å; E309-Y417 WeakPolarHBondContact OE2-CE2 3.34Å; E309-Y417 PolarHBondContact OE2-OH 3.38Å
310	P	87.8	Confident	85.6	Confident	50 Å²	50	68.1 Å²	68.1	33%	0.325	38%	0.38	S	S	.	.			trans	-66.6	131.3	178.4	28.9	-34.6	0	0	0	110.4	L260 E312	L260-P310 HydrophobicContact CD2-CB 3.96Å; P310-E312 VanDerWaalsContact C-N 3.26Å; P310-E312 PolarHBondContact O-N 3.27Å
311	R	85.6	Confident	84.4	Confident	106 Å²	106	69 Å²	69	40%	0.4	39%	0.391	S	S	.	.	S	Bend	trans	-72	-22.2	-180	-65.8	-176.1	176	176.6	0.6	113	E309 Y444	E309-R311 PolarHBondContact O-N 3.03Å; R311-Y444 HydrophobicContact CB-CD1 4.15Å; R311-Y444 HydrophobicContact CB-CD2 4.29Å; R311-Y444 HydrophobicContact CB-CE1 4.47Å; R311-Y444 HydrophobicContact CB-CG 4.07Å; R311-Y444 HydrophobicContact CG-CD1 3.81Å; R311-Y444 HydrophobicContact CG-CD2 4.03Å; R311-Y444 HydrophobicContact CG-CE1 3.64Å; R311-Y444 HydrophobicContact CG-CE2 3.83Å; R311-Y444 HydrophobicContact CG-CG 4.03Å
312	E	88.5	Confident	82.7	Confident	37 Å²	37	69.9 Å²	69.9	17%	0.173	40%	0.401	C	S	.	.	S	Bend	trans	-123.2	147	177.6	-176.9	55.2	-93	0	0	109.9	K256 A259 L260 P310	K256-E312 HydrophobicContact CB-CG 4.06Å; K256-E312 HydrophobicContact CG-CG 3.82Å; K256-E312 IonicContact NZ-OE1 2.63Å; K256-E312 PolarHBondContact NZ-OE1 2.7Å; A259-E312 HydrophobicContact CB-CB 4.05Å; A259-E312 HydrophobicContact CB-CG 4.3Å; L260-E312 HydrophobicContact CD2-CB 4.22Å; L260-E312 WeakPolarHBondContact CD2-O 3.16Å; L260-E312 HydrophobicContact CG-CB 4.32Å; P310-E312 VanDerWaalsContact C-N 3.26Å; P310-E312 PolarHBondContact O-N 3.27Å
313	N	88.5	Confident	80.8	Confident	22 Å²	22	66 Å²	66	12%	0.118	39%	0.389	C	S	.	.			trans	-102	162.6	178.1	69.6	59.7	0	0	0	111.6	K256 F315 S414 T415 T416 L500	K256-N313 WeakPolarHBondContact CD-O 3.32Å; K256-N313 PolarHBondContact NZ-O 2.88Å; K256-N313 PolarHBondContact NZ-OD1 2.72Å; N313-F315 VanDerWaalsContact C-N 3.32Å; N313-F315 PolarHBondContact O-N 3.34Å; N313-F315 WeakPolarHBondContact OD1-CB 3.4Å; N313-F315 PolarHBondContact OD1-N 3.04Å; N313-S414 VanDerWaalsContact CG-O 3.28Å; N313-S414 PolarHBondContact ND2-O 3.27Å; N313-S414 PolarHBondContact OD1-O 2.91Å; N313-T415 WeakPolarHBondContact ND2-CA 3.12Å; N313-T416 PolarHBondContact ND2-N 3.22Å; N313-T416 PolarHBondContact ND2-O 3.01Å; N313-L500 HydrophobicContact CB-CD1 4.14Å
314	A	90.6	Very high	78.7	Confident	97 Å²	97	68.4 Å²	68.4	80%	0.802	40%	0.403	S	S	*	.			trans	-87.1	10.4	-179.1	0	0	0	0	0	114.4	L316	A314-L316 PolarHBondContact O-N 3.29Å
315	F	89.5	Confident	76.1	Confident	47 Å²	47	75 Å²	75	21%	0.206	43%	0.426	C	S	.	.			trans	-80.4	117.5	-172.3	-178.4	-100.1	0	0	0	112.6	K256 N313 C317 V412 T454 P456 L500	K256-F315 VanDerWaalsContact CE-O 3.25Å; K256-F315 WeakPolarHBondContact CE-O 3.35Å; N313-F315 VanDerWaalsContact C-N 3.32Å; N313-F315 PolarHBondContact O-N 3.34Å; N313-F315 WeakPolarHBondContact OD1-CB 3.4Å; N313-F315 PolarHBondContact OD1-N 3.04Å; F315-C317 HydrophobicContact CE2-CB 4.07Å; F315-C317 HydrophobicContact CZ-CB 3.89Å; F315-V412 HydrophobicContact CE1-CB 4.34Å; F315-V412 HydrophobicContact CE1-CG1 3.9Å; F315-V412 HydrophobicContact CZ-CG1 4.37Å; F315-T454 WeakPolarHBondContact CE1-O 3.16Å; F315-P456 HydrophobicContact CD1-CG 4.37Å; F315-P456 HydrophobicContact CD2-CG 3.88Å; F315-P456 HydrophobicContact CE1-CG 4.07Å; F315-P456 HydrophobicContact CE2-CB 3.94Å; F315-P456 HydrophobicContact CE2-CG 3.56Å; F315-P456 HydrophobicContact CG-CG 4.28Å; F315-P456 HydrophobicContact CZ-CB 3.92Å; F315-P456 HydrophobicContact CZ-CG 3.66Å; F315-L500 HydrophobicContact CB-CD2 3.24Å; F315-L500 HydrophobicContact CD1-CD2 4.06Å; F315-L500 HydrophobicContact CD2-CD2 3.76Å; F315-L500 HydrophobicContact CG-CD2 3.42Å; F315-L500 VanDerWaalsContact CG-CD2 3.42Å
316	L	89.3	Confident	73.7	Confident	55 Å²	55	76.7 Å²	76.7	29%	0.288	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	118	174	175	61	0	0	0	106.6	V249 I252 A314 L411 V413	V249-L316 HydrophobicContact CG1-CD2 4.1Å; I252-L316 HydrophobicContact CB-CD1 4.42Å; I252-L316 HydrophobicContact CG2-CD1 3.97Å; A314-L316 PolarHBondContact O-N 3.29Å; L316-L411 HydrophobicContact CD1-CB 4.42Å; L316-V413 HydrophobicContact CD1-CG2 3.77Å
317	C	88.7	Confident	71.6	Confident	56 Å²	56	79.3 Å²	79.3	38%	0.378	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.9	-175.2	-171.8	0	0	0	0	110.7	F315 L411 V412	F315-C317 HydrophobicContact CE2-CB 4.07Å; F315-C317 HydrophobicContact CZ-CB 3.89Å; C317-L411 CarbonylContact O-C 3.6Å; C317-L411 WeakPolarHBondContact O-CA 3.42Å; C317-V412 PolarHBondContact N-O 3.1Å; C317-V412 PolarHBondContact O-N 3.16Å
318	Y	89.4	Confident	69.1	Low	112 Å²	112	83.1 Å²	83.1	44%	0.439	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.3	171	171.9	-98	0	0	0	109.9	L245 D320 G409 L411	L245-Y318 HydrophobicContact CD1-CE2 4.01Å; Y318-D320 HydrophobicContact CE1-CB 4.05Å; Y318-G409 WeakPolarHBondContact OH-CA 3.49Å; Y318-L411 HydrophobicContact CD2-CD2 4.26Å
319	Q	83.8	Confident	66.5	Low	53 Å²	53	84.2 Å²	84.2	25%	0.248	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.7	174.3	-175.7	176.4	-6.5	0	0	109.7	C321 N326 G409 R410 V412	Q319-C321 PolarHBondContact NE2-O 3.26Å; Q319-N326 PolarHBondContact NE2-ND2 3.36Å; Q319-G409 CarbonylContact O-C 3.48Å; Q319-G409 VanDerWaalsContact O-CA 3.28Å; Q319-G409 WeakPolarHBondContact O-CA 3.48Å; Q319-R410 PolarHBondContact N-O 3.48Å; Q319-R410 PolarHBondContact O-N 2.93Å; Q319-V412 HydrophobicContact CB-CG2 4.19Å
320	D	77.6	Confident	63.7	Low	95 Å²	95	89.3 Å²	89.3	51%	0.508	48%	0.475	S	S	.	.			trans	-83.8	-29.6	-176.5	54.7	-0.9	0	0	0	113.9	Y318	Y318-D320 HydrophobicContact CE1-CB 4.05Å
321	C	61.2	Low	60.9	Low	62 Å²	62	92.8 Å²	92.8	42%	0.419	49%	0.49	S	S	.	.			trans	-116	129.3	-173.2	53.2	0	0	0	0	113.7	Q319 G323	Q319-C321 PolarHBondContact NE2-O 3.26Å; C321-G323 PolarHBondContact O-N 2.81Å
322	V	51.2	Low	58	Low	123 Å²	123	95 Å²	95	75%	0.745	51%	0.51	S	S	*	.			trans	-86.5	67.7	162.8	-170.3	0	0	0	0	108.1
323	G	46.5	Very low	55	Low	37 Å²	37	101.9 Å²	101.9	38%	0.381	54%	0.544	S	S	.	.			trans	-89.3	132.3	170.8	0	0	0	0	0	109.7	C321 Y325	C321-G323 PolarHBondContact O-N 2.81Å; G323-Y325 PolarHBondContact O-N 3.24Å
324	P	39.1	Very low	51.9	Low	125 Å²	125	105.9 Å²	105.9	81%	0.812	57%	0.573	S	S	*	*	S	Bend	trans	-67.5	19.8	169.1	25.6	-29.5	0	0	0	113.7
325	Y	30.9	Very low	48.8	Very low	184 Å²	184	107.1 Å²	107.1	72%	0.722	57%	0.574	S	S	*	*			trans	-146.8	63	-172.7	-80	-84.8	0	0	0	111.4	G323 Q327	G323-Y325 PolarHBondContact O-N 3.24Å; Y325-Q327 VanDerWaalsContact C-N 3.26Å; Y325-Q327 PolarHBondContact O-N 3.12Å
326	N	31.8	Very low	45.8	Very low	116 Å²	116	110.8 Å²	110.8	62%	0.62	60%	0.6	S	S	*	*			trans	-83.9	77.5	159.3	-102.2	-1.5	0	0	0	109.5	Q319	Q319-N326 PolarHBondContact NE2-ND2 3.36Å
327	Q	34.2	Very low	42.9	Very low	84 Å²	84	112.9 Å²	112.9	39%	0.393	63%	0.626	S	S	.	*			trans	-77.3	121.7	158.4	-71	177	11.3	0	0	108	Y325 N329	Y325-Q327 VanDerWaalsContact C-N 3.26Å; Y325-Q327 PolarHBondContact O-N 3.12Å; Q327-N329 PolarHBondContact O-N 3.34Å
328	H	30.1	Very low	39.9	Very low	102 Å²	102	117.7 Å²	117.7	47%	0.472	65%	0.647	S	S	.	*			trans	-22.1	114.5	173.4	-69.7	-57	0	0	0	116.3	I457	H328-I457 PolarHBondContact CE1-O 2.87Å; H328-I457 VanDerWaalsContact CE1-O 3.25Å
329	N	28.3	Very low	36.9	Very low	128 Å²	128	121.5 Å²	121.5	68%	0.684	67%	0.666	S	S	*	*			trans	-133.2	48.3	158	-102.6	-10.5	0	0	0	110.7	Q327	Q327-N329 PolarHBondContact O-N 3.34Å
330	H	26.1	Very low	34.1	Very low	184 Å²	184	130.1 Å²	130.1	85%	0.852	70%	0.696	S	S	*	*			trans	-101.1	63.5	157.3	-80.8	-70.5	0	0	0	109	N332	H330-N332 PolarHBondContact O-N 2.79Å
331	I	27.5	Very low	31.8	Very low	124 Å²	124	130.6 Å²	130.6	64%	0.636	70%	0.703	S	S	*	*			trans	-72.3	111.4	159.5	-66.2	173.9	0	0	0	105.7	M333	I331-M333 PolarHBondContact O-N 3.04Å
332	N	25.8	Very low	30	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	72%	0.723	S	S	*	*			trans	-9.6	90.5	161.3	-74.1	-33.5	0	0	0	114	H330 C334	H330-N332 PolarHBondContact O-N 2.79Å; N332-C334 PolarHBondContact O-N 3.03Å
333	M	24.1	Very low	28.7	Very low	182 Å²	182	134.4 Å²	134.4	90%	0.897	72%	0.719	S	S	*	*			trans	-83.1	66.1	158.9	-146.1	170.7	75.3	0	0	107	I331 C335	I331-M333 PolarHBondContact O-N 3.04Å; M333-C335 PolarHBondContact O-N 3.46Å; M333-C335 VanDerWaalsContact O-N 3.16Å
334	C	24.9	Very low	27.6	Very low	107 Å²	107	138.2 Å²	138.2	72%	0.723	74%	0.741	S	S	*	*			trans	-66.8	108.3	163	-169.7	0	0	0	0	106.1	N332 T336	N332-C334 PolarHBondContact O-N 3.03Å; C334-T336 PolarHBondContact O-N 3.22Å
335	C	24.1	Very low	27.1	Very low	123 Å²	123	137.4 Å²	137.4	83%	0.831	74%	0.738	S	S	*	*			trans	-3.4	84.3	169.1	-60.7	0	0	0	0	116.6	M333	M333-C335 PolarHBondContact O-N 3.46Å; M333-C335 VanDerWaalsContact O-N 3.16Å
336	T	27	Very low	26.7	Very low	123 Å²	123	133.9 Å²	133.9	76%	0.755	74%	0.74	S	S	*	*			trans	-111.6	99.4	148.8	40.4	0	0	0	0	107.8	C334 L338	C334-T336 PolarHBondContact O-N 3.22Å; T336-L338 PolarHBondContact O-N 3.24Å
337	A	27.5	Very low	26.5	Very low	99 Å²	99	134.2 Å²	134.2	82%	0.818	75%	0.748	S	S	*	*			trans	-55	103	172.1	0	0	0	0	0	110.5
338	L	27.3	Very low	26.1	Very low	158 Å²	158	135.3 Å²	135.3	83%	0.827	77%	0.765	S	S	*	*			trans	-127.6	85.2	154.2	-103.3	138.8	0	0	0	107	T336 R340	T336-L338 PolarHBondContact O-N 3.24Å; L338-R340 PolarHBondContact O-N 2.77Å
339	K	25.3	Very low	25.9	Very low	192 Å²	192	137.4 Å²	137.4	84%	0.835	79%	0.785	S	S	*	*			trans	-48.1	105.9	164.4	-74.6	175.4	174.1	177.3	0	108.8
340	R	24.6	Very low	25.7	Very low	233 Å²	233	136.4 Å²	136.4	88%	0.879	79%	0.788	S	S	*	*			trans	-112.5	85.2	144.7	-78.5	-171	-178.1	-173.3	1.7	106.8	L338 I342	L338-R340 PolarHBondContact O-N 2.77Å; R340-I342 PolarHBondContact O-N 3.19Å; R340-I342 VanDerWaalsContact O-N 3.17Å
341	T	29.4	Very low	25.6	Very low	106 Å²	106	133.4 Å²	133.4	65%	0.65	79%	0.788	S	S	*	*			trans	-49.2	115	167	-43	0	0	0	0	108.2	C343	T341-C343 PolarHBondContact O-N 3.16Å
342	I	24.1	Very low	25.5	Very low	166 Å²	166	130.4 Å²	130.4	85%	0.851	79%	0.787	S	S	*	*			trans	-69.9	90.5	163	-63.1	170.4	0	0	0	104.6	R340 S344	R340-I342 PolarHBondContact O-N 3.19Å; R340-I342 VanDerWaalsContact O-N 3.17Å; I342-S344 PolarHBondContact O-N 3.08Å; I342-S344 VanDerWaalsContact O-N 3.13Å
343	C	24.7	Very low	25.5	Very low	98 Å²	98	131 Å²	131	66%	0.662	79%	0.791	S	S	*	*			trans	-71.4	104.2	167.8	-74.6	0	0	0	0	107.3	T341 S345	T341-C343 PolarHBondContact O-N 3.16Å; C343-S345 PolarHBondContact O-N 3.3Å; C343-S345 VanDerWaalsContact O-N 3.07Å
344	S	23.7	Very low	25.5	Very low	118 Å²	118	133.5 Å²	133.5	83%	0.825	79%	0.792	S	S	*	*			trans	-51	102.3	155.6	48.1	0	0	0	0	109.6	I342	I342-S344 PolarHBondContact O-N 3.08Å; I342-S344 VanDerWaalsContact O-N 3.13Å
345	S	26.8	Very low	25.6	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	80%	0.795	S	S	*	*			trans	-119.2	104.7	163.1	54.6	0	0	0	0	108.1	C343	C343-S345 PolarHBondContact O-N 3.3Å; C343-S345 VanDerWaalsContact O-N 3.07Å
346	S	24.2	Very low	25.7	Very low	109 Å²	109	131.8 Å²	131.8	76%	0.762	79%	0.794	S	S	*	*			trans	-50.9	141.2	171	-50	0	0	0	0	110.8	S348	S346-S348 PolarHBondContact O-N 3.46Å
347	P	26.9	Very low	25.7	Very low	123 Å²	123	130.3 Å²	130.3	80%	0.799	80%	0.795	S	S	*	*			trans	-74.1	110.4	-173.7	28.3	-31.4	0	0	0	110.6	V349	P347-V349 PolarHBondContact O-N 2.89Å
348	S	26.6	Very low	25.6	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	80%	0.795	S	S	*	*			trans	-75	109.4	161.9	42.8	0	0	0	0	108.9	S346 S350	S346-S348 PolarHBondContact O-N 3.46Å; S348-S350 PolarHBondContact O-N 3.48Å; S348-S350 VanDerWaalsContact O-N 3.1Å
349	V	24.3	Very low	25.6	Very low	146 Å²	146	130 Å²	130	89%	0.885	79%	0.794	S	S	*	*			trans	-58.5	109.2	168.6	178.4	0	0	0	0	107.9	P347	P347-V349 PolarHBondContact O-N 2.89Å
350	S	25.4	Very low	25.8	Very low	108 Å²	108	126.3 Å²	126.3	76%	0.755	79%	0.788	S	S	*	*			trans	-127.6	121.6	165.4	54.3	0	0	0	0	109.2	S348 G352	S348-S350 PolarHBondContact O-N 3.48Å; S348-S350 VanDerWaalsContact O-N 3.1Å; S350-G352 PolarHBondContact O-N 2.78Å
351	S	24.4	Very low	25.7	Very low	121 Å²	121	122 Å²	122	85%	0.846	78%	0.782	S	S	*	*			trans	-63.3	105.4	-177.9	20.9	0	0	0	0	110.9
352	G	24.9	Very low	25.5	Very low	60 Å²	60	127.6 Å²	127.6	62%	0.619	79%	0.793	S	S	*	*			trans	-106.3	105.5	171.4	0	0	0	0	0	110.6	S350 Y354	S350-G352 PolarHBondContact O-N 2.78Å; G352-Y354 PolarHBondContact O-N 2.9Å
353	N	25	Very low	25.5	Very low	165 Å²	165	126.4 Å²	126.4	88%	0.882	79%	0.788	S	S	*	*			trans	-53.3	113.8	171.2	-75.1	-21.4	0	0	0	111.1
354	Y	25.2	Very low	25.5	Very low	234 Å²	234	130.9 Å²	130.9	92%	0.918	80%	0.799	S	S	*	*			trans	-90	101.2	162.8	-87.2	-85.7	0	0	0	108.9	G352	G352-Y354 PolarHBondContact O-N 2.9Å
355	S	27.1	Very low	25.6	Very low	114 Å²	114	130.4 Å²	130.4	80%	0.797	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63.2	132.2	166.6	35.9	0	0	0	0	110.4
356	G	26.4	Very low	25.5	Very low	79 Å²	79	132.9 Å²	132.9	81%	0.814	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60.6	137	-169.9	0	0	0	0	0	114.6
357	A	26.2	Very low	25.6	Very low	93 Å²	93	133.1 Å²	133.1	77%	0.769	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-81.5	124	161.3	0	0	0	0	0	108.8	V359	A357-V359 PolarHBondContact O-N 3.38Å
358	S	25.6	Very low	25.7	Very low	116 Å²	116	133.4 Å²	133.4	81%	0.811	81%	0.805	S	S	*	*			trans	-54	114.3	175.5	44.2	0	0	0	0	112.6
359	V	27.7	Very low	25.7	Very low	133 Å²	133	133.7 Å²	133.7	81%	0.806	81%	0.806	S	S	*	*			trans	-84.4	120	166.6	177	0	0	0	0	108.1	A357 N361	A357-V359 PolarHBondContact O-N 3.38Å; V359-N361 PolarHBondContact O-N 3.22Å
360	T	27.7	Very low	25.7	Very low	115 Å²	115	132.1 Å²	132.1	71%	0.706	80%	0.802	S	S	*	*			trans	-71.1	117.6	178	43.8	0	0	0	0	110.9	Y362	T360-Y362 PolarHBondContact O-N 2.91Å
361	N	23.9	Very low	25.8	Very low	143 Å²	143	131.8 Å²	131.8	77%	0.765	80%	0.8	S	S	*	*			trans	-61.9	114.7	172.4	-75.4	-23.7	0	0	0	111.3	V359	V359-N361 PolarHBondContact O-N 3.22Å
362	Y	24.5	Very low	25.8	Very low	223 Å²	223	132.9 Å²	132.9	88%	0.875	80%	0.795	S	S	*	*			trans	-93.8	104.2	154.1	-88.6	-85.9	0	0	0	107.6	T360	T360-Y362 PolarHBondContact O-N 2.91Å
363	N	23.8	Very low	25.9	Very low	142 Å²	142	138.4 Å²	138.4	76%	0.759	81%	0.805	S	S	*	*			trans	-84.4	104.1	169.2	-80.2	-17.3	0	0	0	108.2
364	E	25.5	Very low	26	Very low	191 Å²	191	138.8 Å²	138.8	89%	0.893	80%	0.801	S	S	*	*			trans	-117	118	152	-85.6	-177.9	161.3	0	0	107.3
365	S	24.7	Very low	26.1	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	80%	0.801	S	S	*	*			trans	-110.7	86.7	-171.4	37.3	0	0	0	0	107.1
366	D	26.3	Very low	26.1	Very low	160 Å²	160	140.2 Å²	140.2	86%	0.856	80%	0.797	S	S	*	*			trans	-102	126.6	167.6	-86.9	-27.4	0	0	0	110
367	S	26.2	Very low	26.1	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	80%	0.799	S	S	*	*			trans	-74.9	126.2	-169.2	-54.7	0	0	0	0	110.1	S369	S367-S369 PolarHBondContact O-N 2.91Å
368	P	29.3	Very low	26.2	Very low	130 Å²	130	149 Å²	149	84%	0.844	80%	0.8	S	S	*	*			trans	-82	113.1	-177.9	29.9	-30	0	0	0	110.6	S370	P368-S370 PolarHBondContact O-N 3.01Å
369	S	25.9	Very low	26.2	Very low	112 Å²	112	152.5 Å²	152.5	78%	0.783	80%	0.804	S	S	*	*			trans	-64.3	124.2	167.5	53.2	0	0	0	0	110.5	S367 S371	S367-S369 PolarHBondContact O-N 2.91Å; S369-S371 PolarHBondContact O-N 3.17Å
370	S	25	Very low	26	Very low	114 Å²	114	157.3 Å²	157.3	80%	0.797	81%	0.808	S	S	*	*			trans	-62.6	119.6	175.2	44.4	0	0	0	0	112.2	P368	P368-S370 PolarHBondContact O-N 3.01Å
371	S	25.7	Very low	26	Very low	100 Å²	100	157 Å²	157	70%	0.699	81%	0.81	S	S	*	*			trans	-124.6	99.3	159.6	60.5	0	0	0	0	108.7	S369 H373	S369-S371 PolarHBondContact O-N 3.17Å; S371-H373 PolarHBondContact O-N 3.37Å
372	L	25.1	Very low	26.1	Very low	145 Å²	145	158.1 Å²	158.1	76%	0.759	82%	0.816	S	S	*	*			trans	-58.5	112.2	168.6	-83.6	88.1	0	0	0	109.2
373	H	27.2	Very low	26.3	Very low	176 Å²	176	153.1 Å²	153.1	82%	0.815	81%	0.809	S	S	*	*			trans	-117	105	159.2	-86.2	-19.6	0	0	0	109.7	S371 R375	S371-H373 PolarHBondContact O-N 3.37Å; H373-R375 PolarHBondContact O-N 3.36Å
374	H	26.9	Very low	26.4	Very low	173 Å²	173	152.1 Å²	152.1	80%	0.801	81%	0.813	S	S	*	*			trans	-43.4	104	165.7	-87.5	-74.4	0	0	0	110.7	N376	H374-N376 PolarHBondContact O-N 3.39Å
375	R	26.7	Very low	26.4	Very low	242 Å²	242	147.7 Å²	147.7	91%	0.913	80%	0.803	S	S	*	*			trans	-90.8	99	164.7	-101.2	179.9	172.3	170.5	-1.4	108.6	H373 H377	H373-R375 PolarHBondContact O-N 3.36Å; R375-H377 PolarHBondContact O-N 2.87Å
376	N	27.9	Very low	26.6	Very low	135 Å²	135	149.5 Å²	149.5	72%	0.722	81%	0.809	S	S	*	*			trans	-62.2	119.3	169.6	-81.3	-25.7	0	0	0	110.2	H374 H378	H374-N376 PolarHBondContact O-N 3.39Å; N376-H378 PolarHBondContact O-N 3.47Å; N376-H378 VanDerWaalsContact O-N 3.11Å
377	H	27.2	Very low	26.7	Very low	185 Å²	185	147.3 Å²	147.3	86%	0.856	80%	0.802	S	S	*	*			trans	-67.7	96	167.3	-88.6	-77.3	0	0	0	109.9	R375	R375-H377 PolarHBondContact O-N 2.87Å
378	H	28.2	Very low	26.8	Very low	171 Å²	171	148.5 Å²	148.5	79%	0.792	81%	0.805	S	S	*	*			trans	-103	101	158.5	-86.5	-59.5	0	0	0	109.3	N376 R380	N376-H378 PolarHBondContact O-N 3.47Å; N376-H378 VanDerWaalsContact O-N 3.11Å; H378-R380 PolarHBondContact O-N 3.42Å
379	Q	25.1	Very low	27	Very low	191 Å²	191	150 Å²	150	89%	0.893	81%	0.805	S	S	*	*			trans	-55.9	111.2	161.8	-70.4	172.7	-7.3	0	0	108.3
380	R	23.8	Very low	27.2	Very low	234 Å²	234	153.5 Å²	153.5	88%	0.883	81%	0.809	S	S	*	*			trans	-116.8	117	165.2	-110.5	-179.1	178	-178.2	-0.6	108.5	H378 N382	H378-R380 PolarHBondContact O-N 3.42Å; R380-N382 PolarHBondContact O-N 2.94Å
381	S	26.3	Very low	27.7	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	81%	0.806	S	S	*	*			trans	-53	116.7	172.5	37.4	0	0	0	0	111.2	V383	S381-V383 PolarHBondContact O-N 2.91Å; S381-V383 VanDerWaalsContact O-N 3.12Å
382	N	27	Very low	28	Very low	165 Å²	165	152.6 Å²	152.6	88%	0.882	80%	0.802	S	S	*	*			trans	-74.3	100.1	167.4	-88.3	-13.1	0	0	0	108.6	R380 S384	R380-N382 PolarHBondContact O-N 2.94Å; N382-S384 PolarHBondContact O-N 3.37Å
383	V	27.9	Very low	28.9	Very low	119 Å²	119	151.4 Å²	151.4	72%	0.721	80%	0.803	S	S	*	*			trans	-70.6	115.2	163.9	176.4	0	0	0	0	107.4	S381 S385	S381-V383 PolarHBondContact O-N 2.91Å; S381-V383 VanDerWaalsContact O-N 3.12Å; V383-S385 PolarHBondContact O-N 3.5Å; V383-S385 PolarHBondContact O-OG 3.17Å
384	S	27.5	Very low	29.7	Very low	121 Å²	121	151.5 Å²	151.5	85%	0.846	80%	0.804	S	S	*	*			trans	-51.6	97.2	174.8	-52.5	0	0	0	0	111	N382	N382-S384 PolarHBondContact O-N 3.37Å
385	S	25.6	Very low	30.7	Very low	98 Å²	98	151 Å²	151	69%	0.685	80%	0.802	S	S	*	*			trans	-101.4	111.4	169.4	22.6	0	0	0	0	107.4	V383 T387	V383-S385 PolarHBondContact O-N 3.5Å; V383-S385 PolarHBondContact O-OG 3.17Å; S385-T387 VanDerWaalsContact C-N 3.28Å; S385-T387 PolarHBondContact O-N 3.5Å
386	T	27.7	Very low	32.3	Very low	146 Å²	146	143.4 Å²	143.4	90%	0.896	79%	0.791	S	S	*	*			trans	-60.2	81.7	175.8	21.5	0	0	0	0	110.6	T388	T386-T388 PolarHBondContact O-N 3.16Å
387	T	28	Very low	34.7	Very low	114 Å²	114	139.2 Å²	139.2	70%	0.699	77%	0.772	S	S	*	*			trans	-81.7	105.6	163.8	39.2	0	0	0	0	108.7	S385 L389	S385-T387 VanDerWaalsContact C-N 3.28Å; S385-T387 PolarHBondContact O-N 3.5Å; T387-L389 VanDerWaalsContact C-N 3.28Å; T387-L389 PolarHBondContact O-N 2.88Å
388	T	29.7	Very low	37.2	Very low	138 Å²	138	133.5 Å²	133.5	85%	0.847	75%	0.747	S	S	*	*			trans	-56.4	88.8	164.8	35.1	0	0	0	0	109.6	T386 Q390	T386-T388 PolarHBondContact O-N 3.16Å; T388-Q390 PolarHBondContact O-N 2.93Å
389	L	33.1	Very low	39.8	Very low	162 Å²	162	129.1 Å²	129.1	85%	0.848	73%	0.734	S	S	*	*			trans	-62.5	105.8	169.9	-80	154.4	0	0	0	108.2	T387 S391	T387-L389 VanDerWaalsContact C-N 3.28Å; T387-L389 PolarHBondContact O-N 2.88Å; L389-S391 PolarHBondContact O-N 3.4Å; L389-S391 VanDerWaalsContact O-N 3.14Å
390	Q	30.2	Very low	42.6	Very low	186 Å²	186	122.1 Å²	122.1	87%	0.869	70%	0.703	S	S	*	*			trans	-54.8	113.3	165.5	-73.3	173.7	-23.7	0	0	108	T388 S392	T388-Q390 PolarHBondContact O-N 2.93Å; Q390-S392 PolarHBondContact O-N 3.07Å
391	S	34.4	Very low	45.5	Very low	106 Å²	106	113.5 Å²	113.5	74%	0.741	67%	0.674	S	S	*	*			trans	-62.3	121.1	177.2	54.6	0	0	0	0	110.3	L389	L389-S391 PolarHBondContact O-N 3.4Å; L389-S391 VanDerWaalsContact O-N 3.14Å
392	S	33.2	Very low	48.3	Very low	88 Å²	88	110 Å²	110	62%	0.615	65%	0.651	S	S	*	*			trans	-56.6	143.5	173.5	-41	0	0	0	0	111.9	Q390 H394	Q390-S392 PolarHBondContact O-N 3.07Å; S392-H394 PolarHBondContact O-N 2.94Å
393	P	43.2	Very low	51.1	Low	121 Å²	121	109 Å²	109	79%	0.786	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	14.7	-166.3	-12.1	28.6	0	0	0	116.7
394	H	44.9	Very low	53.7	Low	178 Å²	178	107.6 Å²	107.6	82%	0.824	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	12.2	-169.4	-67.3	-48.3	0	0	0	115.3	S392 A396	S392-H394 PolarHBondContact O-N 2.94Å; H394-A396 PolarHBondContact O-N 3.44Å
395	Q	47.5	Very low	56.6	Low	162 Å²	162	103.2 Å²	103.2	76%	0.757	60%	0.597	S	S	*	*			trans	-81.3	98	165.5	-74.7	-178.8	-14.2	0	0	108.3	S397	Q395-S397 PolarHBondContact O-N 3.29Å
396	A	60	Low	59.4	Low	82 Å²	82	102 Å²	102	68%	0.678	59%	0.588	S	S	*	*			trans	-55.7	107.1	171.7	0	0	0	0	0	108.5	H394	H394-A396 PolarHBondContact O-N 3.44Å
397	S	77.2	Confident	62	Low	48 Å²	48	97 Å²	97	34%	0.336	57%	0.566	S	S	.	*			trans	-85	161.3	-176.7	68.3	0	0	0	0	109.9	Q395 P399 D400 I401	Q395-S397 PolarHBondContact O-N 3.29Å; S397-P399 VanDerWaalsContact C-CD 3.47Å; S397-P399 VanDerWaalsContact C-N 3.26Å; S397-P399 WeakPolarHBondContact OG-CD 3.41Å; S397-D400 WeakPolarHBondContact CB-OD2 3.17Å; S397-D400 PolarHBondContact N-OD2 3.41Å; S397-D400 WeakPolarHBondContact O-CA 3.49Å; S397-D400 VanDerWaalsContact O-CB 3.31Å; S397-D400 WeakPolarHBondContact O-CB 3.41Å; S397-D400 PolarHBondContact O-N 2.89Å; S397-D400 PolarHBondContact OG-OD2 2.76Å; S397-I401 PolarHBondContact O-N 2.73Å; S397-I401 VanDerWaalsContact O-N 3.16Å
398	L	80.5	Confident	64.7	Low	64 Å²	64	96.8 Å²	96.8	34%	0.335	56%	0.555	S	S	.	*	H	α-helix	trans	-52.7	-39.7	173.4	-173.8	76.7	0	0	0	112.6	E233 I234 L237 D400 I401 A402	E233-L398 HydrophobicContact CB-CD1 4.24Å; E233-L398 VanDerWaalsContact OE2-CD2 3.28Å; E233-L398 WeakPolarHBondContact OE2-CD2 3.02Å; I234-L398 HydrophobicContact CG1-CD1 4.1Å; L237-L398 HydrophobicContact CD1-CD1 3.97Å; L237-L398 HydrophobicContact CD1-CG 4.38Å; L398-D400 PolarHBondContact O-N 2.87Å; L398-I401 PolarHBondContact O-N 2.78Å; L398-A402 PolarHBondContact O-N 2.73Å
399	P	82.6	Confident	67.4	Low	79 Å²	79	90.3 Å²	90.3	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-55.3	-33.6	168.9	-28.9	34.5	0	0	0	115	S397 R403	S397-P399 VanDerWaalsContact C-CD 3.47Å; S397-P399 VanDerWaalsContact C-N 3.26Å; S397-P399 WeakPolarHBondContact OG-CD 3.41Å; P399-R403 WeakPolarHBondContact O-CB 3.37Å; P399-R403 PolarHBondContact O-N 3.11Å
400	D	84	Confident	69.9	Low	45 Å²	45	87.9 Å²	87.9	24%	0.241	50%	0.496	C	S	.	.	H	α-helix	trans	-72.1	-40.5	178	-56.1	-41.4	0	0	0	111.2	S397 L398 R403 C404	S397-D400 WeakPolarHBondContact CB-OD2 3.17Å; S397-D400 PolarHBondContact N-OD2 3.41Å; S397-D400 WeakPolarHBondContact O-CA 3.49Å; S397-D400 VanDerWaalsContact O-CB 3.31Å; S397-D400 WeakPolarHBondContact O-CB 3.41Å; S397-D400 PolarHBondContact O-N 2.89Å; S397-D400 PolarHBondContact OG-OD2 2.76Å; L398-D400 PolarHBondContact O-N 2.87Å; D400-R403 PolarHBondContact O-N 3.18Å; D400-R403 IonicContact OD1-CZ 3.82Å; D400-R403 VanDerWaalsContact OD1-CZ 3.27Å; D400-R403 IonicContact OD1-NH1 3.39Å; D400-R403 PolarHBondContact OD1-NH1 3.43Å; D400-R403 IonicContact OD1-NH2 3.15Å; D400-R403 PolarHBondContact OD1-NH2 2.92Å; D400-C404 WeakPolarHBondContact O-CB 3.32Å; D400-C404 PolarHBondContact O-N 3.22Å; D400-C404 PolarHBondContact O-SG 2.8Å
401	I	85.7	Confident	72.6	Confident	52 Å²	52	80 Å²	80	27%	0.267	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-46.2	172.5	-60.6	176	0	0	0	110.2	I234 S397 L398 R403 C404 L405	I234-I401 HydrophobicContact CD1-CD1 3.69Å; I234-I401 HydrophobicContact CG1-CD1 3.96Å; I234-I401 HydrophobicContact CG2-CG2 4.39Å; S397-I401 PolarHBondContact O-N 2.73Å; S397-I401 VanDerWaalsContact O-N 3.16Å; L398-I401 PolarHBondContact O-N 2.78Å; I401-R403 VanDerWaalsContact C-N 3.31Å; I401-R403 PolarHBondContact O-N 3.19Å; I401-C404 PolarHBondContact O-N 2.85Å; I401-L405 HydrophobicContact CG2-CD1 3.82Å; I401-L405 HydrophobicContact CG2-CG 4.25Å; I401-L405 WeakPolarHBondContact O-CB 3.07Å; I401-L405 WeakPolarHBondContact O-CG 3.34Å; I401-L405 PolarHBondContact O-N 3.21Å
402	A	84.8	Confident	75.1	Confident	35 Å²	35	75.5 Å²	75.5	29%	0.289	43%	0.427	S	S	.	.	H	α-helix	trans	-59.6	-40.7	177.2	0	0	0	0	0	112.2	L237 L398 L405 S406	L237-A402 HydrophobicContact CD1-CB 4.1Å; L237-A402 HydrophobicContact CD2-CB 4.39Å; L398-A402 PolarHBondContact O-N 2.73Å; A402-L405 PolarHBondContact O-N 3.34Å; A402-S406 PolarHBondContact O-N 3.01Å
403	R	85.1	Confident	77.7	Confident	145 Å²	145	72.9 Å²	72.9	55%	0.547	41%	0.407	S	S	.	.	H	α-helix	trans	-67.5	-39.2	175.4	-164.4	-174.3	-45.8	99.6	5.2	112.6	P399 D400 I401 S406 G407	P399-R403 WeakPolarHBondContact O-CB 3.37Å; P399-R403 PolarHBondContact O-N 3.11Å; D400-R403 PolarHBondContact O-N 3.18Å; D400-R403 IonicContact OD1-CZ 3.82Å; D400-R403 VanDerWaalsContact OD1-CZ 3.27Å; D400-R403 IonicContact OD1-NH1 3.39Å; D400-R403 PolarHBondContact OD1-NH1 3.43Å; D400-R403 IonicContact OD1-NH2 3.15Å; D400-R403 PolarHBondContact OD1-NH2 2.92Å; I401-R403 VanDerWaalsContact C-N 3.31Å; I401-R403 PolarHBondContact O-N 3.19Å; R403-S406 PolarHBondContact O-OG 2.99Å; R403-G407 PolarHBondContact O-N 3.03Å
404	C	83.3	Confident	79.8	Confident	90 Å²	90	67.2 Å²	67.2	61%	0.608	37%	0.37	S	S	*	.	H	α-helix	trans	-65.8	-41.9	174.5	-71.3	0	0	0	0	111.1	D400 I401 G407 F408	D400-C404 WeakPolarHBondContact O-CB 3.32Å; D400-C404 PolarHBondContact O-N 3.22Å; D400-C404 PolarHBondContact O-SG 2.8Å; I401-C404 PolarHBondContact O-N 2.85Å; C404-G407 CarbonylContact O-C 3.58Å; C404-G407 PolarHBondContact O-N 3.27Å; C404-F408 PolarHBondContact O-N 3.44Å
405	L	87	Confident	81.8	Confident	29 Å²	29	61.1 Å²	61.1	15%	0.152	35%	0.346	C	S	.	.	H	α-helix	trans	-67.8	-37.8	177.9	-74.3	172.5	0	0	0	112.4	L237 V238 R241 I401 A402 G407 F408	L237-L405 HydrophobicContact CB-CD1 3.49Å; L237-L405 VanDerWaalsContact CB-CD1 3.49Å; L237-L405 HydrophobicContact CD1-CD1 4.45Å; V238-L405 HydrophobicContact CG2-CD1 3.94Å; V238-L405 HydrophobicContact CG2-CD2 3.9Å; R241-L405 WeakPolarHBondContact CD-O 3.44Å; R241-L405 WeakPolarHBondContact CG-O 3.42Å; R241-L405 PolarHBondContact NE-O 3.42Å; I401-L405 HydrophobicContact CG2-CD1 3.82Å; I401-L405 HydrophobicContact CG2-CG 4.25Å; I401-L405 WeakPolarHBondContact O-CB 3.07Å; I401-L405 WeakPolarHBondContact O-CG 3.34Å; I401-L405 PolarHBondContact O-N 3.21Å; A402-L405 PolarHBondContact O-N 3.34Å; L405-G407 PolarHBondContact O-N 2.84Å; L405-F408 WeakPolarHBondContact O-CB 3.36Å; L405-F408 PolarHBondContact O-N 3.19Å
406	S	84.3	Confident	83.8	Confident	72 Å²	72	53.5 Å²	53.5	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-26.8	175.1	70	0	0	0	0	112.8	R241 A402 R403	R241-S406 VanDerWaalsContact CZ-O 3.31Å; R241-S406 PolarHBondContact NH2-O 3.21Å; A402-S406 PolarHBondContact O-N 3.01Å; R403-S406 PolarHBondContact O-OG 2.99Å
407	G	82.5	Confident	85.3	Confident	41 Å²	41	51 Å²	51	42%	0.423	28%	0.284	S	S	.	.	H	α-helix	trans	-85.6	-12.4	170.4	0	0	0	0	0	115	R403 C404 L405	R403-G407 PolarHBondContact O-N 3.03Å; C404-G407 CarbonylContact O-C 3.58Å; C404-G407 PolarHBondContact O-N 3.27Å; L405-G407 PolarHBondContact O-N 2.84Å
408	F	85.6	Confident	86	Confident	110 Å²	110	49 Å²	49	48%	0.482	27%	0.27	S	S	.	.	S	Bend	trans	-81.3	125.1	-177.7	-177	-97.3	0	0	0	111	R241 C404 L405	R241-F408 PolarHBondContact NE-O 3.12Å; R241-F408 PolarHBondContact NH2-O 2.88Å; C404-F408 PolarHBondContact O-N 3.44Å; L405-F408 WeakPolarHBondContact O-CB 3.36Å; L405-F408 PolarHBondContact O-N 3.19Å
409	G	86.4	Confident	86.4	Confident	2 Å²	2	48 Å²	48	2%	0.021	27%	0.27	C	S	.	.			trans	73	129.2	-176.8	0	0	0	0	0	112.8	R241 Y318 Q319	R241-G409 PolarHBondContact NH2-O 2.83Å; Y318-G409 WeakPolarHBondContact OH-CA 3.49Å; Q319-G409 CarbonylContact O-C 3.48Å; Q319-G409 VanDerWaalsContact O-CA 3.28Å; Q319-G409 WeakPolarHBondContact O-CA 3.48Å
410	R	86.4	Confident	86.8	Confident	111 Å²	111	47.8 Å²	47.8	42%	0.419	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.4	172.1	175.2	175.8	172.1	-167.7	-5	109.8	Q319 S452	Q319-R410 PolarHBondContact N-O 3.48Å; Q319-R410 PolarHBondContact O-N 2.93Å; R410-S452 PolarHBondContact NH2-O 3.49Å
411	L	86.3	Confident	87.2	Confident	20 Å²	20	45.7 Å²	45.7	11%	0.105	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.8	166.7	-62	176.8	0	0	0	109.9	C248 V249 I252 L316 C317 Y318	C248-L411 HydrophobicContact CB-CD1 3.6Å; V249-L411 HydrophobicContact CB-CD1 4.3Å; V249-L411 HydrophobicContact CG2-CD1 3.54Å; V249-L411 HydrophobicContact CG2-CD2 3.48Å; V249-L411 VanDerWaalsContact CG2-CD2 3.48Å; V249-L411 HydrophobicContact CG2-CG 4.14Å; I252-L411 HydrophobicContact CD1-CD1 4.32Å; L316-L411 HydrophobicContact CD1-CB 4.42Å; C317-L411 CarbonylContact O-C 3.6Å; C317-L411 WeakPolarHBondContact O-CA 3.42Å; Y318-L411 HydrophobicContact CD2-CD2 4.26Å
412	V	85.9	Confident	87.6	Confident	11 Å²	11	45.9 Å²	45.9	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.2	173.9	-168	0	0	0	0	107.7	F315 C317 Q319 G453 T454	F315-V412 HydrophobicContact CE1-CB 4.34Å; F315-V412 HydrophobicContact CE1-CG1 3.9Å; F315-V412 HydrophobicContact CZ-CG1 4.37Å; C317-V412 PolarHBondContact N-O 3.1Å; C317-V412 PolarHBondContact O-N 3.16Å; Q319-V412 HydrophobicContact CB-CG2 4.19Å; V412-G453 WeakPolarHBondContact CG1-O 3.37Å; V412-T454 WeakPolarHBondContact CG1-O 3.41Å
413	V	87.5	Confident	88.1	Confident	34 Å²	34	45.1 Å²	45.1	21%	0.206	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.4	-174.9	-163.4	0	0	0	0	107.6	I252 L316 T454	I252-V413 HydrophobicContact CD1-CG2 3.74Å; I252-V413 HydrophobicContact CG2-CG1 3.74Å; I252-V413 HydrophobicContact CG2-CG2 4Å; L316-V413 HydrophobicContact CD1-CG2 3.77Å; V413-T454 WeakPolarHBondContact O-CB 3.43Å; V413-T454 WeakPolarHBondContact O-CG2 3.5Å
414	S	88.3	Confident	88.6	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	26%	0.26	C	S	.	.			trans	-123.1	143.5	178.1	172.1	0	0	0	0	108.9	K256 N313 T416 D455	K256-S414 PolarHBondContact NZ-O 3.41Å; N313-S414 VanDerWaalsContact CG-O 3.28Å; N313-S414 PolarHBondContact ND2-O 3.27Å; N313-S414 PolarHBondContact OD1-O 2.91Å; S414-T416 VanDerWaalsContact OG-CB 3.24Å; S414-T416 WeakPolarHBondContact OG-CB 3.47Å; S414-T416 PolarHBondContact OG-N 2.85Å; S414-T416 PolarHBondContact OG-OG1 3.42Å; S414-D455 VanDerWaalsContact CB-OD1 3.29Å; S414-D455 WeakPolarHBondContact CB-OD1 3.21Å; S414-D455 PolarHBondContact OG-OD1 2.87Å
415	T	87.3	Confident	89	Confident	50 Å²	50	46 Å²	46	31%	0.307	25%	0.246	S	C	.	.			trans	-111	14.7	165.1	59	0	0	0	0	110.9	N313 D443 Q449	N313-T415 WeakPolarHBondContact ND2-CA 3.12Å; T415-D443 WeakPolarHBondContact O-CA 3.08Å; T415-Q449 PolarHBondContact OG1-NE2 3.14Å; T415-Q449 PolarHBondContact OG1-OE1 3.21Å
416	T	90.1	Very high	89	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-65.9	141.5	-175.7	-68.5	0	0	0	0	111.5	N313 S414 C421 A441 V442 Q449 D455 I499 L500	N313-T416 PolarHBondContact ND2-N 3.22Å; N313-T416 PolarHBondContact ND2-O 3.01Å; S414-T416 VanDerWaalsContact OG-CB 3.24Å; S414-T416 WeakPolarHBondContact OG-CB 3.47Å; S414-T416 PolarHBondContact OG-N 2.85Å; S414-T416 PolarHBondContact OG-OG1 3.42Å; T416-C421 WeakPolarHBondContact CG2-SG 2.89Å; T416-A441 HydrophobicContact CG2-CB 4.01Å; T416-V442 WeakPolarHBondContact CA-O 3.43Å; T416-Q449 WeakPolarHBondContact OG1-CG 3.47Å; T416-Q449 PolarHBondContact OG1-NE2 3.3Å; T416-D455 WeakPolarHBondContact CB-OD1 3.33Å; T416-D455 PolarHBondContact OG1-OD1 3.16Å; T416-D455 PolarHBondContact OG1-OD2 2.68Å; T416-I499 HydrophobicContact CG2-CD1 4.21Å; T416-I499 HydrophobicContact CG2-CG2 3.79Å; T416-L500 WeakPolarHBondContact O-CD1 3.34Å
417	Y	90.8	Very high	89.1	Confident	29 Å²	29	51.2 Å²	51.2	11%	0.114	27%	0.27	C	S	.	.			trans	-116.6	98.8	179	-174.1	-109.1	0	0	0	109.8	E309 A419 L420 C421 V442 Y444	E309-Y417 HydrophobicContact CB-CE2 4.03Å; E309-Y417 VanDerWaalsContact CB-OH 3.3Å; E309-Y417 WeakPolarHBondContact CB-OH 3.5Å; E309-Y417 WeakPolarHBondContact OE2-CE2 3.34Å; E309-Y417 PolarHBondContact OE2-OH 3.38Å; Y417-A419 VanDerWaalsContact C-N 3.28Å; Y417-A419 HydrophobicContact CD1-CB 4.38Å; Y417-A419 HydrophobicContact CE1-CB 3.79Å; Y417-A419 PolarHBondContact O-N 3.21Å; Y417-A419 VanDerWaalsContact O-N 3.12Å; Y417-L420 HydrophobicContact CD1-CB 3.94Å; Y417-L420 HydrophobicContact CD1-CD1 3.68Å; Y417-L420 HydrophobicContact CD1-CG 3.54Å; Y417-L420 HydrophobicContact CE1-CD1 4.08Å; Y417-L420 HydrophobicContact CE1-CG 3.78Å; Y417-L420 PolarHBondContact O-N 3.04Å; Y417-L420 VanDerWaalsContact O-N 3.13Å; Y417-C421 PolarHBondContact O-N 3.41Å; Y417-C421 PolarHBondContact O-SG 3Å; Y417-V442 PolarHBondContact N-O 3.16Å; Y417-Y444 HydrophobicContact CD1-CD2 4.49Å; Y417-Y444 HydrophobicContact CD2-CD2 4.24Å; Y417-Y444 HydrophobicContact CE1-CD2 4.44Å; Y417-Y444 HydrophobicContact CE2-CD2 4.24Å; Y417-Y444 HydrophobicContact CG-CD2 4.36Å
418	P	90.8	Very high	89.4	Confident	6 Å²	6	52.6 Å²	52.6	4%	0.039	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-55.6	-35	-168.3	-30.6	37.7	0	0	0	115	L420 C421 I499 L500 R502 I504	P418-L420 VanDerWaalsContact C-N 3.27Å; P418-L420 PolarHBondContact O-N 3.3Å; P418-C421 WeakPolarHBondContact O-CB 3.43Å; P418-C421 PolarHBondContact O-N 3.02Å; P418-C421 VanDerWaalsContact O-N 3.12Å; P418-I499 HydrophobicContact CB-CB 4.5Å; P418-I499 HydrophobicContact CG-CB 4.21Å; P418-I499 VanDerWaalsContact CG-O 3.3Å; P418-I499 WeakPolarHBondContact CG-O 3.42Å; P418-L500 HydrophobicContact CG-CD1 4.36Å; P418-R502 HydrophobicContact CB-CB 3.98Å; P418-R502 HydrophobicContact CG-CB 3.98Å; P418-I504 HydrophobicContact CB-CG2 4.46Å; P418-I504 VanDerWaalsContact O-CA 3.29Å; P418-I504 WeakPolarHBondContact O-CA 3.38Å
419	A	88.7	Confident	89.7	Confident	42 Å²	42	47.8 Å²	47.8	35%	0.347	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-68.7	-20.4	-176.9	0	0	0	0	0	114.3	Y417	Y417-A419 VanDerWaalsContact C-N 3.28Å; Y417-A419 HydrophobicContact CD1-CB 4.38Å; Y417-A419 HydrophobicContact CE1-CB 3.79Å; Y417-A419 PolarHBondContact O-N 3.21Å; Y417-A419 VanDerWaalsContact O-N 3.12Å
420	L	91	Very high	89.9	Confident	76 Å²	76	49.1 Å²	49.1	40%	0.398	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-96.6	-11.9	173	-68.4	177	0	0	0	113	Y417 P418 V442	Y417-L420 HydrophobicContact CD1-CB 3.94Å; Y417-L420 HydrophobicContact CD1-CD1 3.68Å; Y417-L420 HydrophobicContact CD1-CG 3.54Å; Y417-L420 HydrophobicContact CE1-CD1 4.08Å; Y417-L420 HydrophobicContact CE1-CG 3.78Å; Y417-L420 PolarHBondContact O-N 3.04Å; Y417-L420 VanDerWaalsContact O-N 3.13Å; P418-L420 VanDerWaalsContact C-N 3.27Å; P418-L420 PolarHBondContact O-N 3.3Å; L420-V442 HydrophobicContact CB-CG2 3.53Å; L420-V442 WeakPolarHBondContact O-CG2 3.44Å
421	C	93.3	Very high	90	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.			trans	-68.8	145.8	177.1	-59.8	0	0	0	0	110.3	T416 Y417 P418 Q440 I499 I504 R505	T416-C421 WeakPolarHBondContact CG2-SG 2.89Å; Y417-C421 PolarHBondContact O-N 3.41Å; Y417-C421 PolarHBondContact O-SG 3Å; P418-C421 WeakPolarHBondContact O-CB 3.43Å; P418-C421 PolarHBondContact O-N 3.02Å; P418-C421 VanDerWaalsContact O-N 3.12Å; C421-Q440 WeakPolarHBondContact CA-O 3.39Å; C421-Q440 WeakPolarHBondContact CB-O 3.5Å; C421-I499 HydrophobicContact CB-CD1 4.15Å; C421-I504 HydrophobicContact CB-CB 4.04Å; C421-I504 HydrophobicContact CB-CG2 3.75Å; C421-R505 VanDerWaalsContact O-CB 3.29Å; C421-R505 WeakPolarHBondContact O-CB 3.19Å; C421-R505 PolarHBondContact O-N 3.15Å
422	T	94.6	Very high	90	Very high	57 Å²	57	45.4 Å²	45.4	35%	0.35	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.2	-176.6	56.7	0	0	0	0	110.9	I439 Q440	T422-I439 CarbonylContact O-C 3.59Å; T422-I439 WeakPolarHBondContact O-CA 3.33Å; T422-Q440 PolarHBondContact N-O 3.35Å; T422-Q440 PolarHBondContact O-N 2.99Å
423	A	95.5	Very high	90	Very high	19 Å²	19	45.6 Å²	45.6	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.1	169.8	0	0	0	0	0	109.5	T438 I439 I504 F509	A423-T438 CarbonylContact C-O 3.57Å; A423-T438 WeakPolarHBondContact CA-O 3.49Å; A423-I439 HydrophobicContact CB-CG1 4.36Å; A423-I504 HydrophobicContact CB-CD1 3.9Å; A423-F509 HydrophobicContact CB-CE2 3.84Å; A423-F509 HydrophobicContact CB-CZ 3.76Å
424	R	95.2	Very high	89.8	Confident	193 Å²	193	48.2 Å²	48.2	73%	0.728	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	107.5	169	-57.6	-177.2	179	-142.7	1	108.1	C437 T438	R424-C437 WeakPolarHBondContact O-CA 3.3Å; R424-C437 PolarHBondContact O-SG 3.34Å; R424-C437 VanDerWaalsContact O-SG 3.38Å; R424-T438 WeakPolarHBondContact CB-OG1 3.39Å; R424-T438 PolarHBondContact N-O 3.49Å; R424-T438 PolarHBondContact O-N 3.07Å; R424-T438 VanDerWaalsContact O-N 3.11Å
425	L	92.1	Very high	89.9	Confident	61 Å²	61	48.6 Å²	48.6	32%	0.319	25%	0.248	S	C	.	.			trans	-78.9	153.2	177.7	-62.9	169.6	0	0	0	110.5	L495 F509 V511	L425-L495 HydrophobicContact CD2-CD2 3.53Å; L425-F509 HydrophobicContact CD1-CB 3.87Å; L425-F509 HydrophobicContact CD1-CD1 3.85Å; L425-F509 HydrophobicContact CD1-CG 3.96Å; L425-F509 HydrophobicContact CD2-CB 4.49Å; L425-F509 HydrophobicContact CD2-CG 4.46Å; L425-V511 HydrophobicContact CD1-CG2 4.36Å; L425-V511 HydrophobicContact CD2-CG2 4.11Å
426	P	86.8	Confident	90	Very high	37 Å²	37	50.5 Å²	50.5	24%	0.24	25%	0.252	C	S	.	.			trans	-64.9	144.3	170.8	28.9	-34.5	0	0	0	110.5	E428 M429 A435 K436	P426-E428 VanDerWaalsContact C-N 3.33Å; P426-E428 PolarHBondContact O-N 3.22Å; P426-M429 HydrophobicContact CG-CE 4.27Å; P426-A435 HydrophobicContact CG-CB 4.28Å; P426-K436 WeakPolarHBondContact CD-O 3.43Å
427	N	86.9	Confident	90.1	Very high	172 Å²	172	50.5 Å²	50.5	92%	0.92	25%	0.252	S	S	*	.	S	Bend	trans	-61.4	-41.3	179.9	-70.4	-23.9	0	0	0	112.4
428	E	88.2	Confident	90.3	Very high	70 Å²	70	51.2 Å²	51.2	33%	0.327	26%	0.259	S	S	.	.			trans	-137.9	145.5	175.7	-61.9	-166.8	127	0	0	109	P426 F430 K514 K518	P426-E428 VanDerWaalsContact C-N 3.33Å; P426-E428 PolarHBondContact O-N 3.22Å; E428-F430 HydrophobicContact CB-CE2 3.84Å; E428-F430 HydrophobicContact CB-CZ 3.84Å; E428-K514 IonicContact OE1-NZ 3.55Å; E428-K514 PolarHBondContact OE1-NZ 2.79Å; E428-K518 IonicContact OE1-NZ 3.15Å; E428-K518 PolarHBondContact OE1-NZ 2.92Å; E428-K518 WeakPolarHBondContact OE2-CE 3.37Å; E428-K518 IonicContact OE2-NZ 3.46Å; E428-K518 PolarHBondContact OE2-NZ 2.83Å
429	M	91.1	Very high	90.5	Very high	9 Å²	9	50.9 Å²	50.9	4%	0.044	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.1	175.5	-172.4	-175.8	-98.7	0	0	108.2	P426 A435 F461 M485 V511 V513 K514	P426-M429 HydrophobicContact CG-CE 4.27Å; M429-A435 HydrophobicContact CE-CB 3.27Å; M429-A435 HydrophobicContact CG-CB 3.84Å; M429-A435 HydrophobicContact SD-CB 4.33Å; M429-F461 HydrophobicContact CE-CE1 4.45Å; M429-F461 HydrophobicContact CE-CZ 4.1Å; M429-F461 HydrophobicContact SD-CE1 4.3Å; M429-F461 HydrophobicContact SD-CZ 3.77Å; M429-M485 HydrophobicContact CE-CG 3.58Å; M429-M485 HydrophobicContact CE-SD 3.56Å; M429-M485 VanDerWaalsContact CE-SD 3.56Å; M429-V511 HydrophobicContact CE-CG1 4.43Å; M429-V511 HydrophobicContact SD-CG1 3.98Å; M429-V513 HydrophobicContact CB-CG2 4.27Å; M429-V513 HydrophobicContact CG-CG1 4.25Å; M429-V513 HydrophobicContact CG-CG2 3.96Å; M429-V513 WeakPolarHBondContact O-CA 3.26Å; M429-V513 HydrophobicContact SD-CG2 3.43Å; M429-V513 WeakPolarHBondContact SD-CG2 3.49Å; M429-K514 PolarHBondContact O-N 3.1Å
430	F	91	Very high	90.7	Very high	30 Å²	30	51.5 Å²	51.5	13%	0.132	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	156.4	-177.3	-56.6	-80.5	0	0	0	110.3	E428 L433 K514 T516 Q517	E428-F430 HydrophobicContact CB-CE2 3.84Å; E428-F430 HydrophobicContact CB-CZ 3.84Å; F430-L433 HydrophobicContact CB-CB 4.36Å; F430-L433 HydrophobicContact CB-CD1 3.95Å; F430-L433 HydrophobicContact CB-CG 4.26Å; F430-L433 HydrophobicContact CD2-CD1 4.09Å; F430-L433 HydrophobicContact CG-CD1 4.32Å; F430-K514 VanDerWaalsContact CA-O 3.28Å; F430-K514 WeakPolarHBondContact CA-O 3.26Å; F430-K514 HydrophobicContact CD1-CB 3.68Å; F430-K514 HydrophobicContact CE1-CB 3.88Å; F430-K514 HydrophobicContact CE1-CD 3.94Å; F430-K514 HydrophobicContact CE1-CG 4.47Å; F430-T516 VanDerWaalsContact CD1-O 3.26Å; F430-T516 WeakPolarHBondContact CD1-O 3.38Å; F430-T516 VanDerWaalsContact CE1-O 3.29Å; F430-T516 WeakPolarHBondContact CE1-O 3.45Å; F430-Q517 VanDerWaalsContact CD1-CA 3.47Å; F430-Q517 HydrophobicContact CD1-CB 4.06Å; F430-Q517 HydrophobicContact CD2-CB 4.37Å; F430-Q517 HydrophobicContact CE1-CB 4.39Å; F430-Q517 HydrophobicContact CG-CB 4.05Å
431	T	89	Confident	90.7	Very high	14 Å²	14	47.9 Å²	47.9	9%	0.086	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	140.6	173.3	47	0	0	0	0	110.7	L433 T487 V513 K514 P515	T431-L433 PolarHBondContact O-N 3.14Å; T431-T487 CarbonylContact C-O 3.57Å; T431-T487 WeakPolarHBondContact CA-O 3.37Å; T431-V513 HydrophobicContact CG2-CG1 4.17Å; T431-K514 PolarHBondContact N-O 2.7Å; T431-P515 PolarHBondContact OG1-O 2.87Å
432	H	85.4	Confident	90.6	Very high	40 Å²	40	48.5 Å²	48.5	19%	0.185	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-6.7	178.2	-54.6	-69.7	0	0	0	117.3	T487 P488 Y949 I951	H432-T487 PolarHBondContact N-O 3.06Å; H432-P488 WeakPolarHBondContact CE1-CB 3.41Å; H432-Y949 HydrophobicContact CB-CD2 3.58Å; H432-Y949 HydrophobicContact CB-CE2 4.01Å; H432-Y949 HydrophobicContact CB-CG 4.16Å; H432-Y949 VanDerWaalsContact CE1-CB 3.44Å; H432-Y949 WeakPolarHBondContact CE1-CB 3.39Å; H432-Y949 AromaticContact CG-CD2 3.78Å; H432-Y949 AromaticContact CG-CG 3.95Å; H432-Y949 WeakPolarHBondContact ND1-CB 3.3Å; H432-Y949 AromaticContact ND1-CG 3.78Å; H432-I951 HydrophobicContact CB-CD1 3.62Å
433	L	86.5	Confident	90.3	Very high	15 Å²	15	47 Å²	47	8%	0.079	23%	0.228	C	C	.	.	S	Bend	trans	-89.4	143.7	173.2	-63.2	-173.8	0	0	0	111.2	F430 T431 Q517 I951 H986	F430-L433 HydrophobicContact CB-CB 4.36Å; F430-L433 HydrophobicContact CB-CD1 3.95Å; F430-L433 HydrophobicContact CB-CG 4.26Å; F430-L433 HydrophobicContact CD2-CD1 4.09Å; F430-L433 HydrophobicContact CG-CD1 4.32Å; T431-L433 PolarHBondContact O-N 3.14Å; L433-Q517 HydrophobicContact CD1-CB 4.13Å; L433-I951 HydrophobicContact CD2-CD1 3.72Å; L433-I951 HydrophobicContact CG-CD1 4.29Å; L433-H986 HydrophobicContact CD1-CB 4.19Å; L433-H986 HydrophobicContact CD2-CB 4.17Å
434	Y	84.2	Confident	89.7	Confident	89 Å²	89	48.5 Å²	48.5	35%	0.349	23%	0.23	S	C	.	.			trans	-68.1	134.2	175.8	-162.4	-82.4	0	0	0	110.2	K436 S484 I486 A988	Y434-K436 HydrophobicContact CD1-CD 4.49Å; Y434-K436 HydrophobicContact CD1-CG 3.83Å; Y434-K436 HydrophobicContact CE1-CD 4.05Å; Y434-K436 VanDerWaalsContact CE1-CE 3.43Å; Y434-K436 HydrophobicContact CE1-CG 3.45Å; Y434-K436 VanDerWaalsContact CE1-CG 3.45Å; Y434-S484 WeakPolarHBondContact CE1-OG 3.02Å; Y434-S484 WeakPolarHBondContact OH-CB 2.89Å; Y434-S484 PolarHBondContact OH-OG 3.43Å; Y434-I486 HydrophobicContact CD2-CD1 3.82Å; Y434-I486 HydrophobicContact CD2-CG1 3.94Å; Y434-I486 HydrophobicContact CG-CG1 4.39Å; Y434-A988 WeakPolarHBondContact CB-OXT 2.97Å; Y434-A988 PolarHBondContact N-OXT 3.03Å
435	A	88.9	Confident	89.2	Confident	9 Å²	9	45.6 Å²	45.6	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.3	175.5	0	0	0	0	0	110.5	P426 M429 S484 M485	P426-A435 HydrophobicContact CG-CB 4.28Å; M429-A435 HydrophobicContact CE-CB 3.27Å; M429-A435 HydrophobicContact CG-CB 3.84Å; M429-A435 HydrophobicContact SD-CB 4.33Å; A435-S484 WeakPolarHBondContact O-CA 3.31Å; A435-M485 PolarHBondContact N-O 2.99Å; A435-M485 PolarHBondContact O-N 3.43Å; A435-M485 VanDerWaalsContact O-N 3.1Å
436	K	90.4	Very high	88.9	Confident	90 Å²	90	44.7 Å²	44.7	39%	0.391	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.1	-178.3	-69.6	178.5	171.9	-143.6	0	109.8	P426 Y434 E482 V483	P426-K436 WeakPolarHBondContact CD-O 3.43Å; Y434-K436 HydrophobicContact CD1-CD 4.49Å; Y434-K436 HydrophobicContact CD1-CG 3.83Å; Y434-K436 HydrophobicContact CE1-CD 4.05Å; Y434-K436 VanDerWaalsContact CE1-CE 3.43Å; Y434-K436 HydrophobicContact CE1-CG 3.45Å; Y434-K436 VanDerWaalsContact CE1-CG 3.45Å; K436-E482 HydrophobicContact CB-CG 4.49Å; K436-E482 HydrophobicContact CD-CG 4.38Å; K436-E482 WeakPolarHBondContact CD-OE2 3.41Å; K436-E482 VanDerWaalsContact CE-OE1 3.31Å; K436-E482 WeakPolarHBondContact CE-OE1 3.42Å; K436-E482 HydrophobicContact CG-CG 4.34Å; K436-E482 VanDerWaalsContact NZ-CD 3.28Å; K436-E482 IonicContact NZ-OE1 3.5Å; K436-E482 PolarHBondContact NZ-OE1 2.93Å; K436-E482 IonicContact NZ-OE2 3.84Å; K436-E482 PolarHBondContact NZ-OE2 2.91Å; K436-E482 VanDerWaalsContact NZ-OE2 3.11Å; K436-V483 CarbonylContact C-O 3.55Å; K436-V483 WeakPolarHBondContact CA-O 3.44Å
437	C	92.6	Very high	88.9	Confident	2 Å²	2	51 Å²	51	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.5	168.4	169.9	0	0	0	0	107.7	R424 V483	R424-C437 WeakPolarHBondContact O-CA 3.3Å; R424-C437 PolarHBondContact O-SG 3.34Å; R424-C437 VanDerWaalsContact O-SG 3.38Å; C437-V483 HydrophobicContact CB-CB 4.42Å; C437-V483 PolarHBondContact N-O 3.06Å; C437-V483 PolarHBondContact O-N 2.88Å
438	T	94.1	Very high	88.8	Confident	44 Å²	44	46.6 Å²	46.6	27%	0.27	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.8	176.7	60.4	0	0	0	0	110.2	A423 R424 Y481	A423-T438 CarbonylContact C-O 3.57Å; A423-T438 WeakPolarHBondContact CA-O 3.49Å; R424-T438 WeakPolarHBondContact CB-OG1 3.39Å; R424-T438 PolarHBondContact N-O 3.49Å; R424-T438 PolarHBondContact O-N 3.07Å; R424-T438 VanDerWaalsContact O-N 3.11Å; T438-Y481 CarbonylContact C-O 3.59Å; T438-Y481 WeakPolarHBondContact CA-O 3.37Å
439	I	94.2	Very high	88.3	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123	173.9	-58.6	160.7	0	0	0	108	T422 A423 I457 V459 C480 Y481 V483 V497 I499 I504	T422-I439 CarbonylContact O-C 3.59Å; T422-I439 WeakPolarHBondContact O-CA 3.33Å; A423-I439 HydrophobicContact CB-CG1 4.36Å; I439-I457 HydrophobicContact CD1-CG2 4.18Å; I439-V459 HydrophobicContact CD1-CG2 4.02Å; I439-C480 CarbonylContact O-C 3.43Å; I439-C480 WeakPolarHBondContact O-CA 3.46Å; I439-Y481 PolarHBondContact N-O 2.77Å; I439-Y481 PolarHBondContact O-N 3.01Å; I439-V483 HydrophobicContact CD1-CG2 3.41Å; I439-V483 VanDerWaalsContact CD1-CG2 3.41Å; I439-V483 HydrophobicContact CG1-CG2 4.12Å; I439-V497 HydrophobicContact CD1-CB 4.47Å; I439-V497 HydrophobicContact CD1-CG1 3.48Å; I439-V497 VanDerWaalsContact CD1-CG1 3.48Å; I439-V497 HydrophobicContact CD1-CG2 4.11Å; I439-V497 HydrophobicContact CG1-CG1 4.13Å; I439-V497 HydrophobicContact CG2-CG1 4.45Å; I439-I499 HydrophobicContact CG2-CD1 4.23Å; I439-I504 HydrophobicContact CG2-CD1 4.26Å
440	Q	93	Very high	87.1	Confident	54 Å²	54	48.2 Å²	48.2	25%	0.252	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109.4	173.2	-174.8	65.5	58.4	0	0	109.2	C421 T422 V442 G479	C421-Q440 WeakPolarHBondContact CA-O 3.39Å; C421-Q440 WeakPolarHBondContact CB-O 3.5Å; T422-Q440 PolarHBondContact N-O 3.35Å; T422-Q440 PolarHBondContact O-N 2.99Å; Q440-V442 HydrophobicContact CG-CG1 4.1Å; Q440-G479 PolarHBondContact NE2-O 2.81Å
441	A	92.1	Very high	85.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.			trans	-82.5	135.7	170.1	0	0	0	0	0	110.3	T416 Q449 D455 G479 Y481 I499	T416-A441 HydrophobicContact CG2-CB 4.01Å; A441-Q449 HydrophobicContact CB-CG 4.37Å; A441-Q449 PolarHBondContact O-N 3.17Å; A441-D455 WeakPolarHBondContact CB-OD2 3.43Å; A441-G479 WeakPolarHBondContact CB-O 3.2Å; A441-G479 PolarHBondContact N-O 3.29Å; A441-Y481 HydrophobicContact CB-CD2 4.38Å; A441-Y481 HydrophobicContact CB-CE2 3.78Å; A441-I499 HydrophobicContact CB-CD1 4.28Å
442	V	91.2	Very high	84.6	Confident	13 Å²	13	53.5 Å²	53.5	8%	0.079	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-138.3	153	179.7	-63.1	0	0	0	0	110.5	T416 Y417 L420 Q440 R447	T416-V442 WeakPolarHBondContact CA-O 3.43Å; Y417-V442 PolarHBondContact N-O 3.16Å; L420-V442 HydrophobicContact CB-CG2 3.53Å; L420-V442 WeakPolarHBondContact O-CG2 3.44Å; Q440-V442 HydrophobicContact CG-CG1 4.1Å; V442-R447 CarbonylContact C-O 3.56Å; V442-R447 VanDerWaalsContact CA-O 3.23Å; V442-R447 WeakPolarHBondContact CA-O 3.28Å; V442-R447 WeakPolarHBondContact CB-O 3.04Å
443	D	87.8	Confident	83.4	Confident	27 Å²	27	53.4 Å²	53.4	14%	0.144	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-75.5	179.4	171.3	71.1	9.4	0	0	0	112.3	T415 H445 G446 R447	T415-D443 WeakPolarHBondContact O-CA 3.08Å; D443-H445 PolarHBondContact O-N 2.98Å; D443-H445 VanDerWaalsContact OD1-C 3.24Å; D443-H445 VanDerWaalsContact OD1-CA 3.26Å; D443-H445 WeakPolarHBondContact OD1-CA 3.28Å; D443-H445 WeakPolarHBondContact OD1-CB 3.43Å; D443-H445 PolarHBondContact OD1-N 3.32Å; D443-G446 PolarHBondContact O-N 2.91Å; D443-G446 PolarHBondContact OD1-N 3.49Å; D443-R447 PolarHBondContact N-O 3.38Å; D443-R447 PolarHBondContact OD1-N 2.67Å
444	Y	84.1	Confident	82.8	Confident	49 Å²	49	52.9 Å²	52.9	19%	0.192	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.6	175.7	179	-91.8	0	0	0	113.4	G306 R311 Y417 G446	G306-Y444 PolarHBondContact O-OH 3.29Å; R311-Y444 HydrophobicContact CB-CD1 4.15Å; R311-Y444 HydrophobicContact CB-CD2 4.29Å; R311-Y444 HydrophobicContact CB-CE1 4.47Å; R311-Y444 HydrophobicContact CB-CG 4.07Å; R311-Y444 HydrophobicContact CG-CD1 3.81Å; R311-Y444 HydrophobicContact CG-CD2 4.03Å; R311-Y444 HydrophobicContact CG-CE1 3.64Å; R311-Y444 HydrophobicContact CG-CE2 3.83Å; R311-Y444 HydrophobicContact CG-CG 4.03Å; Y417-Y444 HydrophobicContact CD1-CD2 4.49Å; Y417-Y444 HydrophobicContact CD2-CD2 4.24Å; Y417-Y444 HydrophobicContact CE1-CD2 4.44Å; Y417-Y444 HydrophobicContact CE2-CD2 4.24Å; Y417-Y444 HydrophobicContact CG-CD2 4.36Å; Y444-G446 VanDerWaalsContact C-N 3.32Å
445	H	84.8	Confident	82.9	Confident	132 Å²	132	49.4 Å²	49.4	61%	0.611	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	4.5	177.8	-60.1	-62.1	0	0	0	113.1	D443 R447	D443-H445 PolarHBondContact O-N 2.98Å; D443-H445 VanDerWaalsContact OD1-C 3.24Å; D443-H445 VanDerWaalsContact OD1-CA 3.26Å; D443-H445 WeakPolarHBondContact OD1-CA 3.28Å; D443-H445 WeakPolarHBondContact OD1-CB 3.43Å; D443-H445 PolarHBondContact OD1-N 3.32Å; H445-R447 VanDerWaalsContact C-N 3.26Å; H445-R447 HydrophobicContact CB-CG 4.32Å; H445-R447 PolarHBondContact O-N 2.94Å
446	G	84.8	Confident	82.8	Confident	43 Å²	43	51 Å²	51	44%	0.443	29%	0.286	S	S	.	.	S	Bend	trans	74.6	12.6	-178.7	0	0	0	0	0	114.1	D443 Y444	D443-G446 PolarHBondContact O-N 2.91Å; D443-G446 PolarHBondContact OD1-N 3.49Å; Y444-G446 VanDerWaalsContact C-N 3.32Å
447	R	86.8	Confident	82.8	Confident	169 Å²	169	47.4 Å²	47.4	64%	0.638	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-84.7	136.2	178.2	-59.4	175.5	-180	178.2	0.4	109.4	V442 D443 H445	V442-R447 CarbonylContact C-O 3.56Å; V442-R447 VanDerWaalsContact CA-O 3.23Å; V442-R447 WeakPolarHBondContact CA-O 3.28Å; V442-R447 WeakPolarHBondContact CB-O 3.04Å; D443-R447 PolarHBondContact N-O 3.38Å; D443-R447 PolarHBondContact OD1-N 2.67Å; H445-R447 VanDerWaalsContact C-N 3.26Å; H445-R447 HydrophobicContact CB-CG 4.32Å; H445-R447 PolarHBondContact O-N 2.94Å
448	P	85	Confident	82.7	Confident	80 Å²	80	51.2 Å²	51.2	52%	0.519	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-55.4	141.2	171.7	-24.9	34.6	0	0	0	111.2	S450	P448-S450 PolarHBondContact O-N 3.49Å
449	Q	77.5	Confident	82.7	Confident	15 Å²	15	49.7 Å²	49.7	7%	0.07	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-62.2	126.5	169.4	-69.4	-64.2	-32.8	0	0	109.5	T415 T416 A441 N478 G479	T415-Q449 PolarHBondContact OG1-NE2 3.14Å; T415-Q449 PolarHBondContact OG1-OE1 3.21Å; T416-Q449 WeakPolarHBondContact OG1-CG 3.47Å; T416-Q449 PolarHBondContact OG1-NE2 3.3Å; A441-Q449 HydrophobicContact CB-CG 4.37Å; A441-Q449 PolarHBondContact O-N 3.17Å; Q449-N478 CarbonylContact O-C 2.95Å; Q449-G479 WeakPolarHBondContact O-CA 3.17Å; Q449-G479 PolarHBondContact O-N 3.11Å
450	S	66.5	Low	82.8	Confident	97 Å²	97	51.5 Å²	51.5	68%	0.678	29%	0.294	S	S	*	.			trans	-88.8	-9.8	178.2	53.6	0	0	0	0	113.5	P448	P448-S450 PolarHBondContact O-N 3.49Å
451	N	65.6	Low	82.9	Confident	96 Å²	96	48.9 Å²	48.9	51%	0.513	28%	0.282	S	S	.	.	S	Bend	trans	-106	118.6	-168.4	-65.2	19	0	0	0	109.2	T454	N451-T454 HydrophobicContact CB-CG2 3.72Å; N451-T454 PolarHBondContact O-OG1 3.11Å
452	S	60.4	Low	83	Confident	60 Å²	60	50.5 Å²	50.5	42%	0.42	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	138.4	178.2	59.7	0	0	0	0	112.6	R410	R410-S452 PolarHBondContact NH2-O 3.49Å
453	G	61.8	Low	83.1	Confident	37 Å²	37	50.1 Å²	50.1	38%	0.381	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	20.7	166.8	0	0	0	0	0	114.2	V412 D475	V412-G453 WeakPolarHBondContact CG1-O 3.37Å; G453-D475 WeakPolarHBondContact CA-OD2 3.38Å; G453-D475 PolarHBondContact N-OD2 2.88Å
454	T	73.8	Confident	83.3	Confident	5 Å²	5	52 Å²	52	3%	0.031	30%	0.303	C	S	.	.			trans	-92.3	-28.7	-168.9	48	0	0	0	0	114.7	F315 V412 V413 N451	F315-T454 WeakPolarHBondContact CE1-O 3.16Å; V412-T454 WeakPolarHBondContact CG1-O 3.41Å; V413-T454 WeakPolarHBondContact O-CB 3.43Å; V413-T454 WeakPolarHBondContact O-CG2 3.5Å; N451-T454 HydrophobicContact CB-CG2 3.72Å; N451-T454 PolarHBondContact O-OG1 3.11Å
455	D	85	Confident	83.6	Confident	15 Å²	15	56.8 Å²	56.8	8%	0.08	32%	0.321	C	S	.	.			trans	-94.5	127.7	-170.6	-55.6	-55.7	0	0	0	112.1	S414 T416 A441 I457 Y481 I499	S414-D455 VanDerWaalsContact CB-OD1 3.29Å; S414-D455 WeakPolarHBondContact CB-OD1 3.21Å; S414-D455 PolarHBondContact OG-OD1 2.87Å; T416-D455 WeakPolarHBondContact CB-OD1 3.33Å; T416-D455 PolarHBondContact OG1-OD1 3.16Å; T416-D455 PolarHBondContact OG1-OD2 2.68Å; A441-D455 WeakPolarHBondContact CB-OD2 3.43Å; D455-I457 HydrophobicContact CB-CD1 4.31Å; D455-I457 HydrophobicContact CB-CG1 3.9Å; D455-I457 PolarHBondContact O-N 3.13Å; D455-Y481 HydrophobicContact CB-CE2 4.4Å; D455-Y481 WeakPolarHBondContact CB-OH 3.39Å; D455-Y481 VanDerWaalsContact CG-OH 3.25Å; D455-Y481 PolarHBondContact N-OH 3.38Å; D455-Y481 PolarHBondContact OD2-OH 2.84Å; D455-I499 HydrophobicContact CB-CG2 4.11Å
456	P	87.3	Confident	83.8	Confident	42 Å²	42	53 Å²	53	27%	0.273	32%	0.318	S	S	.	.			trans	-76.3	92.9	170.7	31.9	-33.6	0	0	0	108.8	F315 I499 L500	F315-P456 HydrophobicContact CD1-CG 4.37Å; F315-P456 HydrophobicContact CD2-CG 3.88Å; F315-P456 HydrophobicContact CE1-CG 4.07Å; F315-P456 HydrophobicContact CE2-CB 3.94Å; F315-P456 HydrophobicContact CE2-CG 3.56Å; F315-P456 HydrophobicContact CG-CG 4.28Å; F315-P456 HydrophobicContact CZ-CB 3.92Å; F315-P456 HydrophobicContact CZ-CG 3.66Å; P456-I499 WeakPolarHBondContact O-CA 3.09Å; P456-L500 HydrophobicContact CG-CD2 3.45Å; P456-L500 VanDerWaalsContact CG-CD2 3.45Å; P456-L500 HydrophobicContact CG-CG 3.95Å; P456-L500 PolarHBondContact O-N 3.17Å; P456-L500 VanDerWaalsContact O-N 3.13Å
457	I	89.8	Confident	84.1	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.082	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.5	179.1	-52.4	-159.4	0	0	0	110	H328 I439 D455 V459 Y481 K498 I499	H328-I457 PolarHBondContact CE1-O 2.87Å; H328-I457 VanDerWaalsContact CE1-O 3.25Å; I439-I457 HydrophobicContact CD1-CG2 4.18Å; D455-I457 HydrophobicContact CB-CD1 4.31Å; D455-I457 HydrophobicContact CB-CG1 3.9Å; D455-I457 PolarHBondContact O-N 3.13Å; I457-V459 HydrophobicContact CG2-CG2 3.91Å; I457-Y481 HydrophobicContact CD1-CD1 3.56Å; I457-Y481 HydrophobicContact CD1-CD2 3.27Å; I457-Y481 HydrophobicContact CD1-CE1 3.69Å; I457-Y481 HydrophobicContact CD1-CE2 3.43Å; I457-Y481 VanDerWaalsContact CD1-CE2 3.43Å; I457-Y481 HydrophobicContact CD1-CG 3.35Å; I457-Y481 HydrophobicContact CG1-CD1 4.42Å; I457-Y481 HydrophobicContact CG1-CE1 4.28Å; I457-K498 WeakPolarHBondContact CA-O 3.03Å; I457-I499 HydrophobicContact CD1-CD1 4.08Å; I457-I499 HydrophobicContact CD1-CG1 4.21Å; I457-I499 HydrophobicContact CG1-CD1 4.41Å; I457-I499 HydrophobicContact CG1-CG1 4.05Å; I457-I499 HydrophobicContact CG2-CG1 4.49Å
458	E	92.3	Very high	84.2	Confident	82 Å²	82	52.4 Å²	52.4	38%	0.383	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.1	171.2	-66.4	175.1	-174.3	0	0	109.2	K498	E458-K498 HydrophobicContact CB-CB 4.36Å; E458-K498 PolarHBondContact N-O 3.41Å; E458-K498 PolarHBondContact O-N 3.46Å
459	V	94	Very high	84.4	Confident	12 Å²	12	48.9 Å²	48.9	7%	0.073	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.3	175.7	-175.2	0	0	0	0	109.4	I439 I457 I473 V483 L495 S496 V497	I439-V459 HydrophobicContact CD1-CG2 4.02Å; I457-V459 HydrophobicContact CG2-CG2 3.91Å; V459-I473 HydrophobicContact CB-CD1 3.95Å; V459-I473 HydrophobicContact CG2-CD1 3.58Å; V459-I473 HydrophobicContact CG2-CG1 4.21Å; V459-V483 HydrophobicContact CB-CG1 4.49Å; V459-V483 HydrophobicContact CG1-CG1 3.91Å; V459-V483 HydrophobicContact CG2-CG1 4.47Å; V459-V483 HydrophobicContact CG2-CG2 3.96Å; V459-L495 HydrophobicContact CG1-CD1 3.57Å; V459-S496 WeakPolarHBondContact CA-O 3.44Å; V459-V497 HydrophobicContact CG1-CG2 4.38Å; V459-V497 HydrophobicContact CG2-CG1 4.44Å; V459-V497 HydrophobicContact CG2-CG2 4.39Å
460	A	94.8	Very high	84.8	Confident	37 Å²	37	50.1 Å²	50.1	31%	0.306	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.5	171.7	0	0	0	0	0	109.3	L468 S496	A460-L468 HydrophobicContact CB-CD1 3.91Å; A460-S496 PolarHBondContact N-O 2.94Å; A460-S496 PolarHBondContact O-N 3.18Å
461	F	95.2	Very high	85.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.8	173.1	-173	-129.2	0	0	0	109	M429 V469 T471 M485 T487 H493 K494 L495 V511	M429-F461 HydrophobicContact CE-CE1 4.45Å; M429-F461 HydrophobicContact CE-CZ 4.1Å; M429-F461 HydrophobicContact SD-CE1 4.3Å; M429-F461 HydrophobicContact SD-CZ 3.77Å; F461-V469 HydrophobicContact CB-CB 4.46Å; F461-V469 HydrophobicContact CD1-CB 3.58Å; F461-V469 HydrophobicContact CD1-CG1 3.71Å; F461-V469 HydrophobicContact CD1-CG2 3.99Å; F461-V469 HydrophobicContact CE1-CB 4.26Å; F461-V469 HydrophobicContact CE1-CG1 4.16Å; F461-V469 HydrophobicContact CE1-CG2 4.29Å; F461-V469 HydrophobicContact CG-CB 4.37Å; F461-V469 WeakPolarHBondContact O-CB 3.37Å; F461-V469 PolarHBondContact O-N 3.36Å; F461-T471 HydrophobicContact CB-CG2 3.54Å; F461-T471 HydrophobicContact CG-CG2 4.47Å; F461-M485 HydrophobicContact CB-CE 4.48Å; F461-M485 HydrophobicContact CB-SD 4.23Å; F461-M485 HydrophobicContact CD1-CB 4.1Å; F461-M485 HydrophobicContact CD1-CG 4.03Å; F461-M485 HydrophobicContact CD1-SD 3.39Å; F461-M485 WeakPolarHBondContact CD1-SD 3.16Å; F461-M485 HydrophobicContact CD2-SD 3.82Å; F461-M485 HydrophobicContact CE1-CB 4.45Å; F461-M485 HydrophobicContact CE1-CG 4.04Å; F461-M485 HydrophobicContact CE1-SD 3.55Å; F461-M485 VanDerWaalsContact CE1-SD 3.55Å; F461-M485 HydrophobicContact CE2-SD 3.94Å; F461-M485 HydrophobicContact CG-CE 4.39Å; F461-M485 HydrophobicContact CG-SD 3.55Å; F461-M485 VanDerWaalsContact CG-SD 3.55Å; F461-M485 HydrophobicContact CZ-SD 3.83Å; F461-T487 HydrophobicContact CE1-CG2 4.26Å; F461-H493 HydrophobicContact CD2-CB 4.31Å; F461-H493 AromaticContact CE1-CD2 3.72Å; F461-H493 HydrophobicContact CE2-CB 3.41Å; F461-H493 VanDerWaalsContact CE2-CB 3.41Å; F461-H493 HydrophobicContact CZ-CB 3.52Å; F461-H493 AromaticContact CZ-CD2 3.5Å; F461-H493 AromaticContact CZ-CG 3.68Å; F461-K494 WeakPolarHBondContact CA-O 3.4Å; F461-L495 HydrophobicContact CB-CD1 3.94Å; F461-L495 HydrophobicContact CD2-CB 3.97Å; F461-L495 HydrophobicContact CD2-CD1 3.9Å; F461-L495 HydrophobicContact CE2-CB 4.48Å; F461-L495 HydrophobicContact CG-CD1 4.28Å; F461-V511 HydrophobicContact CE2-CB 4.29Å
462	T	94.6	Very high	86.7	Confident	33 Å²	33	44.6 Å²	44.6	20%	0.202	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.8	-176.5	61.4	0	0	0	0	112.4	H467 L468 H493 K494	T462-H467 CarbonylContact C-O 3.34Å; T462-H467 WeakPolarHBondContact CA-O 3.45Å; T462-L468 HydrophobicContact CG2-CD1 4.27Å; T462-H493 VanDerWaalsContact O-CA 3.29Å; T462-H493 WeakPolarHBondContact O-CA 3.45Å; T462-H493 VanDerWaalsContact O-CB 3.32Å; T462-H493 WeakPolarHBondContact O-CB 3.34Å; T462-K494 PolarHBondContact N-O 3.48Å; T462-K494 PolarHBondContact O-N 2.81Å; T462-K494 PolarHBondContact OG1-O 3.15Å
463	D	92.5	Very high	88	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.027	26%	0.258	C	S	.	.			trans	-68.8	169.5	174.2	85.6	-0.2	0	0	0	112.1	R465 G466 H467 V469 F489	D463-R465 PolarHBondContact O-N 3.42Å; D463-R465 VanDerWaalsContact OD1-C 3.29Å; D463-R465 VanDerWaalsContact OD1-CA 3.29Å; D463-R465 WeakPolarHBondContact OD1-CA 3.46Å; D463-R465 WeakPolarHBondContact OD1-CB 3.43Å; D463-R465 PolarHBondContact OD1-N 2.71Å; D463-R465 IonicContact OD2-CZ 3.56Å; D463-R465 IonicContact OD2-NE 3.11Å; D463-R465 PolarHBondContact OD2-NE 3.4Å; D463-R465 IonicContact OD2-NH2 2.93Å; D463-R465 PolarHBondContact OD2-NH2 3.41Å; D463-G466 PolarHBondContact O-N 2.78Å; D463-G466 PolarHBondContact OD1-N 2.77Å; D463-H467 PolarHBondContact N-O 2.76Å; D463-H467 IonicContact OD1-CG 3.21Å; D463-H467 PolarHBondContact OD1-N 2.67Å; D463-H467 IonicContact OD1-ND1 3.91Å; D463-H467 PolarHBondContact OD1-ND1 2.98Å; D463-H467 IonicContact OD2-CG 2.62Å; D463-H467 IonicContact OD2-ND1 3.47Å; D463-H467 PolarHBondContact OD2-ND1 3.44Å; D463-V469 HydrophobicContact CB-CG2 4.15Å; D463-F489 HydrophobicContact CB-CB 4.42Å; D463-F489 HydrophobicContact CB-CD2 4.01Å; D463-F489 WeakPolarHBondContact OD2-CD2 3.47Å
464	P	92.3	Very high	89.2	Confident	68 Å²	68	46.4 Å²	46.4	44%	0.442	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.8	-179.4	-22.6	33.4	0	0	0	114.4	L492 H493	P464-L492 WeakPolarHBondContact CG-O 3.42Å; P464-H493 VanDerWaalsContact CD-CE1 3.49Å; P464-H493 WeakPolarHBondContact CD-CE1 3.25Å
465	R	90.7	Very high	89.8	Confident	148 Å²	148	48.5 Å²	48.5	56%	0.558	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	0.3	176.5	-57.5	172.9	-61.5	176	7	111.8	D463 H467	D463-R465 PolarHBondContact O-N 3.42Å; D463-R465 VanDerWaalsContact OD1-C 3.29Å; D463-R465 VanDerWaalsContact OD1-CA 3.29Å; D463-R465 WeakPolarHBondContact OD1-CA 3.46Å; D463-R465 WeakPolarHBondContact OD1-CB 3.43Å; D463-R465 PolarHBondContact OD1-N 2.71Å; D463-R465 IonicContact OD2-CZ 3.56Å; D463-R465 IonicContact OD2-NE 3.11Å; D463-R465 PolarHBondContact OD2-NE 3.4Å; D463-R465 IonicContact OD2-NH2 2.93Å; D463-R465 PolarHBondContact OD2-NH2 3.41Å; R465-H467 WeakPolarHBondContact CB-ND1 3.31Å
466	G	89.9	Confident	89.7	Confident	54 Å²	54	51.9 Å²	51.9	56%	0.557	29%	0.286	S	S	*	.	S	Bend	trans	86.9	6.5	179.2	0	0	0	0	0	115.1	D463	D463-G466 PolarHBondContact O-N 2.78Å; D463-G466 PolarHBondContact OD1-N 2.77Å
467	H	90.1	Very high	89.4	Confident	93 Å²	93	50.9 Å²	50.9	43%	0.431	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-79.2	140.7	177.6	-56.5	95	0	0	0	111	T462 D463 R465 V469	T462-H467 CarbonylContact C-O 3.34Å; T462-H467 WeakPolarHBondContact CA-O 3.45Å; D463-H467 PolarHBondContact N-O 2.76Å; D463-H467 IonicContact OD1-CG 3.21Å; D463-H467 PolarHBondContact OD1-N 2.67Å; D463-H467 IonicContact OD1-ND1 3.91Å; D463-H467 PolarHBondContact OD1-ND1 2.98Å; D463-H467 IonicContact OD2-CG 2.62Å; D463-H467 IonicContact OD2-ND1 3.47Å; D463-H467 PolarHBondContact OD2-ND1 3.44Å; R465-H467 WeakPolarHBondContact CB-ND1 3.31Å; H467-V469 PolarHBondContact O-N 2.68Å
468	L	90.2	Very high	89.1	Confident	105 Å²	105	54.1 Å²	54.1	55%	0.55	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.2	175.6	-169.2	72.3	0	0	0	110.6	A460 T462	A460-L468 HydrophobicContact CB-CD1 3.91Å; T462-L468 HydrophobicContact CG2-CD1 4.27Å
469	V	88.1	Confident	88.6	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.3	170.4	178.5	0	0	0	0	108.1	F461 D463 H467 T471 I486	F461-V469 HydrophobicContact CB-CB 4.46Å; F461-V469 HydrophobicContact CD1-CB 3.58Å; F461-V469 HydrophobicContact CD1-CG1 3.71Å; F461-V469 HydrophobicContact CD1-CG2 3.99Å; F461-V469 HydrophobicContact CE1-CB 4.26Å; F461-V469 HydrophobicContact CE1-CG1 4.16Å; F461-V469 HydrophobicContact CE1-CG2 4.29Å; F461-V469 HydrophobicContact CG-CB 4.37Å; F461-V469 WeakPolarHBondContact O-CB 3.37Å; F461-V469 PolarHBondContact O-N 3.36Å; D463-V469 HydrophobicContact CB-CG2 4.15Å; H467-V469 PolarHBondContact O-N 2.68Å; V469-T471 PolarHBondContact O-N 2.77Å; V469-I486 VanDerWaalsContact CG1-O 3.24Å; V469-I486 WeakPolarHBondContact CG1-O 3.38Å
470	P	85.1	Confident	88.4	Confident	40 Å²	40	50.4 Å²	50.4	26%	0.26	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-58.3	132.2	175.4	-23.9	33.7	0	0	0	112.3	Y944	P470-Y944 HydrophobicContact CG-CD2 3.41Å; P470-Y944 VanDerWaalsContact CG-CD2 3.41Å; P470-Y944 HydrophobicContact CG-CE2 3.93Å; P470-Y944 HydrophobicContact CG-CG 3.94Å
471	T	87.1	Confident	88.2	Confident	18 Å²	18	49 Å²	49	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.3	176.4	59.7	0	0	0	0	110.3	F461 V469 S484 M485	F461-T471 HydrophobicContact CB-CG2 3.54Å; F461-T471 HydrophobicContact CG-CG2 4.47Å; V469-T471 PolarHBondContact O-N 2.77Å; T471-S484 WeakPolarHBondContact CA-O 3.41Å; T471-M485 HydrophobicContact CG2-CB 3.98Å; T471-M485 HydrophobicContact CG2-CE 4.03Å
472	D	85.7	Confident	88.1	Confident	59 Å²	59	50.4 Å²	50.4	32%	0.316	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.7	172	-70.7	-36.9	0	0	0	108.8	V483 S484 K841 R941	D472-V483 WeakPolarHBondContact O-CA 3.41Å; D472-S484 PolarHBondContact N-O 3.11Å; D472-S484 PolarHBondContact O-N 2.86Å; D472-K841 IonicContact OD2-NZ 3.57Å; D472-R941 IonicContact OD1-CZ 3.8Å; D472-R941 IonicContact OD1-NH1 3.05Å; D472-R941 PolarHBondContact OD1-NH1 3.33Å
473	I	87.6	Confident	87.9	Confident	63 Å²	63	48.9 Å²	48.9	32%	0.323	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.3	179.7	-54.3	172.7	0	0	0	107.3	V459 Y481 E482 V483	V459-I473 HydrophobicContact CB-CD1 3.95Å; V459-I473 HydrophobicContact CG2-CD1 3.58Å; V459-I473 HydrophobicContact CG2-CG1 4.21Å; I473-Y481 HydrophobicContact CG2-CD1 4.49Å; I473-E482 CarbonylContact C-O 3.5Å; I473-E482 WeakPolarHBondContact CA-O 3.22Å; I473-V483 HydrophobicContact CG1-CG2 4.39Å
474	L	86.7	Confident	87.8	Confident	73 Å²	73	48.8 Å²	48.8	38%	0.382	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.9	173.2	175.2	68	0	0	0	108.9	Y481 E482	L474-Y481 CarbonylContact O-C 3.54Å; L474-Y481 VanDerWaalsContact O-CA 3.31Å; L474-Y481 WeakPolarHBondContact O-CA 3.46Å; L474-E482 HydrophobicContact CB-CB 4.33Å; L474-E482 PolarHBondContact N-O 2.98Å; L474-E482 PolarHBondContact O-N 3.39Å
475	D	86.4	Confident	87.6	Confident	49 Å²	49	46 Å²	46	26%	0.262	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.1	168.9	179.1	13.9	0	0	0	109.9	G453 G477 Y481	G453-D475 WeakPolarHBondContact CA-OD2 3.38Å; G453-D475 PolarHBondContact N-OD2 2.88Å; D475-G477 WeakPolarHBondContact OD1-CA 3.15Å; D475-G477 PolarHBondContact OD1-N 3.06Å; D475-Y481 HydrophobicContact CB-CD1 3.81Å; D475-Y481 HydrophobicContact CB-CE1 3.78Å
476	I	84.1	Confident	87.4	Confident	85 Å²	85	41.2 Å²	41.2	44%	0.436	24%	0.235	S	C	.	.			trans	-80.5	-11.3	178.3	-57.3	174.1	0	0	0	110.7	N478 C480 E482	I476-N478 VanDerWaalsContact C-N 3.3Å; I476-N478 PolarHBondContact O-N 3.49Å; I476-C480 HydrophobicContact CB-CB 4.46Å; I476-C480 VanDerWaalsContact CB-O 3.3Å; I476-C480 WeakPolarHBondContact CB-O 3.44Å; I476-C480 HydrophobicContact CD1-CB 4.16Å; I476-C480 PolarHBondContact N-O 3.03Å; I476-E482 HydrophobicContact CD1-CB 4.36Å
477	G	79.9	Confident	87.2	Confident	21 Å²	21	38.7 Å²	38.7	22%	0.216	21%	0.209	C	C	.	.	S	Bend	trans	84	-0.4	174.3	0	0	0	0	0	115	D475	D475-G477 WeakPolarHBondContact OD1-CA 3.15Å; D475-G477 PolarHBondContact OD1-N 3.06Å
478	N	83.3	Confident	86.9	Confident	85 Å²	85	35.8 Å²	35.8	46%	0.455	20%	0.198	S	C	.	.	S	Bend	trans	-112.8	25.8	177.1	66.3	-4.9	0	0	0	112.3	Q449 I476 C480	Q449-N478 CarbonylContact O-C 2.95Å; I476-N478 VanDerWaalsContact C-N 3.3Å; I476-N478 PolarHBondContact O-N 3.49Å; N478-C480 PolarHBondContact O-N 2.93Å; N478-C480 WeakPolarHBondContact OD1-CB 3.41Å; N478-C480 PolarHBondContact OD1-N 2.98Å; N478-C480 VanDerWaalsContact OD1-N 3.12Å
479	G	83.2	Confident	86.8	Confident	1 Å²	1	33 Å²	33	1%	0.01	18%	0.182	C	C	.	.	S	Bend	trans	75.6	3.2	-175.3	0	0	0	0	0	113.9	Q440 A441 Q449	Q440-G479 PolarHBondContact NE2-O 2.81Å; A441-G479 WeakPolarHBondContact CB-O 3.2Å; A441-G479 PolarHBondContact N-O 3.29Å; Q449-G479 WeakPolarHBondContact O-CA 3.17Å; Q449-G479 PolarHBondContact O-N 3.11Å
480	C	89.6	Confident	86.9	Confident	15 Å²	15	35.5 Å²	35.5	10%	0.101	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135	170.4	-168.2	0	0	0	0	110.3	I439 I476 N478	I439-C480 CarbonylContact O-C 3.43Å; I439-C480 WeakPolarHBondContact O-CA 3.46Å; I476-C480 HydrophobicContact CB-CB 4.46Å; I476-C480 VanDerWaalsContact CB-O 3.3Å; I476-C480 WeakPolarHBondContact CB-O 3.44Å; I476-C480 HydrophobicContact CD1-CB 4.16Å; I476-C480 PolarHBondContact N-O 3.03Å; N478-C480 PolarHBondContact O-N 2.93Å; N478-C480 WeakPolarHBondContact OD1-CB 3.41Å; N478-C480 PolarHBondContact OD1-N 2.98Å; N478-C480 VanDerWaalsContact OD1-N 3.12Å
481	Y	91	Very high	87.4	Confident	8 Å²	8	34.5 Å²	34.5	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.6	179	-57.8	-99.5	0	0	0	109.2	T438 I439 A441 D455 I457 I473 L474 D475	T438-Y481 CarbonylContact C-O 3.59Å; T438-Y481 WeakPolarHBondContact CA-O 3.37Å; I439-Y481 PolarHBondContact N-O 2.77Å; I439-Y481 PolarHBondContact O-N 3.01Å; A441-Y481 HydrophobicContact CB-CD2 4.38Å; A441-Y481 HydrophobicContact CB-CE2 3.78Å; D455-Y481 HydrophobicContact CB-CE2 4.4Å; D455-Y481 WeakPolarHBondContact CB-OH 3.39Å; D455-Y481 VanDerWaalsContact CG-OH 3.25Å; D455-Y481 PolarHBondContact N-OH 3.38Å; D455-Y481 PolarHBondContact OD2-OH 2.84Å; I457-Y481 HydrophobicContact CD1-CD1 3.56Å; I457-Y481 HydrophobicContact CD1-CD2 3.27Å; I457-Y481 HydrophobicContact CD1-CE1 3.69Å; I457-Y481 HydrophobicContact CD1-CE2 3.43Å; I457-Y481 VanDerWaalsContact CD1-CE2 3.43Å; I457-Y481 HydrophobicContact CD1-CG 3.35Å; I457-Y481 HydrophobicContact CG1-CD1 4.42Å; I457-Y481 HydrophobicContact CG1-CE1 4.28Å; I473-Y481 HydrophobicContact CG2-CD1 4.49Å; L474-Y481 CarbonylContact O-C 3.54Å; L474-Y481 VanDerWaalsContact O-CA 3.31Å; L474-Y481 WeakPolarHBondContact O-CA 3.46Å; D475-Y481 HydrophobicContact CB-CD1 3.81Å; D475-Y481 HydrophobicContact CB-CE1 3.78Å
482	E	91.4	Very high	87.7	Confident	28 Å²	28	38.5 Å²	38.5	13%	0.131	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.7	174.6	-175	177.7	98.8	0	0	109.3	K436 I473 L474 I476	K436-E482 HydrophobicContact CB-CG 4.49Å; K436-E482 HydrophobicContact CD-CG 4.38Å; K436-E482 WeakPolarHBondContact CD-OE2 3.41Å; K436-E482 VanDerWaalsContact CE-OE1 3.31Å; K436-E482 WeakPolarHBondContact CE-OE1 3.42Å; K436-E482 HydrophobicContact CG-CG 4.34Å; K436-E482 VanDerWaalsContact NZ-CD 3.28Å; K436-E482 IonicContact NZ-OE1 3.5Å; K436-E482 PolarHBondContact NZ-OE1 2.93Å; K436-E482 IonicContact NZ-OE2 3.84Å; K436-E482 PolarHBondContact NZ-OE2 2.91Å; K436-E482 VanDerWaalsContact NZ-OE2 3.11Å; I473-E482 CarbonylContact C-O 3.5Å; I473-E482 WeakPolarHBondContact CA-O 3.22Å; L474-E482 HydrophobicContact CB-CB 4.33Å; L474-E482 PolarHBondContact N-O 2.98Å; L474-E482 PolarHBondContact O-N 3.39Å; I476-E482 HydrophobicContact CD1-CB 4.36Å
483	V	91.9	Very high	88.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.3	172.9	-172.8	0	0	0	0	108.7	K436 C437 I439 V459 D472 I473 M485	K436-V483 CarbonylContact C-O 3.55Å; K436-V483 WeakPolarHBondContact CA-O 3.44Å; C437-V483 HydrophobicContact CB-CB 4.42Å; C437-V483 PolarHBondContact N-O 3.06Å; C437-V483 PolarHBondContact O-N 2.88Å; I439-V483 HydrophobicContact CD1-CG2 3.41Å; I439-V483 VanDerWaalsContact CD1-CG2 3.41Å; I439-V483 HydrophobicContact CG1-CG2 4.12Å; V459-V483 HydrophobicContact CB-CG1 4.49Å; V459-V483 HydrophobicContact CG1-CG1 3.91Å; V459-V483 HydrophobicContact CG2-CG1 4.47Å; V459-V483 HydrophobicContact CG2-CG2 3.96Å; D472-V483 WeakPolarHBondContact O-CA 3.41Å; I473-V483 HydrophobicContact CG1-CG2 4.39Å; V483-M485 HydrophobicContact CB-CE 4.28Å; V483-M485 HydrophobicContact CG1-CE 3.4Å
484	S	88.7	Confident	88.6	Confident	4 Å²	4	38.1 Å²	38.1	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.3	-175	-70.5	0	0	0	0	111.5	Y434 A435 T471 D472	Y434-S484 WeakPolarHBondContact CE1-OG 3.02Å; Y434-S484 WeakPolarHBondContact OH-CB 2.89Å; Y434-S484 PolarHBondContact OH-OG 3.43Å; A435-S484 WeakPolarHBondContact O-CA 3.31Å; T471-S484 WeakPolarHBondContact CA-O 3.41Å; D472-S484 PolarHBondContact N-O 3.11Å; D472-S484 PolarHBondContact O-N 2.86Å
485	M	88.4	Confident	89.1	Confident	8 Å²	8	34.7 Å²	34.7	4%	0.039	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.1	-174.9	61.5	-160	63.5	0	0	112.1	M429 A435 F461 T471 V483 L495	M429-M485 HydrophobicContact CE-CG 3.58Å; M429-M485 HydrophobicContact CE-SD 3.56Å; M429-M485 VanDerWaalsContact CE-SD 3.56Å; A435-M485 PolarHBondContact N-O 2.99Å; A435-M485 PolarHBondContact O-N 3.43Å; A435-M485 VanDerWaalsContact O-N 3.1Å; F461-M485 HydrophobicContact CB-CE 4.48Å; F461-M485 HydrophobicContact CB-SD 4.23Å; F461-M485 HydrophobicContact CD1-CB 4.1Å; F461-M485 HydrophobicContact CD1-CG 4.03Å; F461-M485 HydrophobicContact CD1-SD 3.39Å; F461-M485 WeakPolarHBondContact CD1-SD 3.16Å; F461-M485 HydrophobicContact CD2-SD 3.82Å; F461-M485 HydrophobicContact CE1-CB 4.45Å; F461-M485 HydrophobicContact CE1-CG 4.04Å; F461-M485 HydrophobicContact CE1-SD 3.55Å; F461-M485 VanDerWaalsContact CE1-SD 3.55Å; F461-M485 HydrophobicContact CE2-SD 3.94Å; F461-M485 HydrophobicContact CG-CE 4.39Å; F461-M485 HydrophobicContact CG-SD 3.55Å; F461-M485 VanDerWaalsContact CG-SD 3.55Å; F461-M485 HydrophobicContact CZ-SD 3.83Å; T471-M485 HydrophobicContact CG2-CB 3.98Å; T471-M485 HydrophobicContact CG2-CE 4.03Å; V483-M485 HydrophobicContact CB-CE 4.28Å; V483-M485 HydrophobicContact CG1-CE 3.4Å; M485-L495 HydrophobicContact CE-CD1 3.99Å
486	I	86.1	Confident	89.5	Confident	48 Å²	48	33.8 Å²	33.8	25%	0.246	19%	0.189	C	C	.	.			trans	-132.3	130.1	171.4	-65.5	163.1	0	0	0	106.8	Y434 V469 L945	Y434-I486 HydrophobicContact CD2-CD1 3.82Å; Y434-I486 HydrophobicContact CD2-CG1 3.94Å; Y434-I486 HydrophobicContact CG-CG1 4.39Å; V469-I486 VanDerWaalsContact CG1-O 3.24Å; V469-I486 WeakPolarHBondContact CG1-O 3.38Å; I486-L945 HydrophobicContact CD1-CD2 3.92Å
487	T	87.5	Confident	90.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	17%	0.169	C	C	.	.			trans	-124	136.9	175.8	178.9	0	0	0	0	110.7	T431 H432 F461 F489 H493 V513	T431-T487 CarbonylContact C-O 3.57Å; T431-T487 WeakPolarHBondContact CA-O 3.37Å; H432-T487 PolarHBondContact N-O 3.06Å; F461-T487 HydrophobicContact CE1-CG2 4.26Å; T487-F489 VanDerWaalsContact C-N 3.29Å; T487-F489 PolarHBondContact OG1-N 3.45Å; T487-H493 PolarHBondContact OG1-NE2 3.31Å; T487-V513 HydrophobicContact CG2-CB 4.4Å; T487-V513 HydrophobicContact CG2-CG1 3.82Å; T487-V513 HydrophobicContact CG2-CG2 4.02Å
488	P	83.3	Confident	90.8	Very high	32 Å²	32	32 Å²	32	21%	0.208	17%	0.172	C	C	.	.	S	Bend	trans	-85.2	-3.6	172.9	36.2	-36.1	0	0	0	112.6	H432	H432-P488 WeakPolarHBondContact CE1-CB 3.41Å
489	F	88	Confident	91.2	Very high	47 Å²	47	27.9 Å²	27.9	21%	0.206	15%	0.151	C	C	.	.			trans	-105	133.8	-175.2	-55.9	-64.7	0	0	0	110.3	D463 T487 H493	D463-F489 HydrophobicContact CB-CB 4.42Å; D463-F489 HydrophobicContact CB-CD2 4.01Å; D463-F489 WeakPolarHBondContact OD2-CD2 3.47Å; T487-F489 VanDerWaalsContact C-N 3.29Å; T487-F489 PolarHBondContact OG1-N 3.45Å; F489-H493 PolarHBondContact O-CE1 3.36Å; F489-H493 PolarHBondContact O-NE2 2.9Å
490	S	90.9	Very high	91.5	Very high	59 Å²	59	29.4 Å²	29.4	41%	0.413	16%	0.158	S	C	.	.			trans	-86.6	159.9	169	57.9	0	0	0	0	110.8	V513	S490-V513 CarbonylContact C-O 3.55Å; S490-V513 WeakPolarHBondContact CA-O 3.46Å
491	G	93.7	Very high	91.5	Very high	19 Å²	19	33.9 Å²	33.9	20%	0.196	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.7	-168.2	176.1	0	0	0	0	0	113.3	H493 V513	G491-H493 PolarHBondContact O-N 3.37Å; G491-H493 PolarHBondContact O-ND1 3.01Å; G491-V513 PolarHBondContact N-O 3.18Å; G491-V513 PolarHBondContact O-N 3.39Å
492	L	95.3	Very high	91.5	Very high	102 Å²	102	39.3 Å²	39.3	53%	0.534	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	106.9	-174.5	-165.7	67.5	0	0	0	111.4	P464 H512	P464-L492 WeakPolarHBondContact CG-O 3.42Å; L492-H512 HydrophobicContact CD1-CB 4.46Å
493	H	95	Very high	91.7	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	159.5	174.7	-67.7	56.2	0	0	0	110.6	F461 T462 P464 T487 F489 G491 V511 V513	F461-H493 HydrophobicContact CD2-CB 4.31Å; F461-H493 AromaticContact CE1-CD2 3.72Å; F461-H493 HydrophobicContact CE2-CB 3.41Å; F461-H493 VanDerWaalsContact CE2-CB 3.41Å; F461-H493 HydrophobicContact CZ-CB 3.52Å; F461-H493 AromaticContact CZ-CD2 3.5Å; F461-H493 AromaticContact CZ-CG 3.68Å; T462-H493 VanDerWaalsContact O-CA 3.29Å; T462-H493 WeakPolarHBondContact O-CA 3.45Å; T462-H493 VanDerWaalsContact O-CB 3.32Å; T462-H493 WeakPolarHBondContact O-CB 3.34Å; P464-H493 VanDerWaalsContact CD-CE1 3.49Å; P464-H493 WeakPolarHBondContact CD-CE1 3.25Å; T487-H493 PolarHBondContact OG1-NE2 3.31Å; F489-H493 PolarHBondContact O-CE1 3.36Å; F489-H493 PolarHBondContact O-NE2 2.9Å; G491-H493 PolarHBondContact O-N 3.37Å; G491-H493 PolarHBondContact O-ND1 3.01Å; H493-V511 PolarHBondContact N-O 2.9Å; H493-V511 PolarHBondContact O-N 3.05Å; H493-V513 HydrophobicContact CB-CG2 4.44Å; H493-V513 WeakPolarHBondContact ND1-CG2 3.3Å
494	K	96.4	Very high	91.8	Very high	110 Å²	110	41.7 Å²	41.7	48%	0.478	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.6	177.1	-176.5	-177.9	-178.7	178.8	0	109.9	F461 T462 P508 F509	F461-K494 WeakPolarHBondContact CA-O 3.4Å; T462-K494 PolarHBondContact N-O 3.48Å; T462-K494 PolarHBondContact O-N 2.81Å; T462-K494 PolarHBondContact OG1-O 3.15Å; K494-P508 HydrophobicContact CD-CB 4.3Å; K494-P508 VanDerWaalsContact CE-CG 3.43Å; K494-P508 HydrophobicContact CG-CB 3.96Å; K494-F509 WeakPolarHBondContact CA-O 3.4Å
495	L	96.2	Very high	92	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.7	174.5	-178.1	69.7	0	0	0	109.5	L425 V459 F461 M485 V497 P508 F509 V511	L425-L495 HydrophobicContact CD2-CD2 3.53Å; V459-L495 HydrophobicContact CG1-CD1 3.57Å; F461-L495 HydrophobicContact CB-CD1 3.94Å; F461-L495 HydrophobicContact CD2-CB 3.97Å; F461-L495 HydrophobicContact CD2-CD1 3.9Å; F461-L495 HydrophobicContact CE2-CB 4.48Å; F461-L495 HydrophobicContact CG-CD1 4.28Å; M485-L495 HydrophobicContact CE-CD1 3.99Å; L495-V497 HydrophobicContact CD1-CG2 4.47Å; L495-V497 HydrophobicContact CD2-CG2 4.17Å; L495-V497 HydrophobicContact CG-CG2 4.01Å; L495-P508 CarbonylContact O-C 3.51Å; L495-P508 WeakPolarHBondContact O-CA 3.38Å; L495-F509 HydrophobicContact CB-CB 4.31Å; L495-F509 HydrophobicContact CD2-CD2 4.31Å; L495-F509 PolarHBondContact N-O 3.43Å; L495-F509 PolarHBondContact O-N 2.74Å; L495-V511 HydrophobicContact CB-CG2 4.17Å
496	S	96.6	Very high	92.3	Very high	29 Å²	29	51.9 Å²	51.9	20%	0.203	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.8	173.8	178.4	0	0	0	0	109.4	V459 A460	V459-S496 WeakPolarHBondContact CA-O 3.44Å; A460-S496 PolarHBondContact N-O 2.94Å; A460-S496 PolarHBondContact O-N 3.18Å
497	V	96.3	Very high	92.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129	173.5	-178.3	0	0	0	0	109.1	I439 V459 L495 I504 S507 F509	I439-V497 HydrophobicContact CD1-CB 4.47Å; I439-V497 HydrophobicContact CD1-CG1 3.48Å; I439-V497 VanDerWaalsContact CD1-CG1 3.48Å; I439-V497 HydrophobicContact CD1-CG2 4.11Å; I439-V497 HydrophobicContact CG1-CG1 4.13Å; I439-V497 HydrophobicContact CG2-CG1 4.45Å; V459-V497 HydrophobicContact CG1-CG2 4.38Å; V459-V497 HydrophobicContact CG2-CG1 4.44Å; V459-V497 HydrophobicContact CG2-CG2 4.39Å; L495-V497 HydrophobicContact CD1-CG2 4.47Å; L495-V497 HydrophobicContact CD2-CG2 4.17Å; L495-V497 HydrophobicContact CG-CG2 4.01Å; V497-I504 HydrophobicContact CB-CD1 3.82Å; V497-I504 HydrophobicContact CB-CG1 3.94Å; V497-I504 HydrophobicContact CG1-CD1 3.61Å; V497-I504 HydrophobicContact CG1-CG1 3.99Å; V497-I504 HydrophobicContact CG1-CG2 4.33Å; V497-I504 PolarHBondContact O-N 3.04Å; V497-S507 PolarHBondContact N-OG 3.44Å; V497-S507 VanDerWaalsContact O-CB 3.32Å; V497-S507 WeakPolarHBondContact O-CB 3.34Å; V497-S507 PolarHBondContact O-OG 3.02Å; V497-F509 HydrophobicContact CG2-CE2 4.42Å
498	K	94.5	Very high	93.2	Very high	67 Å²	67	53.6 Å²	53.6	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.8	173.5	-60.6	178.1	-179.3	179.5	0	110.1	I457 E458 N501 R502	I457-K498 WeakPolarHBondContact CA-O 3.03Å; E458-K498 HydrophobicContact CB-CB 4.36Å; E458-K498 PolarHBondContact N-O 3.41Å; E458-K498 PolarHBondContact O-N 3.46Å; K498-N501 PolarHBondContact NZ-OD1 3.28Å; K498-R502 CarbonylContact C-O 3.56Å; K498-R502 WeakPolarHBondContact CA-O 3.44Å; K498-R502 WeakPolarHBondContact CB-O 3.42Å
499	I	91.8	Very high	93.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.4	168.2	-57.4	179.5	0	0	0	106.1	T416 P418 C421 I439 A441 D455 P456 I457 N501 R502 I504	T416-I499 HydrophobicContact CG2-CD1 4.21Å; T416-I499 HydrophobicContact CG2-CG2 3.79Å; P418-I499 HydrophobicContact CB-CB 4.5Å; P418-I499 HydrophobicContact CG-CB 4.21Å; P418-I499 VanDerWaalsContact CG-O 3.3Å; P418-I499 WeakPolarHBondContact CG-O 3.42Å; C421-I499 HydrophobicContact CB-CD1 4.15Å; I439-I499 HydrophobicContact CG2-CD1 4.23Å; A441-I499 HydrophobicContact CB-CD1 4.28Å; D455-I499 HydrophobicContact CB-CG2 4.11Å; P456-I499 WeakPolarHBondContact O-CA 3.09Å; I457-I499 HydrophobicContact CD1-CD1 4.08Å; I457-I499 HydrophobicContact CD1-CG1 4.21Å; I457-I499 HydrophobicContact CG1-CD1 4.41Å; I457-I499 HydrophobicContact CG1-CG1 4.05Å; I457-I499 HydrophobicContact CG2-CG1 4.49Å; I499-N501 PolarHBondContact O-N 3.44Å; I499-R502 PolarHBondContact N-O 3Å; I499-R502 PolarHBondContact O-N 2.67Å; I499-R502 VanDerWaalsContact O-O 3.08Å; I499-I504 HydrophobicContact CB-CG2 4.3Å; I499-I504 HydrophobicContact CD1-CG2 3.74Å; I499-I504 HydrophobicContact CG1-CG2 3.71Å
500	L	89	Confident	94.1	Very high	33 Å²	33	55.7 Å²	55.7	17%	0.173	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	37.3	-177.8	-58.8	160.4	0	0	0	112.7	N313 F315 T416 P418 P456 R502	N313-L500 HydrophobicContact CB-CD1 4.14Å; F315-L500 HydrophobicContact CB-CD2 3.24Å; F315-L500 HydrophobicContact CD1-CD2 4.06Å; F315-L500 HydrophobicContact CD2-CD2 3.76Å; F315-L500 HydrophobicContact CG-CD2 3.42Å; F315-L500 VanDerWaalsContact CG-CD2 3.42Å; T416-L500 WeakPolarHBondContact O-CD1 3.34Å; P418-L500 HydrophobicContact CG-CD1 4.36Å; P456-L500 HydrophobicContact CG-CD2 3.45Å; P456-L500 VanDerWaalsContact CG-CD2 3.45Å; P456-L500 HydrophobicContact CG-CG 3.95Å; P456-L500 PolarHBondContact O-N 3.17Å; P456-L500 VanDerWaalsContact O-N 3.13Å; L500-R502 PolarHBondContact O-N 3.33Å; L500-R502 VanDerWaalsContact O-N 3.09Å
501	N	89.4	Confident	94.3	Very high	109 Å²	109	53.6 Å²	53.6	58%	0.583	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	21.2	-173.1	-165.1	23.4	0	0	0	114.5	K498 I499	K498-N501 PolarHBondContact NZ-OD1 3.28Å; I499-N501 PolarHBondContact O-N 3.44Å
502	R	91.3	Very high	94.3	Very high	122 Å²	122	58 Å²	58	46%	0.46	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136	172.7	-63.5	-178.5	-177.2	178.6	1.5	109.8	P418 K498 I499 L500	P418-R502 HydrophobicContact CB-CB 3.98Å; P418-R502 HydrophobicContact CG-CB 3.98Å; K498-R502 CarbonylContact C-O 3.56Å; K498-R502 WeakPolarHBondContact CA-O 3.44Å; K498-R502 WeakPolarHBondContact CB-O 3.42Å; I499-R502 PolarHBondContact N-O 3Å; I499-R502 PolarHBondContact O-N 2.67Å; I499-R502 VanDerWaalsContact O-O 3.08Å; L500-R502 PolarHBondContact O-N 3.33Å; L500-R502 VanDerWaalsContact O-N 3.09Å
503	P	94.4	Very high	94.3	Very high	74 Å²	74	53.2 Å²	53.2	48%	0.481	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	139	175.8	27.9	-33.4	0	0	0	110.3
504	I	95	Very high	94.1	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-75.6	171.7	171.4	66.4	167.9	0	0	0	111.2	P418 C421 A423 I439 V497 I499 G506 S507 F509	P418-I504 HydrophobicContact CB-CG2 4.46Å; P418-I504 VanDerWaalsContact O-CA 3.29Å; P418-I504 WeakPolarHBondContact O-CA 3.38Å; C421-I504 HydrophobicContact CB-CB 4.04Å; C421-I504 HydrophobicContact CB-CG2 3.75Å; A423-I504 HydrophobicContact CB-CD1 3.9Å; I439-I504 HydrophobicContact CG2-CD1 4.26Å; V497-I504 HydrophobicContact CB-CD1 3.82Å; V497-I504 HydrophobicContact CB-CG1 3.94Å; V497-I504 HydrophobicContact CG1-CD1 3.61Å; V497-I504 HydrophobicContact CG1-CG1 3.99Å; V497-I504 HydrophobicContact CG1-CG2 4.33Å; V497-I504 PolarHBondContact O-N 3.04Å; I499-I504 HydrophobicContact CB-CG2 4.3Å; I499-I504 HydrophobicContact CD1-CG2 3.74Å; I499-I504 HydrophobicContact CG1-CG2 3.71Å; I504-G506 PolarHBondContact O-N 3.28Å; I504-S507 VanDerWaalsContact O-CB 3.3Å; I504-S507 WeakPolarHBondContact O-CB 3.37Å; I504-S507 PolarHBondContact O-N 2.87Å; I504-F509 HydrophobicContact CD1-CE2 4.25Å; I504-F509 HydrophobicContact CD1-CZ 4.35Å; I504-F509 HydrophobicContact CG1-CE2 4.4Å
505	R	93.4	Very high	93.7	Very high	174 Å²	174	53.9 Å²	53.9	66%	0.657	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	123	177.1	-167.6	177	178	-175.8	0.7	111.9	C421 S507 F509	C421-R505 VanDerWaalsContact O-CB 3.29Å; C421-R505 WeakPolarHBondContact O-CB 3.19Å; C421-R505 PolarHBondContact O-N 3.15Å; R505-S507 VanDerWaalsContact C-N 3.31Å; R505-F509 VanDerWaalsContact O-CZ 3.31Å; R505-F509 WeakPolarHBondContact O-CZ 3.47Å
506	G	94.3	Very high	93.3	Very high	52 Å²	52	55.7 Å²	55.7	54%	0.536	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-5.9	179.1	0	0	0	0	0	115.1	I504 P508 F509	I504-G506 PolarHBondContact O-N 3.28Å; G506-P508 CarbonylContact O-C 3.49Å; G506-F509 VanDerWaalsContact C-CE1 3.43Å; G506-F509 VanDerWaalsContact O-CD1 3.28Å; G506-F509 WeakPolarHBondContact O-CD1 3.11Å; G506-F509 WeakPolarHBondContact O-CE1 3.16Å
507	S	96.1	Very high	92.8	Very high	18 Å²	18	54.8 Å²	54.8	13%	0.126	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-78.1	136.4	175	-176.1	0	0	0	0	110.9	V497 I504 R505	V497-S507 PolarHBondContact N-OG 3.44Å; V497-S507 VanDerWaalsContact O-CB 3.32Å; V497-S507 WeakPolarHBondContact O-CB 3.34Å; V497-S507 PolarHBondContact O-OG 3.02Å; I504-S507 VanDerWaalsContact O-CB 3.3Å; I504-S507 WeakPolarHBondContact O-CB 3.37Å; I504-S507 PolarHBondContact O-N 2.87Å; R505-S507 VanDerWaalsContact C-N 3.31Å
508	P	95.4	Very high	92.2	Very high	67 Å²	67	60.5 Å²	60.5	44%	0.435	32%	0.317	S	S	.	.	S	Bend	cis	-80.7	141.3	-0.2	32.7	-34.3	0	0	0	113	K494 L495 G506	K494-P508 HydrophobicContact CD-CB 4.3Å; K494-P508 VanDerWaalsContact CE-CG 3.43Å; K494-P508 HydrophobicContact CG-CB 3.96Å; L495-P508 CarbonylContact O-C 3.51Å; L495-P508 WeakPolarHBondContact O-CA 3.38Å; G506-P508 CarbonylContact O-C 3.49Å
509	F	96.4	Very high	91.9	Very high	31 Å²	31	61.4 Å²	61.4	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	145.5	177.7	-52.7	-87	0	0	0	111.7	A423 L425 K494 L495 V497 I504 R505 G506 V511	A423-F509 HydrophobicContact CB-CE2 3.84Å; A423-F509 HydrophobicContact CB-CZ 3.76Å; L425-F509 HydrophobicContact CD1-CB 3.87Å; L425-F509 HydrophobicContact CD1-CD1 3.85Å; L425-F509 HydrophobicContact CD1-CG 3.96Å; L425-F509 HydrophobicContact CD2-CB 4.49Å; L425-F509 HydrophobicContact CD2-CG 4.46Å; K494-F509 WeakPolarHBondContact CA-O 3.4Å; L495-F509 HydrophobicContact CB-CB 4.31Å; L495-F509 HydrophobicContact CD2-CD2 4.31Å; L495-F509 PolarHBondContact N-O 3.43Å; L495-F509 PolarHBondContact O-N 2.74Å; V497-F509 HydrophobicContact CG2-CE2 4.42Å; I504-F509 HydrophobicContact CD1-CE2 4.25Å; I504-F509 HydrophobicContact CD1-CZ 4.35Å; I504-F509 HydrophobicContact CG1-CE2 4.4Å; R505-F509 VanDerWaalsContact O-CZ 3.31Å; R505-F509 WeakPolarHBondContact O-CZ 3.47Å; G506-F509 VanDerWaalsContact C-CE1 3.43Å; G506-F509 VanDerWaalsContact O-CD1 3.28Å; G506-F509 WeakPolarHBondContact O-CD1 3.11Å; G506-F509 WeakPolarHBondContact O-CE1 3.16Å; F509-V511 HydrophobicContact CB-CG2 4.46Å
510	S	95	Very high	91.7	Very high	93 Å²	93	64.6 Å²	64.6	65%	0.65	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.1	170.9	-63.4	0	0	0	0	109.6
511	V	94.3	Very high	91.9	Very high	14 Å²	14	64.3 Å²	64.3	9%	0.085	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.3	-174.6	-177.7	0	0	0	0	108.9	L425 M429 F461 H493 L495 F509	L425-V511 HydrophobicContact CD1-CG2 4.36Å; L425-V511 HydrophobicContact CD2-CG2 4.11Å; M429-V511 HydrophobicContact CE-CG1 4.43Å; M429-V511 HydrophobicContact SD-CG1 3.98Å; F461-V511 HydrophobicContact CE2-CB 4.29Å; H493-V511 PolarHBondContact N-O 2.9Å; H493-V511 PolarHBondContact O-N 3.05Å; L495-V511 HydrophobicContact CB-CG2 4.17Å; F509-V511 HydrophobicContact CB-CG2 4.46Å
512	H	94.8	Very high	92	Very high	113 Å²	113	61.3 Å²	61.3	52%	0.523	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.2	179.8	-169	75.5	0	0	0	111.2	L492	L492-H512 HydrophobicContact CD1-CB 4.46Å
513	V	93.9	Very high	92.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.1	179.2	-174.7	0	0	0	0	109.9	M429 T431 T487 S490 G491 H493	M429-V513 HydrophobicContact CB-CG2 4.27Å; M429-V513 HydrophobicContact CG-CG1 4.25Å; M429-V513 HydrophobicContact CG-CG2 3.96Å; M429-V513 WeakPolarHBondContact O-CA 3.26Å; M429-V513 HydrophobicContact SD-CG2 3.43Å; M429-V513 WeakPolarHBondContact SD-CG2 3.49Å; T431-V513 HydrophobicContact CG2-CG1 4.17Å; T487-V513 HydrophobicContact CG2-CB 4.4Å; T487-V513 HydrophobicContact CG2-CG1 3.82Å; T487-V513 HydrophobicContact CG2-CG2 4.02Å; S490-V513 CarbonylContact C-O 3.55Å; S490-V513 WeakPolarHBondContact CA-O 3.46Å; G491-V513 PolarHBondContact N-O 3.18Å; G491-V513 PolarHBondContact O-N 3.39Å; H493-V513 HydrophobicContact CB-CG2 4.44Å; H493-V513 WeakPolarHBondContact ND1-CG2 3.3Å
514	K	92	Very high	92	Very high	71 Å²	71	59.2 Å²	59.2	31%	0.309	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	144.2	-178.2	-64.4	178.4	-176.9	-178.9	0	110.7	E428 M429 F430 T431	E428-K514 IonicContact OE1-NZ 3.55Å; E428-K514 PolarHBondContact OE1-NZ 2.79Å; M429-K514 PolarHBondContact O-N 3.1Å; F430-K514 VanDerWaalsContact CA-O 3.28Å; F430-K514 WeakPolarHBondContact CA-O 3.26Å; F430-K514 HydrophobicContact CD1-CB 3.68Å; F430-K514 HydrophobicContact CE1-CB 3.88Å; F430-K514 HydrophobicContact CE1-CD 3.94Å; F430-K514 HydrophobicContact CE1-CG 4.47Å; T431-K514 PolarHBondContact N-O 2.7Å
515	P	87.9	Confident	91.8	Very high	57 Å²	57	64.5 Å²	64.5	37%	0.37	33%	0.334	S	S	.	.	S	Bend	trans	-74.8	-29.5	179.6	29	-34.1	0	0	0	113.3	T431	T431-P515 PolarHBondContact OG1-O 2.87Å
516	T	86.4	Confident	91.5	Very high	40 Å²	40	56.7 Å²	56.7	25%	0.245	31%	0.308	C	S	.	.	S	Bend	trans	-119.5	130.2	-175.4	57.6	0	0	0	0	110.4	F430 E952 V953	F430-T516 VanDerWaalsContact CD1-O 3.26Å; F430-T516 WeakPolarHBondContact CD1-O 3.38Å; F430-T516 VanDerWaalsContact CE1-O 3.29Å; F430-T516 WeakPolarHBondContact CE1-O 3.45Å; T516-E952 WeakPolarHBondContact CA-O 3.46Å; T516-E952 HydrophobicContact CG2-CB 4.11Å; T516-V953 WeakPolarHBondContact CG2-O 3.39Å
517	Q	87.8	Confident	91	Very high	9 Å²	9	58.5 Å²	58.5	4%	0.042	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-76.2	165.5	175.4	75.8	177	-61.2	0	0	112.8	F430 L433 E952 H986	F430-Q517 VanDerWaalsContact CD1-CA 3.47Å; F430-Q517 HydrophobicContact CD1-CB 4.06Å; F430-Q517 HydrophobicContact CD2-CB 4.37Å; F430-Q517 HydrophobicContact CE1-CB 4.39Å; F430-Q517 HydrophobicContact CG-CB 4.05Å; L433-Q517 HydrophobicContact CD1-CB 4.13Å; Q517-E952 PolarHBondContact N-O 3.46Å; Q517-H986 PolarHBondContact NE2-O 3.49Å; Q517-H986 PolarHBondContact OE1-O 2.65Å
518	K	83.7	Confident	90.5	Very high	122 Å²	122	61.1 Å²	61.1	53%	0.53	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-90.8	151.6	169	-67.3	177.3	-174.7	157.1	0	110.6	E428	E428-K518 IonicContact OE1-NZ 3.15Å; E428-K518 PolarHBondContact OE1-NZ 2.92Å; E428-K518 WeakPolarHBondContact OE2-CE 3.37Å; E428-K518 IonicContact OE2-NZ 3.46Å; E428-K518 PolarHBondContact OE2-NZ 2.83Å
519	R	86.7	Confident	90	Very high	85 Å²	85	60.3 Å²	60.3	32%	0.321	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-67.5	137.2	169	-61.5	170.4	-77	-101.9	-11.8	109.8	D954 S956 F957 S983	R519-D954 IonicContact CZ-OD1 2.91Å; R519-D954 IonicContact CZ-OD2 3.97Å; R519-D954 IonicContact NE-OD2 2.7Å; R519-D954 IonicContact NH1-OD1 3.74Å; R519-D954 PolarHBondContact NH1-OD1 2.81Å; R519-D954 IonicContact NH1-OD2 3.7Å; R519-D954 PolarHBondContact NH1-OD2 3.47Å; R519-D954 IonicContact NH2-OD1 3.88Å; R519-D954 PolarHBondContact NH2-OD1 2.88Å; R519-D954 IonicContact NH2-OD2 3.94Å; R519-S956 PolarHBondContact NH1-OG 2.85Å; R519-F957 HydrophobicContact CG-CE2 3.78Å; R519-F957 HydrophobicContact CG-CZ 3.87Å; R519-S983 WeakPolarHBondContact CD-OG 3.36Å
520	V	89.1	Confident	89.7	Confident	68 Å²	68	64.9 Å²	64.9	41%	0.412	35%	0.345	S	S	.	.	S	Bend	trans	-66.1	-49.6	171.1	179.1	0	0	0	0	109.3	R984 H986	V520-R984 HydrophobicContact CB-CB 4.09Å; V520-R984 HydrophobicContact CB-CG 4.03Å; V520-R984 HydrophobicContact CG1-CG 4.47Å; V520-R984 HydrophobicContact CG2-CG 4.18Å; V520-R984 PolarHBondContact N-O 3.41Å; V520-H986 VanDerWaalsContact CG2-NE2 3.34Å; V520-H986 WeakPolarHBondContact CG2-NE2 3.46Å
521	W	93	Very high	89.6	Confident	27 Å²	27	61.9 Å²	61.9	10%	0.102	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	166.2	169.5	55.5	-109.3	0	0	0	109.6	I566 L579 P581 G584 I973 I982 S983 R984	W521-I566 HydrophobicContact CH2-CD1 3.88Å; W521-I566 HydrophobicContact CZ2-CD1 3.65Å; W521-L579 HydrophobicContact CH2-CD1 4.28Å; W521-L579 HydrophobicContact CZ3-CD1 4.44Å; W521-P581 PolarHBondContact NE1-O 2.83Å; W521-P581 VanDerWaalsContact NE1-O 3.16Å; W521-G584 VanDerWaalsContact CD2-CA 3.49Å; W521-G584 VanDerWaalsContact CE2-CA 3.47Å; W521-I973 HydrophobicContact CH2-CD1 4.01Å; W521-I973 HydrophobicContact CZ2-CD1 3.69Å; W521-I982 HydrophobicContact CH2-CG2 4.45Å; W521-I982 HydrophobicContact CZ3-CG2 4.34Å; W521-S983 WeakPolarHBondContact O-CA 3.06Å; W521-R984 HydrophobicContact CD2-CB 3.94Å; W521-R984 VanDerWaalsContact CE2-CB 3.49Å; W521-R984 HydrophobicContact CG-CB 4.25Å; W521-R984 HydrophobicContact CZ2-CB 3.83Å; W521-R984 PolarHBondContact O-N 3.36Å
522	S	92	Very high	89.6	Confident	45 Å²	45	61.2 Å²	61.2	32%	0.315	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	142.8	174.2	-173.7	0	0	0	0	111.9	I982 S983	S522-I982 CarbonylContact C-O 3.5Å; S522-I982 WeakPolarHBondContact CA-O 3.46Å; S522-I982 PolarHBondContact OG-O 2.62Å; S522-S983 PolarHBondContact OG-OG 3.33Å
523	L	93	Very high	89.5	Confident	26 Å²	26	59.5 Å²	59.5	14%	0.136	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.6	173.4	-173	79.1	0	0	0	109.9	E525 L577 L579 N981 I982	L523-E525 WeakPolarHBondContact CD1-O 3.21Å; L523-L577 HydrophobicContact CD2-CD1 4.19Å; L523-L579 HydrophobicContact CD2-CD1 3.75Å; L523-L579 HydrophobicContact CD2-CD2 3.53Å; L523-L579 HydrophobicContact CD2-CG 4.3Å; L523-N981 VanDerWaalsContact O-CA 3.3Å; L523-N981 WeakPolarHBondContact O-CA 3.45Å; L523-N981 WeakPolarHBondContact O-CB 3.27Å; L523-I982 HydrophobicContact CB-CD1 4.41Å; L523-I982 HydrophobicContact CD2-CD1 4.07Å; L523-I982 PolarHBondContact N-O 2.95Å; L523-I982 PolarHBondContact O-N 2.97Å
524	K	91.6	Very high	89.4	Confident	126 Å²	126	64 Å²	64	55%	0.548	34%	0.34	S	S	.	.			trans	-121.6	-15.9	179.7	-64.3	-173.1	176.9	-179.1	0	114.2	G531 L532 N981	K524-G531 WeakPolarHBondContact O-CA 3.28Å; K524-L532 PolarHBondContact O-N 3.01Å; K524-L532 VanDerWaalsContact O-N 3.08Å; K524-N981 HydrophobicContact CG-CB 3.83Å
525	E	90.1	Very high	89.5	Confident	116 Å²	116	60.6 Å²	60.6	54%	0.542	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-139.4	149.9	-171	-68	171.7	-165.3	0	0	109.9	L523 R530	L523-E525 WeakPolarHBondContact CD1-O 3.21Å; E525-R530 WeakPolarHBondContact CA-O 3.26Å
526	G	87.1	Confident	89.7	Confident	10 Å²	10	60.2 Å²	60.2	10%	0.103	32%	0.318	C	S	.	.			trans	-87.8	-177.7	172.6	0	0	0	0	0	112.8	D528 G529 R530	G526-D528 PolarHBondContact O-N 3.23Å; G526-G529 PolarHBondContact O-N 3.31Å; G526-G529 VanDerWaalsContact O-N 3.08Å; G526-R530 PolarHBondContact N-O 3.48Å
527	S	83.7	Confident	90	Very high	91 Å²	91	58.9 Å²	58.9	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.4	180	46.8	0	0	0	0	113.7	G529 L586 T589	S527-G529 PolarHBondContact O-N 3.48Å; S527-L586 VanDerWaalsContact CB-CD2 3.48Å; S527-T589 PolarHBondContact OG-OG1 2.86Å
528	D	85.9	Confident	90.5	Very high	73 Å²	73	59.1 Å²	59.1	39%	0.39	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4.7	177.2	61.3	1.9	0	0	0	113.5	G526 R530 R575	G526-D528 PolarHBondContact O-N 3.23Å; D528-R530 PolarHBondContact O-N 3.45Å; D528-R530 WeakPolarHBondContact OD1-CB 3.29Å; D528-R530 PolarHBondContact OD1-N 3.11Å; D528-R530 IonicContact OD1-NE 2.72Å; D528-R530 IonicContact OD2-CZ 3.74Å; D528-R530 IonicContact OD2-NE 3.27Å; D528-R530 PolarHBondContact OD2-NE 2.94Å; D528-R530 IonicContact OD2-NH2 2.97Å; D528-R530 PolarHBondContact OD2-NH2 3.14Å; D528-R575 IonicContact OD1-CZ 3.51Å; D528-R575 IonicContact OD1-NH1 2.81Å; D528-R575 PolarHBondContact OD1-NH1 3.08Å; D528-R575 IonicContact OD1-NH2 3.99Å; D528-R575 IonicContact OD2-CZ 3.53Å; D528-R575 IonicContact OD2-NH1 2.68Å; D528-R575 PolarHBondContact OD2-NH1 2.97Å
529	G	86.4	Confident	91	Very high	50 Å²	50	53.6 Å²	53.6	52%	0.515	29%	0.29	S	S	.	.	S	Bend	trans	71.7	2.6	-176.3	0	0	0	0	0	114	G526 S527	G526-G529 PolarHBondContact O-N 3.31Å; G526-G529 VanDerWaalsContact O-N 3.08Å; S527-G529 PolarHBondContact O-N 3.48Å
530	R	89.2	Confident	91.4	Very high	126 Å²	126	51.5 Å²	51.5	48%	0.475	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-80.2	131	173.7	-65.1	-170.7	-67.1	171.1	-2.7	109.8	E525 G526 D528 R575	E525-R530 WeakPolarHBondContact CA-O 3.26Å; G526-R530 PolarHBondContact N-O 3.48Å; D528-R530 PolarHBondContact O-N 3.45Å; D528-R530 WeakPolarHBondContact OD1-CB 3.29Å; D528-R530 PolarHBondContact OD1-N 3.11Å; D528-R530 IonicContact OD1-NE 2.72Å; D528-R530 IonicContact OD2-CZ 3.74Å; D528-R530 IonicContact OD2-NE 3.27Å; D528-R530 PolarHBondContact OD2-NE 2.94Å; D528-R530 IonicContact OD2-NH2 2.97Å; D528-R530 PolarHBondContact OD2-NH2 3.14Å; R530-R575 PolarHBondContact O-NH2 3.42Å; R530-R575 VanDerWaalsContact O-NH2 3.11Å
531	G	92.7	Very high	91.5	Very high	30 Å²	30	48.4 Å²	48.4	31%	0.309	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-55.5	155.1	167.2	0	0	0	0	0	112.1	K524 N573	K524-G531 WeakPolarHBondContact O-CA 3.28Å; G531-N573 PolarHBondContact O-ND2 2.87Å
532	L	93.9	Very high	91.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-65.6	142.5	174.3	-53	179.7	0	0	0	110.3	K524 P535 D570 L577 Q980 I982	K524-L532 PolarHBondContact O-N 3.01Å; K524-L532 VanDerWaalsContact O-N 3.08Å; L532-P535 HydrophobicContact CB-CB 4.32Å; L532-P535 HydrophobicContact CB-CG 4Å; L532-P535 HydrophobicContact CD1-CB 4.2Å; L532-P535 HydrophobicContact CD1-CG 4.15Å; L532-D570 HydrophobicContact CD2-CB 4.46Å; L532-L577 HydrophobicContact CD2-CD1 3.4Å; L532-Q980 HydrophobicContact CB-CB 4.43Å; L532-Q980 WeakPolarHBondContact O-CB 3.37Å; L532-Q980 VanDerWaalsContact O-CD 3.24Å; L532-Q980 WeakPolarHBondContact O-CG 3.4Å; L532-Q980 PolarHBondContact O-OE1 3.25Å; L532-I982 HydrophobicContact CD1-CD1 3.41Å; L532-I982 VanDerWaalsContact CD1-CD1 3.41Å; L532-I982 HydrophobicContact CD1-CG1 3.98Å
533	I	93.6	Very high	91.3	Very high	78 Å²	78	50.1 Å²	50.1	40%	0.4	27%	0.273	S	S	.	.	S	Bend	trans	-126.3	111.8	176.6	-57.7	-178.9	0	0	0	107.8	D570 G572 N573	I533-D570 PolarHBondContact N-OD1 3Å; I533-G572 WeakPolarHBondContact O-CA 2.91Å; I533-G572 PolarHBondContact O-N 3.03Å; I533-N573 WeakPolarHBondContact CD1-OD1 3.32Å
534	Q	92	Very high	90.9	Very high	93 Å²	93	50.6 Å²	50.6	44%	0.435	28%	0.278	S	S	.	.	S	Bend	trans	53.4	51.4	-178.2	-160.1	-178.4	-36.3	0	0	112.8	F536 T571 Q977	Q534-F536 PolarHBondContact O-N 3.1Å; Q534-T571 WeakPolarHBondContact O-CB 3.28Å; Q534-T571 PolarHBondContact O-OG1 2.91Å; Q534-Q977 HydrophobicContact CG-CG 4.13Å
535	P	93.5	Very high	89.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	134.2	170.7	31.6	-36.1	0	0	0	108	L532 V568 L569 V975	L532-P535 HydrophobicContact CB-CB 4.32Å; L532-P535 HydrophobicContact CB-CG 4Å; L532-P535 HydrophobicContact CD1-CB 4.2Å; L532-P535 HydrophobicContact CD1-CG 4.15Å; P535-V568 HydrophobicContact CB-CG1 4.47Å; P535-L569 WeakPolarHBondContact CA-O 3.34Å; P535-V975 VanDerWaalsContact C-CG1 3.44Å; P535-V975 HydrophobicContact CB-CG1 3.65Å; P535-V975 HydrophobicContact CG-CG1 3.96Å; P535-V975 WeakPolarHBondContact O-CG1 3.34Å
536	F	91.9	Very high	88.4	Confident	49 Å²	49	50.4 Å²	50.4	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	-68.5	-167.6	-169.9	-93.8	0	0	0	113.1	Q534 L569 T601 A961	Q534-F536 PolarHBondContact O-N 3.1Å; F536-L569 PolarHBondContact N-O 3.31Å; F536-L569 VanDerWaalsContact N-O 3.08Å; F536-T601 WeakPolarHBondContact CD1-O 3.22Å; F536-T601 VanDerWaalsContact CE1-O 3.25Å; F536-T601 WeakPolarHBondContact CE1-O 3.44Å; F536-A961 HydrophobicContact CD2-CB 4.14Å; F536-A961 HydrophobicContact CE2-CB 4.45Å
537	A	94.1	Very high	86.8	Confident	13 Å²	13	55.8 Å²	55.8	11%	0.107	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	151.2	-178.6	0	0	0	0	0	111.9	L569 M603	A537-L569 HydrophobicContact CB-CB 4.29Å; A537-L569 HydrophobicContact CB-CD1 3.94Å; A537-L569 HydrophobicContact CB-CG 4.3Å; A537-L569 PolarHBondContact O-N 2.84Å; A537-M603 HydrophobicContact CB-CB 4.25Å
538	V	96.3	Very high	85.2	Confident	14 Å²	14	55.9 Å²	55.9	9%	0.085	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.8	172.6	60	0	0	0	0	109.2	I566 Y567 V568 L963 V964 I973 V975	V538-I566 HydrophobicContact CG2-CG2 3.57Å; V538-Y567 CarbonylContact C-O 3.59Å; V538-Y567 VanDerWaalsContact CA-O 3.22Å; V538-Y567 WeakPolarHBondContact CA-O 3.5Å; V538-Y567 WeakPolarHBondContact CG2-O 3.44Å; V538-V568 HydrophobicContact CG2-CG2 4.14Å; V538-L963 VanDerWaalsContact CG1-C 3.42Å; V538-V964 HydrophobicContact CB-CG1 4.32Å; V538-V964 HydrophobicContact CG1-CB 4.03Å; V538-V964 HydrophobicContact CG1-CG1 3.89Å; V538-V964 HydrophobicContact CG2-CB 4.5Å; V538-V964 HydrophobicContact CG2-CG1 3.59Å; V538-I973 HydrophobicContact CG2-CB 4.46Å; V538-I973 HydrophobicContact CG2-CG2 4.01Å; V538-V975 HydrophobicContact CB-CG2 3.71Å; V538-V975 HydrophobicContact CG1-CG2 3.82Å
539	A	95.9	Very high	83.4	Confident	6 Å²	6	59.1 Å²	59.1	5%	0.05	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	161.3	172.8	0	0	0	0	0	110.2	Y567 M603 L610	A539-Y567 PolarHBondContact N-O 2.82Å; A539-Y567 PolarHBondContact O-N 2.89Å; A539-M603 HydrophobicContact CB-CE 3.84Å; A539-M603 HydrophobicContact CB-CG 4.21Å; A539-L610 HydrophobicContact CB-CD1 4.26Å
540	F	94.2	Very high	81.5	Confident	40 Å²	40	61.2 Å²	61.2	18%	0.175	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.6	179.6	-176.2	-113.8	0	0	0	109.3	D564 F565 I566 P581 V964 L966 S967	F540-D564 HydrophobicContact CD1-CB 4.45Å; F540-D564 HydrophobicContact CD2-CB 4.26Å; F540-D564 HydrophobicContact CE1-CB 3.7Å; F540-D564 HydrophobicContact CE2-CB 3.48Å; F540-D564 VanDerWaalsContact CE2-CB 3.48Å; F540-D564 HydrophobicContact CZ-CB 3.18Å; F540-F565 WeakPolarHBondContact CA-O 3.35Å; F540-F565 VanDerWaalsContact CD2-O 3.28Å; F540-F565 WeakPolarHBondContact CD2-O 3.3Å; F540-I566 HydrophobicContact CD2-CG1 4.01Å; F540-I566 HydrophobicContact CE2-CG1 4.43Å; F540-P581 HydrophobicContact CE2-CB 4.17Å; F540-P581 HydrophobicContact CE2-CG 4.42Å; F540-V964 HydrophobicContact CB-CG1 4.05Å; F540-V964 HydrophobicContact CB-CG2 3.63Å; F540-L966 HydrophobicContact CD1-CD2 4.33Å; F540-L966 HydrophobicContact CD2-CD2 3.59Å; F540-L966 HydrophobicContact CE1-CD2 4.32Å; F540-L966 HydrophobicContact CE2-CD2 3.58Å; F540-L966 HydrophobicContact CG-CD2 3.97Å; F540-L966 HydrophobicContact CZ-CD2 3.94Å; F540-S967 WeakPolarHBondContact CE1-OG 3.48Å
541	G	92.4	Very high	79.2	Confident	4 Å²	4	60 Å²	60	4%	0.041	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	172.6	-179.5	0	0	0	0	0	112.7	D564 F565 Y567	G541-D564 CarbonylContact O-C 3.53Å; G541-D564 WeakPolarHBondContact O-CA 3.48Å; G541-F565 PolarHBondContact N-O 2.88Å; G541-F565 VanDerWaalsContact N-O 3.13Å; G541-F565 PolarHBondContact O-N 3.04Å; G541-Y567 WeakPolarHBondContact O-CE2 3.26Å
542	P	91.2	Very high	76.7	Confident	58 Å²	58	62.8 Å²	62.8	38%	0.377	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	153.1	-176.9	23.2	-35.6	0	0	0	112.9	D564 Y567 W605	P542-D564 WeakPolarHBondContact CD-OD1 3.4Å; P542-Y567 PolarHBondContact O-OH 3.17Å; P542-W605 VanDerWaalsContact CD-NE1 3.34Å; P542-W605 HydrophobicContact CG-CZ2 3.91Å; P542-W605 WeakPolarHBondContact O-CH2 3.47Å; P542-W605 WeakPolarHBondContact O-CZ2 3.29Å
543	Y	89.6	Confident	74	Confident	49 Å²	49	71.2 Å²	71.2	19%	0.192	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-91.1	128	165	-168	-101.5	0	0	0	110.3	V545 G563 F565 Y567 V578 H587 T588 P625 A626	Y543-V545 PolarHBondContact O-N 3.32Å; Y543-G563 PolarHBondContact N-O 2.93Å; Y543-F565 VanDerWaalsContact CB-CE2 3.44Å; Y543-F565 HydrophobicContact CG-CD2 4.33Å; Y543-F565 HydrophobicContact CG-CE2 4.34Å; Y543-Y567 WeakPolarHBondContact CA-OH 3.37Å; Y543-Y567 HydrophobicContact CD2-CE1 4.46Å; Y543-V578 HydrophobicContact CD2-CG1 3.9Å; Y543-V578 HydrophobicContact CE2-CG1 4.09Å; Y543-V578 HydrophobicContact CE2-CG2 4.46Å; Y543-H587 AromaticContact CD1-NE2 3.92Å; Y543-H587 AromaticContact CE1-NE2 3.52Å; Y543-H587 AromaticContact CE2-CD2 3.95Å; Y543-H587 AromaticContact CZ-CD2 3.89Å; Y543-H587 AromaticContact CZ-NE2 3.62Å; Y543-T588 HydrophobicContact CE2-CG2 4.03Å; Y543-P625 HydrophobicContact CE2-CB 4.41Å; Y543-A626 HydrophobicContact CE1-CB 4.16Å
544	P	83.9	Confident	71.1	Confident	37 Å²	37	72.4 Å²	72.4	24%	0.24	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-62.2	128.4	-177.3	-22.4	34.2	0	0	0	112.1	W605 D624 P625 A626	P544-W605 HydrophobicContact CG-CH2 3.93Å; P544-D624 WeakPolarHBondContact CG-OD1 3.46Å; P544-P625 HydrophobicContact CG-CG 3.98Å; P544-A626 HydrophobicContact CB-CB 3.96Å; P544-A626 HydrophobicContact CG-CB 4.36Å
545	V	69.7	Low	68.5	Low	102 Å²	102	74.4 Å²	74.4	62%	0.618	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-88.7	136	-180	-174.2	0	0	0	0	110.1	Y543 T562	Y543-V545 PolarHBondContact O-N 3.32Å; V545-T562 HydrophobicContact CG2-CG2 4.1Å
546	R	59.1	Low	65.4	Low	135 Å²	135	82.7 Å²	82.7	51%	0.509	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-71.1	130.2	176	-70.7	179.5	178.3	177.1	-0.8	111	S548 E549	R546-S548 PolarHBondContact O-N 3.11Å; R546-S548 VanDerWaalsContact O-N 3.17Å; R546-E549 PolarHBondContact O-N 2.78Å
547	P	54.5	Low	62.5	Low	124 Å²	124	87.5 Å²	87.5	81%	0.805	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-59.7	-25	175.5	-24.1	32.7	0	0	0	114.6	E549	P547-E549 PolarHBondContact O-N 3.32Å
548	S	50	Low	59.6	Low	93 Å²	93	94.3 Å²	94.3	65%	0.65	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-78.8	-14	-173.3	55.7	0	0	0	0	115.4	R546	R546-S548 PolarHBondContact O-N 3.11Å; R546-S548 VanDerWaalsContact O-N 3.17Å
549	E	47.1	Very low	56.6	Low	140 Å²	140	98.7 Å²	98.7	65%	0.654	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-94.2	-1.5	-179.6	-70.8	176.6	-169.4	0	0	112.9	R546 P547 S551	R546-E549 PolarHBondContact O-N 2.78Å; P547-E549 PolarHBondContact O-N 3.32Å; E549-S551 VanDerWaalsContact C-N 3.31Å; E549-S551 PolarHBondContact O-N 3.03Å
550	A	47.5	Very low	53.8	Low	94 Å²	94	103.5 Å²	103.5	78%	0.777	61%	0.607	S	S	*	*	S	Bend	trans	-81.8	-1.8	178.4	0	0	0	0	0	114.3
551	S	39.3	Very low	51.4	Low	102 Å²	102	106.2 Å²	106.2	71%	0.713	62%	0.622	S	S	*	*			trans	-128.7	69.4	-176	69	0	0	0	0	113.2	E549	E549-S551 VanDerWaalsContact C-N 3.31Å; E549-S551 PolarHBondContact O-N 3.03Å
552	S	41.9	Very low	49.5	Very low	87 Å²	87	111.5 Å²	111.5	61%	0.608	65%	0.653	S	S	*	*			trans	-145.7	106.2	156.2	59.3	0	0	0	0	110.1	T554	S552-T554 VanDerWaalsContact C-N 3.31Å; S552-T554 PolarHBondContact O-N 3.12Å
553	N	36	Very low	48.7	Very low	177 Å²	177	110 Å²	110	95%	0.947	65%	0.649	S	S	*	*			trans	-66.3	85.1	173	-76	-24.2	0	0	0	110.1
554	T	32.7	Very low	48.7	Very low	104 Å²	104	110.6 Å²	110.6	64%	0.638	66%	0.655	S	S	*	*			trans	-134	118.8	163.4	33.6	0	0	0	0	109	S552 Q556	S552-T554 VanDerWaalsContact C-N 3.31Å; S552-T554 PolarHBondContact O-N 3.12Å; T554-Q556 PolarHBondContact O-N 3.37Å
555	P	38.1	Very low	49.2	Very low	134 Å²	134	109 Å²	109	87%	0.87	65%	0.645	S	S	*	*			trans	-83	83.8	-178.5	32.7	-30.6	0	0	0	109.3
556	Q	28.7	Very low	50.5	Low	174 Å²	174	104.2 Å²	104.2	81%	0.813	62%	0.615	S	S	*	*			trans	-140.4	103.5	168.1	-92.1	176	-6.4	0	0	109.8	T554	T554-Q556 PolarHBondContact O-N 3.37Å
557	N	30.6	Very low	52.3	Low	150 Å²	150	97.8 Å²	97.8	80%	0.802	59%	0.591	S	S	*	*			trans	39.1	107.3	147.5	-67.5	-16.2	0	0	0	118.9
558	N	31.9	Very low	54.3	Low	156 Å²	156	91.9 Å²	91.9	83%	0.834	55%	0.553	S	S	*	*			trans	49.6	81.4	139.2	-66.8	-2.9	0	0	0	118
559	C	33.4	Very low	56.5	Low	107 Å²	107	87.5 Å²	87.5	72%	0.723	52%	0.522	S	S	*	.			trans	-158	46.1	143.5	-122.6	0	0	0	0	113.8	I561	C559-I561 PolarHBondContact O-N 2.84Å; C559-I561 VanDerWaalsContact O-N 3.11Å
560	S	37.4	Very low	58.8	Low	107 Å²	107	80.8 Å²	80.8	75%	0.748	49%	0.491	S	S	*	.			trans	-80.1	73	159.2	55.2	0	0	0	0	108.5	T562	S560-T562 PolarHBondContact O-N 2.77Å
561	I	44.9	Very low	61	Low	97 Å²	97	76.6 Å²	76.6	50%	0.497	46%	0.455	S	S	.	.			trans	-76.2	67.7	174.2	-51.5	174.9	0	0	0	108.1	C559 G563 F565	C559-I561 PolarHBondContact O-N 2.84Å; C559-I561 VanDerWaalsContact O-N 3.11Å; I561-G563 PolarHBondContact O-N 2.8Å; I561-G563 VanDerWaalsContact O-N 3.13Å; I561-F565 HydrophobicContact CG2-CE2 4.23Å; I561-F565 HydrophobicContact CG2-CZ 3.91Å
562	T	51.1	Low	63.6	Low	114 Å²	114	72.1 Å²	72.1	70%	0.699	43%	0.425	S	S	*	.			trans	-82.1	76.2	164.4	55.9	0	0	0	0	107.1	V545 S560	V545-T562 HydrophobicContact CG2-CG2 4.1Å; S560-T562 PolarHBondContact O-N 2.77Å
563	G	76.1	Confident	66.2	Low	28 Å²	28	69 Å²	69	29%	0.289	40%	0.402	S	S	.	.			trans	-123.5	161.3	179.6	0	0	0	0	0	111.5	Y543 I561 F565	Y543-G563 PolarHBondContact N-O 2.93Å; I561-G563 PolarHBondContact O-N 2.8Å; I561-G563 VanDerWaalsContact O-N 3.13Å; G563-F565 WeakPolarHBondContact O-CD2 3.42Å; G563-F565 WeakPolarHBondContact O-CE2 3.45Å
564	D	89.3	Confident	69	Low	61 Å²	61	62 Å²	62	33%	0.326	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	143.9	165.8	-66.6	-32.8	0	0	0	110.1	F540 G541 P542 P581 S967	F540-D564 HydrophobicContact CD1-CB 4.45Å; F540-D564 HydrophobicContact CD2-CB 4.26Å; F540-D564 HydrophobicContact CE1-CB 3.7Å; F540-D564 HydrophobicContact CE2-CB 3.48Å; F540-D564 VanDerWaalsContact CE2-CB 3.48Å; F540-D564 HydrophobicContact CZ-CB 3.18Å; G541-D564 CarbonylContact O-C 3.53Å; G541-D564 WeakPolarHBondContact O-CA 3.48Å; P542-D564 WeakPolarHBondContact CD-OD1 3.4Å; D564-P581 VanDerWaalsContact O-CD 3.3Å; D564-P581 WeakPolarHBondContact O-CD 3.47Å; D564-P581 VanDerWaalsContact O-CG 3.26Å; D564-P581 WeakPolarHBondContact O-CG 3.24Å; D564-S967 PolarHBondContact OD2-OG 3.2Å
565	F	94.6	Very high	72	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	159.5	179.3	-74.8	-104.4	0	0	0	110.9	F540 G541 Y543 I561 G563 Y567 V578 L579 N580 H587	F540-F565 WeakPolarHBondContact CA-O 3.35Å; F540-F565 VanDerWaalsContact CD2-O 3.28Å; F540-F565 WeakPolarHBondContact CD2-O 3.3Å; G541-F565 PolarHBondContact N-O 2.88Å; G541-F565 VanDerWaalsContact N-O 3.13Å; G541-F565 PolarHBondContact O-N 3.04Å; Y543-F565 VanDerWaalsContact CB-CE2 3.44Å; Y543-F565 HydrophobicContact CG-CD2 4.33Å; Y543-F565 HydrophobicContact CG-CE2 4.34Å; I561-F565 HydrophobicContact CG2-CE2 4.23Å; I561-F565 HydrophobicContact CG2-CZ 3.91Å; G563-F565 WeakPolarHBondContact O-CD2 3.42Å; G563-F565 WeakPolarHBondContact O-CE2 3.45Å; F565-Y567 HydrophobicContact CB-CE2 4.25Å; F565-V578 HydrophobicContact CB-CG1 3.85Å; F565-V578 HydrophobicContact CD1-CG1 3.81Å; F565-V578 HydrophobicContact CG-CG1 4.08Å; F565-L579 WeakPolarHBondContact CD1-O 3.33Å; F565-N580 WeakPolarHBondContact CE1-OD1 3.33Å; F565-H587 HydrophobicContact CD1-CB 4.12Å; F565-H587 HydrophobicContact CE1-CB 3.79Å; F565-H587 AromaticContact CE1-CD2 3.9Å; F565-H587 AromaticContact CE1-CG 3.61Å; F565-H587 AromaticContact CE1-ND1 4Å
566	I	95.6	Very high	74.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126	175	-58.8	161.4	0	0	0	108.3	W521 V538 F540 V568 V578 L579 P581 L966 I973	W521-I566 HydrophobicContact CH2-CD1 3.88Å; W521-I566 HydrophobicContact CZ2-CD1 3.65Å; V538-I566 HydrophobicContact CG2-CG2 3.57Å; F540-I566 HydrophobicContact CD2-CG1 4.01Å; F540-I566 HydrophobicContact CE2-CG1 4.43Å; I566-V568 HydrophobicContact CG2-CG2 3.92Å; I566-V578 CarbonylContact O-C 3.59Å; I566-V578 WeakPolarHBondContact O-CA 3.48Å; I566-L579 HydrophobicContact CB-CB 4.21Å; I566-L579 PolarHBondContact N-O 2.8Å; I566-L579 PolarHBondContact O-N 2.78Å; I566-P581 HydrophobicContact CD1-CB 3.97Å; I566-P581 HydrophobicContact CG1-CB 4.21Å; I566-L966 HydrophobicContact CG1-CD2 4.43Å; I566-I973 HydrophobicContact CD1-CD1 3.51Å; I566-I973 HydrophobicContact CD1-CG1 3.58Å; I566-I973 HydrophobicContact CG1-CG1 4.08Å; I566-I973 HydrophobicContact CG2-CG1 4.45Å; I566-I973 HydrophobicContact CG2-CG2 4.14Å
567	Y	96.9	Very high	78	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.2	178	-64.6	-85.7	0	0	0	109	V538 A539 G541 P542 Y543 F565 L576 L577 V578 M603 W605 L610 P625	V538-Y567 CarbonylContact C-O 3.59Å; V538-Y567 VanDerWaalsContact CA-O 3.22Å; V538-Y567 WeakPolarHBondContact CA-O 3.5Å; V538-Y567 WeakPolarHBondContact CG2-O 3.44Å; A539-Y567 PolarHBondContact N-O 2.82Å; A539-Y567 PolarHBondContact O-N 2.89Å; G541-Y567 WeakPolarHBondContact O-CE2 3.26Å; P542-Y567 PolarHBondContact O-OH 3.17Å; Y543-Y567 WeakPolarHBondContact CA-OH 3.37Å; Y543-Y567 HydrophobicContact CD2-CE1 4.46Å; F565-Y567 HydrophobicContact CB-CE2 4.25Å; Y567-L576 HydrophobicContact CD1-CD2 4.15Å; Y567-L577 CarbonylContact C-O 3.47Å; Y567-L577 WeakPolarHBondContact CA-O 3.13Å; Y567-V578 HydrophobicContact CD1-CG1 4.28Å; Y567-V578 HydrophobicContact CD1-CG2 3.82Å; Y567-V578 HydrophobicContact CE1-CB 4.49Å; Y567-V578 HydrophobicContact CE1-CG1 3.92Å; Y567-V578 HydrophobicContact CE1-CG2 3.83Å; Y567-M603 WeakPolarHBondContact O-CE 3.36Å; Y567-W605 HydrophobicContact CD2-CE3 4.15Å; Y567-W605 HydrophobicContact CD2-CZ3 4.44Å; Y567-W605 HydrophobicContact CE1-CZ3 4.12Å; Y567-W605 HydrophobicContact CE2-CD2 4.5Å; Y567-W605 AromaticContact CE2-CE3 3.6Å; Y567-W605 HydrophobicContact CE2-CE3 3.6Å; Y567-W605 AromaticContact CE2-CZ3 3.61Å; Y567-W605 HydrophobicContact CE2-CZ3 3.61Å; Y567-W605 AromaticContact CZ-CE3 3.93Å; Y567-W605 AromaticContact CZ-CZ3 3.42Å; Y567-W605 VanDerWaalsContact CZ-CZ3 3.42Å; Y567-W605 VanDerWaalsContact OH-CZ3 3.28Å; Y567-W605 WeakPolarHBondContact OH-CZ3 3.43Å; Y567-L610 HydrophobicContact CD1-CD2 3.94Å; Y567-L610 HydrophobicContact CD2-CD1 4.49Å; Y567-L610 HydrophobicContact CG-CD1 4.32Å; Y567-L610 HydrophobicContact CG-CD2 4.24Å; Y567-P625 HydrophobicContact CE1-CB 3.94Å; Y567-P625 HydrophobicContact CE1-CG 3.84Å
568	V	96.7	Very high	81.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.9	-178.7	-174.3	0	0	0	0	111.2	P535 V538 I566 D570 L576 L577 L579 I982	P535-V568 HydrophobicContact CB-CG1 4.47Å; V538-V568 HydrophobicContact CG2-CG2 4.14Å; I566-V568 HydrophobicContact CG2-CG2 3.92Å; V568-D570 PolarHBondContact O-N 3.3Å; V568-L576 WeakPolarHBondContact O-CA 3.43Å; V568-L577 HydrophobicContact CB-CB 4.42Å; V568-L577 PolarHBondContact N-O 2.92Å; V568-L577 PolarHBondContact O-N 3.03Å; V568-L579 HydrophobicContact CG2-CD1 4.07Å; V568-I982 HydrophobicContact CB-CD1 4.09Å; V568-I982 HydrophobicContact CG1-CD1 3.68Å; V568-I982 HydrophobicContact CG1-CG1 3.88Å; V568-I982 HydrophobicContact CG2-CD1 3.86Å; V568-I982 HydrophobicContact CG2-CG1 4.15Å; V568-I982 HydrophobicContact CG2-CG2 4.43Å
569	L	96.2	Very high	84.1	Confident	1 Å²	1	28 Å²	28	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	106.7	171.6	-73.6	-172.8	0	0	0	110.6	P535 F536 A537 T571 L576 L595 A600 M603	P535-L569 WeakPolarHBondContact CA-O 3.34Å; F536-L569 PolarHBondContact N-O 3.31Å; F536-L569 VanDerWaalsContact N-O 3.08Å; A537-L569 HydrophobicContact CB-CB 4.29Å; A537-L569 HydrophobicContact CB-CD1 3.94Å; A537-L569 HydrophobicContact CB-CG 4.3Å; A537-L569 PolarHBondContact O-N 2.84Å; L569-T571 VanDerWaalsContact C-N 3.33Å; L569-T571 PolarHBondContact O-N 3.25Å; L569-L576 HydrophobicContact CD2-CB 4.49Å; L569-L576 HydrophobicContact CD2-CD1 3.69Å; L569-L576 HydrophobicContact CG-CD1 4.35Å; L569-L595 HydrophobicContact CD2-CD2 3.37Å; L569-A600 HydrophobicContact CD1-CB 4.14Å; L569-A600 HydrophobicContact CD2-CB 4.29Å; L569-M603 HydrophobicContact CD1-CB 3.84Å; L569-M603 HydrophobicContact CD1-SD 4.37Å; L569-M603 HydrophobicContact CD2-SD 3.91Å; L569-M603 HydrophobicContact CG-CB 4.21Å; L569-M603 HydrophobicContact CG-CE 3.92Å; L569-M603 HydrophobicContact CG-SD 3.8Å
570	D	95.6	Very high	86.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	71.9	170.6	-173.6	12.9	0	0	0	109.2	L532 I533 V568 G572 N573 S574 R575	L532-D570 HydrophobicContact CD2-CB 4.46Å; I533-D570 PolarHBondContact N-OD1 3Å; V568-D570 PolarHBondContact O-N 3.3Å; D570-G572 VanDerWaalsContact C-N 3.32Å; D570-G572 PolarHBondContact O-N 3.26Å; D570-N573 CarbonylContact O-C 3.56Å; D570-N573 PolarHBondContact O-N 2.87Å; D570-N573 PolarHBondContact OD1-ND2 3.39Å; D570-N573 WeakPolarHBondContact OD2-CB 3.17Å; D570-N573 PolarHBondContact OD2-ND2 3.43Å; D570-S574 PolarHBondContact O-N 3.46Å; D570-S574 VanDerWaalsContact O-N 3.14Å; D570-R575 HydrophobicContact CB-CG 3.83Å; D570-R575 PolarHBondContact N-O 3.14Å; D570-R575 PolarHBondContact O-N 3.01Å; D570-R575 IonicContact OD2-CZ 3.61Å; D570-R575 VanDerWaalsContact OD2-CZ 3.26Å; D570-R575 IonicContact OD2-NE 3.99Å; D570-R575 PolarHBondContact OD2-NE 3.37Å; D570-R575 IonicContact OD2-NH2 3.42Å; D570-R575 PolarHBondContact OD2-NH2 2.89Å
571	T	95	Very high	89.5	Confident	5 Å²	5	21 Å²	21	3%	0.031	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-52.3	-45.8	-167	-46.5	0	0	0	0	113	Q534 L569 N573 S574 Q598 A600	Q534-T571 WeakPolarHBondContact O-CB 3.28Å; Q534-T571 PolarHBondContact O-OG1 2.91Å; L569-T571 VanDerWaalsContact C-N 3.33Å; L569-T571 PolarHBondContact O-N 3.25Å; T571-N573 VanDerWaalsContact C-N 3.26Å; T571-N573 PolarHBondContact O-N 2.68Å; T571-S574 PolarHBondContact O-N 3.1Å; T571-Q598 WeakPolarHBondContact CG2-O 3.39Å; T571-Q598 VanDerWaalsContact O-CA 3.32Å; T571-Q598 WeakPolarHBondContact O-CA 2.91Å; T571-A600 VanDerWaalsContact CG2-O 3.23Å; T571-A600 WeakPolarHBondContact CG2-O 2.96Å; T571-A600 PolarHBondContact OG1-O 2.92Å; T571-A600 VanDerWaalsContact OG1-O 3.1Å
572	G	93.8	Very high	91.6	Very high	8 Å²	8	20 Å²	20	8%	0.082	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-66.6	-27.5	-177.8	0	0	0	0	0	113.2	I533 D570 Q598	I533-G572 WeakPolarHBondContact O-CA 2.91Å; I533-G572 PolarHBondContact O-N 3.03Å; D570-G572 VanDerWaalsContact C-N 3.32Å; D570-G572 PolarHBondContact O-N 3.26Å; G572-Q598 WeakPolarHBondContact O-CG 3.33Å; G572-Q598 PolarHBondContact O-NE2 2.81Å
573	N	94.9	Very high	93.5	Very high	21 Å²	21	19.1 Å²	19.1	11%	0.112	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-91.9	1.2	173.1	-73.6	-46.9	0	0	0	113.5	G531 I533 D570 T571 R575	G531-N573 PolarHBondContact O-ND2 2.87Å; I533-N573 WeakPolarHBondContact CD1-OD1 3.32Å; D570-N573 CarbonylContact O-C 3.56Å; D570-N573 PolarHBondContact O-N 2.87Å; D570-N573 PolarHBondContact OD1-ND2 3.39Å; D570-N573 WeakPolarHBondContact OD2-CB 3.17Å; D570-N573 PolarHBondContact OD2-ND2 3.43Å; T571-N573 VanDerWaalsContact C-N 3.26Å; T571-N573 PolarHBondContact O-N 2.68Å; N573-R575 VanDerWaalsContact C-N 3.27Å; N573-R575 HydrophobicContact CB-CG 3.92Å; N573-R575 PolarHBondContact ND2-NH2 2.95Å; N573-R575 PolarHBondContact O-N 3.47Å
574	S	95.7	Very high	94.2	Very high	32 Å²	32	18 Å²	18	22%	0.224	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	43	-179.5	-58.4	0	0	0	0	113.1	D570 T571 L595 Q598	D570-S574 PolarHBondContact O-N 3.46Å; D570-S574 VanDerWaalsContact O-N 3.14Å; T571-S574 PolarHBondContact O-N 3.1Å; S574-L595 WeakPolarHBondContact CA-O 3.43Å; S574-L595 WeakPolarHBondContact CB-O 3.34Å; S574-Q598 WeakPolarHBondContact OG-CG 3.34Å; S574-Q598 PolarHBondContact OG-N 3.44Å; S574-Q598 VanDerWaalsContact OG-N 3.13Å
575	R	95.6	Very high	94.4	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.015	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.4	-177.6	70.3	-178.4	176.4	178.9	-4.4	112.1	D528 R530 D570 N573 L577 T589 V590 T591	D528-R575 IonicContact OD1-CZ 3.51Å; D528-R575 IonicContact OD1-NH1 2.81Å; D528-R575 PolarHBondContact OD1-NH1 3.08Å; D528-R575 IonicContact OD1-NH2 3.99Å; D528-R575 IonicContact OD2-CZ 3.53Å; D528-R575 IonicContact OD2-NH1 2.68Å; D528-R575 PolarHBondContact OD2-NH1 2.97Å; R530-R575 PolarHBondContact O-NH2 3.42Å; R530-R575 VanDerWaalsContact O-NH2 3.11Å; D570-R575 HydrophobicContact CB-CG 3.83Å; D570-R575 PolarHBondContact N-O 3.14Å; D570-R575 PolarHBondContact O-N 3.01Å; D570-R575 IonicContact OD2-CZ 3.61Å; D570-R575 VanDerWaalsContact OD2-CZ 3.26Å; D570-R575 IonicContact OD2-NE 3.99Å; D570-R575 PolarHBondContact OD2-NE 3.37Å; D570-R575 IonicContact OD2-NH2 3.42Å; D570-R575 PolarHBondContact OD2-NH2 2.89Å; N573-R575 VanDerWaalsContact C-N 3.27Å; N573-R575 HydrophobicContact CB-CG 3.92Å; N573-R575 PolarHBondContact ND2-NH2 2.95Å; N573-R575 PolarHBondContact O-N 3.47Å; R575-L577 HydrophobicContact CG-CD2 4.42Å; R575-T589 HydrophobicContact CB-CG2 4.14Å; R575-T589 HydrophobicContact CG-CG2 4.41Å; R575-V590 WeakPolarHBondContact CA-O 3.05Å; R575-T591 HydrophobicContact CB-CG2 4.02Å
576	L	96.2	Very high	94.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.7	174.4	175.4	77	0	0	0	108.9	Y567 V568 L569 T589 V590 L595 M603 L610 L623	Y567-L576 HydrophobicContact CD1-CD2 4.15Å; V568-L576 WeakPolarHBondContact O-CA 3.43Å; L569-L576 HydrophobicContact CD2-CB 4.49Å; L569-L576 HydrophobicContact CD2-CD1 3.69Å; L569-L576 HydrophobicContact CG-CD1 4.35Å; L576-T589 CarbonylContact O-C 3.56Å; L576-T589 WeakPolarHBondContact O-CA 3.41Å; L576-V590 HydrophobicContact CB-CB 4.17Å; L576-V590 HydrophobicContact CD2-CB 4.24Å; L576-V590 PolarHBondContact N-O 3.39Å; L576-V590 PolarHBondContact O-N 2.91Å; L576-L595 HydrophobicContact CB-CD1 3.68Å; L576-L595 HydrophobicContact CB-CD2 4.12Å; L576-M603 HydrophobicContact CD1-CE 3.83Å; L576-M603 HydrophobicContact CD1-SD 3.5Å; L576-M603 VanDerWaalsContact CD1-SD 3.5Å; L576-L610 HydrophobicContact CD1-CD2 4.24Å; L576-L610 HydrophobicContact CD2-CD2 3.45Å; L576-L610 VanDerWaalsContact CD2-CD2 3.45Å; L576-L623 HydrophobicContact CD2-CD2 4.31Å
577	L	95.9	Very high	94	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.6	175.6	-56.8	180	0	0	0	109.7	L523 L532 Y567 V568 R575 L579 L586 T589	L523-L577 HydrophobicContact CD2-CD1 4.19Å; L532-L577 HydrophobicContact CD2-CD1 3.4Å; Y567-L577 CarbonylContact C-O 3.47Å; Y567-L577 WeakPolarHBondContact CA-O 3.13Å; V568-L577 HydrophobicContact CB-CB 4.42Å; V568-L577 PolarHBondContact N-O 2.92Å; V568-L577 PolarHBondContact O-N 3.03Å; R575-L577 HydrophobicContact CG-CD2 4.42Å; L577-L579 HydrophobicContact CB-CD2 4.24Å; L577-L586 HydrophobicContact CB-CD1 3.88Å; L577-L586 HydrophobicContact CD2-CD1 3.96Å; L577-L586 HydrophobicContact CG-CD1 4.4Å; L577-T589 HydrophobicContact CD2-CG2 3.94Å; L577-T589 WeakPolarHBondContact CD2-OG1 3.46Å
578	V	95.5	Very high	93.9	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119	176.6	-172.8	0	0	0	0	108.1	Y543 F565 I566 Y567 H587 T588 V590	Y543-V578 HydrophobicContact CD2-CG1 3.9Å; Y543-V578 HydrophobicContact CE2-CG1 4.09Å; Y543-V578 HydrophobicContact CE2-CG2 4.46Å; F565-V578 HydrophobicContact CB-CG1 3.85Å; F565-V578 HydrophobicContact CD1-CG1 3.81Å; F565-V578 HydrophobicContact CG-CG1 4.08Å; I566-V578 CarbonylContact O-C 3.59Å; I566-V578 WeakPolarHBondContact O-CA 3.48Å; Y567-V578 HydrophobicContact CD1-CG1 4.28Å; Y567-V578 HydrophobicContact CD1-CG2 3.82Å; Y567-V578 HydrophobicContact CE1-CB 4.49Å; Y567-V578 HydrophobicContact CE1-CG1 3.92Å; Y567-V578 HydrophobicContact CE1-CG2 3.83Å; V578-H587 HydrophobicContact CB-CB 4.49Å; V578-H587 HydrophobicContact CG1-CB 4.36Å; V578-H587 WeakPolarHBondContact O-CA 3.37Å; V578-H587 WeakPolarHBondContact O-CB 3.49Å; V578-H587 PolarHBondContact O-N 3.05Å; V578-T588 HydrophobicContact CB-CG2 3.74Å; V578-T588 HydrophobicContact CG1-CG2 4.47Å; V578-T588 HydrophobicContact CG2-CG2 3.58Å; V578-T588 PolarHBondContact N-O 2.87Å; V578-T588 PolarHBondContact O-N 3.14Å; V578-V590 HydrophobicContact CG2-CG2 4.47Å
579	L	95.3	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.4	-172	-44.7	177.9	0	0	0	111.7	W521 L523 F565 I566 V568 L577 S585 L586 I982	W521-L579 HydrophobicContact CH2-CD1 4.28Å; W521-L579 HydrophobicContact CZ3-CD1 4.44Å; L523-L579 HydrophobicContact CD2-CD1 3.75Å; L523-L579 HydrophobicContact CD2-CD2 3.53Å; L523-L579 HydrophobicContact CD2-CG 4.3Å; F565-L579 WeakPolarHBondContact CD1-O 3.33Å; I566-L579 HydrophobicContact CB-CB 4.21Å; I566-L579 PolarHBondContact N-O 2.8Å; I566-L579 PolarHBondContact O-N 2.78Å; V568-L579 HydrophobicContact CG2-CD1 4.07Å; L577-L579 HydrophobicContact CB-CD2 4.24Å; L579-S585 CarbonylContact C-O 3.55Å; L579-S585 WeakPolarHBondContact CA-O 3.28Å; L579-L586 HydrophobicContact CD2-CB 4.11Å; L579-L586 HydrophobicContact CD2-CD1 3.51Å; L579-L586 HydrophobicContact CD2-CG 4.42Å; L579-I982 HydrophobicContact CD1-CD1 4.31Å
580	N	92.5	Very high	93.7	Very high	36 Å²	36	26.5 Å²	26.5	19%	0.193	16%	0.162	C	C	.	.			trans	-71.8	127.5	168.6	-72	-54.5	0	0	0	110	F565 A582 D583 G584 S585	F565-N580 WeakPolarHBondContact CE1-OD1 3.33Å; N580-A582 VanDerWaalsContact C-N 3.32Å; N580-A582 PolarHBondContact O-N 3.16Å; N580-D583 WeakPolarHBondContact CB-OD1 3.32Å; N580-G584 VanDerWaalsContact O-CA 3.26Å; N580-G584 WeakPolarHBondContact O-CA 3.29Å; N580-G584 PolarHBondContact O-N 2.95Å; N580-S585 PolarHBondContact N-O 3.13Å; N580-S585 PolarHBondContact ND2-OG 3.07Å
581	P	91.4	Very high	93.6	Very high	30 Å²	30	30.1 Å²	30.1	20%	0.195	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-28.3	-175.7	27.2	-35.9	0	0	0	113.9	W521 F540 D564 I566 R984	W521-P581 PolarHBondContact NE1-O 2.83Å; W521-P581 VanDerWaalsContact NE1-O 3.16Å; F540-P581 HydrophobicContact CE2-CB 4.17Å; F540-P581 HydrophobicContact CE2-CG 4.42Å; D564-P581 VanDerWaalsContact O-CD 3.3Å; D564-P581 WeakPolarHBondContact O-CD 3.47Å; D564-P581 VanDerWaalsContact O-CG 3.26Å; D564-P581 WeakPolarHBondContact O-CG 3.24Å; I566-P581 HydrophobicContact CD1-CB 3.97Å; I566-P581 HydrophobicContact CG1-CB 4.21Å; P581-R984 PolarHBondContact O-NH1 2.88Å
582	A	88.9	Confident	93.4	Very high	77 Å²	77	31.6 Å²	31.6	64%	0.636	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-49.2	-176.7	0	0	0	0	0	112.6	N580	N580-A582 VanDerWaalsContact C-N 3.32Å; N580-A582 PolarHBondContact O-N 3.16Å
583	D	90.8	Very high	93.4	Very high	95 Å²	95	37.3 Å²	37.3	51%	0.508	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-6.6	-170.9	64.3	-1.4	0	0	0	114.2	N580 S585	N580-D583 WeakPolarHBondContact CB-OD1 3.32Å; D583-S585 VanDerWaalsContact CG-OG 3.26Å; D583-S585 PolarHBondContact O-N 3.17Å; D583-S585 VanDerWaalsContact OD1-CB 3.32Å; D583-S585 WeakPolarHBondContact OD1-CB 3.49Å; D583-S585 PolarHBondContact OD1-N 2.98Å; D583-S585 PolarHBondContact OD1-OG 3.18Å; D583-S585 PolarHBondContact OD2-OG 3.35Å
584	G	91.7	Very high	93.4	Very high	4 Å²	4	36.4 Å²	36.4	4%	0.041	22%	0.221	C	C	.	.			trans	74.5	10.6	-177.4	0	0	0	0	0	114.2	W521 N580	W521-G584 VanDerWaalsContact CD2-CA 3.49Å; W521-G584 VanDerWaalsContact CE2-CA 3.47Å; N580-G584 VanDerWaalsContact O-CA 3.26Å; N580-G584 WeakPolarHBondContact O-CA 3.29Å; N580-G584 PolarHBondContact O-N 2.95Å
585	S	92.6	Very high	93.4	Very high	45 Å²	45	35 Å²	35	32%	0.315	21%	0.211	S	C	.	.			trans	-66.8	142.8	177.6	61.2	0	0	0	0	111.1	L579 N580 D583 H587	L579-S585 CarbonylContact C-O 3.55Å; L579-S585 WeakPolarHBondContact CA-O 3.28Å; N580-S585 PolarHBondContact N-O 3.13Å; N580-S585 PolarHBondContact ND2-OG 3.07Å; D583-S585 VanDerWaalsContact CG-OG 3.26Å; D583-S585 PolarHBondContact O-N 3.17Å; D583-S585 VanDerWaalsContact OD1-CB 3.32Å; D583-S585 WeakPolarHBondContact OD1-CB 3.49Å; D583-S585 PolarHBondContact OD1-N 2.98Å; D583-S585 PolarHBondContact OD1-OG 3.18Å; D583-S585 PolarHBondContact OD2-OG 3.35Å; S585-H587 PolarHBondContact O-N 3.39Å
586	L	92.4	Very high	93.4	Very high	48 Å²	48	37.5 Å²	37.5	25%	0.251	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.4	-179.8	-179.4	65.1	0	0	0	110.2	S527 L577 L579 T588	S527-L586 VanDerWaalsContact CB-CD2 3.48Å; L577-L586 HydrophobicContact CB-CD1 3.88Å; L577-L586 HydrophobicContact CD2-CD1 3.96Å; L577-L586 HydrophobicContact CG-CD1 4.4Å; L579-L586 HydrophobicContact CD2-CB 4.11Å; L579-L586 HydrophobicContact CD2-CD1 3.51Å; L579-L586 HydrophobicContact CD2-CG 4.42Å; L586-T588 VanDerWaalsContact CD1-O 3.3Å; L586-T588 WeakPolarHBondContact CD1-O 3.47Å
587	H	91.3	Very high	93.3	Very high	79 Å²	79	39.7 Å²	39.7	37%	0.366	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-53.5	176.3	177.8	64.9	0	0	0	111.7	Y543 F565 V578 S585	Y543-H587 AromaticContact CD1-NE2 3.92Å; Y543-H587 AromaticContact CE1-NE2 3.52Å; Y543-H587 AromaticContact CE2-CD2 3.95Å; Y543-H587 AromaticContact CZ-CD2 3.89Å; Y543-H587 AromaticContact CZ-NE2 3.62Å; F565-H587 HydrophobicContact CD1-CB 4.12Å; F565-H587 HydrophobicContact CE1-CB 3.79Å; F565-H587 AromaticContact CE1-CD2 3.9Å; F565-H587 AromaticContact CE1-CG 3.61Å; F565-H587 AromaticContact CE1-ND1 4Å; V578-H587 HydrophobicContact CB-CB 4.49Å; V578-H587 HydrophobicContact CG1-CB 4.36Å; V578-H587 WeakPolarHBondContact O-CA 3.37Å; V578-H587 WeakPolarHBondContact O-CB 3.49Å; V578-H587 PolarHBondContact O-N 3.05Å; S585-H587 PolarHBondContact O-N 3.39Å
588	T	92.9	Very high	93.2	Very high	40 Å²	40	45.5 Å²	45.5	25%	0.245	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	165.1	177.2	-168.4	0	0	0	0	111.6	Y543 V578 L586 V590	Y543-T588 HydrophobicContact CE2-CG2 4.03Å; V578-T588 HydrophobicContact CB-CG2 3.74Å; V578-T588 HydrophobicContact CG1-CG2 4.47Å; V578-T588 HydrophobicContact CG2-CG2 3.58Å; V578-T588 PolarHBondContact N-O 2.87Å; V578-T588 PolarHBondContact O-N 3.14Å; L586-T588 VanDerWaalsContact CD1-O 3.3Å; L586-T588 WeakPolarHBondContact CD1-O 3.47Å; T588-V590 HydrophobicContact CG2-CG2 4.24Å
589	T	94.8	Very high	93.2	Very high	31 Å²	31	45.5 Å²	45.5	19%	0.19	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.3	172.7	-62.6	0	0	0	0	108.8	S527 R575 L576 L577	S527-T589 PolarHBondContact OG-OG1 2.86Å; R575-T589 HydrophobicContact CB-CG2 4.14Å; R575-T589 HydrophobicContact CG-CG2 4.41Å; L576-T589 CarbonylContact O-C 3.56Å; L576-T589 WeakPolarHBondContact O-CA 3.41Å; L577-T589 HydrophobicContact CD2-CG2 3.94Å; L577-T589 WeakPolarHBondContact CD2-OG1 3.46Å
590	V	94.2	Very high	93.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.4	-179.4	176.5	0	0	0	0	109.6	R575 L576 V578 T588 L595 L623 P625 E628	R575-V590 WeakPolarHBondContact CA-O 3.05Å; L576-V590 HydrophobicContact CB-CB 4.17Å; L576-V590 HydrophobicContact CD2-CB 4.24Å; L576-V590 PolarHBondContact N-O 3.39Å; L576-V590 PolarHBondContact O-N 2.91Å; V578-V590 HydrophobicContact CG2-CG2 4.47Å; T588-V590 HydrophobicContact CG2-CG2 4.24Å; V590-L595 HydrophobicContact CG1-CD1 4.39Å; V590-L595 WeakPolarHBondContact O-CD1 3.49Å; V590-L623 HydrophobicContact CG1-CD2 4.01Å; V590-P625 HydrophobicContact CG2-CB 4.41Å; V590-P625 WeakPolarHBondContact CG2-O 3.31Å; V590-E628 HydrophobicContact CG1-CB 4.28Å; V590-E628 HydrophobicContact CG1-CG 3.85Å; V590-E628 HydrophobicContact CG2-CG 4.39Å
591	T	93.1	Very high	93.4	Very high	77 Å²	77	44.6 Å²	44.6	47%	0.472	28%	0.275	S	S	.	.			trans	-131.4	161.1	173.6	61.2	0	0	0	0	109.4	R575	R575-T591 HydrophobicContact CB-CG2 4.02Å
592	G	91.9	Very high	93.6	Very high	36 Å²	36	43.2 Å²	43.2	37%	0.371	27%	0.266	S	S	.	.	S	Bend	trans	159.3	-179.6	178.4	0	0	0	0	0	113.5	P594 L595 S596	G592-P594 VanDerWaalsContact C-CD 3.48Å; G592-L595 PolarHBondContact O-N 2.81Å; G592-S596 PolarHBondContact O-N 3.11Å
593	E	93.7	Very high	93.9	Very high	128 Å²	128	40.2 Å²	40.2	60%	0.598	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-52.1	-45.4	-179.9	179.6	-177.5	-167.5	0	0	113.5	L595 S596 F621	E593-L595 PolarHBondContact O-N 3.38Å; E593-L595 VanDerWaalsContact O-N 3.08Å; E593-S596 VanDerWaalsContact O-CB 3.3Å; E593-S596 WeakPolarHBondContact O-CB 3.21Å; E593-S596 PolarHBondContact O-N 2.79Å; E593-S596 VanDerWaalsContact O-N 3.09Å; E593-S596 PolarHBondContact O-OG 2.98Å; E593-F621 HydrophobicContact CG-CZ 4.49Å
594	P	95.2	Very high	94.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.013	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-57.6	-29.2	179.2	-28.2	37.9	0	0	0	114.2	G592 I612 N614 F621 L623 V630	G592-P594 VanDerWaalsContact C-CD 3.48Å; P594-I612 HydrophobicContact CB-CB 4.42Å; P594-I612 HydrophobicContact CB-CD1 4.3Å; P594-I612 HydrophobicContact CB-CG2 4.43Å; P594-N614 PolarHBondContact O-ND2 3.49Å; P594-F621 HydrophobicContact CB-CB 3.73Å; P594-F621 HydrophobicContact CB-CD2 3.93Å; P594-F621 HydrophobicContact CB-CG 3.85Å; P594-F621 HydrophobicContact CG-CB 3.7Å; P594-F621 HydrophobicContact CG-CD1 4.16Å; P594-F621 HydrophobicContact CG-CD2 4.34Å; P594-F621 HydrophobicContact CG-CG 3.83Å; P594-L623 HydrophobicContact CG-CD1 4.45Å; P594-V630 HydrophobicContact CG-CG2 3.55Å
595	L	96.1	Very high	94.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-95.5	-5.7	-174.5	-60.9	167.5	0	0	0	112.9	L569 S574 L576 V590 G592 E593 A600 I612	L569-L595 HydrophobicContact CD2-CD2 3.37Å; S574-L595 WeakPolarHBondContact CA-O 3.43Å; S574-L595 WeakPolarHBondContact CB-O 3.34Å; L576-L595 HydrophobicContact CB-CD1 3.68Å; L576-L595 HydrophobicContact CB-CD2 4.12Å; V590-L595 HydrophobicContact CG1-CD1 4.39Å; V590-L595 WeakPolarHBondContact O-CD1 3.49Å; G592-L595 PolarHBondContact O-N 2.81Å; E593-L595 PolarHBondContact O-N 3.38Å; E593-L595 VanDerWaalsContact O-N 3.08Å; L595-A600 HydrophobicContact CD2-CB 3.99Å; L595-I612 HydrophobicContact CD2-CD1 3.94Å; L595-I612 HydrophobicContact CG-CD1 4.47Å
596	S	94.1	Very high	94.3	Very high	56 Å²	56	36.2 Å²	36.2	39%	0.392	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-67.2	157.6	-171.8	69.1	0	0	0	0	113.7	G592 E593 Q598 N614	G592-S596 PolarHBondContact O-N 3.11Å; E593-S596 VanDerWaalsContact O-CB 3.3Å; E593-S596 WeakPolarHBondContact O-CB 3.21Å; E593-S596 PolarHBondContact O-N 2.79Å; E593-S596 VanDerWaalsContact O-N 3.09Å; E593-S596 PolarHBondContact O-OG 2.98Å; S596-Q598 VanDerWaalsContact C-N 3.3Å; S596-Q598 PolarHBondContact O-N 2.79Å; S596-N614 PolarHBondContact O-ND2 2.83Å
597	G	94	Very high	94.1	Very high	47 Å²	47	38.2 Å²	38.2	49%	0.485	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	69.8	21.1	170.7	0	0	0	0	0	115.2	A599	G597-A599 PolarHBondContact O-N 2.68Å; G597-A599 VanDerWaalsContact O-N 3.17Å
598	Q	95.5	Very high	93.9	Very high	121 Å²	121	39.8 Å²	39.8	57%	0.565	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	52.1	37.4	-179.4	-58.1	174.4	-23.2	0	0	112.8	T571 G572 S574 S596	T571-Q598 WeakPolarHBondContact CG2-O 3.39Å; T571-Q598 VanDerWaalsContact O-CA 3.32Å; T571-Q598 WeakPolarHBondContact O-CA 2.91Å; G572-Q598 WeakPolarHBondContact O-CG 3.33Å; G572-Q598 PolarHBondContact O-NE2 2.81Å; S574-Q598 WeakPolarHBondContact OG-CG 3.34Å; S574-Q598 PolarHBondContact OG-N 3.44Å; S574-Q598 VanDerWaalsContact OG-N 3.13Å; S596-Q598 VanDerWaalsContact C-N 3.3Å; S596-Q598 PolarHBondContact O-N 2.79Å
599	A	95.7	Very high	93.9	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.225	C	C	.	.			trans	-127.2	2.6	-168	0	0	0	0	0	114.3	G597 T601 N614 W615 R616	G597-A599 PolarHBondContact O-N 2.68Å; G597-A599 VanDerWaalsContact O-N 3.17Å; A599-T601 PolarHBondContact O-N 2.72Å; A599-N614 VanDerWaalsContact CB-OD1 3.24Å; A599-N614 WeakPolarHBondContact CB-OD1 3.34Å; A599-N614 WeakPolarHBondContact O-CA 3.34Å; A599-W615 HydrophobicContact CB-CG 4.44Å; A599-W615 PolarHBondContact O-N 2.94Å; A599-W615 VanDerWaalsContact O-N 3.12Å; A599-R616 HydrophobicContact CB-CB 3.47Å; A599-R616 VanDerWaalsContact CB-CB 3.47Å
600	A	96.9	Very high	94	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	113.5	171.3	0	0	0	0	0	110.5	L569 T571 L595 I612 V613	L569-A600 HydrophobicContact CD1-CB 4.14Å; L569-A600 HydrophobicContact CD2-CB 4.29Å; T571-A600 VanDerWaalsContact CG2-O 3.23Å; T571-A600 WeakPolarHBondContact CG2-O 2.96Å; T571-A600 PolarHBondContact OG1-O 2.92Å; T571-A600 VanDerWaalsContact OG1-O 3.1Å; L595-A600 HydrophobicContact CD2-CB 3.99Å; A600-I612 HydrophobicContact CB-CG2 3.85Å; A600-V613 VanDerWaalsContact CA-O 3.29Å; A600-V613 WeakPolarHBondContact CA-O 3.46Å
601	T	94.7	Very high	94.1	Very high	15 Å²	15	36.8 Å²	36.8	9%	0.092	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	-24.9	-173.4	56.5	0	0	0	0	114.3	F536 A599 V613 T643	F536-T601 WeakPolarHBondContact CD1-O 3.22Å; F536-T601 VanDerWaalsContact CE1-O 3.25Å; F536-T601 WeakPolarHBondContact CE1-O 3.44Å; A599-T601 PolarHBondContact O-N 2.72Å; T601-V613 PolarHBondContact N-O 3.04Å; T601-T643 CarbonylContact C-O 3.54Å; T601-T643 VanDerWaalsContact C-O 3.23Å; T601-T643 WeakPolarHBondContact CB-O 3.41Å; T601-T643 WeakPolarHBondContact OG1-CA 3.45Å; T601-T643 PolarHBondContact OG1-O 2.78Å
602	G	94.1	Very high	94.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.6	178.7	0	0	0	0	0	110.2	I612 V613 T643	G602-I612 CarbonylContact O-C 3.6Å; G602-I612 WeakPolarHBondContact O-CA 3.47Å; G602-V613 PolarHBondContact O-N 3.22Å; G602-T643 WeakPolarHBondContact CA-O 3.48Å; G602-T643 PolarHBondContact N-O 2.93Å
603	M	96.5	Very high	94.6	Very high	14 Å²	14	31.4 Å²	31.4	7%	0.069	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	142.3	175.7	-175.3	169.4	67.8	0	0	112.2	A537 A539 Y567 L569 L576 L610 W611 I612	A537-M603 HydrophobicContact CB-CB 4.25Å; A539-M603 HydrophobicContact CB-CE 3.84Å; A539-M603 HydrophobicContact CB-CG 4.21Å; Y567-M603 WeakPolarHBondContact O-CE 3.36Å; L569-M603 HydrophobicContact CD1-CB 3.84Å; L569-M603 HydrophobicContact CD1-SD 4.37Å; L569-M603 HydrophobicContact CD2-SD 3.91Å; L569-M603 HydrophobicContact CG-CB 4.21Å; L569-M603 HydrophobicContact CG-CE 3.92Å; L569-M603 HydrophobicContact CG-SD 3.8Å; L576-M603 HydrophobicContact CD1-CE 3.83Å; L576-M603 HydrophobicContact CD1-SD 3.5Å; L576-M603 VanDerWaalsContact CD1-SD 3.5Å; M603-L610 HydrophobicContact CG-CD1 3.54Å; M603-L610 HydrophobicContact CG-CD2 4.2Å; M603-L610 HydrophobicContact CG-CG 3.76Å; M603-L610 HydrophobicContact SD-CD1 3.75Å; M603-L610 HydrophobicContact SD-CD2 3.49Å; M603-L610 WeakPolarHBondContact SD-CD2 3.39Å; M603-L610 HydrophobicContact SD-CG 3.75Å; M603-W611 CarbonylContact C-O 3.53Å; M603-W611 WeakPolarHBondContact CA-O 3.46Å; M603-W611 WeakPolarHBondContact CG-O 3.45Å; M603-I612 HydrophobicContact CG-CG1 4.19Å; M603-I612 HydrophobicContact SD-CG1 4.29Å
604	V	96.1	Very high	94.8	Very high	26 Å²	26	25.5 Å²	25.5	16%	0.158	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	142.9	173.1	66.9	0	0	0	0	111.4	W611 I645 R647 L654	V604-W611 HydrophobicContact CG1-CB 4.02Å; V604-W611 PolarHBondContact N-O 2.88Å; V604-W611 PolarHBondContact O-N 2.83Å; V604-I645 HydrophobicContact CB-CG2 4.26Å; V604-I645 HydrophobicContact CG1-CD1 4.28Å; V604-I645 HydrophobicContact CG1-CG1 3.97Å; V604-I645 HydrophobicContact CG1-CG2 3.93Å; V604-R647 HydrophobicContact CG1-CB 4.29Å; V604-R647 HydrophobicContact CG2-CB 3.96Å; V604-L654 HydrophobicContact CG1-CD2 4.4Å
605	W	94.7	Very high	94.7	Very high	33 Å²	33	28.8 Å²	28.8	13%	0.125	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	140	174.7	-169.1	-96	0	0	0	112.1	P542 P544 Y567 L610 P625 R647	P542-W605 VanDerWaalsContact CD-NE1 3.34Å; P542-W605 HydrophobicContact CG-CZ2 3.91Å; P542-W605 WeakPolarHBondContact O-CH2 3.47Å; P542-W605 WeakPolarHBondContact O-CZ2 3.29Å; P544-W605 HydrophobicContact CG-CH2 3.93Å; Y567-W605 HydrophobicContact CD2-CE3 4.15Å; Y567-W605 HydrophobicContact CD2-CZ3 4.44Å; Y567-W605 HydrophobicContact CE1-CZ3 4.12Å; Y567-W605 HydrophobicContact CE2-CD2 4.5Å; Y567-W605 AromaticContact CE2-CE3 3.6Å; Y567-W605 HydrophobicContact CE2-CE3 3.6Å; Y567-W605 AromaticContact CE2-CZ3 3.61Å; Y567-W605 HydrophobicContact CE2-CZ3 3.61Å; Y567-W605 AromaticContact CZ-CE3 3.93Å; Y567-W605 AromaticContact CZ-CZ3 3.42Å; Y567-W605 VanDerWaalsContact CZ-CZ3 3.42Å; Y567-W605 VanDerWaalsContact OH-CZ3 3.28Å; Y567-W605 WeakPolarHBondContact OH-CZ3 3.43Å; W605-L610 HydrophobicContact CE3-CB 4.09Å; W605-L610 HydrophobicContact CE3-CD1 3.64Å; W605-L610 HydrophobicContact CE3-CG 4.44Å; W605-L610 HydrophobicContact CZ3-CB 3.94Å; W605-L610 HydrophobicContact CZ3-CD1 4.2Å; W605-P625 HydrophobicContact CH2-CG 4.13Å; W605-P625 HydrophobicContact CZ3-CG 4.02Å; W605-R647 PolarHBondContact O-NE 3.36Å; W605-R647 VanDerWaalsContact O-NE 3.16Å
606	S	92.5	Very high	94.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	160.3	170.7	72.6	0	0	0	0	110.6	Q608 G609	S606-Q608 PolarHBondContact O-N 2.86Å; S606-Q608 VanDerWaalsContact O-N 3.1Å; S606-G609 WeakPolarHBondContact CA-O 3.4Å; S606-G609 WeakPolarHBondContact CB-O 3.4Å; S606-G609 PolarHBondContact N-O 3.25Å; S606-G609 PolarHBondContact O-N 3.33Å; S606-G609 VanDerWaalsContact O-O 3.06Å; S606-G609 PolarHBondContact OG-N 2.87Å; S606-G609 PolarHBondContact OG-O 3Å
607	P	87.4	Confident	94.7	Very high	91 Å²	91	35.2 Å²	35.2	59%	0.591	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-25.8	175.8	-25.8	35.5	0	0	0	114.3
608	Q	88.6	Confident	94.7	Very high	112 Å²	112	37.7 Å²	37.7	52%	0.523	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-14.1	-179.9	-61.4	76	21.6	0	0	113.6	S606 L622 L631	S606-Q608 PolarHBondContact O-N 2.86Å; S606-Q608 VanDerWaalsContact O-N 3.1Å; Q608-L622 HydrophobicContact CB-CD2 3.91Å; Q608-L631 VanDerWaalsContact O-CD1 3.27Å; Q608-L631 WeakPolarHBondContact O-CD1 3.43Å
609	G	92.5	Very high	94.6	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144	-164.5	-174.6	0	0	0	0	0	113	S606 L622	S606-G609 WeakPolarHBondContact CA-O 3.4Å; S606-G609 WeakPolarHBondContact CB-O 3.4Å; S606-G609 PolarHBondContact N-O 3.25Å; S606-G609 PolarHBondContact O-N 3.33Å; S606-G609 VanDerWaalsContact O-O 3.06Å; S606-G609 PolarHBondContact OG-N 2.87Å; S606-G609 PolarHBondContact OG-O 3Å; G609-L622 VanDerWaalsContact C-CD1 3.48Å
610	L	96.2	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.3	-172.8	-170.7	69.9	0	0	0	110.8	A539 Y567 L576 M603 W605 I612 L623	A539-L610 HydrophobicContact CB-CD1 4.26Å; Y567-L610 HydrophobicContact CD1-CD2 3.94Å; Y567-L610 HydrophobicContact CD2-CD1 4.49Å; Y567-L610 HydrophobicContact CG-CD1 4.32Å; Y567-L610 HydrophobicContact CG-CD2 4.24Å; L576-L610 HydrophobicContact CD1-CD2 4.24Å; L576-L610 HydrophobicContact CD2-CD2 3.45Å; L576-L610 VanDerWaalsContact CD2-CD2 3.45Å; M603-L610 HydrophobicContact CG-CD1 3.54Å; M603-L610 HydrophobicContact CG-CD2 4.2Å; M603-L610 HydrophobicContact CG-CG 3.76Å; M603-L610 HydrophobicContact SD-CD1 3.75Å; M603-L610 HydrophobicContact SD-CD2 3.49Å; M603-L610 WeakPolarHBondContact SD-CD2 3.39Å; M603-L610 HydrophobicContact SD-CG 3.75Å; W605-L610 HydrophobicContact CE3-CB 4.09Å; W605-L610 HydrophobicContact CE3-CD1 3.64Å; W605-L610 HydrophobicContact CE3-CG 4.44Å; W605-L610 HydrophobicContact CZ3-CB 3.94Å; W605-L610 HydrophobicContact CZ3-CD1 4.2Å; L610-I612 HydrophobicContact CD2-CD1 4.29Å; L610-I612 HydrophobicContact CD2-CG1 4.48Å; L610-I612 HydrophobicContact CG-CG1 4.3Å; L610-L623 PolarHBondContact N-O 3.43Å; L610-L623 PolarHBondContact O-N 3.4Å
611	W	97.4	Very high	94.7	Very high	6 Å²	6	34.6 Å²	34.6	2%	0.023	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130	173.7	-76.8	99	0	0	0	110.4	M603 V604 L620 F621 L622 V634 I645 L654 P669	M603-W611 CarbonylContact C-O 3.53Å; M603-W611 WeakPolarHBondContact CA-O 3.46Å; M603-W611 WeakPolarHBondContact CG-O 3.45Å; V604-W611 HydrophobicContact CG1-CB 4.02Å; V604-W611 PolarHBondContact N-O 2.88Å; V604-W611 PolarHBondContact O-N 2.83Å; W611-L620 HydrophobicContact CE3-CB 4.02Å; W611-L620 HydrophobicContact CZ3-CB 4.06Å; W611-F621 CarbonylContact C-O 3.23Å; W611-F621 VanDerWaalsContact CA-O 3.29Å; W611-F621 WeakPolarHBondContact CA-O 3.46Å; W611-L622 HydrophobicContact CD2-CB 4.01Å; W611-L622 HydrophobicContact CD2-CD1 4.09Å; W611-L622 HydrophobicContact CE3-CB 3.95Å; W611-L622 HydrophobicContact CG-CD1 4.14Å; W611-L622 HydrophobicContact CH2-CB 3.8Å; W611-L622 HydrophobicContact CZ2-CB 3.85Å; W611-L622 HydrophobicContact CZ2-CD1 4.38Å; W611-L622 HydrophobicContact CZ2-CD2 4.04Å; W611-L622 HydrophobicContact CZ2-CG 4.31Å; W611-L622 HydrophobicContact CZ3-CB 3.85Å; W611-V634 HydrophobicContact CH2-CG2 4.01Å; W611-V634 HydrophobicContact CZ3-CG2 4.14Å; W611-I645 HydrophobicContact CB-CD1 4.11Å; W611-L654 HydrophobicContact CD2-CD1 3.79Å; W611-L654 HydrophobicContact CE3-CD1 4.23Å; W611-L654 HydrophobicContact CG-CD1 4.14Å; W611-L654 HydrophobicContact CG-CD2 4.38Å; W611-L654 HydrophobicContact CZ2-CD1 4.09Å; W611-P669 HydrophobicContact CZ2-CB 3.95Å
612	I	97.9	Very high	94.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.7	179.8	-60.3	176.5	0	0	0	109.2	P594 L595 A600 G602 M603 L610 L620 F621 L623	P594-I612 HydrophobicContact CB-CB 4.42Å; P594-I612 HydrophobicContact CB-CD1 4.3Å; P594-I612 HydrophobicContact CB-CG2 4.43Å; L595-I612 HydrophobicContact CD2-CD1 3.94Å; L595-I612 HydrophobicContact CG-CD1 4.47Å; A600-I612 HydrophobicContact CB-CG2 3.85Å; G602-I612 CarbonylContact O-C 3.6Å; G602-I612 WeakPolarHBondContact O-CA 3.47Å; M603-I612 HydrophobicContact CG-CG1 4.19Å; M603-I612 HydrophobicContact SD-CG1 4.29Å; L610-I612 HydrophobicContact CD2-CD1 4.29Å; L610-I612 HydrophobicContact CD2-CG1 4.48Å; L610-I612 HydrophobicContact CG-CG1 4.3Å; I612-L620 CarbonylContact O-C 3.52Å; I612-L620 WeakPolarHBondContact O-CA 3.47Å; I612-F621 PolarHBondContact N-O 3.03Å; I612-F621 PolarHBondContact O-N 3.02Å; I612-L623 HydrophobicContact CD1-CB 4.23Å; I612-L623 HydrophobicContact CD1-CD2 3.65Å
613	V	97.2	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.8	172.4	-174.3	0	0	0	0	109	A600 T601 G602 L620 P642 I645	A600-V613 VanDerWaalsContact CA-O 3.29Å; A600-V613 WeakPolarHBondContact CA-O 3.46Å; T601-V613 PolarHBondContact N-O 3.04Å; G602-V613 PolarHBondContact O-N 3.22Å; V613-L620 HydrophobicContact CB-CD2 4.29Å; V613-L620 HydrophobicContact CG1-CD2 4.09Å; V613-L620 HydrophobicContact CG2-CD2 3.76Å; V613-P642 HydrophobicContact CG1-CB 3.74Å; V613-P642 HydrophobicContact CG1-CG 3.95Å; V613-P642 WeakPolarHBondContact CG1-O 3.48Å; V613-I645 HydrophobicContact CG2-CB 3.55Å; V613-I645 HydrophobicContact CG2-CD1 4.2Å; V613-I645 HydrophobicContact CG2-CG1 4.46Å; V613-I645 HydrophobicContact CG2-CG2 3.59Å
614	N	96.7	Very high	94.7	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.9	167.2	-169.8	-48.8	0	0	0	109.3	P594 S596 A599 R616 A617 K618 Q619 F621	P594-N614 PolarHBondContact O-ND2 3.49Å; S596-N614 PolarHBondContact O-ND2 2.83Å; A599-N614 VanDerWaalsContact CB-OD1 3.24Å; A599-N614 WeakPolarHBondContact CB-OD1 3.34Å; A599-N614 WeakPolarHBondContact O-CA 3.34Å; N614-R616 VanDerWaalsContact C-N 3.31Å; N614-R616 PolarHBondContact O-N 3.45Å; N614-R616 PolarHBondContact OD1-N 3.34Å; N614-A617 HydrophobicContact CB-CB 3.96Å; N614-A617 PolarHBondContact O-N 3.34Å; N614-A617 PolarHBondContact OD1-N 3.04Å; N614-K618 PolarHBondContact O-N 3.27Å; N614-Q619 PolarHBondContact N-O 3.49Å; N614-Q619 PolarHBondContact O-N 3.1Å; N614-F621 HydrophobicContact CB-CD2 4.23Å; N614-F621 HydrophobicContact CB-CE2 3.9Å
615	W	94.7	Very high	94.5	Very high	71 Å²	71	34 Å²	34	27%	0.269	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-31.1	-171.5	73.1	-98.7	0	0	0	112.7	A599 K618 E641 P642	A599-W615 HydrophobicContact CB-CG 4.44Å; A599-W615 PolarHBondContact O-N 2.94Å; A599-W615 VanDerWaalsContact O-N 3.12Å; W615-K618 WeakPolarHBondContact O-CG 3.32Å; W615-K618 PolarHBondContact O-N 2.91Å; W615-E641 HydrophobicContact CE3-CG 4.49Å; W615-P642 WeakPolarHBondContact CB-O 3.19Å
616	R	94.5	Very high	94.3	Very high	150 Å²	150	33 Å²	33	57%	0.566	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-39.2	178.8	177.9	165	-95.7	102.3	3	111.2	A599 N614 K618	A599-R616 HydrophobicContact CB-CB 3.47Å; A599-R616 VanDerWaalsContact CB-CB 3.47Å; N614-R616 VanDerWaalsContact C-N 3.31Å; N614-R616 PolarHBondContact O-N 3.45Å; N614-R616 PolarHBondContact OD1-N 3.34Å; R616-K618 PolarHBondContact O-N 3.38Å
617	A	94.3	Very high	94.2	Very high	43 Å²	43	36.1 Å²	36.1	36%	0.355	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.9	170.9	0	0	0	0	0	112.6	N614 Q619 F621	N614-A617 HydrophobicContact CB-CB 3.96Å; N614-A617 PolarHBondContact O-N 3.34Å; N614-A617 PolarHBondContact OD1-N 3.04Å; A617-Q619 HydrophobicContact CB-CB 4.25Å; A617-Q619 WeakPolarHBondContact O-CG 3.43Å; A617-Q619 PolarHBondContact O-N 3.16Å; A617-F621 HydrophobicContact CB-CE2 4.24Å; A617-F621 HydrophobicContact CB-CZ 4.47Å
618	K	94.7	Very high	94.4	Very high	98 Å²	98	35.7 Å²	35.7	43%	0.426	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	40.8	-174.2	-57.8	177.3	177.9	-179.7	0	111.9	N614 W615 R616 F639	N614-K618 PolarHBondContact O-N 3.27Å; W615-K618 WeakPolarHBondContact O-CG 3.32Å; W615-K618 PolarHBondContact O-N 2.91Å; R616-K618 PolarHBondContact O-N 3.38Å; K618-F639 HydrophobicContact CB-CB 4.25Å; K618-F639 WeakPolarHBondContact O-CD2 3.3Å
619	Q	94.5	Very high	94.6	Very high	52 Å²	52	36.2 Å²	36.2	24%	0.243	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.7	-172.2	-78	178.9	-21.2	0	0	111.6	N614 A617 F621 V634	N614-Q619 PolarHBondContact N-O 3.49Å; N614-Q619 PolarHBondContact O-N 3.1Å; A617-Q619 HydrophobicContact CB-CB 4.25Å; A617-Q619 WeakPolarHBondContact O-CG 3.43Å; A617-Q619 PolarHBondContact O-N 3.16Å; Q619-F621 HydrophobicContact CB-CD2 4.39Å; Q619-F621 HydrophobicContact CB-CE2 3.76Å; Q619-F621 HydrophobicContact CB-CZ 3.91Å; Q619-V634 WeakPolarHBondContact CA-O 3.35Å
620	L	96.3	Very high	94.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130	167.8	-42.5	177.5	0	0	0	107.2	W611 I612 V613 S633 V634 F639 I645 I656	W611-L620 HydrophobicContact CE3-CB 4.02Å; W611-L620 HydrophobicContact CZ3-CB 4.06Å; I612-L620 CarbonylContact O-C 3.52Å; I612-L620 WeakPolarHBondContact O-CA 3.47Å; V613-L620 HydrophobicContact CB-CD2 4.29Å; V613-L620 HydrophobicContact CG1-CD2 4.09Å; V613-L620 HydrophobicContact CG2-CD2 3.76Å; L620-S633 CarbonylContact O-C 3.59Å; L620-S633 WeakPolarHBondContact O-CA 3.31Å; L620-V634 HydrophobicContact CB-CB 4.21Å; L620-V634 HydrophobicContact CD1-CB 4.21Å; L620-V634 HydrophobicContact CD1-CG1 4.43Å; L620-V634 HydrophobicContact CG-CB 4.39Å; L620-V634 PolarHBondContact N-O 3.45Å; L620-V634 PolarHBondContact O-N 3.44Å; L620-F639 HydrophobicContact CD1-CE2 4.43Å; L620-F639 HydrophobicContact CD1-CZ 4.2Å; L620-F639 HydrophobicContact CG-CE2 4.2Å; L620-F639 HydrophobicContact CG-CZ 4.37Å; L620-I645 HydrophobicContact CD1-CD1 4.42Å; L620-I645 HydrophobicContact CD2-CD1 4.39Å; L620-I656 HydrophobicContact CD1-CD1 3.95Å; L620-I656 HydrophobicContact CD1-CG1 3.84Å; L620-I656 HydrophobicContact CD2-CG1 4.15Å; L620-I656 HydrophobicContact CD2-CG2 4.36Å
621	F	97	Very high	94.6	Very high	6 Å²	6	43 Å²	43	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.8	177.4	-64.7	-84	0	0	0	109.8	E593 P594 W611 I612 N614 A617 Q619 V630	E593-F621 HydrophobicContact CG-CZ 4.49Å; P594-F621 HydrophobicContact CB-CB 3.73Å; P594-F621 HydrophobicContact CB-CD2 3.93Å; P594-F621 HydrophobicContact CB-CG 3.85Å; P594-F621 HydrophobicContact CG-CB 3.7Å; P594-F621 HydrophobicContact CG-CD1 4.16Å; P594-F621 HydrophobicContact CG-CD2 4.34Å; P594-F621 HydrophobicContact CG-CG 3.83Å; W611-F621 CarbonylContact C-O 3.23Å; W611-F621 VanDerWaalsContact CA-O 3.29Å; W611-F621 WeakPolarHBondContact CA-O 3.46Å; I612-F621 PolarHBondContact N-O 3.03Å; I612-F621 PolarHBondContact O-N 3.02Å; N614-F621 HydrophobicContact CB-CD2 4.23Å; N614-F621 HydrophobicContact CB-CE2 3.9Å; A617-F621 HydrophobicContact CB-CE2 4.24Å; A617-F621 HydrophobicContact CB-CZ 4.47Å; Q619-F621 HydrophobicContact CB-CD2 4.39Å; Q619-F621 HydrophobicContact CB-CE2 3.76Å; Q619-F621 HydrophobicContact CB-CZ 3.91Å; F621-V630 HydrophobicContact CD1-CG1 3.89Å; F621-V630 HydrophobicContact CD1-CG2 4.48Å
622	L	96.4	Very high	94.4	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.068	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.2	166.6	179.4	60	0	0	0	108.3	Q608 G609 W611 V630 L631 S632	Q608-L622 HydrophobicContact CB-CD2 3.91Å; G609-L622 VanDerWaalsContact C-CD1 3.48Å; W611-L622 HydrophobicContact CD2-CB 4.01Å; W611-L622 HydrophobicContact CD2-CD1 4.09Å; W611-L622 HydrophobicContact CE3-CB 3.95Å; W611-L622 HydrophobicContact CG-CD1 4.14Å; W611-L622 HydrophobicContact CH2-CB 3.8Å; W611-L622 HydrophobicContact CZ2-CB 3.85Å; W611-L622 HydrophobicContact CZ2-CD1 4.38Å; W611-L622 HydrophobicContact CZ2-CD2 4.04Å; W611-L622 HydrophobicContact CZ2-CG 4.31Å; W611-L622 HydrophobicContact CZ3-CB 3.85Å; L622-V630 CarbonylContact O-C 3.56Å; L622-V630 WeakPolarHBondContact O-CA 3.37Å; L622-L631 HydrophobicContact CB-CB 4.43Å; L622-L631 HydrophobicContact CD2-CB 4.01Å; L622-L631 HydrophobicContact CD2-CD1 4.29Å; L622-L631 HydrophobicContact CG-CB 4.02Å; L622-L631 HydrophobicContact CG-CD1 4.23Å; L622-L631 PolarHBondContact O-N 2.82Å; L622-S632 PolarHBondContact N-O 2.97Å
623	L	96.1	Very high	94.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.7	-178.1	178.1	67.9	0	0	0	110.2	L576 V590 P594 L610 I612 P625	L576-L623 HydrophobicContact CD2-CD2 4.31Å; V590-L623 HydrophobicContact CG1-CD2 4.01Å; P594-L623 HydrophobicContact CG-CD1 4.45Å; L610-L623 PolarHBondContact N-O 3.43Å; L610-L623 PolarHBondContact O-N 3.4Å; I612-L623 HydrophobicContact CD1-CB 4.23Å; I612-L623 HydrophobicContact CD1-CD2 3.65Å; L623-P625 WeakPolarHBondContact O-CD 3.33Å
624	D	93.7	Very high	94.1	Very high	29 Å²	29	48 Å²	48	16%	0.155	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108.9	159.8	175.8	5.4	0	0	0	109.2	P544 A626 T627 E628 Q629 L631	P544-D624 WeakPolarHBondContact CG-OD1 3.46Å; D624-A626 PolarHBondContact O-N 3.21Å; D624-A626 PolarHBondContact OD1-N 3.5Å; D624-T627 WeakPolarHBondContact CB-OG1 3.3Å; D624-T627 PolarHBondContact O-N 2.97Å; D624-T627 WeakPolarHBondContact OD2-CB 3.31Å; D624-T627 VanDerWaalsContact OD2-CG2 3.24Å; D624-T627 WeakPolarHBondContact OD2-CG2 3.36Å; D624-T627 PolarHBondContact OD2-OG1 2.83Å; D624-E628 VanDerWaalsContact O-CA 3.3Å; D624-E628 WeakPolarHBondContact O-CA 3.31Å; D624-E628 PolarHBondContact O-N 3.12Å; D624-Q629 PolarHBondContact N-O 3.3Å; D624-L631 HydrophobicContact CB-CD1 4.06Å; D624-L631 HydrophobicContact CB-CD2 4.16Å; D624-L631 HydrophobicContact CB-CG 4.11Å
625	P	91.5	Very high	93.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.1	-178	28.6	-36.7	0	0	0	113.9	Y543 P544 Y567 V590 W605 L623	Y543-P625 HydrophobicContact CE2-CB 4.41Å; P544-P625 HydrophobicContact CG-CG 3.98Å; Y567-P625 HydrophobicContact CE1-CB 3.94Å; Y567-P625 HydrophobicContact CE1-CG 3.84Å; V590-P625 HydrophobicContact CG2-CB 4.41Å; V590-P625 WeakPolarHBondContact CG2-O 3.31Å; W605-P625 HydrophobicContact CH2-CG 4.13Å; W605-P625 HydrophobicContact CZ3-CG 4.02Å; L623-P625 WeakPolarHBondContact O-CD 3.33Å
626	A	89.8	Confident	93.7	Very high	11 Å²	11	49 Å²	49	9%	0.091	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-28.7	-179.1	0	0	0	0	0	113.2	Y543 P544 D624	Y543-A626 HydrophobicContact CE1-CB 4.16Å; P544-A626 HydrophobicContact CB-CB 3.96Å; P544-A626 HydrophobicContact CG-CB 4.36Å; D624-A626 PolarHBondContact O-N 3.21Å; D624-A626 PolarHBondContact OD1-N 3.5Å
627	T	90.3	Very high	93.4	Very high	66 Å²	66	47.6 Å²	47.6	41%	0.405	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-9.4	178.7	61.4	0	0	0	0	113.4	D624 Q629	D624-T627 WeakPolarHBondContact CB-OG1 3.3Å; D624-T627 PolarHBondContact O-N 2.97Å; D624-T627 WeakPolarHBondContact OD2-CB 3.31Å; D624-T627 VanDerWaalsContact OD2-CG2 3.24Å; D624-T627 WeakPolarHBondContact OD2-CG2 3.36Å; D624-T627 PolarHBondContact OD2-OG1 2.83Å; T627-Q629 PolarHBondContact O-N 3.33Å
628	E	91.8	Very high	93.3	Very high	83 Å²	83	49.1 Å²	49.1	39%	0.388	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	18.8	-173.5	-48.3	-170	-174.2	0	0	113.4	V590 D624	V590-E628 HydrophobicContact CG1-CB 4.28Å; V590-E628 HydrophobicContact CG1-CG 3.85Å; V590-E628 HydrophobicContact CG2-CG 4.39Å; D624-E628 VanDerWaalsContact O-CA 3.3Å; D624-E628 WeakPolarHBondContact O-CA 3.31Å; D624-E628 PolarHBondContact O-N 3.12Å
629	Q	93.3	Very high	93.2	Very high	123 Å²	123	44.6 Å²	44.6	58%	0.575	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	141.2	-178.8	-63.8	-58.9	-46.4	0	0	112	D624 T627 L631	D624-Q629 PolarHBondContact N-O 3.3Å; T627-Q629 PolarHBondContact O-N 3.33Å; Q629-L631 PolarHBondContact O-N 3.35Å
630	V	95.1	Very high	93.1	Very high	54 Å²	54	47.6 Å²	47.6	33%	0.327	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.1	169.4	-179.7	0	0	0	0	108.5	P594 F621 L622 S632	P594-V630 HydrophobicContact CG-CG2 3.55Å; F621-V630 HydrophobicContact CD1-CG1 3.89Å; F621-V630 HydrophobicContact CD1-CG2 4.48Å; L622-V630 CarbonylContact O-C 3.56Å; L622-V630 WeakPolarHBondContact O-CA 3.37Å; V630-S632 WeakPolarHBondContact CG1-O 3.28Å
631	L	93.3	Very high	92.9	Very high	92 Å²	92	52 Å²	52	48%	0.482	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-33.5	-179.2	-56.8	-178	0	0	0	112.6	Q608 L622 D624 Q629	Q608-L631 VanDerWaalsContact O-CD1 3.27Å; Q608-L631 WeakPolarHBondContact O-CD1 3.43Å; L622-L631 HydrophobicContact CB-CB 4.43Å; L622-L631 HydrophobicContact CD2-CB 4.01Å; L622-L631 HydrophobicContact CD2-CD1 4.29Å; L622-L631 HydrophobicContact CG-CB 4.02Å; L622-L631 HydrophobicContact CG-CD1 4.23Å; L622-L631 PolarHBondContact O-N 2.82Å; D624-L631 HydrophobicContact CB-CD1 4.06Å; D624-L631 HydrophobicContact CB-CD2 4.16Å; D624-L631 HydrophobicContact CB-CG 4.11Å; Q629-L631 PolarHBondContact O-N 3.35Å
632	S	94.1	Very high	92.8	Very high	43 Å²	43	51.7 Å²	51.7	30%	0.301	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	159	-179.3	-177.1	0	0	0	0	110.6	L622 V630	L622-S632 PolarHBondContact N-O 2.97Å; V630-S632 WeakPolarHBondContact CG1-O 3.28Å
633	S	93.4	Very high	92.7	Very high	63 Å²	63	52.3 Å²	52.3	44%	0.441	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.8	173.8	65.3	0	0	0	0	111.1	L620	L620-S633 CarbonylContact O-C 3.59Å; L620-S633 WeakPolarHBondContact O-CA 3.31Å
634	V	93.9	Very high	92.6	Very high	3 Å²	3	53 Å²	53	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.2	175	-178.8	0	0	0	0	109.3	W611 Q619 L620 V674	W611-V634 HydrophobicContact CH2-CG2 4.01Å; W611-V634 HydrophobicContact CZ3-CG2 4.14Å; Q619-V634 WeakPolarHBondContact CA-O 3.35Å; L620-V634 HydrophobicContact CB-CB 4.21Å; L620-V634 HydrophobicContact CD1-CB 4.21Å; L620-V634 HydrophobicContact CD1-CG1 4.43Å; L620-V634 HydrophobicContact CG-CB 4.39Å; L620-V634 PolarHBondContact N-O 3.45Å; L620-V634 PolarHBondContact O-N 3.44Å; V634-V674 HydrophobicContact CG1-CG2 4.01Å
635	S	91.4	Very high	92.7	Very high	78 Å²	78	51.9 Å²	51.9	55%	0.545	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.1	173.2	67.2	0	0	0	0	110.2
636	S	91.4	Very high	93	Very high	18 Å²	18	52.2 Å²	52.2	13%	0.126	30%	0.295	C	S	.	.			trans	-138.5	139	173.5	175.7	0	0	0	0	110.3	L638 F639	S636-L638 PolarHBondContact O-N 2.79Å; S636-L638 VanDerWaalsContact O-N 3.16Å; S636-L638 WeakPolarHBondContact OG-CB 3.47Å; S636-L638 PolarHBondContact OG-N 3.2Å; S636-F639 PolarHBondContact O-N 2.91Å; S636-F639 VanDerWaalsContact O-N 3.14Å
637	P	89.7	Confident	93.3	Very high	121 Å²	121	54.8 Å²	54.8	79%	0.786	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.7	174	28.9	-35.9	0	0	0	112.7	F639	P637-F639 VanDerWaalsContact C-N 3.32Å
638	L	90.7	Very high	93.5	Very high	76 Å²	76	51.9 Å²	51.9	40%	0.398	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.3	176.2	-58	178.8	0	0	0	112.5	S636 K640 F665	S636-L638 PolarHBondContact O-N 2.79Å; S636-L638 VanDerWaalsContact O-N 3.16Å; S636-L638 WeakPolarHBondContact OG-CB 3.47Å; S636-L638 PolarHBondContact OG-N 3.2Å; L638-K640 PolarHBondContact O-N 3.36Å; L638-F665 HydrophobicContact CB-CE1 3.73Å; L638-F665 HydrophobicContact CB-CZ 3.76Å; L638-F665 HydrophobicContact CD1-CD1 4.45Å; L638-F665 HydrophobicContact CD1-CE1 3.98Å; L638-F665 HydrophobicContact CG-CE1 4.46Å
639	F	93.7	Very high	93.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	28%	0.281	C	S	.	.			trans	-67.9	128.9	-179.3	-65.2	-33.3	0	0	0	111.4	K618 L620 S636 P637 P642 I656 D658 F665 V674	K618-F639 HydrophobicContact CB-CB 4.25Å; K618-F639 WeakPolarHBondContact O-CD2 3.3Å; L620-F639 HydrophobicContact CD1-CE2 4.43Å; L620-F639 HydrophobicContact CD1-CZ 4.2Å; L620-F639 HydrophobicContact CG-CE2 4.2Å; L620-F639 HydrophobicContact CG-CZ 4.37Å; S636-F639 PolarHBondContact O-N 2.91Å; S636-F639 VanDerWaalsContact O-N 3.14Å; P637-F639 VanDerWaalsContact C-N 3.32Å; F639-P642 HydrophobicContact CB-CG 4.14Å; F639-P642 HydrophobicContact CD1-CB 4.36Å; F639-P642 HydrophobicContact CG-CB 4.49Å; F639-P642 HydrophobicContact CG-CG 4.26Å; F639-I656 HydrophobicContact CE1-CB 4.49Å; F639-I656 HydrophobicContact CE1-CG2 4.26Å; F639-D658 WeakPolarHBondContact CA-OD2 3.45Å; F639-F665 AromaticContact CD1-CD2 3.78Å; F639-F665 HydrophobicContact CD1-CD2 3.78Å; F639-F665 AromaticContact CD1-CE2 3.83Å; F639-F665 HydrophobicContact CD1-CE2 3.83Å; F639-F665 HydrophobicContact CE1-CB 4.31Å; F639-F665 AromaticContact CE1-CD2 3.67Å; F639-F665 HydrophobicContact CE1-CD2 3.67Å; F639-F665 HydrophobicContact CE1-CE2 4.2Å; F639-F665 HydrophobicContact CE1-CG 4.11Å; F639-V674 HydrophobicContact CE1-CG1 3.91Å; F639-V674 HydrophobicContact CZ-CG1 3.96Å; F639-V674 HydrophobicContact CZ-CG2 4.15Å
640	K	92.6	Very high	93.2	Very high	116 Å²	116	50 Å²	50	50%	0.504	28%	0.283	S	S	.	.	S	Bend	trans	-111	-61.2	175	-62.7	-58.8	-177.2	-169.4	0	110	L638 D658 A661	L638-K640 PolarHBondContact O-N 3.36Å; K640-D658 PolarHBondContact N-OD2 3.42Å; K640-A661 HydrophobicContact CB-CB 4.34Å; K640-A661 HydrophobicContact CG-CB 4.13Å
641	E	92.6	Very high	93	Very high	92 Å²	92	51 Å²	51	43%	0.43	29%	0.289	S	S	.	.			trans	-142.7	71.8	176.4	-58.8	178.8	170.7	0	0	109	W615 T643 D658 N659	W615-E641 HydrophobicContact CE3-CG 4.49Å; E641-T643 WeakPolarHBondContact O-CG2 3.35Å; E641-T643 PolarHBondContact O-N 3.32Å; E641-D658 WeakPolarHBondContact CA-OD1 3.32Å; E641-D658 PolarHBondContact N-OD1 2.65Å; E641-D658 PolarHBondContact N-OD2 3.43Å; E641-D658 WeakPolarHBondContact O-CA 3.48Å; E641-N659 PolarHBondContact O-N 2.82Å; E641-N659 VanDerWaalsContact O-N 3.09Å
642	P	94.8	Very high	93	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	120.7	176.6	29	-33.5	0	0	0	108.2	V613 W615 F639 I656	V613-P642 HydrophobicContact CG1-CB 3.74Å; V613-P642 HydrophobicContact CG1-CG 3.95Å; V613-P642 WeakPolarHBondContact CG1-O 3.48Å; W615-P642 WeakPolarHBondContact CB-O 3.19Å; F639-P642 HydrophobicContact CB-CG 4.14Å; F639-P642 HydrophobicContact CD1-CB 4.36Å; F639-P642 HydrophobicContact CG-CB 4.49Å; F639-P642 HydrophobicContact CG-CG 4.26Å; P642-I656 HydrophobicContact CB-CG2 3.67Å
643	T	92.9	Very high	93	Very high	26 Å²	26	53.6 Å²	53.6	16%	0.16	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-31.5	-168.2	47.1	0	0	0	0	114.1	T601 G602 E641 A657 N659	T601-T643 CarbonylContact C-O 3.54Å; T601-T643 VanDerWaalsContact C-O 3.23Å; T601-T643 WeakPolarHBondContact CB-O 3.41Å; T601-T643 WeakPolarHBondContact OG1-CA 3.45Å; T601-T643 PolarHBondContact OG1-O 2.78Å; G602-T643 WeakPolarHBondContact CA-O 3.48Å; G602-T643 PolarHBondContact N-O 2.93Å; E641-T643 WeakPolarHBondContact O-CG2 3.35Å; E641-T643 PolarHBondContact O-N 3.32Å; T643-A657 PolarHBondContact N-O 2.63Å; T643-A657 PolarHBondContact OG1-O 2.91Å; T643-A657 VanDerWaalsContact OG1-O 3.13Å; T643-N659 HydrophobicContact CG2-CB 4.23Å; T643-N659 PolarHBondContact OG1-ND2 2.95Å
644	S	94.2	Very high	93.1	Very high	16 Å²	16	50.6 Å²	50.6	11%	0.112	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.5	-175.6	-176.9	0	0	0	0	109.8	I656 A657 L721	S644-I656 WeakPolarHBondContact O-CA 3.44Å; S644-A657 PolarHBondContact N-O 3.28Å; S644-A657 PolarHBondContact O-N 3.05Å; S644-L721 VanDerWaalsContact C-CD2 3.44Å; S644-L721 WeakPolarHBondContact O-CD2 3.3Å; S644-L721 WeakPolarHBondContact OG-CD2 3.5Å
645	I	96.8	Very high	93.3	Very high	6 Å²	6	51 Å²	51	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.3	-176	-172.4	167.5	0	0	0	110	V604 W611 V613 L620 L654 F655 I656	V604-I645 HydrophobicContact CB-CG2 4.26Å; V604-I645 HydrophobicContact CG1-CD1 4.28Å; V604-I645 HydrophobicContact CG1-CG1 3.97Å; V604-I645 HydrophobicContact CG1-CG2 3.93Å; W611-I645 HydrophobicContact CB-CD1 4.11Å; V613-I645 HydrophobicContact CG2-CB 3.55Å; V613-I645 HydrophobicContact CG2-CD1 4.2Å; V613-I645 HydrophobicContact CG2-CG1 4.46Å; V613-I645 HydrophobicContact CG2-CG2 3.59Å; L620-I645 HydrophobicContact CD1-CD1 4.42Å; L620-I645 HydrophobicContact CD2-CD1 4.39Å; I645-L654 HydrophobicContact CD1-CB 4.28Å; I645-L654 HydrophobicContact CD1-CD1 4.24Å; I645-L654 HydrophobicContact CD1-CD2 4.32Å; I645-L654 HydrophobicContact CG1-CB 4.48Å; I645-F655 CarbonylContact C-O 3.52Å; I645-F655 VanDerWaalsContact CA-O 3.23Å; I645-F655 WeakPolarHBondContact CA-O 3.24Å; I645-I656 HydrophobicContact CD1-CG1 4.33Å; I645-I656 HydrophobicContact CG1-CG1 4.28Å
646	A	96.8	Very high	93.5	Very high	7 Å²	7	47.3 Å²	47.3	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.2	166.9	0	0	0	0	0	110.5	L654 F655 L721 V723	A646-L654 CarbonylContact O-C 3.56Å; A646-L654 WeakPolarHBondContact O-CA 3.4Å; A646-F655 PolarHBondContact N-O 3.19Å; A646-F655 PolarHBondContact O-N 3.16Å; A646-L721 HydrophobicContact CB-CD1 3.23Å; A646-L721 HydrophobicContact CB-CG 4.01Å; A646-V723 HydrophobicContact CB-CG2 4.08Å
647	R	95.6	Very high	93.7	Very high	66 Å²	66	46.4 Å²	46.4	25%	0.249	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.7	177	-175.8	-177.2	65.3	81.8	7.2	109.1	V604 W605 P649 N652 L654	V604-R647 HydrophobicContact CG1-CB 4.29Å; V604-R647 HydrophobicContact CG2-CB 3.96Å; W605-R647 PolarHBondContact O-NE 3.36Å; W605-R647 VanDerWaalsContact O-NE 3.16Å; R647-P649 WeakPolarHBondContact O-CD 3.49Å; R647-N652 PolarHBondContact NH1-OD1 2.86Å; R647-L654 HydrophobicContact CB-CD2 4.08Å; R647-L654 HydrophobicContact CG-CD2 4.21Å
648	C	94.5	Very high	93.9	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.034	20%	0.202	C	C	.	.			trans	-71.2	120.8	168.6	-174.4	0	0	0	0	109.6	L650 T651 N652 R653 F655 V723	C648-L650 PolarHBondContact O-N 3.29Å; C648-T651 VanDerWaalsContact CB-OG1 3.28Å; C648-T651 WeakPolarHBondContact CB-OG1 3.39Å; C648-T651 PolarHBondContact SG-OG1 2.98Å; C648-N652 VanDerWaalsContact O-CA 3.31Å; C648-N652 WeakPolarHBondContact O-CA 3.47Å; C648-N652 PolarHBondContact O-N 3.38Å; C648-R653 PolarHBondContact N-O 2.83Å; C648-F655 HydrophobicContact CB-CE2 3.99Å; C648-V723 HydrophobicContact CB-CG1 4.33Å
649	P	90	Very high	93.9	Very high	50 Å²	50	39 Å²	39	33%	0.325	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.4	178.5	25	-32.7	0	0	0	112.9	R647	R647-P649 WeakPolarHBondContact O-CD 3.49Å
650	L	89.5	Confident	93.7	Very high	116 Å²	116	40.8 Å²	40.8	61%	0.607	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-40.1	-178	-63.7	175	0	0	0	113.9	C648 D725	C648-L650 PolarHBondContact O-N 3.29Å; L650-D725 VanDerWaalsContact CD1-O 3.31Å; L650-D725 WeakPolarHBondContact CD1-O 3.48Å; L650-D725 WeakPolarHBondContact CD2-O 3.42Å; L650-D725 VanDerWaalsContact CG-O 3.31Å; L650-D725 WeakPolarHBondContact CG-O 3.28Å
651	T	91.6	Very high	93.5	Very high	75 Å²	75	36.4 Å²	36.4	46%	0.46	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-7.2	-170.2	63	0	0	0	0	113.8	C648 R653	C648-T651 VanDerWaalsContact CB-OG1 3.28Å; C648-T651 WeakPolarHBondContact CB-OG1 3.39Å; C648-T651 PolarHBondContact SG-OG1 2.98Å; T651-R653 PolarHBondContact O-N 3.24Å; T651-R653 PolarHBondContact OG1-N 3.28Å
652	N	92.1	Very high	93.3	Very high	67 Å²	67	32.2 Å²	32.2	36%	0.358	18%	0.179	S	C	.	.			trans	57.7	3.7	-170.4	-65.4	-46.1	0	0	0	115.8	R647 C648	R647-N652 PolarHBondContact NH1-OD1 2.86Å; C648-N652 VanDerWaalsContact O-CA 3.31Å; C648-N652 WeakPolarHBondContact O-CA 3.47Å; C648-N652 PolarHBondContact O-N 3.38Å
653	R	94.7	Very high	93.1	Very high	122 Å²	122	32.5 Å²	32.5	46%	0.46	18%	0.181	S	C	.	.			trans	-64	145.1	172.7	-65.2	-179.6	179.3	-179.6	1.2	110.7	C648 T651 V666	C648-R653 PolarHBondContact N-O 2.83Å; T651-R653 PolarHBondContact O-N 3.24Å; T651-R653 PolarHBondContact OG1-N 3.28Å; R653-V666 HydrophobicContact CB-CG2 3.99Å
654	L	96.5	Very high	93.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132	178.2	-57.6	173.2	0	0	0	109.2	V604 W611 I645 A646 R647 I656 V666 C667 P669	V604-L654 HydrophobicContact CG1-CD2 4.4Å; W611-L654 HydrophobicContact CD2-CD1 3.79Å; W611-L654 HydrophobicContact CE3-CD1 4.23Å; W611-L654 HydrophobicContact CG-CD1 4.14Å; W611-L654 HydrophobicContact CG-CD2 4.38Å; W611-L654 HydrophobicContact CZ2-CD1 4.09Å; I645-L654 HydrophobicContact CD1-CB 4.28Å; I645-L654 HydrophobicContact CD1-CD1 4.24Å; I645-L654 HydrophobicContact CD1-CD2 4.32Å; I645-L654 HydrophobicContact CG1-CB 4.48Å; A646-L654 CarbonylContact O-C 3.56Å; A646-L654 WeakPolarHBondContact O-CA 3.4Å; R647-L654 HydrophobicContact CB-CD2 4.08Å; R647-L654 HydrophobicContact CG-CD2 4.21Å; L654-I656 HydrophobicContact CB-CD1 4.16Å; L654-V666 CarbonylContact O-C 3.59Å; L654-V666 WeakPolarHBondContact O-CA 3.48Å; L654-C667 HydrophobicContact CB-CB 4.31Å; L654-C667 PolarHBondContact N-O 2.91Å; L654-C667 PolarHBondContact O-N 3.34Å; L654-P669 HydrophobicContact CD1-CB 4.33Å
655	F	96.8	Very high	93.3	Very high	11 Å²	11	30.7 Å²	30.7	5%	0.048	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.1	170.2	-68.4	-80.9	0	0	0	109.4	I645 A646 C648 V664 F665 V666 F677 L721 V723 L729	I645-F655 CarbonylContact C-O 3.52Å; I645-F655 VanDerWaalsContact CA-O 3.23Å; I645-F655 WeakPolarHBondContact CA-O 3.24Å; A646-F655 PolarHBondContact N-O 3.19Å; A646-F655 PolarHBondContact O-N 3.16Å; C648-F655 HydrophobicContact CB-CE2 3.99Å; F655-V664 HydrophobicContact CB-CG1 4.17Å; F655-V664 HydrophobicContact CD1-CG1 4.33Å; F655-F665 CarbonylContact C-O 3.48Å; F655-F665 VanDerWaalsContact CA-O 3.28Å; F655-F665 WeakPolarHBondContact CA-O 3.35Å; F655-V666 HydrophobicContact CD1-CB 4.02Å; F655-V666 HydrophobicContact CD1-CG2 4.16Å; F655-V666 HydrophobicContact CE1-CB 3.89Å; F655-V666 HydrophobicContact CE1-CG2 3.8Å; F655-V666 HydrophobicContact CZ-CG2 4.22Å; F655-F677 HydrophobicContact CD1-CB 4.45Å; F655-F677 AromaticContact CD1-CD1 3.83Å; F655-F677 HydrophobicContact CD1-CD1 3.83Å; F655-F677 HydrophobicContact CD1-CE1 4.23Å; F655-F677 HydrophobicContact CD1-CG 4.07Å; F655-F677 HydrophobicContact CE1-CB 4.35Å; F655-F677 AromaticContact CE1-CD1 3.49Å; F655-F677 HydrophobicContact CE1-CD1 3.49Å; F655-F677 VanDerWaalsContact CE1-CD1 3.49Å; F655-F677 AromaticContact CE1-CD2 3.78Å; F655-F677 HydrophobicContact CE1-CD2 3.78Å; F655-F677 AromaticContact CE1-CE1 3.58Å; F655-F677 HydrophobicContact CE1-CE1 3.58Å; F655-F677 AromaticContact CE1-CE2 3.85Å; F655-F677 HydrophobicContact CE1-CE2 3.85Å; F655-F677 AromaticContact CE1-CG 3.6Å; F655-F677 HydrophobicContact CE1-CG 3.6Å; F655-F677 AromaticContact CE1-CZ 3.75Å; F655-F677 HydrophobicContact CE1-CZ 3.75Å; F655-F677 HydrophobicContact CZ-CE1 4.26Å; F655-F677 HydrophobicContact CZ-CE2 4.33Å; F655-F677 HydrophobicContact CZ-CZ 4.13Å; F655-L721 HydrophobicContact CB-CD1 3.93Å; F655-V723 HydrophobicContact CD2-CG2 3.69Å; F655-V723 HydrophobicContact CE2-CG2 4.08Å; F655-L729 HydrophobicContact CB-CD1 4.08Å; F655-L729 HydrophobicContact CD1-CD2 4.16Å; F655-L729 HydrophobicContact CD2-CD1 4.29Å; F655-L729 HydrophobicContact CG-CD1 4.06Å; F655-L729 HydrophobicContact CG-CD2 4.48Å
656	I	96.3	Very high	93.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.5	-173.8	-54.7	92.4	0	0	0	108.9	L620 F639 P642 S644 I645 L654 V664 F665 C667	L620-I656 HydrophobicContact CD1-CD1 3.95Å; L620-I656 HydrophobicContact CD1-CG1 3.84Å; L620-I656 HydrophobicContact CD2-CG1 4.15Å; L620-I656 HydrophobicContact CD2-CG2 4.36Å; F639-I656 HydrophobicContact CE1-CB 4.49Å; F639-I656 HydrophobicContact CE1-CG2 4.26Å; P642-I656 HydrophobicContact CB-CG2 3.67Å; S644-I656 WeakPolarHBondContact O-CA 3.44Å; I645-I656 HydrophobicContact CD1-CG1 4.33Å; I645-I656 HydrophobicContact CG1-CG1 4.28Å; L654-I656 HydrophobicContact CB-CD1 4.16Å; I656-V664 CarbonylContact O-C 3.55Å; I656-V664 VanDerWaalsContact O-CA 3.3Å; I656-V664 WeakPolarHBondContact O-CA 3.36Å; I656-F665 HydrophobicContact CB-CB 4.41Å; I656-F665 PolarHBondContact N-O 3.05Å; I656-F665 PolarHBondContact O-N 2.99Å; I656-C667 HydrophobicContact CD1-CB 3.71Å
657	A	94.3	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.9	170.7	0	0	0	0	0	110	T643 S644 V664 I718 L721	T643-A657 PolarHBondContact N-O 2.63Å; T643-A657 PolarHBondContact OG1-O 2.91Å; T643-A657 VanDerWaalsContact OG1-O 3.13Å; S644-A657 PolarHBondContact N-O 3.28Å; S644-A657 PolarHBondContact O-N 3.05Å; A657-V664 HydrophobicContact CB-CG2 4.47Å; A657-I718 HydrophobicContact CB-CB 4.01Å; A657-I718 HydrophobicContact CB-CD1 3.72Å; A657-I718 HydrophobicContact CB-CG1 4.48Å; A657-I718 HydrophobicContact CB-CG2 3.61Å; A657-L721 HydrophobicContact CB-CD2 3.39Å
658	D	94.1	Very high	92.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	106.9	177.3	-170	-42.2	0	0	0	109.3	F639 K640 E641 G660 A661 G662 C663 F665	F639-D658 WeakPolarHBondContact CA-OD2 3.45Å; K640-D658 PolarHBondContact N-OD2 3.42Å; E641-D658 WeakPolarHBondContact CA-OD1 3.32Å; E641-D658 PolarHBondContact N-OD1 2.65Å; E641-D658 PolarHBondContact N-OD2 3.43Å; E641-D658 WeakPolarHBondContact O-CA 3.48Å; D658-G660 VanDerWaalsContact C-N 3.31Å; D658-G660 PolarHBondContact OD1-N 3.2Å; D658-A661 HydrophobicContact CB-CB 3.97Å; D658-A661 PolarHBondContact OD1-N 2.95Å; D658-G662 WeakPolarHBondContact O-CA 3.11Å; D658-G662 PolarHBondContact O-N 2.91Å; D658-C663 PolarHBondContact N-O 3.28Å; D658-C663 PolarHBondContact O-N 3.28Å; D658-F665 HydrophobicContact CB-CD2 3.97Å; D658-F665 HydrophobicContact CB-CE2 3.61Å
659	N	91.2	Very high	92.5	Very high	42 Å²	42	31.3 Å²	31.3	23%	0.225	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-28.3	-176.3	-87.4	-54.1	0	0	0	112	E641 T643 L717 I718	E641-N659 PolarHBondContact O-N 2.82Å; E641-N659 VanDerWaalsContact O-N 3.09Å; T643-N659 HydrophobicContact CG2-CB 4.23Å; T643-N659 PolarHBondContact OG1-ND2 2.95Å; N659-L717 WeakPolarHBondContact OD1-CA 3.39Å; N659-L717 PolarHBondContact OD1-N 3.32Å; N659-L717 VanDerWaalsContact OD1-N 3.11Å; N659-I718 PolarHBondContact ND2-O 3.48Å; N659-I718 PolarHBondContact OD1-N 3.12Å
660	G	89.9	Confident	92.4	Very high	39 Å²	39	37.5 Å²	37.5	40%	0.402	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-38.1	177.7	0	0	0	0	0	111.9	D658	D658-G660 VanDerWaalsContact C-N 3.31Å; D658-G660 PolarHBondContact OD1-N 3.2Å
661	A	89.3	Confident	92.4	Very high	24 Å²	24	36.2 Å²	36.2	20%	0.198	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-23.4	173	0	0	0	0	0	112.4	K640 D658 C663 F665	K640-A661 HydrophobicContact CB-CB 4.34Å; K640-A661 HydrophobicContact CG-CB 4.13Å; D658-A661 HydrophobicContact CB-CB 3.97Å; D658-A661 PolarHBondContact OD1-N 2.95Å; A661-C663 VanDerWaalsContact C-N 3.34Å; A661-C663 VanDerWaalsContact CB-SG 3.5Å; A661-F665 HydrophobicContact CB-CE2 4.08Å; A661-F665 HydrophobicContact CB-CZ 4.05Å
662	G	88.1	Confident	92.2	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	27.2	179.9	0	0	0	0	0	113.7	D658 V714 C715	D658-G662 WeakPolarHBondContact O-CA 3.11Å; D658-G662 PolarHBondContact O-N 2.91Å; G662-V714 WeakPolarHBondContact O-CG1 3.34Å; G662-C715 PolarHBondContact O-N 3.2Å; G662-C715 VanDerWaalsContact O-N 3.14Å
663	C	90.8	Very high	92.1	Very high	7 Å²	7	36.6 Å²	36.6	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	166.9	-176.2	61.3	0	0	0	0	111.6	D658 A661 F665 V676 I678	D658-C663 PolarHBondContact N-O 3.28Å; D658-C663 PolarHBondContact O-N 3.28Å; A661-C663 VanDerWaalsContact C-N 3.34Å; A661-C663 VanDerWaalsContact CB-SG 3.5Å; C663-F665 VanDerWaalsContact SG-CE2 3.59Å; C663-F665 WeakPolarHBondContact SG-CZ 3.45Å; C663-V676 HydrophobicContact CB-CG1 4.4Å; C663-I678 CarbonylContact C-O 3.52Å; C663-I678 WeakPolarHBondContact CA-O 3.33Å; C663-I678 WeakPolarHBondContact CB-O 3.4Å
664	V	94.2	Very high	92	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127	167.6	-176.6	0	0	0	0	108.1	F655 I656 A657 F677 I678 I718 L729 L731	F655-V664 HydrophobicContact CB-CG1 4.17Å; F655-V664 HydrophobicContact CD1-CG1 4.33Å; I656-V664 CarbonylContact O-C 3.55Å; I656-V664 VanDerWaalsContact O-CA 3.3Å; I656-V664 WeakPolarHBondContact O-CA 3.36Å; A657-V664 HydrophobicContact CB-CG2 4.47Å; V664-F677 WeakPolarHBondContact O-CA 3.41Å; V664-F677 WeakPolarHBondContact O-CB 3.29Å; V664-F677 PolarHBondContact O-N 3.23Å; V664-I678 HydrophobicContact CB-CB 4.18Å; V664-I678 HydrophobicContact CG2-CB 4.41Å; V664-I678 PolarHBondContact N-O 3.29Å; V664-I678 PolarHBondContact O-N 3.5Å; V664-I718 HydrophobicContact CG2-CD1 3.85Å; V664-L729 HydrophobicContact CG1-CD2 4.01Å; V664-L731 HydrophobicContact CG2-CD1 3.83Å; V664-L731 HydrophobicContact CG2-CD2 4.11Å
665	F	95.3	Very high	91.8	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	153.6	172.1	-60.3	-75.6	0	0	0	110.8	L638 F639 F655 I656 D658 A661 C663 V674 N675 V676	L638-F665 HydrophobicContact CB-CE1 3.73Å; L638-F665 HydrophobicContact CB-CZ 3.76Å; L638-F665 HydrophobicContact CD1-CD1 4.45Å; L638-F665 HydrophobicContact CD1-CE1 3.98Å; L638-F665 HydrophobicContact CG-CE1 4.46Å; F639-F665 AromaticContact CD1-CD2 3.78Å; F639-F665 HydrophobicContact CD1-CD2 3.78Å; F639-F665 AromaticContact CD1-CE2 3.83Å; F639-F665 HydrophobicContact CD1-CE2 3.83Å; F639-F665 HydrophobicContact CE1-CB 4.31Å; F639-F665 AromaticContact CE1-CD2 3.67Å; F639-F665 HydrophobicContact CE1-CD2 3.67Å; F639-F665 HydrophobicContact CE1-CE2 4.2Å; F639-F665 HydrophobicContact CE1-CG 4.11Å; F655-F665 CarbonylContact C-O 3.48Å; F655-F665 VanDerWaalsContact CA-O 3.28Å; F655-F665 WeakPolarHBondContact CA-O 3.35Å; I656-F665 HydrophobicContact CB-CB 4.41Å; I656-F665 PolarHBondContact N-O 3.05Å; I656-F665 PolarHBondContact O-N 2.99Å; D658-F665 HydrophobicContact CB-CD2 3.97Å; D658-F665 HydrophobicContact CB-CE2 3.61Å; A661-F665 HydrophobicContact CB-CE2 4.08Å; A661-F665 HydrophobicContact CB-CZ 4.05Å; C663-F665 VanDerWaalsContact SG-CE2 3.59Å; C663-F665 WeakPolarHBondContact SG-CZ 3.45Å; F665-V674 HydrophobicContact CB-CG1 3.84Å; F665-V674 HydrophobicContact CD1-CG1 4.06Å; F665-V674 HydrophobicContact CG-CG1 4.04Å; F665-N675 CarbonylContact C-O 3.48Å; F665-N675 WeakPolarHBondContact CA-O 3.39Å; F665-V676 HydrophobicContact CD1-CG2 3.92Å; F665-V676 HydrophobicContact CE1-CG2 3.61Å
666	V	95	Very high	91.5	Very high	20 Å²	20	37.3 Å²	37.3	12%	0.121	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.6	165.3	62.5	0	0	0	0	108.7	R653 L654 F655 V674 N675 F677	R653-V666 HydrophobicContact CB-CG2 3.99Å; L654-V666 CarbonylContact O-C 3.59Å; L654-V666 WeakPolarHBondContact O-CA 3.48Å; F655-V666 HydrophobicContact CD1-CB 4.02Å; F655-V666 HydrophobicContact CD1-CG2 4.16Å; F655-V666 HydrophobicContact CE1-CB 3.89Å; F655-V666 HydrophobicContact CE1-CG2 3.8Å; F655-V666 HydrophobicContact CZ-CG2 4.22Å; V666-V674 WeakPolarHBondContact O-CA 3.44Å; V666-N675 HydrophobicContact CG1-CB 4.14Å; V666-N675 PolarHBondContact N-O 3.19Å; V666-N675 PolarHBondContact O-N 3.08Å; V666-F677 HydrophobicContact CB-CB 4.03Å; V666-F677 HydrophobicContact CB-CD2 4.39Å; V666-F677 HydrophobicContact CB-CG 4.42Å; V666-F677 HydrophobicContact CG1-CB 4.06Å; V666-F677 HydrophobicContact CG1-CD2 4.28Å
667	C	94.7	Very high	91.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.4	177.7	-177.5	0	0	0	0	109.4	L654 I656 L673 V674	L654-C667 HydrophobicContact CB-CB 4.31Å; L654-C667 PolarHBondContact N-O 2.91Å; L654-C667 PolarHBondContact O-N 3.34Å; I656-C667 HydrophobicContact CD1-CB 3.71Å; C667-L673 WeakPolarHBondContact CA-O 3.39Å; C667-V674 HydrophobicContact CB-CG2 4.1Å
668	D	91.4	Very high	90.9	Very high	45 Å²	45	39.7 Å²	39.7	24%	0.241	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.4	166	-175.3	-30.5	0	0	0	108.4	E670 T671 S672 L673	D668-E670 PolarHBondContact O-N 2.98Å; D668-E670 PolarHBondContact OD1-N 3.29Å; D668-T671 WeakPolarHBondContact CB-OG1 3.34Å; D668-T671 PolarHBondContact O-N 3.09Å; D668-S672 VanDerWaalsContact O-CA 3.29Å; D668-S672 WeakPolarHBondContact O-CA 3.21Å; D668-S672 PolarHBondContact O-N 3.13Å; D668-L673 PolarHBondContact N-O 2.88Å
669	P	87.6	Confident	90.2	Very high	32 Å²	32	41 Å²	41	21%	0.208	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.2	-176	26.7	-34	0	0	0	113.5	W611 L654	W611-P669 HydrophobicContact CZ2-CB 3.95Å; L654-P669 HydrophobicContact CD1-CB 4.33Å
670	E	86.9	Confident	88.6	Confident	179 Å²	179	41.9 Å²	41.9	84%	0.836	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-40.8	-179.7	-62.9	-175.1	177.1	0	0	111.7	D668	D668-E670 PolarHBondContact O-N 2.98Å; D668-E670 PolarHBondContact OD1-N 3.29Å
671	T	89.4	Confident	86.5	Confident	90 Å²	90	45.6 Å²	45.6	55%	0.552	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.2	-179.8	66	0	0	0	0	113.3	D668 L673	D668-T671 WeakPolarHBondContact CB-OG1 3.34Å; D668-T671 PolarHBondContact O-N 3.09Å; T671-L673 PolarHBondContact O-N 2.92Å; T671-L673 VanDerWaalsContact O-N 3.08Å; T671-L673 WeakPolarHBondContact OG1-CB 3.19Å; T671-L673 PolarHBondContact OG1-N 2.81Å
672	S	87.3	Confident	84	Confident	54 Å²	54	49.4 Å²	49.4	38%	0.378	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	19.5	-171.4	-61.3	0	0	0	0	114	D668	D668-S672 VanDerWaalsContact O-CA 3.29Å; D668-S672 WeakPolarHBondContact O-CA 3.21Å; D668-S672 PolarHBondContact O-N 3.13Å
673	L	89.9	Confident	81.2	Confident	96 Å²	96	55.3 Å²	55.3	50%	0.503	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123	-176.5	-167.7	132.6	0	0	0	110.3	C667 D668 T671 N675	C667-L673 WeakPolarHBondContact CA-O 3.39Å; D668-L673 PolarHBondContact N-O 2.88Å; T671-L673 PolarHBondContact O-N 2.92Å; T671-L673 VanDerWaalsContact O-N 3.08Å; T671-L673 WeakPolarHBondContact OG1-CB 3.19Å; T671-L673 PolarHBondContact OG1-N 2.81Å; L673-N675 WeakPolarHBondContact CD2-ND2 3.39Å
674	V	93	Very high	78.3	Confident	16 Å²	16	60.2 Å²	60.2	10%	0.097	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.5	-175	-177.6	0	0	0	0	110.4	V634 F639 F665 V666 C667	V634-V674 HydrophobicContact CG1-CG2 4.01Å; F639-V674 HydrophobicContact CE1-CG1 3.91Å; F639-V674 HydrophobicContact CZ-CG1 3.96Å; F639-V674 HydrophobicContact CZ-CG2 4.15Å; F665-V674 HydrophobicContact CB-CG1 3.84Å; F665-V674 HydrophobicContact CD1-CG1 4.06Å; F665-V674 HydrophobicContact CG-CG1 4.04Å; V666-V674 WeakPolarHBondContact O-CA 3.44Å; C667-V674 HydrophobicContact CB-CG2 4.1Å
675	N	92.2	Very high	75.3	Confident	87 Å²	87	66.5 Å²	66.5	47%	0.465	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.3	177.8	-69.8	-38.1	0	0	0	111.5	F665 V666 L673 F677	F665-N675 CarbonylContact C-O 3.48Å; F665-N675 WeakPolarHBondContact CA-O 3.39Å; V666-N675 HydrophobicContact CG1-CB 4.14Å; V666-N675 PolarHBondContact N-O 3.19Å; V666-N675 PolarHBondContact O-N 3.08Å; L673-N675 WeakPolarHBondContact CD2-ND2 3.39Å; N675-F677 PolarHBondContact O-N 3.43Å
676	V	90.7	Very high	72.1	Confident	46 Å²	46	77.3 Å²	77.3	28%	0.279	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.1	169.2	178.7	0	0	0	0	109.1	C663 F665 N681	C663-V676 HydrophobicContact CB-CG1 4.4Å; F665-V676 HydrophobicContact CD1-CG2 3.92Å; F665-V676 HydrophobicContact CE1-CG2 3.61Å; V676-N681 WeakPolarHBondContact CG2-OD1 3.43Å
677	F	91	Very high	68.9	Low	44 Å²	44	81.2 Å²	81.2	19%	0.193	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-49.5	175.7	-174.5	-109	0	0	0	111.7	F655 V664 V666 N675 L729 S742 G744	F655-F677 HydrophobicContact CD1-CB 4.45Å; F655-F677 AromaticContact CD1-CD1 3.83Å; F655-F677 HydrophobicContact CD1-CD1 3.83Å; F655-F677 HydrophobicContact CD1-CE1 4.23Å; F655-F677 HydrophobicContact CD1-CG 4.07Å; F655-F677 HydrophobicContact CE1-CB 4.35Å; F655-F677 AromaticContact CE1-CD1 3.49Å; F655-F677 HydrophobicContact CE1-CD1 3.49Å; F655-F677 VanDerWaalsContact CE1-CD1 3.49Å; F655-F677 AromaticContact CE1-CD2 3.78Å; F655-F677 HydrophobicContact CE1-CD2 3.78Å; F655-F677 AromaticContact CE1-CE1 3.58Å; F655-F677 HydrophobicContact CE1-CE1 3.58Å; F655-F677 AromaticContact CE1-CE2 3.85Å; F655-F677 HydrophobicContact CE1-CE2 3.85Å; F655-F677 AromaticContact CE1-CG 3.6Å; F655-F677 HydrophobicContact CE1-CG 3.6Å; F655-F677 AromaticContact CE1-CZ 3.75Å; F655-F677 HydrophobicContact CE1-CZ 3.75Å; F655-F677 HydrophobicContact CZ-CE1 4.26Å; F655-F677 HydrophobicContact CZ-CE2 4.33Å; F655-F677 HydrophobicContact CZ-CZ 4.13Å; V664-F677 WeakPolarHBondContact O-CA 3.41Å; V664-F677 WeakPolarHBondContact O-CB 3.29Å; V664-F677 PolarHBondContact O-N 3.23Å; V666-F677 HydrophobicContact CB-CB 4.03Å; V666-F677 HydrophobicContact CB-CD2 4.39Å; V666-F677 HydrophobicContact CB-CG 4.42Å; V666-F677 HydrophobicContact CG1-CB 4.06Å; V666-F677 HydrophobicContact CG1-CD2 4.28Å; N675-F677 PolarHBondContact O-N 3.43Å; F677-L729 HydrophobicContact CD1-CD2 3.74Å; F677-L729 HydrophobicContact CE1-CB 4.35Å; F677-L729 HydrophobicContact CE1-CD2 3.67Å; F677-S742 WeakPolarHBondContact CZ-O 3.29Å; F677-G744 VanDerWaalsContact CZ-N 3.33Å
678	I	86.6	Confident	65.7	Low	6 Å²	6	89.1 Å²	89.1	3%	0.031	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.2	175.6	-65.4	163.7	0	0	0	109.4	C663 V664 L729 L731 F740	C663-I678 CarbonylContact C-O 3.52Å; C663-I678 WeakPolarHBondContact CA-O 3.33Å; C663-I678 WeakPolarHBondContact CB-O 3.4Å; V664-I678 HydrophobicContact CB-CB 4.18Å; V664-I678 HydrophobicContact CG2-CB 4.41Å; V664-I678 PolarHBondContact N-O 3.29Å; V664-I678 PolarHBondContact O-N 3.5Å; I678-L729 HydrophobicContact CD1-CD2 3.55Å; I678-L731 HydrophobicContact CD1-CD1 4.26Å; I678-F740 HydrophobicContact CD1-CB 3.88Å; I678-F740 HydrophobicContact CD1-CD1 3.55Å; I678-F740 HydrophobicContact CD1-CD2 3.65Å; I678-F740 HydrophobicContact CD1-CE1 3.92Å; I678-F740 HydrophobicContact CD1-CE2 4.02Å; I678-F740 HydrophobicContact CD1-CG 3.4Å; I678-F740 VanDerWaalsContact CD1-CG 3.4Å; I678-F740 HydrophobicContact CD1-CZ 4.14Å; I678-F740 HydrophobicContact CG1-CD1 4.04Å; I678-F740 HydrophobicContact CG1-CE1 4.29Å; I678-F740 HydrophobicContact CG1-CG 4.36Å; I678-F740 HydrophobicContact CG2-CE1 3.93Å; I678-F740 HydrophobicContact CG2-CZ 4.1Å
679	G	79.5	Confident	62.7	Low	26 Å²	26	91.9 Å²	91.9	27%	0.268	53%	0.526	S	S	.	.	S	Bend	trans	126.1	168.5	179.3	0	0	0	0	0	112
680	T	58.9	Low	60	Low	62 Å²	62	98.3 Å²	98.3	38%	0.38	56%	0.558	S	S	.	*			trans	-91.3	138.4	177.8	53.1	0	0	0	0	110.7	T682	T680-T682 VanDerWaalsContact C-N 3.29Å; T680-T682 PolarHBondContact O-N 3.42Å
681	N	45.9	Very low	57.2	Low	117 Å²	117	93.9 Å²	93.9	63%	0.626	55%	0.552	S	S	*	*			trans	-60.9	92.8	165.3	-82.2	-7.1	0	0	0	108.2	V676 T683	V676-N681 WeakPolarHBondContact CG2-OD1 3.43Å; N681-T683 PolarHBondContact O-N 3.11Å
682	T	35.3	Very low	54.2	Low	104 Å²	104	96.7 Å²	96.7	64%	0.638	56%	0.564	S	S	*	*			trans	-78.2	68.5	169.1	39.8	0	0	0	0	109	T680	T680-T682 VanDerWaalsContact C-N 3.29Å; T680-T682 PolarHBondContact O-N 3.42Å
683	T	30.8	Very low	51.5	Low	126 Å²	126	100.9 Å²	100.9	77%	0.773	59%	0.587	S	S	*	*			trans	-105.5	13.2	165.5	40.4	0	0	0	0	112.8	N681	N681-T683 PolarHBondContact O-N 3.11Å
684	S	29.2	Very low	48.8	Very low	110 Å²	110	101.7 Å²	101.7	77%	0.769	60%	0.598	S	S	*	*	S	Bend	trans	-113.6	41.5	178.2	63.9	0	0	0	0	114.3
685	I	30.9	Very low	45.5	Very low	132 Å²	132	107.5 Å²	107.5	68%	0.677	63%	0.634	S	S	*	*	S	Bend	trans	-143.6	133.4	159.7	-50.8	177.9	0	0	0	104.7
686	Y	27.6	Very low	42.3	Very low	231 Å²	231	114.1 Å²	114.1	91%	0.906	65%	0.653	S	S	*	*			trans	90.8	60.1	-170	-45.5	-68.2	0	0	0	116.2
687	A	28.5	Very low	39.2	Very low	103 Å²	103	121.2 Å²	121.2	85%	0.851	68%	0.682	S	S	*	*			trans	-145.3	65.7	147.6	0	0	0	0	0	108
688	D	27.7	Very low	36	Very low	166 Å²	166	124.5 Å²	124.5	89%	0.888	71%	0.711	S	S	*	*			trans	-144.4	69	172.2	-139.2	9.5	0	0	0	109
689	S	28.9	Very low	33.1	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	75%	0.748	S	S	*	*			trans	-159.2	68	164	63.9	0	0	0	0	108.3
690	D	30.1	Very low	30.5	Very low	166 Å²	166	137.4 Å²	137.4	89%	0.888	78%	0.778	S	S	*	*			trans	-151.9	103.5	152	-90.4	-34.2	0	0	0	109.4
691	A	28.3	Very low	28.8	Very low	86 Å²	86	141.7 Å²	141.7	71%	0.711	80%	0.797	S	S	*	*			trans	-63.9	150.9	167.7	0	0	0	0	0	110.1
692	N	26.9	Very low	27.7	Very low	149 Å²	149	146 Å²	146	80%	0.797	80%	0.804	S	S	*	*			trans	83.1	87.1	168.4	-52.8	-30.3	0	0	0	116.6
693	T	28.9	Very low	27.2	Very low	142 Å²	142	147.6 Å²	147.6	87%	0.871	81%	0.814	S	S	*	*				-173.2	129.7	114.1	16.1	0	0	0	0	110.7
694	P	33.7	Very low	26.7	Very low	113 Å²	113	147.9 Å²	147.9	73%	0.734	81%	0.806	S	S	*	*			trans	-89.8	131.1	174.9	33.7	-26.8	0	0	0	109.2
695	T	25.1	Very low	26.6	Very low	139 Å²	139	147.4 Å²	147.4	85%	0.853	81%	0.81	S	S	*	*				171.8	140.6	127.7	30.8	0	0	0	0	113.9
696	R	24.7	Very low	26.2	Very low	226 Å²	226	146.9 Å²	146.9	85%	0.853	82%	0.817	S	S	*	*			trans	78.6	85.3	155.2	-77.6	-175.5	169.3	-176.2	-2.8	119.6	S698	R696-S698 PolarHBondContact O-N 3.22Å
697	H	24.7	Very low	26.3	Very low	194 Å²	194	140.6 Å²	140.6	90%	0.898	81%	0.807	S	S	*	*				19.8	95.9	124.5	-62.3	-77.4	0	0	0	116.7
698	S	24.7	Very low	26.2	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	81%	0.811	S	S	*	*			trans	-118.4	117.3	152.4	-166.2	0	0	0	0	108.3	R696 L700	R696-S698 PolarHBondContact O-N 3.22Å; S698-L700 PolarHBondContact O-N 2.84Å
699	T	25.2	Very low	26.2	Very low	134 Å²	134	144.2 Å²	144.2	82%	0.822	81%	0.805	S	S	*	*			trans	-59	109.9	-177.3	30.3	0	0	0	0	111.8	I701	T699-I701 PolarHBondContact O-N 2.92Å
700	L	24.8	Very low	26.3	Very low	170 Å²	170	145 Å²	145	89%	0.89	81%	0.808	S	S	*	*			trans	-69.7	112.5	168.7	-80	159.3	0	0	0	109.8	S698 R702	S698-L700 PolarHBondContact O-N 2.84Å; L700-R702 PolarHBondContact O-N 3.43Å
701	I	24.1	Very low	26.3	Very low	152 Å²	152	144.6 Å²	144.6	78%	0.779	80%	0.8	S	S	*	*			trans	-68.3	113.7	167.5	-65.8	173	0	0	0	107.4	T699 T703	T699-I701 PolarHBondContact O-N 2.92Å; I701-T703 PolarHBondContact O-N 3Å
702	R	21.4	Very low	27	Very low	207 Å²	207	144.2 Å²	144.2	78%	0.781	79%	0.791	S	S	*	*			trans	-84	94	180	-160.3	-173.4	-167	-163	-0.4	108.3	L700 E704	L700-R702 PolarHBondContact O-N 3.43Å; R702-E704 HydrophobicContact CG-CG 4.11Å; R702-E704 IonicContact CZ-OE1 2.76Å; R702-E704 IonicContact NE-OE1 3.18Å; R702-E704 PolarHBondContact NE-OE1 3.01Å; R702-E704 IonicContact NH1-OE1 3.13Å; R702-E704 PolarHBondContact NH1-OE1 2.74Å; R702-E704 IonicContact NH2-OE1 3.46Å; R702-E704 PolarHBondContact NH2-OE1 3.31Å; R702-E704 PolarHBondContact O-N 2.95Å
703	T	25.3	Very low	28.1	Very low	137 Å²	137	145.9 Å²	145.9	84%	0.84	79%	0.791	S	S	*	*			trans	-85.3	97	166.6	13.7	0	0	0	0	108.7	I701	I701-T703 PolarHBondContact O-N 3Å
704	E	20.9	Very low	29.4	Very low	132 Å²	132	142.2 Å²	142.2	62%	0.617	77%	0.768	S	S	*	*			trans	-79.1	136.6	170.4	-68.3	-177.4	165	0	0	110.6	R702	R702-E704 HydrophobicContact CG-CG 4.11Å; R702-E704 IonicContact CZ-OE1 2.76Å; R702-E704 IonicContact NE-OE1 3.18Å; R702-E704 PolarHBondContact NE-OE1 3.01Å; R702-E704 IonicContact NH1-OE1 3.13Å; R702-E704 PolarHBondContact NH1-OE1 2.74Å; R702-E704 IonicContact NH2-OE1 3.46Å; R702-E704 PolarHBondContact NH2-OE1 3.31Å; R702-E704 PolarHBondContact O-N 2.95Å
705	A	25.6	Very low	30.8	Very low	101 Å²	101	137.1 Å²	137.1	84%	0.835	74%	0.735	S	S	*	*			trans	57.6	106.7	145.6	0	0	0	0	0	119.7
706	S	24.2	Very low	32.9	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	73%	0.727	S	S	*	*				-172.5	150.6	122	-160.7	0	0	0	0	111.7
707	S	27.7	Very low	35.7	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	71%	0.712	S	S	*	*			trans	83.8	86.7	177	76.2	0	0	0	0	117.7	L709	S707-L709 VanDerWaalsContact C-N 3.31Å; S707-L709 PolarHBondContact O-N 3.3Å
708	H	28.1	Very low	38.8	Very low	200 Å²	200	123.1 Å²	123.1	93%	0.926	67%	0.67	S	S	*	*			trans	-72.3	77.4	164.1	-75.8	-73.4	0	0	0	111
709	L	28	Very low	41.9	Very low	144 Å²	144	119.2 Å²	119.2	75%	0.754	64%	0.642	S	S	*	*			trans	-84.1	127	150.4	-95.3	91.4	0	0	0	107.7	S707 Q711	S707-L709 VanDerWaalsContact C-N 3.31Å; S707-L709 PolarHBondContact O-N 3.3Å; L709-Q711 PolarHBondContact O-N 2.95Å
710	P	29.3	Very low	45.1	Very low	121 Å²	121	113 Å²	113	79%	0.786	61%	0.605	S	S	*	*			trans	-65.2	109.4	177.6	26.1	-30.1	0	0	0	108.4
711	Q	31.5	Very low	48.5	Very low	156 Å²	156	105.5 Å²	105.5	73%	0.729	57%	0.566	S	S	*	*			trans	-49.2	132.3	173	-71.1	178.5	-6	0	0	109.2	L709 K713	L709-Q711 PolarHBondContact O-N 2.95Å; Q711-K713 PolarHBondContact O-N 3.49Å
712	P	41.7	Very low	51.9	Low	79 Å²	79	98.9 Å²	98.9	51%	0.513	53%	0.533	S	S	.	.			trans	-60.4	112.6	-177	21.4	-29.9	0	0	0	109	V714	P712-V714 PolarHBondContact O-N 3.01Å
713	K	51.4	Low	55.4	Low	184 Å²	184	89.7 Å²	89.7	80%	0.8	50%	0.499	S	S	*	.			trans	-52.6	133.6	175.5	-69.3	177.7	178.6	175.1	0	108.7	Q711 C715	Q711-K713 PolarHBondContact O-N 3.49Å; K713-C715 PolarHBondContact O-N 3Å
714	V	54.6	Low	58.7	Low	65 Å²	65	83.1 Å²	83.1	39%	0.394	46%	0.459	S	S	.	.			trans	-26.4	119.5	171.1	-174.9	0	0	0	0	111.2	G662 P712 K716	G662-V714 WeakPolarHBondContact O-CG1 3.34Å; P712-V714 PolarHBondContact O-N 3.01Å; V714-K716 VanDerWaalsContact C-N 3.3Å; V714-K716 HydrophobicContact CB-CG 4.33Å; V714-K716 HydrophobicContact CG1-CD 4.38Å; V714-K716 HydrophobicContact CG1-CG 3.68Å; V714-K716 PolarHBondContact O-N 3.28Å
715	C	64.1	Low	61.9	Low	6 Å²	6	79.2 Å²	79.2	4%	0.041	44%	0.443	C	S	.	.			trans	-76.8	85.5	178.6	-73.1	0	0	0	0	108.6	G662 K713 I718	G662-C715 PolarHBondContact O-N 3.2Å; G662-C715 VanDerWaalsContact O-N 3.14Å; K713-C715 PolarHBondContact O-N 3Å; C715-I718 HydrophobicContact CB-CD1 4.01Å; C715-I718 HydrophobicContact CB-CG1 4.29Å
716	K	69.3	Low	64.9	Low	155 Å²	155	77.4 Å²	77.4	67%	0.674	42%	0.424	S	S	*	.			trans	-89.1	145.9	173.5	-61.8	-168.5	176.9	-172.6	0	110.1	V714	V714-K716 VanDerWaalsContact C-N 3.3Å; V714-K716 HydrophobicContact CB-CG 4.33Å; V714-K716 HydrophobicContact CG1-CD 4.38Å; V714-K716 HydrophobicContact CG1-CG 3.68Å; V714-K716 PolarHBondContact O-N 3.28Å
717	L	83.2	Confident	68	Low	105 Å²	105	71.9 Å²	71.9	55%	0.55	39%	0.386	S	S	.	.			trans	67.8	49.3	175.7	-161.2	73.2	0	0	0	113.5	N659 T719 G734	N659-L717 WeakPolarHBondContact OD1-CA 3.39Å; N659-L717 PolarHBondContact OD1-N 3.32Å; N659-L717 VanDerWaalsContact OD1-N 3.11Å; L717-T719 HydrophobicContact CG-CG2 4.45Å; L717-T719 PolarHBondContact O-N 2.85Å; L717-G734 PolarHBondContact O-N 3.06Å
718	I	89.5	Confident	71.2	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	117.6	166.9	-56.5	170	0	0	0	107.3	A657 N659 V664 C715 L731 S732	A657-I718 HydrophobicContact CB-CB 4.01Å; A657-I718 HydrophobicContact CB-CD1 3.72Å; A657-I718 HydrophobicContact CB-CG1 4.48Å; A657-I718 HydrophobicContact CB-CG2 3.61Å; N659-I718 PolarHBondContact ND2-O 3.48Å; N659-I718 PolarHBondContact OD1-N 3.12Å; V664-I718 HydrophobicContact CG2-CD1 3.85Å; C715-I718 HydrophobicContact CB-CD1 4.01Å; C715-I718 HydrophobicContact CB-CG1 4.29Å; I718-L731 HydrophobicContact CD1-CD1 4.38Å; I718-S732 WeakPolarHBondContact CA-O 3.39Å
719	T	90.8	Very high	74.4	Confident	31 Å²	31	59.6 Å²	59.6	19%	0.19	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-17.1	-177.5	50.5	0	0	0	0	112.7	L717 S732 F822 G823	L717-T719 HydrophobicContact CG-CG2 4.45Å; L717-T719 PolarHBondContact O-N 2.85Å; T719-S732 PolarHBondContact N-O 3.44Å; T719-S732 PolarHBondContact OG1-O 3.34Å; T719-S732 PolarHBondContact OG1-OG 2.99Å; T719-F822 PolarHBondContact OG1-O 2.96Å; T719-G823 CarbonylContact C-O 3.59Å; T719-G823 WeakPolarHBondContact CB-O 3.43Å; T719-G823 PolarHBondContact OG1-O 3.21Å
720	G	92.4	Very high	77.6	Confident	5 Å²	5	52.8 Å²	52.8	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	159.4	175.1	0	0	0	0	0	110.8	S732	G720-S732 WeakPolarHBondContact O-CB 3.42Å; G720-S732 PolarHBondContact O-N 3.29Å
721	L	95.3	Very high	80.7	Confident	11 Å²	11	47 Å²	47	6%	0.058	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.7	173.6	78.1	111.7	0	0	0	111.1	S644 A646 F655 A657 L729 I730 L731	S644-L721 VanDerWaalsContact C-CD2 3.44Å; S644-L721 WeakPolarHBondContact O-CD2 3.3Å; S644-L721 WeakPolarHBondContact OG-CD2 3.5Å; A646-L721 HydrophobicContact CB-CD1 3.23Å; A646-L721 HydrophobicContact CB-CG 4.01Å; F655-L721 HydrophobicContact CB-CD1 3.93Å; A657-L721 HydrophobicContact CB-CD2 3.39Å; L721-L729 HydrophobicContact CD1-CD1 3.9Å; L721-I730 VanDerWaalsContact CA-O 3.31Å; L721-I730 WeakPolarHBondContact CA-O 3.36Å; L721-L731 HydrophobicContact CB-CD2 3.65Å
722	C	96	Very high	83.6	Confident	14 Å²	14	39.6 Å²	39.6	10%	0.095	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	168.9	170	71.7	0	0	0	0	110.2	I730 V825	C722-I730 PolarHBondContact N-O 2.84Å; C722-I730 PolarHBondContact O-N 3.37Å; C722-V825 HydrophobicContact CB-CG1 4.35Å
723	V	95.6	Very high	85.7	Confident	13 Å²	13	36.2 Å²	36.2	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131	177.9	-171.8	0	0	0	0	108.1	A646 C648 F655 E728 L729	A646-V723 HydrophobicContact CB-CG2 4.08Å; C648-V723 HydrophobicContact CB-CG1 4.33Å; F655-V723 HydrophobicContact CD2-CG2 3.69Å; F655-V723 HydrophobicContact CE2-CG2 4.08Å; V723-E728 WeakPolarHBondContact CA-O 3.49Å; V723-L729 HydrophobicContact CG2-CD1 3.91Å
724	A	93.2	Very high	87.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.			trans	-70.9	160.1	173.5	0	0	0	0	0	111.2	S726 G727 E728 I730 F827	A724-S726 PolarHBondContact O-N 3.29Å; A724-S726 VanDerWaalsContact O-N 3.17Å; A724-G727 PolarHBondContact O-N 3.26Å; A724-E728 HydrophobicContact CB-CB 4.31Å; A724-E728 PolarHBondContact N-O 3.01Å; A724-I730 HydrophobicContact CB-CD1 4.19Å; A724-F827 HydrophobicContact CB-CD1 4.27Å; A724-F827 HydrophobicContact CB-CD2 3.91Å; A724-F827 HydrophobicContact CB-CE1 4.05Å; A724-F827 HydrophobicContact CB-CE2 3.68Å; A724-F827 HydrophobicContact CB-CG 4.2Å; A724-F827 HydrophobicContact CB-CZ 3.74Å
725	D	88.6	Confident	88.4	Confident	49 Å²	49	28.5 Å²	28.5	26%	0.262	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.6	177.8	-63.3	-19.5	0	0	0	113.1	L650 G727 F827 K844	L650-D725 VanDerWaalsContact CD1-O 3.31Å; L650-D725 WeakPolarHBondContact CD1-O 3.48Å; L650-D725 WeakPolarHBondContact CD2-O 3.42Å; L650-D725 VanDerWaalsContact CG-O 3.31Å; L650-D725 WeakPolarHBondContact CG-O 3.28Å; D725-G727 VanDerWaalsContact C-N 3.3Å; D725-F827 HydrophobicContact CB-CE1 4.25Å; D725-K844 WeakPolarHBondContact OD2-CE 3.43Å; D725-K844 IonicContact OD2-NZ 2.83Å; D725-K844 PolarHBondContact OD2-NZ 3.13Å
726	S	88	Confident	89.6	Confident	64 Å²	64	28.5 Å²	28.5	45%	0.448	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.7	175.8	34.5	0	0	0	0	113.6	A724 E728	A724-S726 PolarHBondContact O-N 3.29Å; A724-S726 VanDerWaalsContact O-N 3.17Å; S726-E728 VanDerWaalsContact C-OE2 3.3Å; S726-E728 WeakPolarHBondContact CB-OE2 3.36Å; S726-E728 PolarHBondContact OG-OE1 3.12Å; S726-E728 PolarHBondContact OG-OE2 2.57Å
727	G	89.9	Confident	90.8	Very high	4 Å²	4	21.1 Å²	21.1	4%	0.041	13%	0.126	C	C	.	.	S	Bend	trans	96	-2.4	173.3	0	0	0	0	0	115.4	A724 D725 S742	A724-G727 PolarHBondContact O-N 3.26Å; D725-G727 VanDerWaalsContact C-N 3.3Å; G727-S742 WeakPolarHBondContact O-CA 3.27Å
728	E	94.2	Very high	91.2	Very high	42 Å²	42	19.4 Å²	19.4	20%	0.196	11%	0.112	C	C	.	.			trans	-63.5	135.4	172.8	-63	86.1	166.8	0	0	110.8	V723 A724 S726 I739 F740 L747	V723-E728 WeakPolarHBondContact CA-O 3.49Å; A724-E728 HydrophobicContact CB-CB 4.31Å; A724-E728 PolarHBondContact N-O 3.01Å; S726-E728 VanDerWaalsContact C-OE2 3.3Å; S726-E728 WeakPolarHBondContact CB-OE2 3.36Å; S726-E728 PolarHBondContact OG-OE1 3.12Å; S726-E728 PolarHBondContact OG-OE2 2.57Å; E728-I739 HydrophobicContact CB-CG2 4.09Å; E728-I739 HydrophobicContact CG-CG2 4.47Å; E728-F740 CarbonylContact C-O 3.58Å; E728-F740 WeakPolarHBondContact CA-O 3.29Å; E728-F740 VanDerWaalsContact CB-O 3.3Å; E728-F740 WeakPolarHBondContact CB-O 3.15Å; E728-L747 HydrophobicContact CG-CD1 4.12Å
729	L	95.3	Very high	91.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.9	176.7	179.4	68	0	0	0	109.4	F655 V664 F677 I678 L721 V723 L731 F740	F655-L729 HydrophobicContact CB-CD1 4.08Å; F655-L729 HydrophobicContact CD1-CD2 4.16Å; F655-L729 HydrophobicContact CD2-CD1 4.29Å; F655-L729 HydrophobicContact CG-CD1 4.06Å; F655-L729 HydrophobicContact CG-CD2 4.48Å; V664-L729 HydrophobicContact CG1-CD2 4.01Å; F677-L729 HydrophobicContact CD1-CD2 3.74Å; F677-L729 HydrophobicContact CE1-CB 4.35Å; F677-L729 HydrophobicContact CE1-CD2 3.67Å; I678-L729 HydrophobicContact CD1-CD2 3.55Å; L721-L729 HydrophobicContact CD1-CD1 3.9Å; V723-L729 HydrophobicContact CG2-CD1 3.91Å; L729-L731 HydrophobicContact CD1-CD2 4.24Å; L729-L731 HydrophobicContact CD2-CD2 4.11Å; L729-L731 HydrophobicContact CG-CD2 3.94Å; L729-L731 HydrophobicContact CG-CG 4.44Å; L729-F740 HydrophobicContact CB-CB 4.36Å; L729-F740 PolarHBondContact N-O 3.04Å; L729-F740 PolarHBondContact O-N 3.44Å
730	I	95.9	Very high	91.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119	-176.3	-56.9	158.3	0	0	0	108.2	L721 C722 A724 I737 R738 V825 F827 I846	L721-I730 VanDerWaalsContact CA-O 3.31Å; L721-I730 WeakPolarHBondContact CA-O 3.36Å; C722-I730 PolarHBondContact N-O 2.84Å; C722-I730 PolarHBondContact O-N 3.37Å; A724-I730 HydrophobicContact CB-CD1 4.19Å; I730-I737 HydrophobicContact CG2-CG2 3.33Å; I730-R738 CarbonylContact C-O 3.54Å; I730-R738 WeakPolarHBondContact CA-O 3.43Å; I730-V825 HydrophobicContact CG2-CG2 3.72Å; I730-F827 HydrophobicContact CD1-CD2 3.91Å; I730-I846 HydrophobicContact CD1-CD1 3.72Å; I730-I846 HydrophobicContact CD1-CG1 3.83Å; I730-I846 HydrophobicContact CG1-CD1 4.21Å; I730-I846 HydrophobicContact CG2-CD1 4.49Å; I730-I846 HydrophobicContact CG2-CG2 4.17Å
731	L	94.3	Very high	91.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.6	-179.1	-56	-174.5	0	0	0	110.3	V664 I678 I718 L721 L729 I737 R738 F740	V664-L731 HydrophobicContact CG2-CD1 3.83Å; V664-L731 HydrophobicContact CG2-CD2 4.11Å; I678-L731 HydrophobicContact CD1-CD1 4.26Å; I718-L731 HydrophobicContact CD1-CD1 4.38Å; L721-L731 HydrophobicContact CB-CD2 3.65Å; L729-L731 HydrophobicContact CD1-CD2 4.24Å; L729-L731 HydrophobicContact CD2-CD2 4.11Å; L729-L731 HydrophobicContact CG-CD2 3.94Å; L729-L731 HydrophobicContact CG-CG 4.44Å; L731-I737 CarbonylContact O-C 3.53Å; L731-I737 WeakPolarHBondContact O-CA 3.32Å; L731-R738 HydrophobicContact CB-CB 4.38Å; L731-R738 PolarHBondContact N-O 2.8Å; L731-R738 PolarHBondContact O-N 2.52Å; L731-F740 HydrophobicContact CD1-CD2 4.08Å; L731-F740 HydrophobicContact CD1-CE2 3.6Å; L731-F740 HydrophobicContact CD1-CZ 4.39Å; L731-F740 HydrophobicContact CG-CD2 4.2Å; L731-F740 HydrophobicContact CG-CE2 4.07Å
732	S	93.3	Very high	91.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.6	165.5	-171.7	0	0	0	0	109.4	I718 T719 G720 I737 F822 G823	I718-S732 WeakPolarHBondContact CA-O 3.39Å; T719-S732 PolarHBondContact N-O 3.44Å; T719-S732 PolarHBondContact OG1-O 3.34Å; T719-S732 PolarHBondContact OG1-OG 2.99Å; G720-S732 WeakPolarHBondContact O-CB 3.42Å; G720-S732 PolarHBondContact O-N 3.29Å; S732-I737 WeakPolarHBondContact OG-CD1 3.48Å; S732-F822 WeakPolarHBondContact OG-CB 3.26Å; S732-G823 VanDerWaalsContact CB-O 3.26Å; S732-G823 WeakPolarHBondContact CB-O 3.38Å; S732-G823 PolarHBondContact OG-O 3.47Å
733	T	85.5	Confident	90.8	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.055	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	156.6	169.9	76	0	0	0	0	108.6	T735 C736 R738	T733-T735 PolarHBondContact O-N 3.27Å; T733-C736 WeakPolarHBondContact CA-O 3.44Å; T733-C736 WeakPolarHBondContact CB-O 3.48Å; T733-C736 PolarHBondContact N-O 3.03Å; T733-C736 PolarHBondContact O-N 2.75Å; T733-C736 VanDerWaalsContact O-O 3.11Å; T733-C736 PolarHBondContact OG1-N 3.01Å; T733-C736 VanDerWaalsContact OG1-N 3.13Å; T733-C736 PolarHBondContact OG1-O 2.97Å; T733-C736 PolarHBondContact OG1-SG 2.94Å; T733-R738 HydrophobicContact CG2-CG 3.92Å
734	G	79.5	Confident	90.4	Very high	5 Å²	5	25.4 Å²	25.4	5%	0.052	15%	0.151	C	C	.	.	S	Bend	trans	-55.8	-7	-180	0	0	0	0	0	116.2	L717 Q821	L717-G734 PolarHBondContact O-N 3.06Å; G734-Q821 VanDerWaalsContact O-CA 3.28Å; G734-Q821 WeakPolarHBondContact O-CA 3.44Å
735	T	83.4	Confident	90.2	Very high	81 Å²	81	33.7 Å²	33.7	50%	0.497	18%	0.183	S	C	.	.	S	Bend	trans	-129.8	-19.9	176.2	54.3	0	0	0	0	115.8	T733	T733-T735 PolarHBondContact O-N 3.27Å
736	C	89.2	Confident	90.1	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.047	19%	0.193	C	C	.	.			trans	-153.6	162.5	-178.5	61.5	0	0	0	0	111.3	T733 L750 L751	T733-C736 WeakPolarHBondContact CA-O 3.44Å; T733-C736 WeakPolarHBondContact CB-O 3.48Å; T733-C736 PolarHBondContact N-O 3.03Å; T733-C736 PolarHBondContact O-N 2.75Å; T733-C736 VanDerWaalsContact O-O 3.11Å; T733-C736 PolarHBondContact OG1-N 3.01Å; T733-C736 VanDerWaalsContact OG1-N 3.13Å; T733-C736 PolarHBondContact OG1-O 2.97Å; T733-C736 PolarHBondContact OG1-SG 2.94Å; C736-L750 WeakPolarHBondContact CA-O 3.23Å; C736-L750 WeakPolarHBondContact CB-O 3.41Å; C736-L751 HydrophobicContact CB-CD2 3.9Å
737	I	92.8	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.3	166.5	-52.3	-56.5	0	0	0	107.9	I730 L731 S732 D749 L750 F822 V825 A848 W861	I730-I737 HydrophobicContact CG2-CG2 3.33Å; L731-I737 CarbonylContact O-C 3.53Å; L731-I737 WeakPolarHBondContact O-CA 3.32Å; S732-I737 WeakPolarHBondContact OG-CD1 3.48Å; I737-D749 CarbonylContact O-C 3.58Å; I737-D749 WeakPolarHBondContact O-CA 3.2Å; I737-L750 HydrophobicContact CB-CB 4.12Å; I737-L750 PolarHBondContact N-O 2.84Å; I737-L750 PolarHBondContact O-N 2.97Å; I737-F822 HydrophobicContact CD1-CB 4.09Å; I737-F822 HydrophobicContact CD1-CD1 3.93Å; I737-F822 HydrophobicContact CD1-CD2 4.14Å; I737-F822 HydrophobicContact CD1-CE1 4.38Å; I737-F822 HydrophobicContact CD1-CG 3.79Å; I737-F822 HydrophobicContact CG1-CD1 4.39Å; I737-F822 HydrophobicContact CG1-CE1 4.35Å; I737-F822 HydrophobicContact CG1-CE2 4.48Å; I737-F822 HydrophobicContact CG1-CG 4.47Å; I737-F822 HydrophobicContact CG1-CZ 4.39Å; I737-V825 HydrophobicContact CG2-CG2 4.48Å; I737-A848 HydrophobicContact CD1-CB 3.65Å; I737-A848 HydrophobicContact CG1-CB 4.09Å; I737-W861 HydrophobicContact CG1-CH2 3.75Å; I737-W861 HydrophobicContact CG1-CZ3 4.05Å
738	R	92.5	Very high	90.2	Very high	69 Å²	69	35.7 Å²	35.7	26%	0.26	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.4	178.6	-53.3	-161.3	161.1	172.8	-4.4	110.3	I730 L731 T733 F740 D749	I730-R738 CarbonylContact C-O 3.54Å; I730-R738 WeakPolarHBondContact CA-O 3.43Å; L731-R738 HydrophobicContact CB-CB 4.38Å; L731-R738 PolarHBondContact N-O 2.8Å; L731-R738 PolarHBondContact O-N 2.52Å; T733-R738 HydrophobicContact CG2-CG 3.92Å; R738-F740 HydrophobicContact CB-CD2 4.38Å; R738-F740 HydrophobicContact CB-CE2 3.64Å; R738-F740 HydrophobicContact CB-CZ 4.38Å; R738-D749 VanDerWaalsContact CG-OD1 3.24Å; R738-D749 WeakPolarHBondContact CG-OD1 3.44Å; R738-D749 IonicContact NE-OD1 2.71Å
739	I	94.1	Very high	89.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.9	178.3	-50.6	178.1	0	0	0	108.6	E728 L747 S748 L750 I846 W866	E728-I739 HydrophobicContact CB-CG2 4.09Å; E728-I739 HydrophobicContact CG-CG2 4.47Å; I739-L747 HydrophobicContact CB-CB 4.47Å; I739-L747 HydrophobicContact CG2-CB 4.44Å; I739-L747 HydrophobicContact CG2-CD1 4.18Å; I739-L747 WeakPolarHBondContact O-CB 3.2Å; I739-L747 PolarHBondContact O-N 3.17Å; I739-S748 PolarHBondContact N-O 2.94Å; I739-S748 PolarHBondContact O-N 3.11Å; I739-L750 HydrophobicContact CD1-CD1 3.94Å; I739-L750 HydrophobicContact CD1-CD2 4.36Å; I739-L750 HydrophobicContact CD1-CG 4.08Å; I739-I846 HydrophobicContact CD1-CD1 3.81Å; I739-I846 HydrophobicContact CG1-CD1 4.45Å; I739-W866 HydrophobicContact CD1-CB 4.45Å; I739-W866 HydrophobicContact CD1-CE3 4.23Å
740	F	93.7	Very high	89.7	Confident	5 Å²	5	37 Å²	37	2%	0.022	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.4	174.5	-63.4	-99.2	0	0	0	109.6	I678 E728 L729 L731 R738 R745 F746	I678-F740 HydrophobicContact CD1-CB 3.88Å; I678-F740 HydrophobicContact CD1-CD1 3.55Å; I678-F740 HydrophobicContact CD1-CD2 3.65Å; I678-F740 HydrophobicContact CD1-CE1 3.92Å; I678-F740 HydrophobicContact CD1-CE2 4.02Å; I678-F740 HydrophobicContact CD1-CG 3.4Å; I678-F740 VanDerWaalsContact CD1-CG 3.4Å; I678-F740 HydrophobicContact CD1-CZ 4.14Å; I678-F740 HydrophobicContact CG1-CD1 4.04Å; I678-F740 HydrophobicContact CG1-CE1 4.29Å; I678-F740 HydrophobicContact CG1-CG 4.36Å; I678-F740 HydrophobicContact CG2-CE1 3.93Å; I678-F740 HydrophobicContact CG2-CZ 4.1Å; E728-F740 CarbonylContact C-O 3.58Å; E728-F740 WeakPolarHBondContact CA-O 3.29Å; E728-F740 VanDerWaalsContact CB-O 3.3Å; E728-F740 WeakPolarHBondContact CB-O 3.15Å; L729-F740 HydrophobicContact CB-CB 4.36Å; L729-F740 PolarHBondContact N-O 3.04Å; L729-F740 PolarHBondContact O-N 3.44Å; L731-F740 HydrophobicContact CD1-CD2 4.08Å; L731-F740 HydrophobicContact CD1-CE2 3.6Å; L731-F740 HydrophobicContact CD1-CZ 4.39Å; L731-F740 HydrophobicContact CG-CD2 4.2Å; L731-F740 HydrophobicContact CG-CE2 4.07Å; R738-F740 HydrophobicContact CB-CD2 4.38Å; R738-F740 HydrophobicContact CB-CE2 3.64Å; R738-F740 HydrophobicContact CB-CZ 4.38Å; F740-R745 CarbonylContact C-O 3.42Å; F740-R745 WeakPolarHBondContact CA-O 3.24Å; F740-F746 HydrophobicContact CD1-CB 4.18Å; F740-F746 HydrophobicContact CE1-CB 3.98Å; F740-F746 HydrophobicContact CE1-CD2 4.13Å; F740-F746 HydrophobicContact CZ-CD2 4.16Å
741	S	91.4	Very high	89.2	Confident	16 Å²	16	42.4 Å²	42.4	11%	0.112	22%	0.22	C	C	.	.			trans	-65.7	167.1	171.7	55.6	0	0	0	0	111.4	D743 G744 R745	S741-D743 WeakPolarHBondContact CB-OD1 3.08Å; S741-D743 PolarHBondContact O-N 3.14Å; S741-D743 VanDerWaalsContact O-N 3.14Å; S741-D743 PolarHBondContact OG-OD1 3.38Å; S741-G744 PolarHBondContact O-N 3.13Å; S741-R745 PolarHBondContact N-O 3.34Å; S741-R745 WeakPolarHBondContact OG-CA 3.28Å; S741-R745 VanDerWaalsContact OG-CB 3.31Å; S741-R745 WeakPolarHBondContact OG-CB 3.32Å; S741-R745 PolarHBondContact OG-N 3.3Å; S741-R745 PolarHBondContact OG-O 3.26Å
742	S	89.5	Confident	88.6	Confident	79 Å²	79	44 Å²	44	55%	0.552	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17	177.2	54.4	0	0	0	0	114.1	F677 G727	F677-S742 WeakPolarHBondContact CZ-O 3.29Å; G727-S742 WeakPolarHBondContact O-CA 3.27Å
743	D	87.3	Confident	88	Confident	86 Å²	86	45 Å²	45	46%	0.46	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	6	172.8	72.7	-33.6	0	0	0	113.8	S741 R745	S741-D743 WeakPolarHBondContact CB-OD1 3.08Å; S741-D743 PolarHBondContact O-N 3.14Å; S741-D743 VanDerWaalsContact O-N 3.14Å; S741-D743 PolarHBondContact OG-OD1 3.38Å; D743-R745 IonicContact OD1-NE 3.84Å; D743-R745 WeakPolarHBondContact OD2-CD 3.25Å; D743-R745 IonicContact OD2-CZ 3.4Å; D743-R745 VanDerWaalsContact OD2-CZ 3.27Å; D743-R745 IonicContact OD2-NE 3.44Å; D743-R745 PolarHBondContact OD2-NE 2.93Å; D743-R745 IonicContact OD2-NH2 3.42Å; D743-R745 PolarHBondContact OD2-NH2 3.47Å
744	G	86.7	Confident	87.3	Confident	17 Å²	17	49.8 Å²	49.8	18%	0.175	26%	0.263	C	S	.	.	S	Bend	trans	89.2	9.5	171.5	0	0	0	0	0	115.6	F677 S741	F677-G744 VanDerWaalsContact CZ-N 3.33Å; S741-G744 PolarHBondContact O-N 3.13Å
745	R	88.2	Confident	86.4	Confident	175 Å²	175	53.7 Å²	53.7	66%	0.66	28%	0.279	S	S	*	.			trans	-78.2	140.7	174.1	-56.3	176.5	-168.4	-174.4	-3.4	110.2	F740 S741 D743	F740-R745 CarbonylContact C-O 3.42Å; F740-R745 WeakPolarHBondContact CA-O 3.24Å; S741-R745 PolarHBondContact N-O 3.34Å; S741-R745 WeakPolarHBondContact OG-CA 3.28Å; S741-R745 VanDerWaalsContact OG-CB 3.31Å; S741-R745 WeakPolarHBondContact OG-CB 3.32Å; S741-R745 PolarHBondContact OG-N 3.3Å; S741-R745 PolarHBondContact OG-O 3.26Å; D743-R745 IonicContact OD1-NE 3.84Å; D743-R745 WeakPolarHBondContact OD2-CD 3.25Å; D743-R745 IonicContact OD2-CZ 3.4Å; D743-R745 VanDerWaalsContact OD2-CZ 3.27Å; D743-R745 IonicContact OD2-NE 3.44Å; D743-R745 PolarHBondContact OD2-NE 2.93Å; D743-R745 IonicContact OD2-NH2 3.42Å; D743-R745 PolarHBondContact OD2-NH2 3.47Å
746	F	88	Confident	84.9	Confident	108 Å²	108	54.5 Å²	54.5	47%	0.474	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.1	174.4	174.7	-102.9	0	0	0	110.7	F740 D749	F740-F746 HydrophobicContact CD1-CB 4.18Å; F740-F746 HydrophobicContact CE1-CB 3.98Å; F740-F746 HydrophobicContact CE1-CD2 4.13Å; F740-F746 HydrophobicContact CZ-CD2 4.16Å; F746-D749 WeakPolarHBondContact CE2-OD1 3.47Å; F746-D749 HydrophobicContact CZ-CB 4.39Å; F746-D749 WeakPolarHBondContact CZ-OD1 3.48Å
747	L	89.7	Confident	82.9	Confident	31 Å²	31	57 Å²	57	16%	0.162	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-53.5	178.6	-62.6	179.2	0	0	0	112.4	E728 I739 C870 S873	E728-L747 HydrophobicContact CG-CD1 4.12Å; I739-L747 HydrophobicContact CB-CB 4.47Å; I739-L747 HydrophobicContact CG2-CB 4.44Å; I739-L747 HydrophobicContact CG2-CD1 4.18Å; I739-L747 WeakPolarHBondContact O-CB 3.2Å; I739-L747 PolarHBondContact O-N 3.17Å; L747-C870 HydrophobicContact CB-CB 4.39Å; L747-C870 HydrophobicContact CD1-CB 4.45Å; L747-S873 WeakPolarHBondContact O-CB 3.43Å; L747-S873 PolarHBondContact O-OG 3.35Å
748	S	89.2	Confident	80.3	Confident	19 Å²	19	61.9 Å²	61.9	13%	0.133	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	154.5	-172.2	-154.4	0	0	0	0	113.3	I739 S869	I739-S748 PolarHBondContact N-O 2.94Å; I739-S748 PolarHBondContact O-N 3.11Å; S748-S869 PolarHBondContact OG-O 3.36Å
749	D	89.1	Confident	77.8	Confident	65 Å²	65	63.5 Å²	63.5	35%	0.348	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.1	169	-87.8	1.7	0	0	0	109.2	I737 R738 F746	I737-D749 CarbonylContact O-C 3.58Å; I737-D749 WeakPolarHBondContact O-CA 3.2Å; R738-D749 VanDerWaalsContact CG-OD1 3.24Å; R738-D749 WeakPolarHBondContact CG-OD1 3.44Å; R738-D749 IonicContact NE-OD1 2.71Å; F746-D749 WeakPolarHBondContact CE2-OD1 3.47Å; F746-D749 HydrophobicContact CZ-CB 4.39Å; F746-D749 WeakPolarHBondContact CZ-OD1 3.48Å
750	L	89.6	Confident	74.9	Confident	6 Å²	6	71.2 Å²	71.2	3%	0.031	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.5	170.8	-48.1	176.9	0	0	0	110.5	C736 I737 I739 I846 W861 W866	C736-L750 WeakPolarHBondContact CA-O 3.23Å; C736-L750 WeakPolarHBondContact CB-O 3.41Å; I737-L750 HydrophobicContact CB-CB 4.12Å; I737-L750 PolarHBondContact N-O 2.84Å; I737-L750 PolarHBondContact O-N 2.97Å; I739-L750 HydrophobicContact CD1-CD1 3.94Å; I739-L750 HydrophobicContact CD1-CD2 4.36Å; I739-L750 HydrophobicContact CD1-CG 4.08Å; L750-I846 HydrophobicContact CD1-CD1 4.05Å; L750-W861 HydrophobicContact CB-CD2 4.46Å; L750-W861 HydrophobicContact CB-CZ2 3.75Å; L750-W861 HydrophobicContact CD1-CB 4.41Å; L750-W861 HydrophobicContact CD1-CD2 3.84Å; L750-W861 HydrophobicContact CD1-CE3 4.38Å; L750-W861 HydrophobicContact CD1-CG 3.83Å; L750-W866 HydrophobicContact CD1-CB 4.21Å
751	L	86.5	Confident	71.8	Confident	112 Å²	112	79.8 Å²	79.8	59%	0.586	43%	0.426	S	S	*	.			trans	-105.3	153.4	-178.5	-63.5	179.5	0	0	0	110.9	C736 W861	C736-L751 HydrophobicContact CB-CD2 3.9Å; L751-W861 WeakPolarHBondContact O-CZ2 3.41Å
752	P	82.1	Confident	68.7	Low	34 Å²	34	90.1 Å²	90.1	22%	0.221	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-61.6	149.9	176.2	27.5	-33.8	0	0	0	110.8	F822 Y850	P752-F822 HydrophobicContact CB-CE2 4.36Å; P752-F822 HydrophobicContact CB-CZ 3.8Å; P752-F822 HydrophobicContact CG-CE2 4.4Å; P752-F822 HydrophobicContact CG-CZ 4.3Å; P752-Y850 HydrophobicContact CB-CD2 4.02Å; P752-Y850 HydrophobicContact CB-CE1 4.49Å; P752-Y850 HydrophobicContact CB-CE2 3.56Å; P752-Y850 HydrophobicContact CG-CE2 3.87Å
753	P	80.8	Confident	65.7	Low	22 Å²	22	92.2 Å²	92.2	14%	0.143	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-64.4	143.1	179.7	26.7	-34.1	0	0	0	111.3	V859 P948 L950	P753-V859 HydrophobicContact CG-CG1 4.21Å; P753-V859 HydrophobicContact CG-CG2 4.38Å; P753-P948 HydrophobicContact CB-CG 4.38Å; P753-P948 WeakPolarHBondContact CB-O 3.29Å; P753-L950 HydrophobicContact CG-CB 3.92Å
754	N	69.1	Low	62.7	Low	109 Å²	109	99.9 Å²	99.9	58%	0.583	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-62.6	152.2	174	-68	-20	0	0	0	110.6
755	Q	61.1	Low	59.8	Low	86 Å²	86	105 Å²	105	40%	0.402	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-60.9	135	172.9	-68.2	-177	7	0	0	109.8	G757 D758	Q755-G757 VanDerWaalsContact C-N 3.3Å; Q755-G757 PolarHBondContact O-N 3.48Å; Q755-D758 HydrophobicContact CB-CB 4.41Å; Q755-D758 PolarHBondContact O-N 3.09Å
756	P	51.2	Low	56.9	Low	98 Å²	98	101.5 Å²	101.5	64%	0.636	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	92.4	172.8	24.1	-29.9	0	0	0	109.3
757	G	49	Very low	54.1	Low	60 Å²	60	102.4 Å²	102.4	62%	0.619	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	147.9	-26.5	-173.6	0	0	0	0	0	113.7	Q755 D759	Q755-G757 VanDerWaalsContact C-N 3.3Å; Q755-G757 PolarHBondContact O-N 3.48Å; G757-D759 VanDerWaalsContact C-N 3.34Å; G757-D759 PolarHBondContact O-N 2.91Å
758	D	38.1	Very low	51.1	Low	102 Å²	102	108.1 Å²	108.1	55%	0.545	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-80.5	-9.1	-176.3	-106	-10.7	0	0	0	114.4	Q755 H760	Q755-D758 HydrophobicContact CB-CB 4.41Å; Q755-D758 PolarHBondContact O-N 3.09Å; D758-H760 PolarHBondContact O-N 2.82Å
759	D	38.3	Very low	48.3	Very low	104 Å²	104	113.1 Å²	113.1	56%	0.556	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-65.5	-2.2	179.2	-92.8	-1.8	0	0	0	113	G757 K947	G757-D759 VanDerWaalsContact C-N 3.34Å; G757-D759 PolarHBondContact O-N 2.91Å; D759-K947 IonicContact OD2-NZ 3.36Å; D759-K947 PolarHBondContact OD2-NZ 3.45Å
760	H	33.7	Very low	45.4	Very low	161 Å²	161	115.5 Å²	115.5	75%	0.745	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-93.5	-0.8	-177.4	-85	-57.4	0	0	0	117.7	D758	D758-H760 PolarHBondContact O-N 2.82Å
761	F	29.3	Very low	42.4	Very low	185 Å²	185	127.2 Å²	127.2	81%	0.811	66%	0.661	S	S	*	*	S	Bend	trans	-131.1	37.8	-176.7	-82.4	-78.1	0	0	0	116.5
762	R	25.3	Very low	39.7	Very low	234 Å²	234	126.8 Å²	126.8	88%	0.883	67%	0.674	S	S	*	*			trans	-119.2	14.9	167.4	-79.8	-169.4	172	177.4	1.5	115.8	R764	R762-R764 PolarHBondContact O-N 2.97Å
763	V	27.5	Very low	37.2	Very low	123 Å²	123	130.6 Å²	130.6	75%	0.745	70%	0.701	S	S	*	*	S	Bend	trans	-76.2	114.3	160.1	-176.6	0	0	0	0	106.7	I765	V763-I765 VanDerWaalsContact C-N 3.28Å; V763-I765 PolarHBondContact O-N 3Å
764	R	23.4	Very low	34.5	Very low	246 Å²	246	136.5 Å²	136.5	93%	0.928	73%	0.731	S	S	*	*			trans	-59.3	88.4	175.1	-71.9	179.7	177.3	170.9	-0.3	109.1	R762 S766	R762-R764 PolarHBondContact O-N 2.97Å; R764-S766 PolarHBondContact O-N 2.93Å; R764-S766 VanDerWaalsContact O-N 3.14Å
765	I	26.1	Very low	32.5	Very low	126 Å²	126	139 Å²	139	65%	0.646	74%	0.744	S	S	*	*			trans	-75.4	103.9	167.2	-59.9	176	0	0	0	105.7	V763 T767 L768	V763-I765 VanDerWaalsContact C-N 3.28Å; V763-I765 PolarHBondContact O-N 3Å; I765-T767 PolarHBondContact O-N 2.85Å; I765-T767 VanDerWaalsContact O-N 3.14Å; I765-L768 HydrophobicContact CG2-CD1 4.33Å
766	S	28.7	Very low	30.9	Very low	100 Å²	100	141 Å²	141	70%	0.699	76%	0.763	S	S	*	*			trans	-50.5	114.4	169.7	48.1	0	0	0	0	109.7	R764 L768	R764-S766 PolarHBondContact O-N 2.93Å; R764-S766 VanDerWaalsContact O-N 3.14Å; S766-L768 PolarHBondContact O-N 3.18Å
767	T	29.4	Very low	29.7	Very low	128 Å²	128	140.6 Å²	140.6	79%	0.785	76%	0.762	S	S	*	*			trans	19.5	96.4	157.4	52.5	0	0	0	0	115.8	I765	I765-T767 PolarHBondContact O-N 2.85Å; I765-T767 VanDerWaalsContact O-N 3.14Å
768	L	26.5	Very low	28.6	Very low	151 Å²	151	148.9 Å²	148.9	79%	0.791	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-58	132.4	158.8	-90.4	92	0	0	0	109.2	I765 S766	I765-L768 HydrophobicContact CG2-CD1 4.33Å; S766-L768 PolarHBondContact O-N 3.18Å
769	P	30.2	Very low	28	Very low	124 Å²	124	153.7 Å²	153.7	81%	0.805	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.6	138.2	174.8	27.6	-30.8	0	0	0	110.4
770	S	28.1	Very low	27.4	Very low	114 Å²	114	156.7 Å²	156.7	80%	0.797	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-61.6	127.6	-176.8	49.6	0	0	0	0	113.3
771	R	25.8	Very low	27.1	Very low	252 Å²	252	153.7 Å²	153.7	95%	0.951	81%	0.812	S	S	*	*			trans	38.4	90.3	148.8	-66.9	175.8	98.4	167.9	4.9	116.2
772	A	30.9	Very low	26.9	Very low	103 Å²	103	153.5 Å²	153.5	85%	0.851	82%	0.818	S	S	*	*			trans	-100.8	140.7	138.5	0	0	0	0	0	108.3
773	S	28.1	Very low	26.7	Very low	114 Å²	114	149.4 Å²	149.4	80%	0.797	81%	0.814	S	S	*	*			trans	-59.5	152.8	-167.4	44.4	0	0	0	0	115.6
774	L	25.7	Very low	26.6	Very low	147 Å²	147	150.4 Å²	150.4	77%	0.77	82%	0.815	S	S	*	*			trans	-26.8	133.9	167.6	-76.4	69	0	0	0	115.1
775	D	26.6	Very low	26.7	Very low	161 Å²	161	143.5 Å²	143.5	86%	0.861	80%	0.804	S	S	*	*			trans	-135.4	104.2	134.2	-108.2	-27.2	0	0	0	109.7	S777	D775-S777 PolarHBondContact O-N 3.34Å
776	T	26.1	Very low	26.7	Very low	129 Å²	129	145.3 Å²	145.3	79%	0.791	81%	0.81	S	S	*	*			trans	-81.1	88.6	176.3	7.8	0	0	0	0	108.9
777	S	26.4	Very low	26.5	Very low	89 Å²	89	147.2 Å²	147.2	62%	0.622	81%	0.812	S	S	*	*			trans	-162.3	51.8	167.4	68.3	0	0	0	0	114.1	D775	D775-S777 PolarHBondContact O-N 3.34Å
778	Y	26.3	Very low	26.4	Very low	233 Å²	233	148.2 Å²	148.2	91%	0.914	81%	0.813	S	S	*	*			trans	-148.7	32.3	169.2	-105.4	-79.3	0	0	0	114.1
779	F	25.7	Very low	26.7	Very low	204 Å²	204	146 Å²	146	90%	0.895	81%	0.808	S	S	*	*			trans	-105.7	95	160.5	-98.9	-87.7	0	0	0	107.3
780	N	25.2	Very low	26.4	Very low	167 Å²	167	147.7 Å²	147.7	89%	0.893	81%	0.81	S	S	*	*			trans	159.5	84	152.6	-81.2	-20	0	0	0	110
781	A	27	Very low	26.4	Very low	98 Å²	98	148 Å²	148	81%	0.81	81%	0.812	S	S	*	*			trans	-179.4	72	151.9	0	0	0	0	0	109.8
782	L	25.8	Very low	26.3	Very low	180 Å²	180	144.5 Å²	144.5	94%	0.942	81%	0.806	S	S	*	*			trans	-133.3	64.8	163.1	-100.2	142.6	0	0	0	107.5
783	N	22.1	Very low	26	Very low	148 Å²	148	150.3 Å²	150.3	79%	0.791	81%	0.808	S	S	*	*			trans	-133.9	130.6	158.9	-97.3	-16.8	0	0	0	106.8
784	N	24.9	Very low	25.9	Very low	145 Å²	145	152.8 Å²	152.8	78%	0.775	81%	0.81	S	S	*	*			trans	95.3	111.4	165.2	-55.8	-22.9	0	0	0	118.5
785	S	25	Very low	25.9	Very low	100 Å²	100	152.9 Å²	152.9	70%	0.699	81%	0.812	S	S	*	*				84.1	114.1	124.2	64.9	0	0	0	0	120.2
786	H	25.3	Very low	25.9	Very low	164 Å²	164	150.1 Å²	150.1	76%	0.759	81%	0.811	S	S	*	*				64.5	114.4	129.6	-76.3	-73.5	0	0	0	120.1
787	D	25.1	Very low	26	Very low	140 Å²	140	147.1 Å²	147.1	75%	0.749	81%	0.806	S	S	*	*			trans	44.9	95.7	130.9	-58.6	-41.7	0	0	0	117.1
788	N	27.6	Very low	25.8	Very low	150 Å²	150	155.1 Å²	155.1	80%	0.802	82%	0.822	S	S	*	*			trans	-148.2	107.7	141.1	-151.8	-3.3	0	0	0	111.1	N790	N788-N790 PolarHBondContact O-N 2.52Å
789	P	32.5	Very low	25.8	Very low	105 Å²	105	152.2 Å²	152.2	68%	0.682	82%	0.822	S	S	*	*			trans	-89.2	97.1	175.3	32.9	-24.3	0	0	0	108
790	N	24.5	Very low	25.7	Very low	159 Å²	159	147.4 Å²	147.4	85%	0.85	81%	0.814	S	S	*	*			trans	176.2	90.7	156.5	-87.2	-23.3	0	0	0	108.4	N788	N788-N790 PolarHBondContact O-N 2.52Å
791	S	27.9	Very low	25.8	Very low	120 Å²	120	148 Å²	148	84%	0.839	82%	0.815	S	S	*	*			trans	-134	100.4	164.2	173.7	0	0	0	0	107.6
792	E	24.1	Very low	25.7	Very low	179 Å²	179	147.3 Å²	147.3	84%	0.836	81%	0.805	S	S	*	*			trans	-59.3	149.1	178.8	-69.7	176.7	141.6	0	0	112.5	I794	E792-I794 PolarHBondContact O-N 3.45Å
793	Y	24	Very low	25.8	Very low	225 Å²	225	148 Å²	148	88%	0.882	80%	0.804	S	S	*	*			trans	-55.9	112	-178	-80.9	-104.5	0	0	0	112.7	N795	Y793-N795 PolarHBondContact O-N 2.89Å
794	I	26.4	Very low	26	Very low	165 Å²	165	149 Å²	149	85%	0.846	81%	0.807	S	S	*	*			trans	-83.1	106.4	163.8	-63.8	178.7	0	0	0	108.3	E792 A796	E792-I794 PolarHBondContact O-N 3.45Å; I794-A796 PolarHBondContact O-N 2.86Å
795	N	24.6	Very low	25.9	Very low	150 Å²	150	149 Å²	149	80%	0.802	81%	0.806	S	S	*	*			trans	-58.9	109.5	171.6	-87.1	-42.9	0	0	0	111	Y793 G797	Y793-N795 PolarHBondContact O-N 2.89Å; N795-G797 PolarHBondContact O-N 3.42Å
796	A	28.2	Very low	25.9	Very low	102 Å²	102	152.2 Å²	152.2	84%	0.843	81%	0.81	S	S	*	*			trans	-71.2	114.8	168.8	0	0	0	0	0	110	I794	I794-A796 PolarHBondContact O-N 2.86Å
797	G	27.1	Very low	25.9	Very low	67 Å²	67	150.5 Å²	150.5	69%	0.691	82%	0.816	S	S	*	*			trans	-60.4	142.2	-177.6	0	0	0	0	0	114.4	N795 L799	N795-G797 PolarHBondContact O-N 3.42Å; G797-L799 PolarHBondContact O-N 2.69Å
798	R	23.2	Very low	25.9	Very low	257 Å²	257	150 Å²	150	97%	0.97	82%	0.824	S	S	*	*			trans	-57.3	108.2	176.2	-158	-177.9	-163.2	-168.1	3.8	111.2
799	L	26.5	Very low	25.8	Very low	171 Å²	171	146.1 Å²	146.1	90%	0.895	82%	0.819	S	S	*	*			trans	-98.5	129.1	169.1	-76.6	166.4	0	0	0	110.2	G797	G797-L799 PolarHBondContact O-N 2.69Å
800	S	23.9	Very low	25.8	Very low	104 Å²	104	147.1 Å²	147.1	73%	0.727	83%	0.826	S	S	*	*			trans	-78.8	141.4	-170.9	56.2	0	0	0	0	113.3	S802	S800-S802 PolarHBondContact O-N 3.01Å; S800-S802 VanDerWaalsContact O-N 3.12Å
801	L	26.6	Very low	25.9	Very low	178 Å²	178	145.1 Å²	145.1	93%	0.932	82%	0.824	S	S	*	*	S	Bend	trans	-86.1	61.3	-170.2	-119.5	155.8	0	0	0	112.3
802	S	24.9	Very low	26	Very low	85 Å²	85	148.9 Å²	148.9	59%	0.594	83%	0.825	S	S	*	*			trans	-149.1	83.3	175.3	59.7	0	0	0	0	111.2	S800	S800-S802 PolarHBondContact O-N 3.01Å; S800-S802 VanDerWaalsContact O-N 3.12Å
803	E	26.9	Very low	26.1	Very low	195 Å²	195	146 Å²	146	91%	0.911	82%	0.824	S	S	*	*			trans	173	69.6	155.1	-98.3	162.6	-161.7	0	0	109.8
804	I	26.8	Very low	26.5	Very low	168 Å²	168	146.2 Å²	146.2	86%	0.862	82%	0.824	S	S	*	*			trans	-134.2	83.9	165.2	-54.2	178.7	0	0	0	107.8
805	L	22.3	Very low	26.7	Very low	144 Å²	144	146.3 Å²	146.3	75%	0.754	82%	0.824	S	S	*	*			trans	-125.1	124.9	167.4	-89.3	161.6	0	0	0	108.8
806	H	25.3	Very low	27	Very low	169 Å²	169	144.2 Å²	144.2	78%	0.782	82%	0.819	S	S	*	*			trans	71.7	102.2	160.1	-51.7	-57.5	0	0	0	120
807	S	25.9	Very low	27.5	Very low	128 Å²	128	145 Å²	145	90%	0.895	82%	0.815	S	S	*	*				-173.6	118.5	117.6	47.6	0	0	0	0	111.6
808	S	24.5	Very low	28.5	Very low	130 Å²	130	145 Å²	145	91%	0.909	81%	0.805	S	S	*	*			trans	-101.4	122.5	177.8	37.9	0	0	0	0	109.9
809	G	26.2	Very low	30.6	Very low	67 Å²	67	143.2 Å²	143.2	69%	0.691	80%	0.798	S	S	*	*			trans	-162.9	121.9	172.7	0	0	0	0	0	111.3	S811	G809-S811 PolarHBondContact O-N 3.4Å
810	P	32.5	Very low	33.1	Very low	127 Å²	127	135.4 Å²	135.4	83%	0.825	76%	0.759	S	S	*	*			trans	-91.1	107.7	-167.3	33.6	-30.5	0	0	0	112.2
811	S	27.3	Very low	36.2	Very low	116 Å²	116	135.1 Å²	135.1	81%	0.811	75%	0.746	S	S	*	*			trans	-87.2	111.5	169.3	50.7	0	0	0	0	110.7	G809 S813	G809-S811 PolarHBondContact O-N 3.4Å; S811-S813 PolarHBondContact O-N 3.49Å
812	K	29	Very low	39.4	Very low	199 Å²	199	126.9 Å²	126.9	87%	0.865	70%	0.703	S	S	*	*			trans	-83.1	101.9	175.9	-70.6	175.3	178.7	172.5	0	110.1
813	S	26.4	Very low	42.6	Very low	118 Å²	118	123.1 Å²	123.1	83%	0.825	68%	0.678	S	S	*	*			trans	-105	109.1	155.5	65.4	0	0	0	0	108.2	S811	S811-S813 PolarHBondContact O-N 3.49Å
814	R	32.7	Very low	45.7	Very low	230 Å²	230	114.1 Å²	114.1	87%	0.868	64%	0.637	S	S	*	*			trans	-121.2	100	175.6	-90.4	-173.3	179.6	-164.9	-0.3	108.1
815	I	29.4	Very low	49	Very low	168 Å²	168	106.6 Å²	106.6	86%	0.862	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-75.3	117.6	151.7	-59.8	172.4	0	0	0	104.8
816	P	32	Very low	52.5	Low	106 Å²	106	100.3 Å²	100.3	69%	0.688	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-73.2	137.4	-174.3	-3.7	18.4	0	0	0	110.1	S818	P816-S818 PolarHBondContact O-N 3.3Å
817	P	38	Very low	55.7	Low	117 Å²	117	93.1 Å²	93.1	76%	0.76	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-61.3	139	175.8	26	-32.1	0	0	0	109.7	R819	P817-R819 PolarHBondContact O-N 2.99Å
818	S	48	Very low	58.8	Low	67 Å²	67	87 Å²	87	47%	0.469	49%	0.491	S	S	.	.			trans	-52.3	106.7	173.2	52.6	0	0	0	0	110	P816 G820	P816-S818 PolarHBondContact O-N 3.3Å; S818-G820 PolarHBondContact O-N 3.35Å
819	R	66.9	Low	61.2	Low	220 Å²	220	83.7 Å²	83.7	83%	0.83	47%	0.465	S	S	*	.			trans	-69.8	93	175.6	-91.1	-179.7	165.8	167.1	-5.3	109.8	P817	P817-R819 PolarHBondContact O-N 2.99Å
820	G	80.3	Confident	63.1	Low	7 Å²	7	82.7 Å²	82.7	7%	0.072	45%	0.45	C	S	.	.			trans	-71.9	169.3	159	0	0	0	0	0	111.4	S818 Y850 S851	S818-G820 PolarHBondContact O-N 3.35Å; G820-Y850 WeakPolarHBondContact CA-OH 3.37Å; G820-S851 CarbonylContact C-O 3.49Å; G820-S851 VanDerWaalsContact CA-O 3.29Å; G820-S851 WeakPolarHBondContact CA-O 3.44Å
821	Q	89	Confident	64.6	Low	98 Å²	98	78.7 Å²	78.7	46%	0.458	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.9	-178.7	-64.5	-177.3	-6.6	0	0	111.2	G734 Y850 S851	G734-Q821 VanDerWaalsContact O-CA 3.28Å; G734-Q821 WeakPolarHBondContact O-CA 3.44Å; Q821-Y850 WeakPolarHBondContact O-CA 3.4Å; Q821-S851 PolarHBondContact N-O 3.41Å; Q821-S851 PolarHBondContact O-N 3.49Å
822	F	92.7	Very high	65.9	Low	5 Å²	5	78.3 Å²	78.3	2%	0.022	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.7	166.1	-66.1	-77.8	0	0	0	110.8	T719 S732 I737 P752 A848 T849 Y850 V859 W861	T719-F822 PolarHBondContact OG1-O 2.96Å; S732-F822 WeakPolarHBondContact OG-CB 3.26Å; I737-F822 HydrophobicContact CD1-CB 4.09Å; I737-F822 HydrophobicContact CD1-CD1 3.93Å; I737-F822 HydrophobicContact CD1-CD2 4.14Å; I737-F822 HydrophobicContact CD1-CE1 4.38Å; I737-F822 HydrophobicContact CD1-CG 3.79Å; I737-F822 HydrophobicContact CG1-CD1 4.39Å; I737-F822 HydrophobicContact CG1-CE1 4.35Å; I737-F822 HydrophobicContact CG1-CE2 4.48Å; I737-F822 HydrophobicContact CG1-CG 4.47Å; I737-F822 HydrophobicContact CG1-CZ 4.39Å; P752-F822 HydrophobicContact CB-CE2 4.36Å; P752-F822 HydrophobicContact CB-CZ 3.8Å; P752-F822 HydrophobicContact CG-CE2 4.4Å; P752-F822 HydrophobicContact CG-CZ 4.3Å; F822-A848 HydrophobicContact CD1-CB 3.77Å; F822-A848 HydrophobicContact CE1-CB 4.17Å; F822-T849 CarbonylContact C-O 3.59Å; F822-T849 VanDerWaalsContact CA-O 3.28Å; F822-T849 WeakPolarHBondContact CA-O 3.42Å; F822-Y850 AromaticContact CD1-CD2 3.87Å; F822-Y850 HydrophobicContact CD1-CD2 3.87Å; F822-Y850 HydrophobicContact CD1-CG 4.43Å; F822-Y850 HydrophobicContact CD2-CD2 4.4Å; F822-Y850 AromaticContact CE1-CD2 3.7Å; F822-Y850 HydrophobicContact CE1-CD2 3.7Å; F822-Y850 HydrophobicContact CE1-CG 4.23Å; F822-Y850 HydrophobicContact CE2-CD2 4.25Å; F822-Y850 HydrophobicContact CG-CD2 4.22Å; F822-Y850 AromaticContact CZ-CD2 3.91Å; F822-Y850 HydrophobicContact CZ-CD2 3.91Å; F822-Y850 HydrophobicContact CZ-CE2 4.45Å; F822-V859 HydrophobicContact CE1-CB 4.36Å; F822-V859 HydrophobicContact CE1-CG2 4Å; F822-W861 AromaticContact CE1-CH2 3.67Å; F822-W861 HydrophobicContact CE1-CH2 3.67Å; F822-W861 HydrophobicContact CE1-CZ3 4.47Å; F822-W861 AromaticContact CZ-CH2 3.8Å; F822-W861 HydrophobicContact CZ-CH2 3.8Å; F822-W861 HydrophobicContact CZ-CZ2 4.34Å
823	G	92.2	Very high	66.9	Low	7 Å²	7	77 Å²	77	7%	0.072	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-114.1	170.8	0	0	0	0	0	110	T719 S732 T849 A961	T719-G823 CarbonylContact C-O 3.59Å; T719-G823 WeakPolarHBondContact CB-O 3.43Å; T719-G823 PolarHBondContact OG1-O 3.21Å; S732-G823 VanDerWaalsContact CB-O 3.26Å; S732-G823 WeakPolarHBondContact CB-O 3.38Å; S732-G823 PolarHBondContact OG-O 3.47Å; G823-T849 WeakPolarHBondContact CA-OG1 3.28Å; G823-T849 PolarHBondContact N-O 3.36Å; G823-A961 CarbonylContact C-O 3.56Å
824	G	92.9	Very high	67.6	Low	5 Å²	5	74.7 Å²	74.7	5%	0.052	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	167.1	177	0	0	0	0	0	112.9	A848 T849 A961 L963	G824-A848 VanDerWaalsContact O-CA 3.31Å; G824-A848 WeakPolarHBondContact O-CA 3.49Å; G824-T849 PolarHBondContact N-OG1 3.37Å; G824-T849 PolarHBondContact O-N 3.12Å; G824-T849 VanDerWaalsContact O-N 3.1Å; G824-T849 PolarHBondContact O-OG1 2.99Å; G824-A961 WeakPolarHBondContact CA-O 3.49Å; G824-A961 PolarHBondContact N-O 3Å; G824-L963 WeakPolarHBondContact O-CD2 3.47Å
825	V	96.1	Very high	68	Low	10 Å²	10	69 Å²	69	6%	0.061	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.4	172	62.4	0	0	0	0	109.2	C722 I730 I737 I846 L847 A848	C722-V825 HydrophobicContact CB-CG1 4.35Å; I730-V825 HydrophobicContact CG2-CG2 3.72Å; I737-V825 HydrophobicContact CG2-CG2 4.48Å; V825-I846 HydrophobicContact CG2-CG2 3.87Å; V825-L847 CarbonylContact C-O 3.6Å; V825-L847 VanDerWaalsContact CA-O 3.28Å; V825-L847 WeakPolarHBondContact CA-O 3.47Å; V825-L847 WeakPolarHBondContact CG2-O 3.47Å; V825-A848 HydrophobicContact CB-CB 4.4Å; V825-A848 HydrophobicContact CG2-CB 4.35Å
826	S	95.6	Very high	68.5	Low	12 Å²	12	67.6 Å²	67.6	8%	0.084	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.7	176.2	-171	0	0	0	0	109.7	L847 T965	S826-L847 PolarHBondContact N-O 3.11Å; S826-L847 PolarHBondContact O-N 3.46Å; S826-T965 PolarHBondContact OG-N 2.91Å; S826-T965 PolarHBondContact OG-OG1 3.5Å
827	F	93.2	Very high	68.8	Low	18 Å²	18	65.4 Å²	65.4	8%	0.079	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.7	176.9	-170.6	-101.7	0	0	0	108.9	A724 D725 I730 K844 I846 W866 T965	A724-F827 HydrophobicContact CB-CD1 4.27Å; A724-F827 HydrophobicContact CB-CD2 3.91Å; A724-F827 HydrophobicContact CB-CE1 4.05Å; A724-F827 HydrophobicContact CB-CE2 3.68Å; A724-F827 HydrophobicContact CB-CG 4.2Å; A724-F827 HydrophobicContact CB-CZ 3.74Å; D725-F827 HydrophobicContact CB-CE1 4.25Å; I730-F827 HydrophobicContact CD1-CD2 3.91Å; F827-K844 HydrophobicContact CE1-CB 3.91Å; F827-K844 HydrophobicContact CE1-CD 3.93Å; F827-K844 HydrophobicContact CE1-CG 4.43Å; F827-K844 HydrophobicContact CE2-CB 4.34Å; F827-K844 HydrophobicContact CZ-CB 3.55Å; F827-K844 HydrophobicContact CZ-CD 4.06Å; F827-K844 HydrophobicContact CZ-CG 4.43Å; F827-I846 HydrophobicContact CD2-CG1 4Å; F827-I846 HydrophobicContact CE2-CG1 4.22Å; F827-W866 HydrophobicContact CE2-CH2 4.3Å; F827-W866 AromaticContact CE2-CZ2 3.64Å; F827-W866 HydrophobicContact CE2-CZ2 3.64Å; F827-W866 AromaticContact CZ-CZ2 3.92Å; F827-W866 HydrophobicContact CZ-CZ2 3.92Å; F827-T965 PolarHBondContact O-OG1 3.16Å; F827-T965 VanDerWaalsContact O-OG1 3.13Å
828	S	89.4	Confident	69	Low	1 Å²	1	63.8 Å²	63.8	1%	0.007	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-84.1	140.1	-178.9	71.8	0	0	0	0	111.5	C845 R970 Y987	S828-C845 PolarHBondContact N-O 2.82Å; S828-C845 PolarHBondContact OG-N 3.32Å; S828-C845 PolarHBondContact OG-O 3.42Å; S828-R970 PolarHBondContact OG-NH1 2.96Å; S828-Y987 WeakPolarHBondContact CB-OH 3.3Å
829	T	74.9	Confident	69	Low	60 Å²	60	65.7 Å²	65.7	37%	0.368	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-76	142.9	162.2	54.2	0	0	0	0	110.2
830	A	67.2	Low	68.7	Low	45 Å²	45	58.2 Å²	58.2	37%	0.372	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-66	135.6	170	0	0	0	0	0	109.3	T832 K844	A830-T832 PolarHBondContact O-N 3.23Å; A830-K844 HydrophobicContact CB-CG 4.27Å
831	P	63.5	Low	68	Low	44 Å²	44	63.6 Å²	63.6	29%	0.286	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-57.7	135.4	172.9	-19.1	30	0	0	0	109.8	E833	P831-E833 PolarHBondContact O-N 2.99Å
832	T	55.4	Low	67.4	Low	108 Å²	108	59.6 Å²	59.6	66%	0.663	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-56	132.8	169.7	48.7	0	0	0	0	108.9	A830 S834	A830-T832 PolarHBondContact O-N 3.23Å; T832-S834 PolarHBondContact O-N 2.94Å
833	E	48.6	Very low	67	Low	170 Å²	170	60 Å²	60	79%	0.794	37%	0.368	S	S	*	.			trans	-41	112.2	-176.5	-69.5	-177.8	164.8	0	0	111	P831	P831-E833 PolarHBondContact O-N 2.99Å
834	S	42.1	Very low	66.8	Low	70 Å²	70	62.8 Å²	62.8	49%	0.49	38%	0.378	S	S	.	.			trans	-61.1	142.1	165.6	69.8	0	0	0	0	107.5	T832 N836 G837	T832-S834 PolarHBondContact O-N 2.94Å; S834-N836 PolarHBondContact O-N 2.62Å; S834-G837 PolarHBondContact O-N 2.87Å
835	A	41.5	Very low	66.7	Low	110 Å²	110	62.6 Å²	62.6	91%	0.909	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-10.5	-177.6	0	0	0	0	0	114.9
836	N	39.9	Very low	66.7	Low	140 Å²	140	62.1 Å²	62.1	75%	0.749	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	8.5	180	-69	-4.4	0	0	0	114.8	S834 Q838	S834-N836 PolarHBondContact O-N 2.62Å; N836-Q838 PolarHBondContact O-N 2.96Å
837	G	37	Very low	66.7	Low	60 Å²	60	61.5 Å²	61.5	62%	0.619	37%	0.368	S	S	*	.			trans	64.3	6.4	167.2	0	0	0	0	0	116.5	S834 T839	S834-G837 PolarHBondContact O-N 2.87Å; G837-T839 PolarHBondContact O-N 2.73Å
838	Q	42.8	Very low	66.8	Low	83 Å²	83	60.7 Å²	60.7	39%	0.388	37%	0.365	S	S	.	.			trans	-75.2	92.5	169.4	-80.3	-177.6	-15.3	0	0	108.5	N836 D840	N836-Q838 PolarHBondContact O-N 2.96Å; Q838-D840 PolarHBondContact O-N 3.02Å
839	T	47.2	Very low	67.1	Low	107 Å²	107	60.6 Å²	60.6	66%	0.656	36%	0.364	S	S	*	.			trans	-65.9	120.1	162.6	48	0	0	0	0	107.8	G837 K841	G837-T839 PolarHBondContact O-N 2.73Å; T839-K841 PolarHBondContact O-N 3.44Å
840	D	60.1	Low	67.9	Low	62 Å²	62	58.5 Å²	58.5	33%	0.332	35%	0.35	S	S	.	.			trans	-63.4	139.8	167.5	76.9	39.6	0	0	0	108.5	Q838 L842 G843 R970	Q838-D840 PolarHBondContact O-N 3.02Å; D840-L842 PolarHBondContact O-N 3.42Å; D840-L842 PolarHBondContact OD1-N 3.05Å; D840-G843 PolarHBondContact OD1-N 3.48Å; D840-G843 VanDerWaalsContact OD1-N 3.11Å; D840-R970 IonicContact OD1-CZ 2.91Å; D840-R970 IonicContact OD1-NH2 2.77Å; D840-R970 PolarHBondContact OD1-NH2 3.23Å; D840-R970 IonicContact OD2-CZ 3.7Å; D840-R970 IonicContact OD2-NE 3.26Å; D840-R970 PolarHBondContact OD2-NE 3.22Å; D840-R970 IonicContact OD2-NH2 3.82Å; D840-R970 PolarHBondContact OD2-NH2 3.07Å
841	K	65.9	Low	69	Low	120 Å²	120	57 Å²	57	52%	0.522	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	3.9	-178.2	-66.8	173.4	-178.3	158.3	0	112.4	D472 T839 L945	D472-K841 IonicContact OD2-NZ 3.57Å; T839-K841 PolarHBondContact O-N 3.44Å; K841-L945 HydrophobicContact CB-CD1 4.49Å; K841-L945 HydrophobicContact CD-CD1 3.93Å
842	L	76.7	Confident	70	Confident	14 Å²	14	56.1 Å²	56.1	7%	0.073	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-33.9	-174.7	-72.6	174.3	0	0	0	111.9	D840 C845 P862 E863 Y949 A988	D840-L842 PolarHBondContact O-N 3.42Å; D840-L842 PolarHBondContact OD1-N 3.05Å; L842-C845 PolarHBondContact O-SG 3.01Å; L842-P862 HydrophobicContact CD2-CB 4.06Å; L842-P862 HydrophobicContact CD2-CG 3.77Å; L842-E863 PolarHBondContact O-N 3.1Å; L842-Y949 HydrophobicContact CD2-CE1 4.23Å; L842-A988 HydrophobicContact CD1-CB 3.32Å
843	G	83.6	Confident	71.2	Confident	14 Å²	14	62.2 Å²	62.2	14%	0.144	34%	0.34	C	S	.	.			trans	61.4	-148.5	-179.6	0	0	0	0	0	112.5	D840 C845 E863 R970	D840-G843 PolarHBondContact OD1-N 3.48Å; D840-G843 VanDerWaalsContact OD1-N 3.11Å; G843-C845 PolarHBondContact O-N 3.08Å; G843-E863 VanDerWaalsContact CA-OE2 3.22Å; G843-E863 WeakPolarHBondContact CA-OE2 3.43Å; G843-R970 PolarHBondContact O-NH1 3.02Å; G843-R970 PolarHBondContact O-NH2 2.65Å
844	K	88.6	Confident	72.5	Confident	66 Å²	66	62 Å²	62	29%	0.287	34%	0.339	S	S	.	.	S	Bend	trans	-79.7	106.5	174.3	-56.2	-174.3	-175.7	-166.5	0	111	D725 F827 A830 E863 W866	D725-K844 WeakPolarHBondContact OD2-CE 3.43Å; D725-K844 IonicContact OD2-NZ 2.83Å; D725-K844 PolarHBondContact OD2-NZ 3.13Å; F827-K844 HydrophobicContact CE1-CB 3.91Å; F827-K844 HydrophobicContact CE1-CD 3.93Å; F827-K844 HydrophobicContact CE1-CG 4.43Å; F827-K844 HydrophobicContact CE2-CB 4.34Å; F827-K844 HydrophobicContact CZ-CB 3.55Å; F827-K844 HydrophobicContact CZ-CD 4.06Å; F827-K844 HydrophobicContact CZ-CG 4.43Å; A830-K844 HydrophobicContact CB-CG 4.27Å; K844-E863 PolarHBondContact N-OE2 2.8Å; K844-E863 WeakPolarHBondContact O-CA 3.38Å; K844-E863 WeakPolarHBondContact O-CB 3.29Å; K844-W866 PolarHBondContact O-NE1 2.78Å
845	C	91.7	Very high	74.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.322	C	S	.	.			trans	-91.1	150.2	-177.5	-53.9	0	0	0	0	112.7	S828 L842 G843 L847 V860 W861	S828-C845 PolarHBondContact N-O 2.82Å; S828-C845 PolarHBondContact OG-N 3.32Å; S828-C845 PolarHBondContact OG-O 3.42Å; L842-C845 PolarHBondContact O-SG 3.01Å; G843-C845 PolarHBondContact O-N 3.08Å; C845-L847 HydrophobicContact CB-CD1 3.76Å; C845-V860 HydrophobicContact CB-CG1 3.98Å; C845-W861 VanDerWaalsContact CA-O 3.23Å; C845-W861 WeakPolarHBondContact CA-O 3.39Å; C845-W861 WeakPolarHBondContact CB-O 3.47Å
846	I	94.9	Very high	76.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.5	158.6	-59.7	176.7	0	0	0	107.2	I730 I739 L750 V825 F827 W861 W866	I730-I846 HydrophobicContact CD1-CD1 3.72Å; I730-I846 HydrophobicContact CD1-CG1 3.83Å; I730-I846 HydrophobicContact CG1-CD1 4.21Å; I730-I846 HydrophobicContact CG2-CD1 4.49Å; I730-I846 HydrophobicContact CG2-CG2 4.17Å; I739-I846 HydrophobicContact CD1-CD1 3.81Å; I739-I846 HydrophobicContact CG1-CD1 4.45Å; L750-I846 HydrophobicContact CD1-CD1 4.05Å; V825-I846 HydrophobicContact CG2-CG2 3.87Å; F827-I846 HydrophobicContact CD2-CG1 4Å; F827-I846 HydrophobicContact CE2-CG1 4.22Å; I846-W861 HydrophobicContact CB-CB 4.32Å; I846-W861 HydrophobicContact CB-CE3 4.44Å; I846-W861 HydrophobicContact CG2-CE3 4.23Å; I846-W861 PolarHBondContact N-O 3.39Å; I846-W861 PolarHBondContact O-N 3.4Å; I846-W866 HydrophobicContact CD1-CB 3.86Å; I846-W866 HydrophobicContact CD1-CD2 3.72Å; I846-W866 HydrophobicContact CD1-CE3 4.04Å; I846-W866 HydrophobicContact CD1-CG 3.63Å; I846-W866 HydrophobicContact CG1-CD2 4.15Å; I846-W866 HydrophobicContact CG1-CG 3.97Å
847	L	95.7	Very high	79	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.1	176.2	-64.2	86.5	0	0	0	109.4	V825 S826 C845 V858 V859 V860 L963 T965 Y987	V825-L847 CarbonylContact C-O 3.6Å; V825-L847 VanDerWaalsContact CA-O 3.28Å; V825-L847 WeakPolarHBondContact CA-O 3.47Å; V825-L847 WeakPolarHBondContact CG2-O 3.47Å; S826-L847 PolarHBondContact N-O 3.11Å; S826-L847 PolarHBondContact O-N 3.46Å; C845-L847 HydrophobicContact CB-CD1 3.76Å; L847-V858 HydrophobicContact CB-CG1 3.94Å; L847-V858 HydrophobicContact CD2-CG1 3.97Å; L847-V858 HydrophobicContact CG-CG1 4.39Å; L847-V859 WeakPolarHBondContact CA-O 3.16Å; L847-V860 HydrophobicContact CD2-CG2 4.32Å; L847-V860 HydrophobicContact CG-CG2 4.4Å; L847-L963 HydrophobicContact CB-CD1 3.62Å; L847-T965 HydrophobicContact CD1-CG2 3.74Å; L847-T965 HydrophobicContact CD2-CG2 4.09Å; L847-T965 HydrophobicContact CG-CG2 4.42Å; L847-Y987 HydrophobicContact CD2-CD1 3.63Å; L847-Y987 HydrophobicContact CD2-CD2 3.83Å; L847-Y987 HydrophobicContact CD2-CE1 3.81Å; L847-Y987 HydrophobicContact CD2-CE2 3.99Å; L847-Y987 HydrophobicContact CD2-CG 3.62Å
848	A	95.7	Very high	81.7	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.7	173	0	0	0	0	0	111.1	I737 F822 G824 V825 V858 V859 W861	I737-A848 HydrophobicContact CD1-CB 3.65Å; I737-A848 HydrophobicContact CG1-CB 4.09Å; F822-A848 HydrophobicContact CD1-CB 3.77Å; F822-A848 HydrophobicContact CE1-CB 4.17Å; G824-A848 VanDerWaalsContact O-CA 3.31Å; G824-A848 WeakPolarHBondContact O-CA 3.49Å; V825-A848 HydrophobicContact CB-CB 4.4Å; V825-A848 HydrophobicContact CG2-CB 4.35Å; A848-V858 CarbonylContact O-C 3.57Å; A848-V858 WeakPolarHBondContact O-CA 3.48Å; A848-V859 PolarHBondContact N-O 3.08Å; A848-V859 PolarHBondContact O-N 3.35Å; A848-W861 HydrophobicContact CB-CH2 4.47Å; A848-W861 HydrophobicContact CB-CZ3 3.92Å
849	T	94.9	Very high	84.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137	171.4	48.9	0	0	0	0	109.8	F822 G823 G824 G857 V858 L960 L963 V974	F822-T849 CarbonylContact C-O 3.59Å; F822-T849 VanDerWaalsContact CA-O 3.28Å; F822-T849 WeakPolarHBondContact CA-O 3.42Å; G823-T849 WeakPolarHBondContact CA-OG1 3.28Å; G823-T849 PolarHBondContact N-O 3.36Å; G824-T849 PolarHBondContact N-OG1 3.37Å; G824-T849 PolarHBondContact O-N 3.12Å; G824-T849 VanDerWaalsContact O-N 3.1Å; G824-T849 PolarHBondContact O-OG1 2.99Å; T849-G857 WeakPolarHBondContact CA-O 3.46Å; T849-V858 HydrophobicContact CG2-CG2 4.31Å; T849-L960 VanDerWaalsContact CB-CB 3.49Å; T849-L960 HydrophobicContact CG2-CB 3.7Å; T849-L960 HydrophobicContact CG2-CD1 4.08Å; T849-L960 HydrophobicContact CG2-CG 4.43Å; T849-L963 HydrophobicContact CG2-CB 3.92Å; T849-L963 HydrophobicContact CG2-CD2 3.79Å; T849-L963 HydrophobicContact CG2-CG 4.33Å; T849-V974 HydrophobicContact CG2-CG1 4.12Å
850	Y	92.6	Very high	86.3	Confident	15 Å²	15	37 Å²	37	6%	0.059	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.3	-179.5	178.8	-96.6	0	0	0	110.2	P752 G820 Q821 F822 D852 S856 G857 V859 L950	P752-Y850 HydrophobicContact CB-CD2 4.02Å; P752-Y850 HydrophobicContact CB-CE1 4.49Å; P752-Y850 HydrophobicContact CB-CE2 3.56Å; P752-Y850 HydrophobicContact CG-CE2 3.87Å; G820-Y850 WeakPolarHBondContact CA-OH 3.37Å; Q821-Y850 WeakPolarHBondContact O-CA 3.4Å; F822-Y850 AromaticContact CD1-CD2 3.87Å; F822-Y850 HydrophobicContact CD1-CD2 3.87Å; F822-Y850 HydrophobicContact CD1-CG 4.43Å; F822-Y850 HydrophobicContact CD2-CD2 4.4Å; F822-Y850 AromaticContact CE1-CD2 3.7Å; F822-Y850 HydrophobicContact CE1-CD2 3.7Å; F822-Y850 HydrophobicContact CE1-CG 4.23Å; F822-Y850 HydrophobicContact CE2-CD2 4.25Å; F822-Y850 HydrophobicContact CG-CD2 4.22Å; F822-Y850 AromaticContact CZ-CD2 3.91Å; F822-Y850 HydrophobicContact CZ-CD2 3.91Å; F822-Y850 HydrophobicContact CZ-CE2 4.45Å; Y850-D852 HydrophobicContact CE1-CB 4.05Å; Y850-S856 CarbonylContact O-C 3.57Å; Y850-S856 WeakPolarHBondContact O-CA 3.43Å; Y850-G857 PolarHBondContact N-O 3.47Å; Y850-G857 PolarHBondContact O-N 3.05Å; Y850-V859 HydrophobicContact CG-CG2 4.2Å; Y850-L950 HydrophobicContact CD1-CD1 4.4Å
851	S	89.9	Confident	87.8	Confident	15 Å²	15	34.3 Å²	34.3	11%	0.105	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.1	175.7	-67.5	0	0	0	0	110.4	G820 Q821 R855 S856 L960	G820-S851 CarbonylContact C-O 3.49Å; G820-S851 VanDerWaalsContact CA-O 3.29Å; G820-S851 WeakPolarHBondContact CA-O 3.44Å; Q821-S851 PolarHBondContact N-O 3.41Å; Q821-S851 PolarHBondContact O-N 3.49Å; S851-R855 CarbonylContact C-O 3.47Å; S851-R855 WeakPolarHBondContact CA-O 3.49Å; S851-S856 PolarHBondContact OG-OG 3.47Å; S851-L960 PolarHBondContact OG-N 3.22Å
852	D	85.7	Confident	88.9	Confident	25 Å²	25	28.6 Å²	28.6	13%	0.134	13%	0.128	C	C	.	.			trans	-121.3	-167.8	168	69.8	39.5	0	0	0	110.5	Y850 Q854 R855	Y850-D852 HydrophobicContact CE1-CB 4.05Å; D852-Q854 PolarHBondContact O-N 3.22Å; D852-Q854 WeakPolarHBondContact OD1-CA 3.49Å; D852-Q854 PolarHBondContact OD1-N 2.96Å; D852-R855 PolarHBondContact N-O 3.13Å; D852-R855 PolarHBondContact OD1-N 3.35Å; D852-R855 IonicContact OD2-NE 2.77Å; D852-R855 IonicContact OD2-NH2 2.78Å
853	R	79	Confident	89.5	Confident	235 Å²	235	31.4 Å²	31.4	89%	0.887	14%	0.141	S	C	*	.	S	Bend	trans	-69.6	-17.6	-178.6	-72.4	-174.8	178.8	152.1	-1.2	114.1
854	Q	76.5	Confident	89.4	Confident	166 Å²	166	33 Å²	33	78%	0.776	15%	0.153	S	C	*	.	S	Bend	trans	-117.1	-30.4	-171.9	-63.2	-62.1	-21.4	0	0	112.2	D852	D852-Q854 PolarHBondContact O-N 3.22Å; D852-Q854 WeakPolarHBondContact OD1-CA 3.49Å; D852-Q854 PolarHBondContact OD1-N 2.96Å
855	R	82.3	Confident	89.1	Confident	35 Å²	35	31.5 Å²	31.5	13%	0.132	15%	0.147	C	C	.	.			trans	-137.7	143.4	-167.9	-57.2	-177.1	-65.5	165.4	4.9	111.5	S851 D852 L950 E952	S851-R855 CarbonylContact C-O 3.47Å; S851-R855 WeakPolarHBondContact CA-O 3.49Å; D852-R855 PolarHBondContact N-O 3.13Å; D852-R855 PolarHBondContact OD1-N 3.35Å; D852-R855 IonicContact OD2-NE 2.77Å; D852-R855 IonicContact OD2-NH2 2.78Å; R855-L950 HydrophobicContact CB-CD2 4.33Å; R855-E952 WeakPolarHBondContact CD-OE1 3.32Å; R855-E952 WeakPolarHBondContact CD-OE2 3.46Å; R855-E952 IonicContact CZ-OE1 3.19Å; R855-E952 IonicContact NE-OE1 3.8Å; R855-E952 IonicContact NH1-OE1 2.79Å; R855-E952 PolarHBondContact NH1-OE1 3.29Å
856	S	88.1	Confident	88.9	Confident	10 Å²	10	31.9 Å²	31.9	7%	0.07	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.1	164.3	-73.4	0	0	0	0	108.4	Y850 S851 V953 R958	Y850-S856 CarbonylContact O-C 3.57Å; Y850-S856 WeakPolarHBondContact O-CA 3.43Å; S851-S856 PolarHBondContact OG-OG 3.47Å; S856-V953 WeakPolarHBondContact O-CG2 3.35Å; S856-V953 PolarHBondContact O-N 3.3Å; S856-R958 PolarHBondContact OG-O 2.99Å
857	G	90.9	Very high	88.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	-171	-179.5	0	0	0	0	0	113.8	T849 Y850 I951 L960	T849-G857 WeakPolarHBondContact CA-O 3.46Å; Y850-G857 PolarHBondContact N-O 3.47Å; Y850-G857 PolarHBondContact O-N 3.05Å; G857-I951 CarbonylContact C-O 3.59Å; G857-I951 WeakPolarHBondContact CA-O 3.47Å; G857-L960 WeakPolarHBondContact O-CD1 3.43Å
858	V	93.4	Very high	87.7	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.7	175.5	179.5	0	0	0	0	108.6	L847 A848 T849 V860 I951 L963 V972 V974 I985	L847-V858 HydrophobicContact CB-CG1 3.94Å; L847-V858 HydrophobicContact CD2-CG1 3.97Å; L847-V858 HydrophobicContact CG-CG1 4.39Å; A848-V858 CarbonylContact O-C 3.57Å; A848-V858 WeakPolarHBondContact O-CA 3.48Å; T849-V858 HydrophobicContact CG2-CG2 4.31Å; V858-V860 HydrophobicContact CG1-CG2 4.41Å; V858-I951 PolarHBondContact N-O 3.29Å; V858-I951 PolarHBondContact O-N 3.48Å; V858-L963 HydrophobicContact CG1-CD1 4.27Å; V858-V972 HydrophobicContact CG2-CG1 4.26Å; V858-V974 HydrophobicContact CG2-CG1 3.64Å; V858-I985 HydrophobicContact CG2-CD1 3.86Å
859	V	93.4	Very high	86.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.8	171.2	-175.5	0	0	0	0	108.3	P753 F822 L847 A848 Y850 W861 P948 Y949 L950	P753-V859 HydrophobicContact CG-CG1 4.21Å; P753-V859 HydrophobicContact CG-CG2 4.38Å; F822-V859 HydrophobicContact CE1-CB 4.36Å; F822-V859 HydrophobicContact CE1-CG2 4Å; L847-V859 WeakPolarHBondContact CA-O 3.16Å; A848-V859 PolarHBondContact N-O 3.08Å; A848-V859 PolarHBondContact O-N 3.35Å; Y850-V859 HydrophobicContact CG-CG2 4.2Å; V859-W861 HydrophobicContact CB-CE3 4.34Å; V859-W861 HydrophobicContact CB-CH2 3.76Å; V859-W861 HydrophobicContact CB-CZ2 4.45Å; V859-W861 HydrophobicContact CB-CZ3 3.68Å; V859-W861 HydrophobicContact CG1-CD2 4.04Å; V859-W861 HydrophobicContact CG1-CE3 3.81Å; V859-W861 HydrophobicContact CG1-CH2 3.34Å; V859-W861 HydrophobicContact CG1-CZ2 3.55Å; V859-W861 HydrophobicContact CG1-CZ3 3.46Å; V859-W861 VanDerWaalsContact CG1-CZ3 3.46Å; V859-P948 HydrophobicContact CG1-CB 4.44Å; V859-Y949 WeakPolarHBondContact CA-O 3.47Å; V859-L950 HydrophobicContact CG2-CD1 3.71Å
860	V	92.5	Very high	85.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.1	179.4	-173.7	0	0	0	0	109.3	C845 L847 V858 P948 Y949 I951 Y987	C845-V860 HydrophobicContact CB-CG1 3.98Å; L847-V860 HydrophobicContact CD2-CG2 4.32Å; L847-V860 HydrophobicContact CG-CG2 4.4Å; V858-V860 HydrophobicContact CG1-CG2 4.41Å; V860-P948 WeakPolarHBondContact O-CA 3.5Å; V860-Y949 HydrophobicContact CB-CD2 4.15Å; V860-Y949 HydrophobicContact CB-CE1 4.1Å; V860-Y949 HydrophobicContact CB-CE2 3.63Å; V860-Y949 HydrophobicContact CG1-CE1 4.21Å; V860-Y949 HydrophobicContact CG1-CE2 4.22Å; V860-Y949 WeakPolarHBondContact CG1-OH 3.48Å; V860-Y949 HydrophobicContact CG2-CD2 4.3Å; V860-Y949 HydrophobicContact CG2-CE2 3.68Å; V860-Y949 PolarHBondContact N-O 2.92Å; V860-Y949 PolarHBondContact O-N 3.49Å; V860-I951 HydrophobicContact CG2-CG1 4.2Å; V860-Y987 HydrophobicContact CG1-CD2 4.25Å; V860-Y987 HydrophobicContact CG2-CD2 4.12Å; V860-Y987 HydrophobicContact CG2-CG 4.48Å
861	W	92.4	Very high	84.8	Confident	5 Å²	5	46.3 Å²	46.3	2%	0.019	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108.7	168.1	-69	-97.9	0	0	0	109.6	I737 L750 L751 F822 C845 I846 A848 V859 L865 W866 P948	I737-W861 HydrophobicContact CG1-CH2 3.75Å; I737-W861 HydrophobicContact CG1-CZ3 4.05Å; L750-W861 HydrophobicContact CB-CD2 4.46Å; L750-W861 HydrophobicContact CB-CZ2 3.75Å; L750-W861 HydrophobicContact CD1-CB 4.41Å; L750-W861 HydrophobicContact CD1-CD2 3.84Å; L750-W861 HydrophobicContact CD1-CE3 4.38Å; L750-W861 HydrophobicContact CD1-CG 3.83Å; L751-W861 WeakPolarHBondContact O-CZ2 3.41Å; F822-W861 AromaticContact CE1-CH2 3.67Å; F822-W861 HydrophobicContact CE1-CH2 3.67Å; F822-W861 HydrophobicContact CE1-CZ3 4.47Å; F822-W861 AromaticContact CZ-CH2 3.8Å; F822-W861 HydrophobicContact CZ-CH2 3.8Å; F822-W861 HydrophobicContact CZ-CZ2 4.34Å; C845-W861 VanDerWaalsContact CA-O 3.23Å; C845-W861 WeakPolarHBondContact CA-O 3.39Å; C845-W861 WeakPolarHBondContact CB-O 3.47Å; I846-W861 HydrophobicContact CB-CB 4.32Å; I846-W861 HydrophobicContact CB-CE3 4.44Å; I846-W861 HydrophobicContact CG2-CE3 4.23Å; I846-W861 PolarHBondContact N-O 3.39Å; I846-W861 PolarHBondContact O-N 3.4Å; A848-W861 HydrophobicContact CB-CH2 4.47Å; A848-W861 HydrophobicContact CB-CZ3 3.92Å; V859-W861 HydrophobicContact CB-CE3 4.34Å; V859-W861 HydrophobicContact CB-CH2 3.76Å; V859-W861 HydrophobicContact CB-CZ2 4.45Å; V859-W861 HydrophobicContact CB-CZ3 3.68Å; V859-W861 HydrophobicContact CG1-CD2 4.04Å; V859-W861 HydrophobicContact CG1-CE3 3.81Å; V859-W861 HydrophobicContact CG1-CH2 3.34Å; V859-W861 HydrophobicContact CG1-CZ2 3.55Å; V859-W861 HydrophobicContact CG1-CZ3 3.46Å; V859-W861 VanDerWaalsContact CG1-CZ3 3.46Å; W861-L865 HydrophobicContact CG-CD2 4.45Å; W861-W866 HydrophobicContact CB-CB 4.31Å; W861-P948 HydrophobicContact CD2-CB 4.39Å; W861-P948 HydrophobicContact CG-CB 4.14Å
862	P	89	Confident	83.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.251	C	S	.	.			trans	-59.1	156.2	173.7	-23.9	34.5	0	0	0	112.7	L842 A864 L865 W866 Y949	L842-P862 HydrophobicContact CD2-CB 4.06Å; L842-P862 HydrophobicContact CD2-CG 3.77Å; P862-A864 PolarHBondContact O-N 3.47Å; P862-L865 WeakPolarHBondContact O-CB 3.47Å; P862-L865 PolarHBondContact O-N 3.5Å; P862-W866 VanDerWaalsContact O-CD1 3.28Å; P862-W866 PolarHBondContact O-N 3.42Å; P862-Y949 HydrophobicContact CG-CE1 4.22Å
863	E	88.9	Confident	81	Confident	74 Å²	74	53.9 Å²	53.9	35%	0.346	26%	0.259	S	S	.	.	H	α-helix	trans	-54.1	-48.5	-175.1	-170.7	170.7	178.3	0	0	113	L842 G843 K844 L865 T867	L842-E863 PolarHBondContact O-N 3.1Å; G843-E863 VanDerWaalsContact CA-OE2 3.22Å; G843-E863 WeakPolarHBondContact CA-OE2 3.43Å; K844-E863 PolarHBondContact N-OE2 2.8Å; K844-E863 WeakPolarHBondContact O-CA 3.38Å; K844-E863 WeakPolarHBondContact O-CB 3.29Å; E863-L865 PolarHBondContact O-N 3.35Å; E863-L865 VanDerWaalsContact O-N 3.1Å; E863-T867 HydrophobicContact CG-CG2 4.11Å; E863-T867 WeakPolarHBondContact O-CB 3.47Å; E863-T867 VanDerWaalsContact O-CG2 3.24Å; E863-T867 WeakPolarHBondContact O-CG2 3.5Å; E863-T867 PolarHBondContact O-N 3.3Å; E863-T867 VanDerWaalsContact O-N 3.16Å; E863-T867 PolarHBondContact O-OG1 3.13Å
864	A	81.3	Confident	79.2	Confident	48 Å²	48	47.1 Å²	47.1	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-26.5	-179.6	0	0	0	0	0	113.5	P862 S868 F946	P862-A864 PolarHBondContact O-N 3.47Å; A864-S868 WeakPolarHBondContact O-CB 3.5Å; A864-S868 PolarHBondContact O-OG 3.43Å; A864-F946 HydrophobicContact CB-CD1 3.88Å; A864-F946 HydrophobicContact CB-CE1 3.69Å
865	L	82.9	Confident	77.1	Confident	33 Å²	33	46.5 Å²	46.5	17%	0.173	24%	0.241	C	C	.	.	H	α-helix	trans	-85	-50.5	-176.1	178.8	65.6	0	0	0	112.4	W861 P862 E863 S868 S869 F946 P948	W861-L865 HydrophobicContact CG-CD2 4.45Å; P862-L865 WeakPolarHBondContact O-CB 3.47Å; P862-L865 PolarHBondContact O-N 3.5Å; E863-L865 PolarHBondContact O-N 3.35Å; E863-L865 VanDerWaalsContact O-N 3.1Å; L865-S868 PolarHBondContact O-OG 2.97Å; L865-S869 PolarHBondContact O-N 3.24Å; L865-S869 VanDerWaalsContact O-N 3.13Å; L865-S869 PolarHBondContact O-OG 3.48Å; L865-F946 WeakPolarHBondContact CD1-O 3.43Å; L865-P948 HydrophobicContact CD2-CB 3.98Å; L865-P948 VanDerWaalsContact CD2-CD 3.44Å; L865-P948 HydrophobicContact CD2-CG 4.04Å
866	W	86.4	Confident	74.7	Confident	8 Å²	8	53.2 Å²	53.2	3%	0.03	27%	0.274	C	S	.	.	H	α-helix	trans	-73.4	-32.5	-176.9	72.4	-100.2	0	0	0	111.4	I739 L750 F827 K844 I846 W861 P862 S869 C870	I739-W866 HydrophobicContact CD1-CB 4.45Å; I739-W866 HydrophobicContact CD1-CE3 4.23Å; L750-W866 HydrophobicContact CD1-CB 4.21Å; F827-W866 HydrophobicContact CE2-CH2 4.3Å; F827-W866 AromaticContact CE2-CZ2 3.64Å; F827-W866 HydrophobicContact CE2-CZ2 3.64Å; F827-W866 AromaticContact CZ-CZ2 3.92Å; F827-W866 HydrophobicContact CZ-CZ2 3.92Å; K844-W866 PolarHBondContact O-NE1 2.78Å; I846-W866 HydrophobicContact CD1-CB 3.86Å; I846-W866 HydrophobicContact CD1-CD2 3.72Å; I846-W866 HydrophobicContact CD1-CE3 4.04Å; I846-W866 HydrophobicContact CD1-CG 3.63Å; I846-W866 HydrophobicContact CG1-CD2 4.15Å; I846-W866 HydrophobicContact CG1-CG 3.97Å; W861-W866 HydrophobicContact CB-CB 4.31Å; P862-W866 VanDerWaalsContact O-CD1 3.28Å; P862-W866 PolarHBondContact O-N 3.42Å; W866-S869 PolarHBondContact O-N 2.82Å; W866-C870 PolarHBondContact O-N 3.12Å; W866-C870 PolarHBondContact O-SG 2.9Å
867	T	86.5	Confident	72.1	Confident	39 Å²	39	59 Å²	59	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-41.5	175.2	55.9	0	0	0	0	112.3	E863 S869 C870 R871	E863-T867 HydrophobicContact CG-CG2 4.11Å; E863-T867 WeakPolarHBondContact O-CB 3.47Å; E863-T867 VanDerWaalsContact O-CG2 3.24Å; E863-T867 WeakPolarHBondContact O-CG2 3.5Å; E863-T867 PolarHBondContact O-N 3.3Å; E863-T867 VanDerWaalsContact O-N 3.16Å; E863-T867 PolarHBondContact O-OG1 3.13Å; T867-S869 VanDerWaalsContact C-N 3.33Å; T867-S869 PolarHBondContact O-N 3.2Å; T867-C870 PolarHBondContact O-N 3.39Å; T867-R871 PolarHBondContact O-N 2.99Å
868	S	78.8	Confident	69.4	Low	49 Å²	49	65.3 Å²	65.3	34%	0.343	34%	0.337	S	S	.	.	H	α-helix	trans	-66.2	-36	175.6	55	0	0	0	0	112.3	A864 L865 C870 R871 Q872	A864-S868 WeakPolarHBondContact O-CB 3.5Å; A864-S868 PolarHBondContact O-OG 3.43Å; L865-S868 PolarHBondContact O-OG 2.97Å; S868-C870 PolarHBondContact O-N 3.47Å; S868-R871 PolarHBondContact O-N 3.24Å; S868-Q872 PolarHBondContact O-N 3.02Å
869	S	73.9	Confident	66.5	Low	28 Å²	28	71.9 Å²	71.9	20%	0.196	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-29.3	174	-56.3	0	0	0	0	112.7	S748 L865 W866 T867	S748-S869 PolarHBondContact OG-O 3.36Å; L865-S869 PolarHBondContact O-N 3.24Å; L865-S869 VanDerWaalsContact O-N 3.13Å; L865-S869 PolarHBondContact O-OG 3.48Å; W866-S869 PolarHBondContact O-N 2.82Å; T867-S869 VanDerWaalsContact C-N 3.33Å; T867-S869 PolarHBondContact O-N 3.2Å
870	C	78.9	Confident	63.4	Low	15 Å²	15	79.3 Å²	79.3	10%	0.101	41%	0.411	C	S	.	.	H	α-helix	trans	-75.7	-36.2	173.9	-62.7	0	0	0	0	112.3	L747 W866 T867 S868 S873	L747-C870 HydrophobicContact CB-CB 4.39Å; L747-C870 HydrophobicContact CD1-CB 4.45Å; W866-C870 PolarHBondContact O-N 3.12Å; W866-C870 PolarHBondContact O-SG 2.9Å; T867-C870 PolarHBondContact O-N 3.39Å; S868-C870 PolarHBondContact O-N 3.47Å; C870-S873 PolarHBondContact O-OG 2.9Å
871	R	70.1	Confident	60.3	Low	187 Å²	187	87.4 Å²	87.4	71%	0.706	45%	0.451	S	S	*	.	H	α-helix	trans	-70.3	-32.2	-178.1	-69.7	-179.4	-175.6	-177	1.8	114	T867 S868 S873 V874	T867-R871 PolarHBondContact O-N 2.99Å; S868-R871 PolarHBondContact O-N 3.24Å; R871-S873 PolarHBondContact O-N 3.19Å; R871-V874 PolarHBondContact O-N 2.88Å
872	Q	53.8	Low	57.3	Low	154 Å²	154	93.4 Å²	93.4	72%	0.72	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-63.4	-28.7	179.6	-72.8	178.8	-6.2	0	0	113	S868 V874	S868-Q872 PolarHBondContact O-N 3.02Å; Q872-V874 VanDerWaalsContact C-N 3.29Å; Q872-V874 PolarHBondContact O-N 3.3Å
873	S	43.1	Very low	54.4	Low	45 Å²	45	97.7 Å²	97.7	32%	0.315	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-70.2	-21.9	179.6	70.8	0	0	0	0	114.2	L747 C870 R871	L747-S873 WeakPolarHBondContact O-CB 3.43Å; L747-S873 PolarHBondContact O-OG 3.35Å; C870-S873 PolarHBondContact O-OG 2.9Å; R871-S873 PolarHBondContact O-N 3.19Å
874	V	40.5	Very low	51.5	Low	94 Å²	94	99.3 Å²	99.3	57%	0.57	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-79.5	-22.4	-173.9	-174.8	0	0	0	0	112	R871 Q872 E876	R871-V874 PolarHBondContact O-N 2.88Å; Q872-V874 VanDerWaalsContact C-N 3.29Å; Q872-V874 PolarHBondContact O-N 3.3Å; V874-E876 PolarHBondContact O-N 2.89Å
875	H	33.1	Very low	48.8	Very low	153 Å²	153	104 Å²	104	71%	0.708	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-81.2	-9.8	-175.1	-87.5	-72.8	0	0	0	115.7	I877	H875-I877 VanDerWaalsContact C-N 3.29Å; H875-I877 PolarHBondContact O-N 2.98Å
876	E	31.5	Very low	46.1	Very low	175 Å²	175	108.9 Å²	108.9	82%	0.818	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-82	-1.4	176.7	-80.9	-170.7	165.8	0	0	114.1	V874	V874-E876 PolarHBondContact O-N 2.89Å
877	I	33.6	Very low	43.1	Very low	133 Å²	133	115.9 Å²	115.9	68%	0.682	62%	0.617	S	S	*	*	S	Bend	trans	-94.8	-22.8	-177	-61.2	179.6	0	0	0	113.2	H875	H875-I877 VanDerWaalsContact C-N 3.29Å; H875-I877 PolarHBondContact O-N 2.98Å
878	D	33.3	Very low	40.3	Very low	132 Å²	132	119.5 Å²	119.5	71%	0.706	64%	0.64	S	S	*	*	S	Bend	trans	-94.9	-12.6	-173.9	-82.3	-21.4	0	0	0	115.7	N880	D878-N880 VanDerWaalsContact C-N 3.31Å; D878-N880 PolarHBondContact O-N 3.18Å
879	D	32	Very low	37.5	Very low	138 Å²	138	124.7 Å²	124.7	74%	0.738	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-1.3	-176.9	-83	-17.4	0	0	0	115
880	N	29.4	Very low	35.3	Very low	155 Å²	155	128.1 Å²	128.1	83%	0.829	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	9.6	177	-86.3	-24.6	0	0	0	115.1	D878	D878-N880 VanDerWaalsContact C-N 3.31Å; D878-N880 PolarHBondContact O-N 3.18Å
881	M	26.2	Very low	32.6	Very low	170 Å²	170	135 Å²	135	84%	0.837	72%	0.723	S	S	*	*			trans	-106.1	57.2	165.9	-71.7	-168	90.9	0	0	111.6	S883	M881-S883 VanDerWaalsContact C-N 3.26Å; M881-S883 PolarHBondContact O-N 2.87Å; M881-S883 VanDerWaalsContact O-N 3.11Å
882	V	29.9	Very low	30.6	Very low	131 Å²	131	133.6 Å²	133.6	79%	0.794	73%	0.73	S	S	*	*			trans	-81.4	83.4	159.3	-176.5	0	0	0	0	108.5	S884	V882-S884 PolarHBondContact O-N 3.11Å
883	S	28.3	Very low	29.1	Very low	91 Å²	91	133.2 Å²	133.2	64%	0.636	73%	0.732	S	S	*	*			trans	32.4	75.2	133.2	-42.7	0	0	0	0	117.4	M881 N885	M881-S883 VanDerWaalsContact C-N 3.26Å; M881-S883 PolarHBondContact O-N 2.87Å; M881-S883 VanDerWaalsContact O-N 3.11Å; S883-N885 VanDerWaalsContact C-N 3.34Å; S883-N885 PolarHBondContact O-N 2.84Å; S883-N885 VanDerWaalsContact O-N 3.13Å
884	S	28.3	Very low	28.2	Very low	107 Å²	107	138.2 Å²	138.2	75%	0.748	76%	0.756	S	S	*	*			trans	-75.6	91.7	153.7	55.4	0	0	0	0	108.7	V882 I886	V882-S884 PolarHBondContact O-N 3.11Å; S884-I886 PolarHBondContact O-N 2.63Å
885	N	25.4	Very low	27.5	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	77%	0.765	S	S	*	*			trans	-60.6	93.5	171.1	-73.3	-27.3	0	0	0	110.1	S883	S883-N885 VanDerWaalsContact C-N 3.34Å; S883-N885 PolarHBondContact O-N 2.84Å; S883-N885 VanDerWaalsContact O-N 3.13Å
886	I	25.8	Very low	27	Very low	137 Å²	137	138.2 Å²	138.2	70%	0.703	77%	0.766	S	S	*	*			trans	-105.6	103	162.9	-59.5	-178.9	0	0	0	106.9	S884 T888	S884-I886 PolarHBondContact O-N 2.63Å; I886-T888 HydrophobicContact CG2-CG2 4.12Å; I886-T888 PolarHBondContact O-N 2.73Å; I886-T888 VanDerWaalsContact O-N 3.15Å
887	I	23.5	Very low	26.6	Very low	154 Å²	154	135.4 Å²	135.4	79%	0.79	77%	0.765	S	S	*	*			trans	-64.7	104.4	170	-61.2	166	0	0	0	107
888	T	26	Very low	26.1	Very low	116 Å²	116	135.8 Å²	135.8	71%	0.712	77%	0.768	S	S	*	*			trans	-114	98.2	161.5	49.6	0	0	0	0	109.2	I886 S890	I886-T888 HydrophobicContact CG2-CG2 4.12Å; I886-T888 PolarHBondContact O-N 2.73Å; I886-T888 VanDerWaalsContact O-N 3.15Å; T888-S890 PolarHBondContact O-N 3.2Å
889	N	21.7	Very low	25.8	Very low	158 Å²	158	135.7 Å²	135.7	85%	0.845	77%	0.773	S	S	*	*			trans	-56.5	121.7	155.6	-96.7	-18.7	0	0	0	109.2
890	S	26.7	Very low	25.3	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	78%	0.778	S	S	*	*			trans	-165.7	108.5	148.5	47	0	0	0	0	110	T888 N892	T888-S890 PolarHBondContact O-N 3.2Å; S890-N892 PolarHBondContact O-N 3.41Å
891	N	22.7	Very low	25.1	Very low	161 Å²	161	134.7 Å²	134.7	86%	0.861	78%	0.777	S	S	*	*			trans	-39.1	126.6	154	-67.3	-29.8	0	0	0	110.1
892	N	27.3	Very low	25.1	Very low	157 Å²	157	130.9 Å²	130.9	84%	0.84	77%	0.773	S	S	*	*			trans	-145.9	98.3	151.8	-92	-22.1	0	0	0	107.6	S890	S890-N892 PolarHBondContact O-N 3.41Å
893	N	22.1	Very low	24.8	Very low	145 Å²	145	131.1 Å²	131.1	78%	0.775	77%	0.77	S	S	*	*			trans	-64.1	163.2	151.6	-78.5	-19.6	0	0	0	109.3
894	D	24.3	Very low	24.8	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	78%	0.783	S	S	*	*			trans	82.2	106	165.9	-49.1	-29.7	0	0	0	115.4
895	T	27.4	Very low	24.6	Very low	126 Å²	126	135.8 Å²	135.8	77%	0.773	79%	0.785	S	S	*	*				179	124.9	74.6	-49.5	0	0	0	0	108.9	C897	T895-C897 PolarHBondContact O-N 2.96Å
896	V	22.2	Very low	24.5	Very low	120 Å²	120	135.4 Å²	135.4	73%	0.727	79%	0.788	S	S	*	*			trans	-70.2	117.3	174	173.1	0	0	0	0	109.3
897	C	23.5	Very low	24.5	Very low	116 Å²	116	135.5 Å²	135.5	78%	0.784	80%	0.795	S	S	*	*			trans	-108.1	99.8	163.3	-75.4	0	0	0	0	109.3	T895 T899	T895-C897 PolarHBondContact O-N 2.96Å; C897-T899 PolarHBondContact O-N 3.37Å
898	N	21.7	Very low	24.6	Very low	142 Å²	142	134.9 Å²	134.9	76%	0.759	80%	0.799	S	S	*	*			trans	-68.2	112.1	168.6	-75.3	-25.6	0	0	0	109.8
899	T	26.6	Very low	24.5	Very low	129 Å²	129	135 Å²	135	79%	0.791	80%	0.804	S	S	*	*			trans	-110.9	98.6	159	46.9	0	0	0	0	108.9	C897 T901	C897-T899 PolarHBondContact O-N 3.37Å; T899-T901 PolarHBondContact O-N 3.49Å
900	T	21.6	Very low	24.7	Very low	138 Å²	138	133.7 Å²	133.7	85%	0.847	80%	0.802	S	S	*	*			trans	-65.4	113.6	165.3	43.1	0	0	0	0	110.1
901	T	26.7	Very low	24.6	Very low	134 Å²	134	134.9 Å²	134.9	82%	0.822	81%	0.807	S	S	*	*			trans	-123.7	115.8	160.4	46.8	0	0	0	0	108.4	T899	T899-T901 PolarHBondContact O-N 3.49Å
902	A	25.7	Very low	24.7	Very low	90 Å²	90	133 Å²	133	74%	0.744	81%	0.806	S	S	*	*			trans	-71.4	136.5	-174.3	0	0	0	0	0	112.6
903	D	23.4	Very low	24.7	Very low	136 Å²	136	131.1 Å²	131.1	73%	0.727	81%	0.806	S	S	*	*			trans	37.6	111.5	134.2	-59.8	-27	0	0	0	119.2
904	T	28.1	Very low	24.8	Very low	148 Å²	148	128 Å²	128	91%	0.908	81%	0.808	S	S	*	*				-151.9	92.3	129.6	21	0	0	0	0	109
905	N	23.8	Very low	24.8	Very low	148 Å²	148	126.1 Å²	126.1	79%	0.791	81%	0.807	S	S	*	*			trans	-76.6	116.3	171	-85.2	-31.3	0	0	0	110.5
906	T	24.6	Very low	24.7	Very low	139 Å²	139	126.1 Å²	126.1	85%	0.853	81%	0.806	S	S	*	*			trans	-156.7	87	147.8	39.8	0	0	0	0	109.2
907	T	25.6	Very low	24.7	Very low	138 Å²	138	127.6 Å²	127.6	85%	0.847	81%	0.81	S	S	*	*			trans	-120.7	106.1	167.1	45.8	0	0	0	0	109.3
908	T	25.7	Very low	24.8	Very low	141 Å²	141	130.3 Å²	130.3	87%	0.865	81%	0.811	S	S	*	*			trans	-67.5	120.4	167.3	38.4	0	0	0	0	110.1
909	S	22.5	Very low	24.9	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	81%	0.808	S	S	*	*			trans	-74.5	122.5	178.6	52.5	0	0	0	0	112.2
910	V	26.1	Very low	24.7	Very low	132 Å²	132	135.6 Å²	135.6	80%	0.8	82%	0.815	S	S	*	*			trans	-115.8	133.9	161.3	-179.8	0	0	0	0	107.4
911	P	25.3	Very low	24.9	Very low	124 Å²	124	137.6 Å²	137.6	81%	0.805	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-82.1	126	-164.8	3.1	14.8	0	0	0	111.6
912	S	25.2	Very low	24.8	Very low	120 Å²	120	136.2 Å²	136.2	84%	0.839	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.3	123.1	174.4	44.6	0	0	0	0	111.8
913	S	26.2	Very low	24.8	Very low	119 Å²	119	139 Å²	139	83%	0.832	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-66	136.7	172	41.5	0	0	0	0	111.8	S915	S913-S915 PolarHBondContact O-N 3.09Å
914	G	23.7	Very low	25	Very low	79 Å²	79	138.5 Å²	138.5	81%	0.814	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-66.8	123.2	-176.1	0	0	0	0	0	113.4
915	S	24.9	Very low	24.9	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	81%	0.805	S	S	*	*			trans	-83.4	113.5	167	56.4	0	0	0	0	109.9	S913 N917	S913-S915 PolarHBondContact O-N 3.09Å; S915-N917 PolarHBondContact O-N 3.5Å
916	T	24.9	Very low	25.4	Very low	125 Å²	125	135.9 Å²	135.9	77%	0.767	80%	0.804	S	S	*	*			trans	-72.3	118.6	172.3	30	0	0	0	0	110.8	H918	T916-H918 PolarHBondContact O-N 3.3Å
917	N	23.8	Very low	25.5	Very low	151 Å²	151	136 Å²	136	81%	0.807	80%	0.8	S	S	*	*			trans	-66.9	105	175.7	-87.9	-29.1	0	0	0	111.7	S915	S915-N917 PolarHBondContact O-N 3.5Å
918	H	24.3	Very low	25.5	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.806	80%	0.798	S	S	*	*			trans	-110.2	75.9	161.8	-80.8	-59.6	0	0	0	110.2	T916	T916-H918 PolarHBondContact O-N 3.3Å
919	N	23.7	Very low	25.5	Very low	128 Å²	128	140 Å²	140	68%	0.684	80%	0.797	S	S	*	*			trans	-121.3	91.9	167.5	-86.8	-13.7	0	0	0	109.3	F921	N919-F921 WeakPolarHBondContact OD1-CE2 3.24Å
920	R	22.5	Very low	25.6	Very low	253 Å²	253	138.7 Å²	138.7	96%	0.955	78%	0.784	S	S	*	*			trans	-129.8	78	165.5	-136.2	-177.9	-167	174.7	4	107.6
921	F	26.5	Very low	25.6	Very low	181 Å²	181	141.3 Å²	141.3	79%	0.794	79%	0.787	S	S	*	*			trans	-84.5	115.2	174.7	-75.3	-80.4	0	0	0	109.2	N919	N919-F921 WeakPolarHBondContact OD1-CE2 3.24Å
922	S	24.5	Very low	25.7	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-77.7	118.7	172.5	54.6	0	0	0	0	110.1	V924	S922-V924 PolarHBondContact O-N 3.2Å
923	V	25.9	Very low	25.6	Very low	147 Å²	147	141.2 Å²	141.2	89%	0.891	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-64.6	119.6	172.4	179	0	0	0	0	109
924	V	27.2	Very low	25.6	Very low	127 Å²	127	140 Å²	140	77%	0.77	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-98.1	121.9	174.9	178.9	0	0	0	0	108.4	S922	S922-V924 PolarHBondContact O-N 3.2Å
925	D	25.9	Very low	25.7	Very low	119 Å²	119	143.8 Å²	143.8	64%	0.636	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67.7	129.8	-178	-169.4	-24.2	0	0	0	111.8	N927	D925-N927 VanDerWaalsContact C-N 3.33Å; D925-N927 PolarHBondContact O-N 3Å
926	P	33.6	Very low	25.7	Very low	121 Å²	121	147.6 Å²	147.6	79%	0.786	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-1.4	-169.8	-12.8	29.4	0	0	0	116.4
927	N	26.7	Very low	25.6	Very low	143 Å²	143	145.5 Å²	145.5	77%	0.765	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	14.8	-169	-79.8	-27.8	0	0	0	116.8	D925 Q929	D925-N927 VanDerWaalsContact C-N 3.33Å; D925-N927 PolarHBondContact O-N 3Å; N927-Q929 PolarHBondContact O-N 3.31Å
928	F	27.2	Very low	25.9	Very low	181 Å²	181	143 Å²	143	79%	0.794	77%	0.765	S	S	*	*			trans	-84.7	77.6	178.5	-132.9	-100.2	0	0	0	112.8	T930	F928-T930 HydrophobicContact CD1-CG2 3.44Å; F928-T930 VanDerWaalsContact CD1-CG2 3.44Å; F928-T930 HydrophobicContact CE1-CG2 3.5Å; F928-T930 PolarHBondContact O-N 3.4Å; F928-T930 VanDerWaalsContact O-N 3.07Å
929	Q	24.2	Very low	26.3	Very low	180 Å²	180	140.9 Å²	140.9	84%	0.841	76%	0.759	S	S	*	*			trans	-69.2	94.7	167.2	-73.6	-176.4	-4.6	0	0	110.1	N927	N927-Q929 PolarHBondContact O-N 3.31Å
930	T	26.2	Very low	26.7	Very low	91 Å²	91	138.3 Å²	138.3	56%	0.558	75%	0.745	S	S	*	*			trans	-101.1	113.4	171.1	39	0	0	0	0	110.8	F928 T932	F928-T930 HydrophobicContact CD1-CG2 3.44Å; F928-T930 VanDerWaalsContact CD1-CG2 3.44Å; F928-T930 HydrophobicContact CE1-CG2 3.5Å; F928-T930 PolarHBondContact O-N 3.4Å; F928-T930 VanDerWaalsContact O-N 3.07Å; T930-T932 PolarHBondContact O-N 2.87Å
931	H	24.5	Very low	27.4	Very low	187 Å²	187	130.2 Å²	130.2	87%	0.866	71%	0.714	S	S	*	*			trans	-55.8	99.5	164.2	-74.5	-89.8	0	0	0	109.2	C933	H931-C933 PolarHBondContact O-N 2.9Å
932	T	27.7	Very low	28	Very low	126 Å²	126	123.9 Å²	123.9	77%	0.773	69%	0.692	S	S	*	*			trans	-78.3	87.3	-179.5	35	0	0	0	0	110	T930 A934	T930-T932 PolarHBondContact O-N 2.87Å; T932-A934 PolarHBondContact O-N 3.29Å
933	C	24	Very low	28.7	Very low	116 Å²	116	127.4 Å²	127.4	78%	0.784	69%	0.69	S	S	*	*			trans	-61.4	111.8	148.8	-89.7	0	0	0	0	106.9	H931 I935	H931-C933 PolarHBondContact O-N 2.9Å; C933-I935 PolarHBondContact O-N 3.33Å
934	A	25.6	Very low	29.7	Very low	95 Å²	95	125.6 Å²	125.6	79%	0.785	67%	0.668	S	S	*	*			trans	-66	78.7	-177.2	0	0	0	0	0	111.4	T932 F936	T932-A934 PolarHBondContact O-N 3.29Å; A934-F936 PolarHBondContact O-N 2.81Å
935	I	26.1	Very low	30.8	Very low	158 Å²	158	121.6 Å²	121.6	81%	0.81	64%	0.642	S	S	*	*			trans	-74.7	106.6	161.3	-60	177.3	0	0	0	105.8	C933 C937	C933-I935 PolarHBondContact O-N 3.33Å; I935-C937 PolarHBondContact O-N 2.91Å
936	F	24.5	Very low	32.4	Very low	191 Å²	191	120 Å²	120	84%	0.838	63%	0.629	S	S	*	*			trans	-60.5	88.9	-175.9	-145.4	-96	0	0	0	110.1	A934 P938	A934-F936 PolarHBondContact O-N 2.81Å; F936-P938 WeakPolarHBondContact O-CD 3.48Å
937	C	23.9	Very low	34.2	Very low	82 Å²	82	120.1 Å²	120.1	55%	0.554	62%	0.617	S	S	*	*			trans	-76.8	118.9	174.9	-171.1	0	0	0	0	109.4	I935 L939	I935-C937 PolarHBondContact O-N 2.91Å; C937-L939 PolarHBondContact O-N 2.69Å; C937-L939 VanDerWaalsContact O-N 3.11Å
938	P	29.6	Very low	36.9	Very low	98 Å²	98	114.9 Å²	114.9	64%	0.636	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	3.9	-175.9	-11.4	27.1	0	0	0	114.7	F936 N940	F936-P938 WeakPolarHBondContact O-CD 3.48Å; P938-N940 PolarHBondContact O-N 2.99Å
939	L	31.5	Very low	39.7	Very low	130 Å²	130	107.3 Å²	107.3	68%	0.681	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	4.5	-174.7	-76.5	165.1	0	0	0	114.9	C937 R941	C937-L939 PolarHBondContact O-N 2.69Å; C937-L939 VanDerWaalsContact O-N 3.11Å; L939-R941 PolarHBondContact O-N 3.11Å
940	N	32	Very low	42.8	Very low	74 Å²	74	99 Å²	99	40%	0.396	52%	0.519	S	S	.	.			trans	-82	49.5	178.8	-110.5	-33.8	0	0	0	112.9	P938 S942 R943	P938-N940 PolarHBondContact O-N 2.99Å; N940-S942 PolarHBondContact O-N 3.46Å; N940-S942 VanDerWaalsContact O-N 3.16Å; N940-S942 PolarHBondContact OD1-OG 3.48Å; N940-S942 VanDerWaalsContact OD1-OG 3.1Å; N940-R943 HydrophobicContact CB-CG 4.05Å; N940-R943 PolarHBondContact ND2-NE 3.38Å; N940-R943 VanDerWaalsContact ND2-NE 3.16Å; N940-R943 PolarHBondContact O-N 3.31Å; N940-R943 VanDerWaalsContact O-N 3.12Å
941	R	38.2	Very low	45.7	Very low	82 Å²	82	94.8 Å²	94.8	31%	0.309	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.6	169.9	-78.1	-177.8	175.3	-135.4	-0.9	111.9	D472 L939	D472-R941 IonicContact OD1-CZ 3.8Å; D472-R941 IonicContact OD1-NH1 3.05Å; D472-R941 PolarHBondContact OD1-NH1 3.33Å; L939-R941 PolarHBondContact O-N 3.11Å
942	S	38.8	Very low	48.7	Very low	48 Å²	48	88 Å²	88	34%	0.336	46%	0.462	S	S	.	.	H	α-helix	trans	-62.5	-36.8	176.9	53.1	0	0	0	0	113.5	N940 Y944 L945 F946	N940-S942 PolarHBondContact O-N 3.46Å; N940-S942 VanDerWaalsContact O-N 3.16Å; N940-S942 PolarHBondContact OD1-OG 3.48Å; N940-S942 VanDerWaalsContact OD1-OG 3.1Å; S942-Y944 PolarHBondContact O-N 2.98Å; S942-L945 PolarHBondContact O-N 3.47Å; S942-F946 WeakPolarHBondContact O-CD2 3.19Å; S942-F946 PolarHBondContact O-N 3.07Å
943	R	39.9	Very low	51.4	Low	180 Å²	180	82.4 Å²	82.4	68%	0.679	43%	0.427	S	S	*	.	H	α-helix	trans	-62.7	-23.8	-172	-77.6	-170.5	-177.9	-171.4	1.1	114.6	N940	N940-R943 HydrophobicContact CB-CG 4.05Å; N940-R943 PolarHBondContact ND2-NE 3.38Å; N940-R943 VanDerWaalsContact ND2-NE 3.16Å; N940-R943 PolarHBondContact O-N 3.31Å; N940-R943 VanDerWaalsContact O-N 3.12Å
944	Y	45.6	Very low	54.1	Low	108 Å²	108	78 Å²	78	42%	0.424	40%	0.396	S	S	.	.	H	α-helix	trans	-84.7	-27.2	-177.3	-72.1	-78.7	0	0	0	114	P470 S942	P470-Y944 HydrophobicContact CG-CD2 3.41Å; P470-Y944 VanDerWaalsContact CG-CD2 3.41Å; P470-Y944 HydrophobicContact CG-CE2 3.93Å; P470-Y944 HydrophobicContact CG-CG 3.94Å; S942-Y944 PolarHBondContact O-N 2.98Å
945	L	50.7	Low	56.6	Low	44 Å²	44	79.3 Å²	79.3	23%	0.23	40%	0.397	C	S	.	.	H	α-helix	trans	-98.5	-15.9	-177.3	-78.1	163.2	0	0	0	114.1	I486 K841 S942	I486-L945 HydrophobicContact CD1-CD2 3.92Å; K841-L945 HydrophobicContact CB-CD1 4.49Å; K841-L945 HydrophobicContact CD-CD1 3.93Å; S942-L945 PolarHBondContact O-N 3.47Å
946	F	59.9	Low	59.1	Low	84 Å²	84	74.5 Å²	74.5	37%	0.368	38%	0.377	S	S	.	.	S	Bend	trans	-101.7	15.4	-171.9	-60.9	-56.7	0	0	0	115.5	A864 L865 S942	A864-F946 HydrophobicContact CB-CD1 3.88Å; A864-F946 HydrophobicContact CB-CE1 3.69Å; L865-F946 WeakPolarHBondContact CD1-O 3.43Å; S942-F946 WeakPolarHBondContact O-CD2 3.19Å; S942-F946 PolarHBondContact O-N 3.07Å
947	K	72.2	Confident	61.6	Low	124 Å²	124	65.9 Å²	65.9	54%	0.539	34%	0.339	S	S	.	.	S	Bend	trans	-100.5	147.1	168.6	-74.9	-170.2	176.6	-173.1	0	109.5	D759	D759-K947 IonicContact OD2-NZ 3.36Å; D759-K947 PolarHBondContact OD2-NZ 3.45Å
948	P	83.2	Confident	64.5	Low	34 Å²	34	70.5 Å²	70.5	22%	0.221	35%	0.345	C	S	.	.			trans	-63	142.6	169.3	28.5	-27.4	0	0	0	108.2	P753 V859 V860 W861 L865	P753-P948 HydrophobicContact CB-CG 4.38Å; P753-P948 WeakPolarHBondContact CB-O 3.29Å; V859-P948 HydrophobicContact CG1-CB 4.44Å; V860-P948 WeakPolarHBondContact O-CA 3.5Å; W861-P948 HydrophobicContact CD2-CB 4.39Å; W861-P948 HydrophobicContact CG-CB 4.14Å; L865-P948 HydrophobicContact CD2-CB 3.98Å; L865-P948 VanDerWaalsContact CD2-CD 3.44Å; L865-P948 HydrophobicContact CD2-CG 4.04Å
949	Y	85.7	Confident	67.2	Low	21 Å²	21	72 Å²	72	8%	0.082	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.9	180	55.6	-91.7	0	0	0	110.8	H432 L842 V859 V860 P862 I951 Y987	H432-Y949 HydrophobicContact CB-CD2 3.58Å; H432-Y949 HydrophobicContact CB-CE2 4.01Å; H432-Y949 HydrophobicContact CB-CG 4.16Å; H432-Y949 VanDerWaalsContact CE1-CB 3.44Å; H432-Y949 WeakPolarHBondContact CE1-CB 3.39Å; H432-Y949 AromaticContact CG-CD2 3.78Å; H432-Y949 AromaticContact CG-CG 3.95Å; H432-Y949 WeakPolarHBondContact ND1-CB 3.3Å; H432-Y949 AromaticContact ND1-CG 3.78Å; L842-Y949 HydrophobicContact CD2-CE1 4.23Å; V859-Y949 WeakPolarHBondContact CA-O 3.47Å; V860-Y949 HydrophobicContact CB-CD2 4.15Å; V860-Y949 HydrophobicContact CB-CE1 4.1Å; V860-Y949 HydrophobicContact CB-CE2 3.63Å; V860-Y949 HydrophobicContact CG1-CE1 4.21Å; V860-Y949 HydrophobicContact CG1-CE2 4.22Å; V860-Y949 WeakPolarHBondContact CG1-OH 3.48Å; V860-Y949 HydrophobicContact CG2-CD2 4.3Å; V860-Y949 HydrophobicContact CG2-CE2 3.68Å; V860-Y949 PolarHBondContact N-O 2.92Å; V860-Y949 PolarHBondContact O-N 3.49Å; P862-Y949 HydrophobicContact CG-CE1 4.22Å; Y949-I951 HydrophobicContact CD2-CD1 3.97Å; Y949-I951 HydrophobicContact CD2-CG1 3.92Å; Y949-I951 HydrophobicContact CE2-CD1 3.8Å; Y949-I951 HydrophobicContact CE2-CG1 3.78Å; Y949-Y987 PolarHBondContact OH-O 2.8Å
950	L	88.5	Confident	70	Confident	6 Å²	6	66.1 Å²	66.1	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.7	176.2	178.6	67.1	0	0	0	108	P753 Y850 R855 V859 E952	P753-L950 HydrophobicContact CG-CB 3.92Å; Y850-L950 HydrophobicContact CD1-CD1 4.4Å; R855-L950 HydrophobicContact CB-CD2 4.33Å; V859-L950 HydrophobicContact CG2-CD1 3.71Å; L950-E952 HydrophobicContact CD2-CG 3.77Å; L950-E952 HydrophobicContact CG-CG 3.87Å; L950-E952 PolarHBondContact O-N 3.07Å
951	I	88.5	Confident	72.7	Confident	3 Å²	3	63 Å²	63	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	98.3	167.1	-65.6	-70.3	0	0	0	107.3	H432 L433 G857 V858 V860 Y949	H432-I951 HydrophobicContact CB-CD1 3.62Å; L433-I951 HydrophobicContact CD2-CD1 3.72Å; L433-I951 HydrophobicContact CG-CD1 4.29Å; G857-I951 CarbonylContact C-O 3.59Å; G857-I951 WeakPolarHBondContact CA-O 3.47Å; V858-I951 PolarHBondContact N-O 3.29Å; V858-I951 PolarHBondContact O-N 3.48Å; V860-I951 HydrophobicContact CG2-CG1 4.2Å; Y949-I951 HydrophobicContact CD2-CD1 3.97Å; Y949-I951 HydrophobicContact CD2-CG1 3.92Å; Y949-I951 HydrophobicContact CE2-CD1 3.8Å; Y949-I951 HydrophobicContact CE2-CG1 3.78Å
952	E	85.8	Confident	75.2	Confident	45 Å²	45	59.3 Å²	59.3	21%	0.21	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.1	-179.6	-62.5	-172.1	-158.7	0	0	110.3	T516 Q517 R855 L950	T516-E952 WeakPolarHBondContact CA-O 3.46Å; T516-E952 HydrophobicContact CG2-CB 4.11Å; Q517-E952 PolarHBondContact N-O 3.46Å; R855-E952 WeakPolarHBondContact CD-OE1 3.32Å; R855-E952 WeakPolarHBondContact CD-OE2 3.46Å; R855-E952 IonicContact CZ-OE1 3.19Å; R855-E952 IonicContact NE-OE1 3.8Å; R855-E952 IonicContact NH1-OE1 2.79Å; R855-E952 PolarHBondContact NH1-OE1 3.29Å; L950-E952 HydrophobicContact CD2-CG 3.77Å; L950-E952 HydrophobicContact CG-CG 3.87Å; L950-E952 PolarHBondContact O-N 3.07Å
953	V	85.1	Confident	77.9	Confident	7 Å²	7	57.6 Å²	57.6	4%	0.042	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-97.3	166.6	172.9	-66.7	0	0	0	0	109.7	T516 S856 F957 I985	T516-V953 WeakPolarHBondContact CG2-O 3.39Å; S856-V953 WeakPolarHBondContact O-CG2 3.35Å; S856-V953 PolarHBondContact O-N 3.3Å; V953-F957 HydrophobicContact CB-CD2 3.53Å; V953-F957 HydrophobicContact CB-CE2 3.65Å; V953-F957 HydrophobicContact CB-CG 4.03Å; V953-F957 HydrophobicContact CB-CZ 4.26Å; V953-F957 HydrophobicContact CG1-CE2 4.26Å; V953-F957 HydrophobicContact CG1-CZ 4.45Å; V953-F957 HydrophobicContact CG2-CB 3.54Å; V953-F957 HydrophobicContact CG2-CD1 3.94Å; V953-F957 HydrophobicContact CG2-CD2 3.39Å; V953-F957 HydrophobicContact CG2-CE1 4.43Å; V953-F957 HydrophobicContact CG2-CE2 3.95Å; V953-F957 HydrophobicContact CG2-CG 3.35Å; V953-F957 HydrophobicContact CG2-CZ 4.41Å; V953-I985 HydrophobicContact CG1-CD1 3.57Å; V953-I985 HydrophobicContact CG1-CG2 4.22Å
954	D	80.3	Confident	80.5	Confident	25 Å²	25	49.9 Å²	49.9	13%	0.134	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-61.2	154.7	-176	66.9	94.9	0	0	0	112.9	R519 S956 F957	R519-D954 IonicContact CZ-OD1 2.91Å; R519-D954 IonicContact CZ-OD2 3.97Å; R519-D954 IonicContact NE-OD2 2.7Å; R519-D954 IonicContact NH1-OD1 3.74Å; R519-D954 PolarHBondContact NH1-OD1 2.81Å; R519-D954 IonicContact NH1-OD2 3.7Å; R519-D954 PolarHBondContact NH1-OD2 3.47Å; R519-D954 IonicContact NH2-OD1 3.88Å; R519-D954 PolarHBondContact NH2-OD1 2.88Å; R519-D954 IonicContact NH2-OD2 3.94Å; D954-S956 PolarHBondContact O-N 3.49Å; D954-S956 VanDerWaalsContact OD1-CB 3.31Å; D954-S956 WeakPolarHBondContact OD1-CB 3.47Å; D954-S956 PolarHBondContact OD1-N 3.38Å; D954-S956 PolarHBondContact OD1-OG 3.29Å; D954-F957 WeakPolarHBondContact O-CD2 3.3Å; D954-F957 PolarHBondContact O-N 2.94Å; D954-F957 WeakPolarHBondContact OD2-CD2 3.49Å; D954-F957 WeakPolarHBondContact OD2-CE2 3.39Å
955	P	77.7	Confident	82.8	Confident	122 Å²	122	45.5 Å²	45.5	79%	0.792	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-8.7	-173.6	-25.2	35	0	0	0	116.1	F957	P955-F957 PolarHBondContact O-N 3Å
956	S	79.9	Confident	84.7	Confident	56 Å²	56	43.8 Å²	43.8	39%	0.392	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.4	174.5	74.9	0	0	0	0	113	R519 D954	R519-S956 PolarHBondContact NH1-OG 2.85Å; D954-S956 PolarHBondContact O-N 3.49Å; D954-S956 VanDerWaalsContact OD1-CB 3.31Å; D954-S956 WeakPolarHBondContact OD1-CB 3.47Å; D954-S956 PolarHBondContact OD1-N 3.38Å; D954-S956 PolarHBondContact OD1-OG 3.29Å
957	F	77.7	Confident	85.9	Confident	10 Å²	10	41.8 Å²	41.8	4%	0.044	21%	0.211	C	C	.	.			trans	-72.2	129.9	171.1	-77.6	-93.4	0	0	0	111.4	R519 V953 D954 P955 L960 V974 D976 S983	R519-F957 HydrophobicContact CG-CE2 3.78Å; R519-F957 HydrophobicContact CG-CZ 3.87Å; V953-F957 HydrophobicContact CB-CD2 3.53Å; V953-F957 HydrophobicContact CB-CE2 3.65Å; V953-F957 HydrophobicContact CB-CG 4.03Å; V953-F957 HydrophobicContact CB-CZ 4.26Å; V953-F957 HydrophobicContact CG1-CE2 4.26Å; V953-F957 HydrophobicContact CG1-CZ 4.45Å; V953-F957 HydrophobicContact CG2-CB 3.54Å; V953-F957 HydrophobicContact CG2-CD1 3.94Å; V953-F957 HydrophobicContact CG2-CD2 3.39Å; V953-F957 HydrophobicContact CG2-CE1 4.43Å; V953-F957 HydrophobicContact CG2-CE2 3.95Å; V953-F957 HydrophobicContact CG2-CG 3.35Å; V953-F957 HydrophobicContact CG2-CZ 4.41Å; D954-F957 WeakPolarHBondContact O-CD2 3.3Å; D954-F957 PolarHBondContact O-N 2.94Å; D954-F957 WeakPolarHBondContact OD2-CD2 3.49Å; D954-F957 WeakPolarHBondContact OD2-CE2 3.39Å; P955-F957 PolarHBondContact O-N 3Å; F957-L960 HydrophobicContact CD1-CD2 3.51Å; F957-L960 HydrophobicContact CE1-CD2 3.96Å; F957-V974 HydrophobicContact CE1-CG2 3.84Å; F957-V974 HydrophobicContact CZ-CG2 4.29Å; F957-D976 WeakPolarHBondContact CA-OD2 3.35Å; F957-D976 HydrophobicContact CD1-CB 4.01Å; F957-D976 WeakPolarHBondContact CD1-OD2 3.32Å; F957-D976 HydrophobicContact CE1-CB 4.4Å; F957-S983 WeakPolarHBondContact CZ-OG 3.38Å
958	R	83.1	Confident	86.1	Confident	179 Å²	179	40.9 Å²	40.9	68%	0.675	21%	0.212	S	C	*	.			trans	-108.6	-66	-175.4	-72.4	-157.4	-98.8	-129.2	-2.4	113	S856 D976 G978	S856-R958 PolarHBondContact OG-O 2.99Å; R958-D976 PolarHBondContact N-OD2 3.41Å; R958-G978 PolarHBondContact NE-O 3.2Å
959	R	86.9	Confident	86	Confident	131 Å²	131	41 Å²	41	49%	0.494	21%	0.213	S	C	.	.			trans	-138.7	101.2	-174.1	-175.2	-178.2	-179.6	-179.6	-1.2	109.6	A961 D976 Q977 G978	R959-A961 PolarHBondContact O-N 3.39Å; R959-D976 PolarHBondContact N-OD1 2.82Å; R959-D976 CarbonylContact O-C 3.52Å; R959-D976 VanDerWaalsContact O-OD1 3.07Å; R959-Q977 PolarHBondContact O-N 3.41Å; R959-G978 PolarHBondContact O-N 2.92Å
960	L	89.7	Confident	86	Confident	5 Å²	5	41 Å²	41	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.8	178	-62.2	178.1	0	0	0	110.2	T849 S851 G857 F957 V974 V975 D976	T849-L960 VanDerWaalsContact CB-CB 3.49Å; T849-L960 HydrophobicContact CG2-CB 3.7Å; T849-L960 HydrophobicContact CG2-CD1 4.08Å; T849-L960 HydrophobicContact CG2-CG 4.43Å; S851-L960 PolarHBondContact OG-N 3.22Å; G857-L960 WeakPolarHBondContact O-CD1 3.43Å; F957-L960 HydrophobicContact CD1-CD2 3.51Å; F957-L960 HydrophobicContact CE1-CD2 3.96Å; L960-V974 HydrophobicContact CD2-CB 4.24Å; L960-V974 HydrophobicContact CD2-CG2 4.41Å; L960-V975 CarbonylContact C-O 3.53Å; L960-V975 WeakPolarHBondContact CA-O 3.49Å; L960-D976 HydrophobicContact CD2-CB 4Å
961	A	88.8	Confident	86.2	Confident	8 Å²	8	41.2 Å²	41.2	7%	0.066	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-39.7	-173.9	0	0	0	0	0	113.1	F536 G823 G824 R959 V975 Q977	F536-A961 HydrophobicContact CD2-CB 4.14Å; F536-A961 HydrophobicContact CE2-CB 4.45Å; G823-A961 CarbonylContact C-O 3.56Å; G824-A961 WeakPolarHBondContact CA-O 3.49Å; G824-A961 PolarHBondContact N-O 3Å; R959-A961 PolarHBondContact O-N 3.39Å; A961-V975 PolarHBondContact N-O 3.43Å; A961-Q977 HydrophobicContact CB-CB 3.81Å
962	G	91.1	Very high	86.4	Confident	6 Å²	6	41 Å²	41	6%	0.062	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157	-176	0	0	0	0	0	111.9	V975	G962-V975 PolarHBondContact O-N 2.97Å
963	L	95.9	Very high	86.9	Confident	11 Å²	11	38.9 Å²	38.9	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	156.8	168	72.8	154.5	0	0	0	111.7	V538 G824 L847 T849 V858 V972 I973 V974	V538-L963 VanDerWaalsContact CG1-C 3.42Å; G824-L963 WeakPolarHBondContact O-CD2 3.47Å; L847-L963 HydrophobicContact CB-CD1 3.62Å; T849-L963 HydrophobicContact CG2-CB 3.92Å; T849-L963 HydrophobicContact CG2-CD2 3.79Å; T849-L963 HydrophobicContact CG2-CG 4.33Å; V858-L963 HydrophobicContact CG1-CD1 4.27Å; L963-V972 HydrophobicContact CB-CG2 3.78Å; L963-V972 HydrophobicContact CD1-CG2 3.66Å; L963-V972 HydrophobicContact CG-CG2 4.24Å; L963-I973 CarbonylContact C-O 3.6Å; L963-I973 WeakPolarHBondContact CA-O 3.44Å; L963-I973 WeakPolarHBondContact CB-O 3.38Å; L963-V974 HydrophobicContact CB-CG1 4.25Å
964	V	95.1	Very high	87.4	Confident	19 Å²	19	38.6 Å²	38.6	12%	0.115	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	137.1	166.1	67.5	0	0	0	0	109.8	V538 F540 V972 I973	V538-V964 HydrophobicContact CB-CG1 4.32Å; V538-V964 HydrophobicContact CG1-CB 4.03Å; V538-V964 HydrophobicContact CG1-CG1 3.89Å; V538-V964 HydrophobicContact CG2-CB 4.5Å; V538-V964 HydrophobicContact CG2-CG1 3.59Å; F540-V964 HydrophobicContact CB-CG1 4.05Å; F540-V964 HydrophobicContact CB-CG2 3.63Å; V964-V972 WeakPolarHBondContact O-CA 3.24Å; V964-V972 WeakPolarHBondContact O-CG2 3.26Å; V964-I973 HydrophobicContact CG1-CB 3.97Å; V964-I973 HydrophobicContact CG1-CG1 4.31Å; V964-I973 PolarHBondContact N-O 3.3Å; V964-I973 PolarHBondContact O-N 2.94Å
965	T	93.5	Very high	88	Confident	15 Å²	15	37.4 Å²	37.4	9%	0.092	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.5	174.7	46.7	0	0	0	0	110.6	S826 F827 L847	S826-T965 PolarHBondContact OG-N 2.91Å; S826-T965 PolarHBondContact OG-OG1 3.5Å; F827-T965 PolarHBondContact O-OG1 3.16Å; F827-T965 VanDerWaalsContact O-OG1 3.13Å; L847-T965 HydrophobicContact CD1-CG2 3.74Å; L847-T965 HydrophobicContact CD2-CG2 4.09Å; L847-T965 HydrophobicContact CG-CG2 4.42Å
966	L	90.9	Very high	88.7	Confident	8 Å²	8	31.6 Å²	31.6	4%	0.042	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-83.8	149.5	174.5	-60.4	-174.2	0	0	0	110.6	F540 I566 C969 D971 I973	F540-L966 HydrophobicContact CD1-CD2 4.33Å; F540-L966 HydrophobicContact CD2-CD2 3.59Å; F540-L966 HydrophobicContact CE1-CD2 4.32Å; F540-L966 HydrophobicContact CE2-CD2 3.58Å; F540-L966 HydrophobicContact CG-CD2 3.97Å; F540-L966 HydrophobicContact CZ-CD2 3.94Å; I566-L966 HydrophobicContact CG1-CD2 4.43Å; L966-C969 VanDerWaalsContact CB-SG 3.5Å; L966-D971 HydrophobicContact CD1-CB 4.03Å; L966-D971 HydrophobicContact CG-CB 4.47Å; L966-D971 PolarHBondContact N-O 3.37Å; L966-I973 HydrophobicContact CD1-CD1 4.16Å; L966-I973 HydrophobicContact CD1-CG1 4.44Å; L966-I973 HydrophobicContact CD2-CD1 4.36Å; L966-I973 HydrophobicContact CD2-CG1 3.8Å; L966-I973 HydrophobicContact CG-CD1 4.47Å; L966-I973 HydrophobicContact CG-CG1 4.22Å
967	S	84	Confident	89.2	Confident	43 Å²	43	30.5 Å²	30.5	30%	0.301	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	150.7	176.1	58.7	0	0	0	0	110.9	F540 D564 C969	F540-S967 WeakPolarHBondContact CE1-OG 3.48Å; D564-S967 PolarHBondContact OD2-OG 3.2Å; S967-C969 PolarHBondContact O-N 3.45Å; S967-C969 PolarHBondContact O-SG 3.42Å
968	N	76.1	Confident	89.6	Confident	104 Å²	104	31.4 Å²	31.4	56%	0.556	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	16.8	172.1	-56.1	-31.9	0	0	0	116.5
969	C	81.2	Confident	89.8	Confident	37 Å²	37	24 Å²	24	25%	0.25	14%	0.135	C	C	.	.	S	Bend	trans	-150.6	167.5	174.8	64.9	0	0	0	0	110.6	L966 S967 D971	L966-C969 VanDerWaalsContact CB-SG 3.5Å; S967-C969 PolarHBondContact O-N 3.45Å; S967-C969 PolarHBondContact O-SG 3.42Å; C969-D971 VanDerWaalsContact C-N 3.28Å; C969-D971 PolarHBondContact O-N 3.46Å
970	R	86.8	Confident	90.1	Very high	21 Å²	21	22.2 Å²	22.2	8%	0.079	13%	0.133	C	C	.	.	S	Bend	trans	-99.6	48.7	178.4	-65.2	-65.2	-169.3	178.7	10.2	111	S828 D840 G843 Y987 A988	S828-R970 PolarHBondContact OG-NH1 2.96Å; D840-R970 IonicContact OD1-CZ 2.91Å; D840-R970 IonicContact OD1-NH2 2.77Å; D840-R970 PolarHBondContact OD1-NH2 3.23Å; D840-R970 IonicContact OD2-CZ 3.7Å; D840-R970 IonicContact OD2-NE 3.26Å; D840-R970 PolarHBondContact OD2-NE 3.22Å; D840-R970 IonicContact OD2-NH2 3.82Å; D840-R970 PolarHBondContact OD2-NH2 3.07Å; G843-R970 PolarHBondContact O-NH1 3.02Å; G843-R970 PolarHBondContact O-NH2 2.65Å; R970-Y987 HydrophobicContact CB-CD1 4.48Å; R970-Y987 HydrophobicContact CB-CE1 4.14Å; R970-Y987 HydrophobicContact CB-CE2 4.38Å; R970-Y987 VanDerWaalsContact CD-CZ 3.44Å; R970-Y987 WeakPolarHBondContact CD-OH 3.39Å; R970-Y987 PolarHBondContact NH1-OH 3.24Å; R970-Y987 WeakPolarHBondContact O-CD1 3.45Å; R970-Y987 WeakPolarHBondContact O-CE1 3.48Å; R970-Y987 PolarHBondContact O-N 3.44Å; R970-A988 HydrophobicContact CB-CB 3.77Å; R970-A988 HydrophobicContact CG-CB 3.89Å
971	D	91.5	Very high	90.2	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.053	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152	-178.7	-66	18.1	0	0	0	110.7	L966 C969 R984 I985 H986	L966-D971 HydrophobicContact CD1-CB 4.03Å; L966-D971 HydrophobicContact CG-CB 4.47Å; L966-D971 PolarHBondContact N-O 3.37Å; C969-D971 VanDerWaalsContact C-N 3.28Å; C969-D971 PolarHBondContact O-N 3.46Å; D971-R984 IonicContact OD2-CZ 2.86Å; D971-R984 IonicContact OD2-NE 2.72Å; D971-R984 PolarHBondContact OD2-NE 2.7Å; D971-R984 IonicContact OD2-NH2 2.74Å; D971-R984 PolarHBondContact OD2-NH2 3.19Å; D971-I985 WeakPolarHBondContact CA-O 3.14Å; D971-H986 VanDerWaalsContact CG-ND1 3.29Å; D971-H986 IonicContact OD1-CE1 2.68Å; D971-H986 PolarHBondContact OD1-CE1 3.02Å; D971-H986 IonicContact OD1-CG 2.91Å; D971-H986 IonicContact OD1-ND1 3.27Å; D971-H986 PolarHBondContact OD1-ND1 3.41Å; D971-H986 IonicContact OD2-CE1 2.78Å; D971-H986 PolarHBondContact OD2-CE1 3.33Å; D971-H986 IonicContact OD2-ND1 2.78Å; D971-H986 PolarHBondContact OD2-ND1 3.09Å
972	V	93.9	Very high	90.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.5	179.3	62.8	0	0	0	0	109.5	V858 L963 V964 V974 I985 Y987	V858-V972 HydrophobicContact CG2-CG1 4.26Å; L963-V972 HydrophobicContact CB-CG2 3.78Å; L963-V972 HydrophobicContact CD1-CG2 3.66Å; L963-V972 HydrophobicContact CG-CG2 4.24Å; V964-V972 WeakPolarHBondContact O-CA 3.24Å; V964-V972 WeakPolarHBondContact O-CG2 3.26Å; V972-V974 HydrophobicContact CG1-CG1 4.26Å; V972-V974 HydrophobicContact CG2-CG1 4.3Å; V972-I985 HydrophobicContact CG1-CD1 3.92Å; V972-I985 HydrophobicContact CG1-CG1 3.41Å; V972-I985 VanDerWaalsContact CG1-CG1 3.41Å; V972-I985 PolarHBondContact N-O 3.5Å; V972-I985 PolarHBondContact O-N 3.28Å; V972-Y987 HydrophobicContact CB-CD1 4.27Å; V972-Y987 HydrophobicContact CG1-CD1 4.34Å
973	I	95.5	Very high	90.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.5	168.4	-54	-57.8	0	0	0	107.5	W521 V538 I566 L963 V964 L966 I982 S983 R984	W521-I973 HydrophobicContact CH2-CD1 4.01Å; W521-I973 HydrophobicContact CZ2-CD1 3.69Å; V538-I973 HydrophobicContact CG2-CB 4.46Å; V538-I973 HydrophobicContact CG2-CG2 4.01Å; I566-I973 HydrophobicContact CD1-CD1 3.51Å; I566-I973 HydrophobicContact CD1-CG1 3.58Å; I566-I973 HydrophobicContact CG1-CG1 4.08Å; I566-I973 HydrophobicContact CG2-CG1 4.45Å; I566-I973 HydrophobicContact CG2-CG2 4.14Å; L963-I973 CarbonylContact C-O 3.6Å; L963-I973 WeakPolarHBondContact CA-O 3.44Å; L963-I973 WeakPolarHBondContact CB-O 3.38Å; V964-I973 HydrophobicContact CG1-CB 3.97Å; V964-I973 HydrophobicContact CG1-CG1 4.31Å; V964-I973 PolarHBondContact N-O 3.3Å; V964-I973 PolarHBondContact O-N 2.94Å; L966-I973 HydrophobicContact CD1-CD1 4.16Å; L966-I973 HydrophobicContact CD1-CG1 4.44Å; L966-I973 HydrophobicContact CD2-CD1 4.36Å; L966-I973 HydrophobicContact CD2-CG1 3.8Å; L966-I973 HydrophobicContact CG-CD1 4.47Å; L966-I973 HydrophobicContact CG-CG1 4.22Å; I973-I982 HydrophobicContact CG2-CG2 3.42Å; I973-I982 VanDerWaalsContact CG2-CG2 3.42Å; I973-S983 WeakPolarHBondContact CA-O 3.38Å; I973-R984 HydrophobicContact CD1-CB 3.61Å; I973-R984 HydrophobicContact CD1-CG 3.87Å
974	V	94.8	Very high	90.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.9	177.8	-66.7	0	0	0	0	110.2	T849 V858 F957 L960 L963 V972 I982 S983 I985	T849-V974 HydrophobicContact CG2-CG1 4.12Å; V858-V974 HydrophobicContact CG2-CG1 3.64Å; F957-V974 HydrophobicContact CE1-CG2 3.84Å; F957-V974 HydrophobicContact CZ-CG2 4.29Å; L960-V974 HydrophobicContact CD2-CB 4.24Å; L960-V974 HydrophobicContact CD2-CG2 4.41Å; L963-V974 HydrophobicContact CB-CG1 4.25Å; V972-V974 HydrophobicContact CG1-CG1 4.26Å; V972-V974 HydrophobicContact CG2-CG1 4.3Å; V974-I982 WeakPolarHBondContact O-CA 3.26Å; V974-S983 WeakPolarHBondContact CG2-O 3.49Å; V974-S983 PolarHBondContact N-O 2.75Å; V974-S983 PolarHBondContact O-N 3.4Å; V974-I985 HydrophobicContact CG1-CD1 3.98Å; V974-I985 HydrophobicContact CG1-CG1 4.42Å; V974-I985 HydrophobicContact CG2-CD1 4.24Å
975	V	94.2	Very high	90.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.7	175	-179.7	0	0	0	0	108.8	P535 V538 L960 A961 G962 I982	P535-V975 VanDerWaalsContact C-CG1 3.44Å; P535-V975 HydrophobicContact CB-CG1 3.65Å; P535-V975 HydrophobicContact CG-CG1 3.96Å; P535-V975 WeakPolarHBondContact O-CG1 3.34Å; V538-V975 HydrophobicContact CB-CG2 3.71Å; V538-V975 HydrophobicContact CG1-CG2 3.82Å; L960-V975 CarbonylContact C-O 3.53Å; L960-V975 WeakPolarHBondContact CA-O 3.49Å; A961-V975 PolarHBondContact N-O 3.43Å; G962-V975 PolarHBondContact O-N 2.97Å; V975-I982 HydrophobicContact CG2-CG1 4.45Å
976	D	92.6	Very high	90.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	101.9	173.3	-167.4	-21.2	0	0	0	110.4	F957 R958 R959 L960 G978 A979 Q980 N981	F957-D976 WeakPolarHBondContact CA-OD2 3.35Å; F957-D976 HydrophobicContact CD1-CB 4.01Å; F957-D976 WeakPolarHBondContact CD1-OD2 3.32Å; F957-D976 HydrophobicContact CE1-CB 4.4Å; R958-D976 PolarHBondContact N-OD2 3.41Å; R959-D976 PolarHBondContact N-OD1 2.82Å; R959-D976 CarbonylContact O-C 3.52Å; R959-D976 VanDerWaalsContact O-OD1 3.07Å; L960-D976 HydrophobicContact CD2-CB 4Å; D976-G978 VanDerWaalsContact C-N 3.31Å; D976-G978 WeakPolarHBondContact OD1-CA 3.28Å; D976-G978 PolarHBondContact OD1-N 3.19Å; D976-A979 HydrophobicContact CB-CB 4.18Å; D976-A979 VanDerWaalsContact CG-CB 3.46Å; D976-A979 PolarHBondContact OD1-N 3.26Å; D976-A979 WeakPolarHBondContact OD2-CB 3.33Å; D976-Q980 VanDerWaalsContact O-CA 3.28Å; D976-Q980 WeakPolarHBondContact O-CA 3.41Å; D976-Q980 PolarHBondContact O-N 2.85Å; D976-N981 WeakPolarHBondContact CB-OD1 3.47Å; D976-N981 PolarHBondContact N-O 3.33Å; D976-N981 PolarHBondContact O-N 3.18Å
977	Q	90.2	Very high	90	Very high	34 Å²	34	24.5 Å²	24.5	16%	0.159	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-33.3	176.3	-172.7	-175.1	45.1	0	0	111.7	Q534 R959 A961	Q534-Q977 HydrophobicContact CG-CG 4.13Å; R959-Q977 PolarHBondContact O-N 3.41Å; A961-Q977 HydrophobicContact CB-CB 3.81Å
978	G	85.7	Confident	89.8	Confident	29 Å²	29	24 Å²	24	30%	0.299	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-30.8	-176.6	0	0	0	0	0	113.7	R958 R959 D976	R958-G978 PolarHBondContact NE-O 3.2Å; R959-G978 PolarHBondContact O-N 2.92Å; D976-G978 VanDerWaalsContact C-N 3.31Å; D976-G978 WeakPolarHBondContact OD1-CA 3.28Å; D976-G978 PolarHBondContact OD1-N 3.19Å
979	A	87.6	Confident	90.5	Very high	23 Å²	23	20.1 Å²	20.1	19%	0.19	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	1	172.9	0	0	0	0	0	113.2	D976 N981	D976-A979 HydrophobicContact CB-CB 4.18Å; D976-A979 VanDerWaalsContact CG-CB 3.46Å; D976-A979 PolarHBondContact OD1-N 3.26Å; D976-A979 WeakPolarHBondContact OD2-CB 3.33Å; A979-N981 VanDerWaalsContact C-N 3.34Å; A979-N981 VanDerWaalsContact CB-ND2 3.3Å; A979-N981 WeakPolarHBondContact CB-ND2 3.38Å; A979-N981 PolarHBondContact O-N 3.4Å
980	Q	92.2	Very high	91	Very high	93 Å²	93	19.2 Å²	19.2	44%	0.435	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	49.7	178.5	-66.3	176.9	7.9	0	0	112.3	L532 D976	L532-Q980 HydrophobicContact CB-CB 4.43Å; L532-Q980 WeakPolarHBondContact O-CB 3.37Å; L532-Q980 VanDerWaalsContact O-CD 3.24Å; L532-Q980 WeakPolarHBondContact O-CG 3.4Å; L532-Q980 PolarHBondContact O-OE1 3.25Å; D976-Q980 VanDerWaalsContact O-CA 3.28Å; D976-Q980 WeakPolarHBondContact O-CA 3.41Å; D976-Q980 PolarHBondContact O-N 2.85Å
981	N	92.7	Very high	91.2	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.5	-178.1	73.7	49.4	0	0	0	112.3	L523 K524 D976 A979	L523-N981 VanDerWaalsContact O-CA 3.3Å; L523-N981 WeakPolarHBondContact O-CA 3.45Å; L523-N981 WeakPolarHBondContact O-CB 3.27Å; K524-N981 HydrophobicContact CG-CB 3.83Å; D976-N981 WeakPolarHBondContact CB-OD1 3.47Å; D976-N981 PolarHBondContact N-O 3.33Å; D976-N981 PolarHBondContact O-N 3.18Å; A979-N981 VanDerWaalsContact C-N 3.34Å; A979-N981 VanDerWaalsContact CB-ND2 3.3Å; A979-N981 WeakPolarHBondContact CB-ND2 3.38Å; A979-N981 PolarHBondContact O-N 3.4Å
982	I	93.8	Very high	91.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.3	170.4	-52.9	127.8	0	0	0	107.2	W521 S522 L523 L532 V568 L579 I973 V974 V975	W521-I982 HydrophobicContact CH2-CG2 4.45Å; W521-I982 HydrophobicContact CZ3-CG2 4.34Å; S522-I982 CarbonylContact C-O 3.5Å; S522-I982 WeakPolarHBondContact CA-O 3.46Å; S522-I982 PolarHBondContact OG-O 2.62Å; L523-I982 HydrophobicContact CB-CD1 4.41Å; L523-I982 HydrophobicContact CD2-CD1 4.07Å; L523-I982 PolarHBondContact N-O 2.95Å; L523-I982 PolarHBondContact O-N 2.97Å; L532-I982 HydrophobicContact CD1-CD1 3.41Å; L532-I982 VanDerWaalsContact CD1-CD1 3.41Å; L532-I982 HydrophobicContact CD1-CG1 3.98Å; V568-I982 HydrophobicContact CB-CD1 4.09Å; V568-I982 HydrophobicContact CG1-CD1 3.68Å; V568-I982 HydrophobicContact CG1-CG1 3.88Å; V568-I982 HydrophobicContact CG2-CD1 3.86Å; V568-I982 HydrophobicContact CG2-CG1 4.15Å; V568-I982 HydrophobicContact CG2-CG2 4.43Å; L579-I982 HydrophobicContact CD1-CD1 4.31Å; I973-I982 HydrophobicContact CG2-CG2 3.42Å; I973-I982 VanDerWaalsContact CG2-CG2 3.42Å; V974-I982 WeakPolarHBondContact O-CA 3.26Å; V975-I982 HydrophobicContact CG2-CG1 4.45Å
983	S	93.6	Very high	91	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.8	178.5	-58.3	0	0	0	0	112.1	R519 W521 S522 F957 I973 V974	R519-S983 WeakPolarHBondContact CD-OG 3.36Å; W521-S983 WeakPolarHBondContact O-CA 3.06Å; S522-S983 PolarHBondContact OG-OG 3.33Å; F957-S983 WeakPolarHBondContact CZ-OG 3.38Å; I973-S983 WeakPolarHBondContact CA-O 3.38Å; V974-S983 WeakPolarHBondContact CG2-O 3.49Å; V974-S983 PolarHBondContact N-O 2.75Å; V974-S983 PolarHBondContact O-N 3.4Å
984	R	94.3	Very high	90.7	Very high	44 Å²	44	22.2 Å²	22.2	17%	0.166	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131	166.3	179.7	177.4	175.7	176	-2.1	109.8	V520 W521 P581 D971 I973	V520-R984 HydrophobicContact CB-CB 4.09Å; V520-R984 HydrophobicContact CB-CG 4.03Å; V520-R984 HydrophobicContact CG1-CG 4.47Å; V520-R984 HydrophobicContact CG2-CG 4.18Å; V520-R984 PolarHBondContact N-O 3.41Å; W521-R984 HydrophobicContact CD2-CB 3.94Å; W521-R984 VanDerWaalsContact CE2-CB 3.49Å; W521-R984 HydrophobicContact CG-CB 4.25Å; W521-R984 HydrophobicContact CZ2-CB 3.83Å; W521-R984 PolarHBondContact O-N 3.36Å; P581-R984 PolarHBondContact O-NH1 2.88Å; D971-R984 IonicContact OD2-CZ 2.86Å; D971-R984 IonicContact OD2-NE 2.72Å; D971-R984 PolarHBondContact OD2-NE 2.7Å; D971-R984 IonicContact OD2-NH2 2.74Å; D971-R984 PolarHBondContact OD2-NH2 3.19Å; I973-R984 HydrophobicContact CD1-CB 3.61Å; I973-R984 HydrophobicContact CD1-CG 3.87Å
985	I	92.1	Very high	90.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.4	178.1	66.7	175.6	0	0	0	110.7	V858 V953 D971 V972 V974	V858-I985 HydrophobicContact CG2-CD1 3.86Å; V953-I985 HydrophobicContact CG1-CD1 3.57Å; V953-I985 HydrophobicContact CG1-CG2 4.22Å; D971-I985 WeakPolarHBondContact CA-O 3.14Å; V972-I985 HydrophobicContact CG1-CD1 3.92Å; V972-I985 HydrophobicContact CG1-CG1 3.41Å; V972-I985 VanDerWaalsContact CG1-CG1 3.41Å; V972-I985 PolarHBondContact N-O 3.5Å; V972-I985 PolarHBondContact O-N 3.28Å; V974-I985 HydrophobicContact CG1-CD1 3.98Å; V974-I985 HydrophobicContact CG1-CG1 4.42Å; V974-I985 HydrophobicContact CG2-CD1 4.24Å
986	H	90.5	Very high	90.2	Very high	72 Å²	72	25.6 Å²	25.6	33%	0.333	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	150.1	173	-59.2	-63	0	0	0	110.2	L433 Q517 V520 D971	L433-H986 HydrophobicContact CD1-CB 4.19Å; L433-H986 HydrophobicContact CD2-CB 4.17Å; Q517-H986 PolarHBondContact NE2-O 3.49Å; Q517-H986 PolarHBondContact OE1-O 2.65Å; V520-H986 VanDerWaalsContact CG2-NE2 3.34Å; V520-H986 WeakPolarHBondContact CG2-NE2 3.46Å; D971-H986 VanDerWaalsContact CG-ND1 3.29Å; D971-H986 IonicContact OD1-CE1 2.68Å; D971-H986 PolarHBondContact OD1-CE1 3.02Å; D971-H986 IonicContact OD1-CG 2.91Å; D971-H986 IonicContact OD1-ND1 3.27Å; D971-H986 PolarHBondContact OD1-ND1 3.41Å; D971-H986 IonicContact OD2-CE1 2.78Å; D971-H986 PolarHBondContact OD2-CE1 3.33Å; D971-H986 IonicContact OD2-ND1 2.78Å; D971-H986 PolarHBondContact OD2-ND1 3.09Å
987	Y	87.8	Confident	90	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	16%	0.157	C	C	.	.			trans	-125.3	-6.5	172.5	73.3	-96.9	0	0	0	114.1	S828 L847 V860 Y949 R970 V972	S828-Y987 WeakPolarHBondContact CB-OH 3.3Å; L847-Y987 HydrophobicContact CD2-CD1 3.63Å; L847-Y987 HydrophobicContact CD2-CD2 3.83Å; L847-Y987 HydrophobicContact CD2-CE1 3.81Å; L847-Y987 HydrophobicContact CD2-CE2 3.99Å; L847-Y987 HydrophobicContact CD2-CG 3.62Å; V860-Y987 HydrophobicContact CG1-CD2 4.25Å; V860-Y987 HydrophobicContact CG2-CD2 4.12Å; V860-Y987 HydrophobicContact CG2-CG 4.48Å; Y949-Y987 PolarHBondContact OH-O 2.8Å; R970-Y987 HydrophobicContact CB-CD1 4.48Å; R970-Y987 HydrophobicContact CB-CE1 4.14Å; R970-Y987 HydrophobicContact CB-CE2 4.38Å; R970-Y987 VanDerWaalsContact CD-CZ 3.44Å; R970-Y987 WeakPolarHBondContact CD-OH 3.39Å; R970-Y987 PolarHBondContact NH1-OH 3.24Å; R970-Y987 WeakPolarHBondContact O-CD1 3.45Å; R970-Y987 WeakPolarHBondContact O-CE1 3.48Å; R970-Y987 PolarHBondContact O-N 3.44Å; V972-Y987 HydrophobicContact CB-CD1 4.27Å; V972-Y987 HydrophobicContact CG1-CD1 4.34Å
988	A	79.2	Confident	89.9	Confident	33 Å²	33	27.2 Å²	27.2	27%	0.273	16%	0.156	S	C	.	.			trans	-144.8	0	169.6	0	0	0	0	0	111	Y434 L842 R970	Y434-A988 WeakPolarHBondContact CB-OXT 2.97Å; Y434-A988 PolarHBondContact N-OXT 3.03Å; L842-A988 HydrophobicContact CD1-CB 3.32Å; R970-A988 HydrophobicContact CB-CB 3.77Å; R970-A988 HydrophobicContact CG-CB 3.89Å

Retrieved 988 of 988 residues in 243.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).