A0A3Q0KFC5_SCHMA Loading...

Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase

Bifunctional inositol kinase that acts in concert with the IP6K kinases to synthesize the diphosphate group-containing inositol pyrophosphates diphosphoinositol pentakisphosphate, PP-InsP5, and bis-diphosphoinositol tetrakisphosphate, (PP)2-InsP4. PP-InsP5 and (PP)2-InsP4, also respectively called InsP7 and InsP8, may regulate a variety of cellular processes, including apoptosis, vesicle trafficking, cytoskeletal dynamics, and exocytosis. Phosphorylates inositol hexakisphosphate (InsP6).

AlphaFold DB (A0A3Q0KFC1), UniProt , Accession A0A3Q0KFC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,602 aa.

						>A0A3Q0KFC5_SCHMA|A0A3Q0KFC5
MNERADDSDVVVTIGVCAMAKKAMSKPMKEILRRMDKFQHIKIIIFDEKMILDSPIESWPICDALVSFYSEGFPLKKAIAYSKLRKPYLVNDLESQYILMDRRRVYECLTREGVPVPRYAFVDRTSENPVKVVELDDSIEINGEVFHKPFVEKPLHAEDHNIYIYFPSSAGGGSQRLFRKVGNRSSKYFPHSNIRTNGSYMYEEFMPTDGTDVKVYTVADDYAHAEARKSPALDGKVERDHEGKEVRYPVILTPREKIIAKKVAKAVRQQICGFDLLRANGMSYVCDVNGFSFVKSSKKYYDDCSHILGVLITRKIAPRLCLPTNLPPGTDVDTPLVPTTCGAIMELRCVIAVIRHGDRTPKQKMKMEVCHQKFFSFFTKYAGGWARELKIKRPTQLQEILDIVRSILEEIDSGQCTDNCLLRIKPKFEQLKYVLEMYGSFSGINRKIQLKYQPHGIGKGSKIGYSSSIPISCDCTDECDNTQPCLLVVAKWGGELTAAGKQQAETLGKAFRCIYPGGDGHYGKDPGLGLLRLHSTYRHDLKIYASDEGRVQMTAAAFAKGFLALEGELPPILVQMVKSANTNGLLDNDNDCRHYQQMVKRRINEVMSKNSDFTAEDIATLVPTGARSIINAMQYVSSPYKACGRLFEHVRLLSNRLAWLSRSSKERSRIHLYQGESWDLLLRRWGKLLKDFRSPEGEYDLSKISDIYDNIKYDLQHNSGILLESEVQDFFMCAKSLADIIVPQEYGITKEEKLVIGQRICTPLMRKILSDARYTDVDECTRLHAGHRPNHGEPCPDCYSKGVASPERFVRSRLYFTSESHIHSLLTCLRYGELANIVTDEQWRRAMDYVSSISEINYLAQIVIMIYEDPTVEPKTEKRFHVELHFSPGAFALCHDLPEGSGFRSGKLVRLNSQMSVMSSGTSVDKGSSDSVPQSAIPSVTPIVPASEQDKKGLFDRCSSRQTEQSSEYHQNLGSFDSSECSFSESSANDKASDLFRWSFDSDRNTYEVFKNQAETFNDSSLIEECPVRRSHSVRCNLASNNSRENIVNHEETLIVNHRSQSQGRPSVLPLSPVPSTSTLELTGTPTASNTEVGIGRFTVTRFTDNKSGSGPTFPSESKTDKLLSTSPYTNKLKTYHLRHFSRSNFCQHSARNRSNSCHPDVYRRTNLTTTLLSKPRYSCISKLLQTTGKLNDFGKFKKYDYNEQLSFECSCSNTNSSHFAPVIQWLSKQSEHLVKSDEKDDNEDHKSNPINIEDKKVREMPKWLTSGTRKMYDSAGSNNSTSLNQHNSTCSVHSSKNQDLTSTSTRVRLTPLSSDEPVSFNTNESTQFTMDLPLNQINSQPVNNFLSSGADSGVDDDPVINQTLNAITYPSRQSPYHLDIGRLVRETEQIYRRFSSAAPVASGVPFAPPICRSLISTAVIRGSRDDNQASSSVPDFKRLTEDISVAPRTLTPGSSQEFLVPSAPCVPEVYPLETLHNALTLSQLEAFLVRLTTHKFPTPFTSPKHPSTPVNYYHHHHQPQLSQTTLESFSQYHDLCTNLSSSLPNSTGDDTATQDCPSVADEASAQLQQPVLSNETPNVMSIIPSASLFHEITSRNTDDQQ
					

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	30	Very low	50	Low	240 Å²	240	132.3 Å²	132.3	100%	1.182	70%	0.697	S	S	*	*				0	128.9	0	-64.7	170.9	179.2	0	0	106.6
2	N	32.5	Very low	53.3	Low	165 Å²	165	121.5 Å²	121.5	88%	0.882	64%	0.641	S	S	*	*			trans	-153	145.4	163.7	-98.4	-11.5	0	0	0	108.6
3	E	36.3	Very low	56.5	Low	185 Å²	185	113.9 Å²	113.9	86%	0.864	60%	0.602	S	S	*	*			trans	-21	116.4	-175.6	-64.3	166.8	163.6	0	0	117.7
4	R	37.3	Very low	59.3	Low	217 Å²	217	105.9 Å²	105.9	82%	0.819	56%	0.56	S	S	*	*			trans	-82.3	100.2	142.6	-71	-176.7	-178.5	175.6	0.4	106.7
5	A	43.2	Very low	61.8	Low	81 Å²	81	98.8 Å²	98.8	67%	0.669	52%	0.522	S	S	*	.			trans	-69.1	154.7	164.1	0	0	0	0	0	109.7	D7	A5-D7 PolarHBondContact O-N 3.3Å
6	D	44.7	Very low	64	Low	137 Å²	137	92.6 Å²	92.6	73%	0.733	49%	0.49	S	S	*	.			trans	-78.8	106.6	180	-123.4	-23.6	0	0	0	109.8	S8	D6-S8 PolarHBondContact O-N 3.22Å; D6-S8 VanDerWaalsContact O-N 3.08Å
7	D	51.4	Low	66	Low	90 Å²	90	87.2 Å²	87.2	48%	0.481	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-68.4	-1.6	-179	-89.2	-42.1	0	0	0	113.3	A5 D9	A5-D7 PolarHBondContact O-N 3.3Å; D7-D9 VanDerWaalsContact C-N 3.32Å; D7-D9 PolarHBondContact O-N 3.36Å
8	S	53.6	Low	67.7	Low	76 Å²	76	82.4 Å²	82.4	53%	0.531	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-67	-28.1	178.7	58.6	0	0	0	0	114.4	D6	D6-S8 PolarHBondContact O-N 3.22Å; D6-S8 VanDerWaalsContact O-N 3.08Å
9	D	61	Low	69.2	Low	132 Å²	132	79.1 Å²	79.1	71%	0.706	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-99.1	-3.2	-166.7	-75.9	20	0	0	0	113.6	D7 V11	D7-D9 VanDerWaalsContact C-N 3.32Å; D7-D9 PolarHBondContact O-N 3.36Å; D9-V11 PolarHBondContact O-N 3.3Å
10	V	73.5	Confident	70.5	Confident	62 Å²	62	77 Å²	77	38%	0.376	41%	0.412	S	S	.	.			trans	-78.4	106	-178.4	-172	0	0	0	0	110.3	H40 A317 L320	V10-H40 PolarHBondContact O-ND1 2.76Å; V10-A317 HydrophobicContact CG1-CB 4.5Å; V10-L320 HydrophobicContact CB-CD1 4.09Å; V10-L320 HydrophobicContact CB-CD2 4.3Å; V10-L320 HydrophobicContact CB-CG 4.49Å; V10-L320 HydrophobicContact CG1-CD1 3.82Å; V10-L320 HydrophobicContact CG1-CG 4.38Å
11	V	86.4	Confident	71.6	Confident	70 Å²	70	81.4 Å²	81.4	42%	0.424	43%	0.428	S	S	.	.			trans	-117.7	118.8	178.2	179.6	0	0	0	0	110.5	D9 H40 K42	D9-V11 PolarHBondContact O-N 3.3Å; V11-H40 CarbonylContact C-O 3.59Å; V11-K42 HydrophobicContact CG1-CB 3.6Å
12	V	89.9	Confident	74.6	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.018	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.5	175.1	179.6	0	0	0	0	109.7	H40 I41 K42 D63 I312 I316 A317	V12-H40 PolarHBondContact N-O 3.5Å; V12-I41 WeakPolarHBondContact O-CA 3.4Å; V12-K42 PolarHBondContact O-N 3.48Å; V12-D63 HydrophobicContact CG1-CB 4.38Å; V12-I312 HydrophobicContact CG1-CG2 4.02Å; V12-I316 HydrophobicContact CG1-CB 4.4Å; V12-I316 HydrophobicContact CG1-CD1 3.82Å; V12-I316 HydrophobicContact CG1-CG2 4.24Å; V12-I316 HydrophobicContact CG2-CG2 4.24Å; V12-A317 HydrophobicContact CG2-CB 3.91Å
13	T	94.5	Very high	77.5	Confident	23 Å²	23	65.8 Å²	65.8	14%	0.141	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.9	-179.5	-56.6	0	0	0	0	111	K42 I44 C62 D63 A64	T13-K42 CarbonylContact C-O 3.51Å; T13-K42 WeakPolarHBondContact CA-O 3.24Å; T13-I44 HydrophobicContact CG2-CD1 3.47Å; T13-I44 VanDerWaalsContact CG2-CD1 3.47Å; T13-I44 HydrophobicContact CG2-CG1 3.88Å; T13-C62 HydrophobicContact CG2-CB 4.06Å; T13-C62 WeakPolarHBondContact O-CB 3.4Å; T13-D63 WeakPolarHBondContact CA-OD2 3.44Å; T13-D63 VanDerWaalsContact CB-OD2 3.28Å; T13-D63 WeakPolarHBondContact CB-OD2 3.45Å; T13-D63 PolarHBondContact N-OD2 2.82Å; T13-D63 PolarHBondContact O-N 3.35Å; T13-A64 PolarHBondContact O-N 3.14Å; T13-A64 VanDerWaalsContact O-N 3.09Å
14	I	95.7	Very high	80.2	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.5	-179.4	-54.4	-177.9	0	0	0	109.6	M35 I41 K42 I44 A64 V66 I312	I14-M35 HydrophobicContact CD1-CE 3.53Å; I14-I41 HydrophobicContact CD1-CD1 4.16Å; I14-I41 HydrophobicContact CD1-CG2 3.49Å; I14-I41 VanDerWaalsContact CD1-CG2 3.49Å; I14-I41 HydrophobicContact CG1-CG2 4.02Å; I14-K42 PolarHBondContact N-O 3.06Å; I14-I44 PolarHBondContact O-N 3.38Å; I14-A64 WeakPolarHBondContact CA-O 3.3Å; I14-A64 HydrophobicContact CB-CB 4.48Å; I14-A64 HydrophobicContact CG1-CB 4.09Å; I14-A64 HydrophobicContact CG2-CB 4.33Å; I14-V66 HydrophobicContact CG2-CG2 4.07Å; I14-I312 HydrophobicContact CD1-CD1 3.78Å; I14-I312 HydrophobicContact CD1-CG2 4Å; I14-I312 HydrophobicContact CG1-CG2 4.23Å; I14-I312 HydrophobicContact CG2-CD1 4.45Å
15	G	96.8	Very high	82.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129	173.4	0	0	0	0	0	111.6	I44 A64 V66	G15-I44 CarbonylContact C-O 3.55Å; G15-I44 WeakPolarHBondContact CA-O 3.34Å; G15-A64 PolarHBondContact N-O 3.16Å; G15-V66 PolarHBondContact O-N 3.34Å
16	V	97.4	Very high	85.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	102.7	172	-176.8	0	0	0	0	108.3	M28 L32 I43 I44 I45 F46 V66	V16-M28 HydrophobicContact CG1-CE 4.13Å; V16-M28 HydrophobicContact CG1-SD 4.27Å; V16-L32 HydrophobicContact CG2-CD1 4.15Å; V16-L32 HydrophobicContact CG2-CD2 3.88Å; V16-I43 HydrophobicContact CG2-CG2 4.1Å; V16-I44 PolarHBondContact N-O 3.05Å; V16-I45 HydrophobicContact CB-CG1 4.32Å; V16-F46 PolarHBondContact O-N 2.74Å; V16-V66 WeakPolarHBondContact CA-O 3.46Å; V16-V66 HydrophobicContact CG2-CB 4.46Å
17	C	97.8	Very high	87.6	Confident	1 Å²	1	51 Å²	51	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	91.1	-174.5	179.4	0	0	0	0	110.7	F46 L65 V66 S67 F73	C17-F46 HydrophobicContact CB-CB 4.3Å; C17-F46 HydrophobicContact CB-CD2 3.68Å; C17-F46 HydrophobicContact CB-CE2 4.12Å; C17-F46 HydrophobicContact CB-CG 4.04Å; C17-L65 HydrophobicContact CB-CD1 3.89Å; C17-V66 PolarHBondContact N-O 3.21Å; C17-S67 VanDerWaalsContact O-CA 3.29Å; C17-S67 WeakPolarHBondContact O-CA 3.35Å; C17-S67 VanDerWaalsContact O-CB 3.22Å; C17-S67 WeakPolarHBondContact O-CB 3.48Å; C17-S67 PolarHBondContact O-OG 2.87Å; C17-F73 WeakPolarHBondContact O-CE2 3.37Å; C17-F73 WeakPolarHBondContact O-CZ 3.46Å
18	A	97	Very high	89.7	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.25	C	S	.	.	S	Bend	trans	-153.3	162.3	175.9	0	0	0	0	0	109.4	K22 F68	A18-K22 HydrophobicContact CB-CB 4.4Å; A18-F68 HydrophobicContact CB-CD1 4.15Å; A18-F68 HydrophobicContact CB-CD2 4.3Å; A18-F68 HydrophobicContact CB-CE1 3.66Å; A18-F68 HydrophobicContact CB-CE2 3.85Å; A18-F68 HydrophobicContact CB-CG 4.45Å; A18-F68 HydrophobicContact CB-CZ 3.5Å; A18-F68 VanDerWaalsContact CB-CZ 3.5Å
19	M	96.8	Very high	91.7	Very high	19 Å²	19	48.1 Å²	48.1	9%	0.094	25%	0.246	C	C	.	.			trans	-52.1	141.9	176.3	-56.3	-55.3	-77.8	0	0	111.4	K21 K22 A23 E48 L52 S70 F73	M19-K21 PolarHBondContact O-N 2.62Å; M19-K21 VanDerWaalsContact O-N 3.14Å; M19-K22 CarbonylContact O-C 3.59Å; M19-K22 WeakPolarHBondContact O-CA 3.43Å; M19-K22 WeakPolarHBondContact O-CB 3.36Å; M19-K22 PolarHBondContact O-N 3.04Å; M19-A23 PolarHBondContact O-N 3.24Å; M19-E48 VanDerWaalsContact CA-OE2 3.28Å; M19-E48 WeakPolarHBondContact CA-OE2 3.37Å; M19-E48 WeakPolarHBondContact CB-OE2 3.22Å; M19-E48 HydrophobicContact CE-CG 3.99Å; M19-E48 WeakPolarHBondContact CE-OE2 3.16Å; M19-E48 HydrophobicContact SD-CG 4.41Å; M19-L52 HydrophobicContact CE-CD1 4.4Å; M19-L52 HydrophobicContact CE-CD2 4.34Å; M19-S70 WeakPolarHBondContact CG-OG 3.48Å; M19-F73 HydrophobicContact CG-CB 3.92Å; M19-F73 HydrophobicContact CG-CD2 4.14Å; M19-F73 HydrophobicContact SD-CB 4.08Å; M19-F73 HydrophobicContact SD-CD2 3.92Å
20	A	94	Very high	93.3	Very high	37 Å²	37	44 Å²	44	31%	0.306	22%	0.223	S	C	.	.	H	α-helix	trans	-54	-36.8	-177.1	0	0	0	0	0	112.3	K22 A23 M24 E48	A20-K22 PolarHBondContact O-N 3.43Å; A20-K22 VanDerWaalsContact O-N 3.14Å; A20-A23 PolarHBondContact O-N 3Å; A20-M24 WeakPolarHBondContact O-CA 3.37Å; A20-M24 VanDerWaalsContact O-CB 3.26Å; A20-M24 WeakPolarHBondContact O-CB 3.48Å; A20-M24 PolarHBondContact O-N 3Å; A20-E48 HydrophobicContact CB-CB 4.04Å; A20-E48 WeakPolarHBondContact CB-OE2 3.17Å; A20-E48 PolarHBondContact N-OE2 3.27Å
21	K	93.3	Very high	94.3	Very high	170 Å²	170	41.1 Å²	41.1	74%	0.739	21%	0.205	S	C	*	.	H	α-helix	trans	-55	-28.6	172.8	-171.3	176.6	-178.2	179.7	0	113.5	M19	M19-K21 PolarHBondContact O-N 2.62Å; M19-K21 VanDerWaalsContact O-N 3.14Å
22	K	93.8	Very high	94.6	Very high	74 Å²	74	38.5 Å²	38.5	32%	0.322	19%	0.189	S	C	.	.	H	α-helix	trans	-95.7	-50.6	174.1	-61.9	-69.6	-166.7	85.1	0	111.5	A18 M19 A20 M24 S25 F68	A18-K22 HydrophobicContact CB-CB 4.4Å; M19-K22 CarbonylContact O-C 3.59Å; M19-K22 WeakPolarHBondContact O-CA 3.43Å; M19-K22 WeakPolarHBondContact O-CB 3.36Å; M19-K22 PolarHBondContact O-N 3.04Å; A20-K22 PolarHBondContact O-N 3.43Å; A20-K22 VanDerWaalsContact O-N 3.14Å; K22-M24 VanDerWaalsContact C-N 3.35Å; K22-M24 PolarHBondContact O-N 3.38Å; K22-S25 WeakPolarHBondContact O-CB 3.4Å; K22-S25 PolarHBondContact O-N 3.02Å; K22-S25 PolarHBondContact O-OG 2.8Å; K22-F68 HydrophobicContact CB-CE2 3.66Å; K22-F68 HydrophobicContact CB-CZ 3.83Å; K22-F68 HydrophobicContact CD-CE2 4.21Å; K22-F68 HydrophobicContact CG-CE2 3.85Å
23	A	93.4	Very high	94.8	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-37.3	-176.6	0	0	0	0	0	113.1	M19 A20 M28 I45	M19-A23 PolarHBondContact O-N 3.24Å; A20-A23 PolarHBondContact O-N 3Å; A23-M28 WeakPolarHBondContact O-CB 3.21Å; A23-M28 WeakPolarHBondContact O-CG 3.32Å; A23-I45 HydrophobicContact CB-CG2 4.02Å
24	M	93.3	Very high	94.6	Very high	104 Å²	104	45 Å²	45	51%	0.512	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	11.4	178.8	-63.7	-62.8	-115.1	0	0	113.8	A20 K22 K29 I45	A20-M24 WeakPolarHBondContact O-CA 3.37Å; A20-M24 VanDerWaalsContact O-CB 3.26Å; A20-M24 WeakPolarHBondContact O-CB 3.48Å; A20-M24 PolarHBondContact O-N 3Å; K22-M24 VanDerWaalsContact C-N 3.35Å; K22-M24 PolarHBondContact O-N 3.38Å; M24-K29 WeakPolarHBondContact O-CD 3.39Å; M24-K29 WeakPolarHBondContact O-CE 3.24Å; M24-K29 PolarHBondContact O-NZ 3.18Å; M24-I45 HydrophobicContact SD-CD1 4.45Å
25	S	94	Very high	94.2	Very high	38 Å²	38	45 Å²	45	27%	0.266	21%	0.211	S	C	.	.	S	Bend	trans	-68.4	154.3	176.9	71.4	0	0	0	0	112.3	K22 M28 K29	K22-S25 WeakPolarHBondContact O-CB 3.4Å; K22-S25 PolarHBondContact O-N 3.02Å; K22-S25 PolarHBondContact O-OG 2.8Å; S25-M28 PolarHBondContact O-N 2.93Å; S25-K29 PolarHBondContact O-N 3.38Å
26	K	93	Very high	93.6	Very high	149 Å²	149	49.7 Å²	49.7	65%	0.648	24%	0.235	S	C	*	.	H	α-helix	trans	-57.5	-45.3	180	-176.9	169.2	-178.5	171.2	0	113.4	M28 K29 E30	K26-M28 PolarHBondContact O-N 3.48Å; K26-K29 PolarHBondContact O-N 3.49Å; K26-E30 HydrophobicContact CG-CG 4.16Å; K26-E30 WeakPolarHBondContact O-CB 3.5Å; K26-E30 VanDerWaalsContact O-CG 3.28Å; K26-E30 WeakPolarHBondContact O-CG 3.35Å; K26-E30 PolarHBondContact O-N 2.71Å
27	P	93.6	Very high	92.8	Very high	18 Å²	18	56.6 Å²	56.6	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-45.4	175.6	-27.1	37.3	0	0	0	113.2	E30 I31 F293 K295 Y301	P27-E30 PolarHBondContact O-N 3.11Å; P27-I31 WeakPolarHBondContact O-CG1 3.22Å; P27-I31 PolarHBondContact O-N 2.81Å; P27-F293 HydrophobicContact CB-CB 3.93Å; P27-F293 HydrophobicContact CB-CD2 4.13Å; P27-F293 HydrophobicContact CB-CG 4.5Å; P27-K295 HydrophobicContact CG-CG 4.33Å; P27-Y301 HydrophobicContact CB-CE1 3.8Å; P27-Y301 HydrophobicContact CG-CE1 4.41Å
28	M	95.3	Very high	92	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-49.8	178.4	-174.7	64.9	80	0	0	111	V16 A23 S25 K26 E30 I31 L32 F68 F291 F293	V16-M28 HydrophobicContact CG1-CE 4.13Å; V16-M28 HydrophobicContact CG1-SD 4.27Å; A23-M28 WeakPolarHBondContact O-CB 3.21Å; A23-M28 WeakPolarHBondContact O-CG 3.32Å; S25-M28 PolarHBondContact O-N 2.93Å; K26-M28 PolarHBondContact O-N 3.48Å; M28-E30 VanDerWaalsContact C-N 3.32Å; M28-E30 PolarHBondContact O-N 2.94Å; M28-I31 PolarHBondContact O-N 2.91Å; M28-I31 VanDerWaalsContact O-N 3.13Å; M28-L32 HydrophobicContact CG-CD1 3.7Å; M28-L32 HydrophobicContact CG-CG 4.07Å; M28-L32 WeakPolarHBondContact O-CG 3.34Å; M28-L32 PolarHBondContact O-N 3.37Å; M28-L32 HydrophobicContact SD-CD1 3.93Å; M28-L32 HydrophobicContact SD-CD2 4.04Å; M28-L32 HydrophobicContact SD-CG 3.89Å; M28-F68 HydrophobicContact CE-CE1 3.7Å; M28-F68 HydrophobicContact CE-CZ 3.84Å; M28-F291 HydrophobicContact CE-CE1 4.06Å; M28-F291 HydrophobicContact CE-CZ 3.94Å; M28-F293 HydrophobicContact CE-CE2 3.79Å; M28-F293 HydrophobicContact CE-CZ 4.47Å; M28-F293 HydrophobicContact SD-CE2 3.83Å; M28-F293 HydrophobicContact SD-CZ 4.48Å
29	K	94.6	Very high	91.2	Very high	103 Å²	103	67.8 Å²	67.8	45%	0.448	32%	0.317	S	S	.	.	H	α-helix	trans	-58.3	-40.1	177.3	-76.5	172	170.2	157.6	0	113.2	M24 S25 K26 R33	M24-K29 WeakPolarHBondContact O-CD 3.39Å; M24-K29 WeakPolarHBondContact O-CE 3.24Å; M24-K29 PolarHBondContact O-NZ 3.18Å; S25-K29 PolarHBondContact O-N 3.38Å; K26-K29 PolarHBondContact O-N 3.49Å; K29-R33 WeakPolarHBondContact O-CB 3.31Å; K29-R33 PolarHBondContact O-N 2.82Å; K29-R33 VanDerWaalsContact O-N 3.15Å
30	E	94.6	Very high	90.5	Very high	47 Å²	47	69.7 Å²	69.7	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-67.7	-34.2	177.2	-72.4	-77.2	-174	0	0	112.7	K26 P27 M28 R33 R34 Y301	K26-E30 HydrophobicContact CG-CG 4.16Å; K26-E30 WeakPolarHBondContact O-CB 3.5Å; K26-E30 VanDerWaalsContact O-CG 3.28Å; K26-E30 WeakPolarHBondContact O-CG 3.35Å; K26-E30 PolarHBondContact O-N 2.71Å; P27-E30 PolarHBondContact O-N 3.11Å; M28-E30 VanDerWaalsContact C-N 3.32Å; M28-E30 PolarHBondContact O-N 2.94Å; E30-R33 IonicContact OE2-NH2 3.15Å; E30-R34 VanDerWaalsContact O-CD 3.23Å; E30-R34 WeakPolarHBondContact O-CD 3.29Å; E30-R34 VanDerWaalsContact O-CG 3.29Å; E30-R34 WeakPolarHBondContact O-CG 3.4Å; E30-R34 PolarHBondContact O-NH1 2.62Å; E30-R34 IonicContact OE2-CZ 3.12Å; E30-R34 IonicContact OE2-NH1 3.38Å; E30-R34 PolarHBondContact OE2-NH1 3.15Å; E30-Y301 HydrophobicContact CB-CD1 4.37Å; E30-Y301 HydrophobicContact CB-CD2 3.52Å; E30-Y301 HydrophobicContact CB-CE2 3.92Å; E30-Y301 HydrophobicContact CB-CG 3.78Å; E30-Y301 HydrophobicContact CG-CD2 3.96Å; E30-Y301 HydrophobicContact CG-CE2 3.96Å
31	I	94.3	Very high	90.3	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-76.2	-49.2	177.5	-70.8	165	0	0	0	111.1	P27 M28 R33 R34 M35 F293 Y300 Y301 C304 S305	P27-I31 WeakPolarHBondContact O-CG1 3.22Å; P27-I31 PolarHBondContact O-N 2.81Å; M28-I31 PolarHBondContact O-N 2.91Å; M28-I31 VanDerWaalsContact O-N 3.13Å; I31-R33 PolarHBondContact O-N 2.67Å; I31-R34 WeakPolarHBondContact O-CB 3.31Å; I31-R34 PolarHBondContact O-N 2.65Å; I31-M35 HydrophobicContact CG2-SD 4.12Å; I31-M35 PolarHBondContact O-N 3.27Å; I31-F293 HydrophobicContact CD1-CD1 3.81Å; I31-F293 HydrophobicContact CD1-CD2 3.68Å; I31-F293 HydrophobicContact CD1-CE1 3.69Å; I31-F293 HydrophobicContact CD1-CE2 3.56Å; I31-F293 HydrophobicContact CD1-CG 3.8Å; I31-F293 HydrophobicContact CD1-CZ 3.56Å; I31-Y300 HydrophobicContact CD1-CE1 4.35Å; I31-Y301 HydrophobicContact CD1-CD1 4.01Å; I31-Y301 HydrophobicContact CG1-CD1 3.87Å; I31-Y301 HydrophobicContact CG1-CG 4.27Å; I31-C304 HydrophobicContact CD1-CB 4.2Å; I31-C304 HydrophobicContact CG1-CB 4.49Å; I31-S305 WeakPolarHBondContact O-CB 3.39Å
32	L	94	Very high	90.3	Very high	15 Å²	15	66.2 Å²	66.2	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-45	-178.9	-61.2	179.1	0	0	0	111.4	V16 M28 R34 M35 D36 I43 I45	V16-L32 HydrophobicContact CG2-CD1 4.15Å; V16-L32 HydrophobicContact CG2-CD2 3.88Å; M28-L32 HydrophobicContact CG-CD1 3.7Å; M28-L32 HydrophobicContact CG-CG 4.07Å; M28-L32 WeakPolarHBondContact O-CG 3.34Å; M28-L32 PolarHBondContact O-N 3.37Å; M28-L32 HydrophobicContact SD-CD1 3.93Å; M28-L32 HydrophobicContact SD-CD2 4.04Å; M28-L32 HydrophobicContact SD-CG 3.89Å; L32-R34 PolarHBondContact O-N 3.04Å; L32-M35 HydrophobicContact CD2-SD 4.46Å; L32-M35 WeakPolarHBondContact O-CA 3.34Å; L32-M35 WeakPolarHBondContact O-CB 3.39Å; L32-M35 PolarHBondContact O-N 2.72Å; L32-D36 PolarHBondContact O-N 2.99Å; L32-I43 HydrophobicContact CB-CD1 3.93Å; L32-I43 HydrophobicContact CD1-CG2 4.26Å; L32-I43 HydrophobicContact CD2-CD1 3.92Å; L32-I43 HydrophobicContact CD2-CG2 4.09Å; L32-I43 HydrophobicContact CG-CD1 4.48Å; L32-I43 WeakPolarHBondContact O-CD1 3.29Å; L32-I45 HydrophobicContact CD1-CD1 3.79Å; L32-I45 HydrophobicContact CD1-CG1 4.06Å
33	R	93.6	Very high	90.4	Very high	145 Å²	145	64.2 Å²	64.2	55%	0.547	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-15.7	175	-165.8	-169	67.3	80.4	-2.5	114.4	K29 E30 I31 D36	K29-R33 WeakPolarHBondContact O-CB 3.31Å; K29-R33 PolarHBondContact O-N 2.82Å; K29-R33 VanDerWaalsContact O-N 3.15Å; E30-R33 IonicContact OE2-NH2 3.15Å; I31-R33 PolarHBondContact O-N 2.67Å; R33-D36 WeakPolarHBondContact CA-OD2 3.29Å
34	R	90.5	Very high	90.5	Very high	17 Å²	17	66.2 Å²	66.2	6%	0.064	31%	0.306	C	S	.	.	H	α-helix	trans	-96	-33.9	173.3	-69.3	165.9	164.2	79.4	-6.6	112.1	E30 I31 L32 D36 K37 Y301 D302 S305	E30-R34 VanDerWaalsContact O-CD 3.23Å; E30-R34 WeakPolarHBondContact O-CD 3.29Å; E30-R34 VanDerWaalsContact O-CG 3.29Å; E30-R34 WeakPolarHBondContact O-CG 3.4Å; E30-R34 PolarHBondContact O-NH1 2.62Å; E30-R34 IonicContact OE2-CZ 3.12Å; E30-R34 IonicContact OE2-NH1 3.38Å; E30-R34 PolarHBondContact OE2-NH1 3.15Å; I31-R34 WeakPolarHBondContact O-CB 3.31Å; I31-R34 PolarHBondContact O-N 2.65Å; L32-R34 PolarHBondContact O-N 3.04Å; R34-D36 VanDerWaalsContact C-N 3.27Å; R34-K37 VanDerWaalsContact O-CB 3.27Å; R34-K37 WeakPolarHBondContact O-CB 3.23Å; R34-K37 WeakPolarHBondContact O-CG 3.46Å; R34-K37 PolarHBondContact O-N 2.87Å; R34-Y301 WeakPolarHBondContact CD-O 3.5Å; R34-D302 WeakPolarHBondContact CD-OD1 3.19Å; R34-D302 IonicContact CZ-OD1 2.74Å; R34-D302 IonicContact CZ-OD2 3.72Å; R34-D302 IonicContact NE-OD1 2.69Å; R34-D302 PolarHBondContact NE-OD1 3.33Å; R34-D302 IonicContact NE-OD2 3.18Å; R34-D302 PolarHBondContact NE-OD2 3.4Å; R34-D302 VanDerWaalsContact NE-OD2 3.12Å; R34-D302 IonicContact NH2-OD1 3.66Å; R34-D302 IonicContact NH2-OD2 3.88Å; R34-D302 PolarHBondContact NH2-OD2 2.92Å; R34-S305 VanDerWaalsContact CB-CB 3.44Å; R34-S305 WeakPolarHBondContact CB-OG 3.4Å
35	M	87.5	Confident	90.7	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-32.1	171.2	-68.7	-178.7	70.3	0	0	111.7	I14 I31 L32 K37 F38 I43 S305 L308 I312	I14-M35 HydrophobicContact CD1-CE 3.53Å; I31-M35 HydrophobicContact CG2-SD 4.12Å; I31-M35 PolarHBondContact O-N 3.27Å; L32-M35 HydrophobicContact CD2-SD 4.46Å; L32-M35 WeakPolarHBondContact O-CA 3.34Å; L32-M35 WeakPolarHBondContact O-CB 3.39Å; L32-M35 PolarHBondContact O-N 2.72Å; M35-K37 PolarHBondContact O-N 3.5Å; M35-F38 WeakPolarHBondContact O-CB 3.47Å; M35-F38 WeakPolarHBondContact O-CD2 3.38Å; M35-F38 PolarHBondContact O-N 2.9Å; M35-I43 HydrophobicContact CB-CD1 3.63Å; M35-S305 WeakPolarHBondContact CG-O 3.41Å; M35-L308 HydrophobicContact CE-CB 4.21Å; M35-L308 HydrophobicContact CE-CD2 4.26Å; M35-L308 HydrophobicContact SD-CB 4.31Å; M35-L308 HydrophobicContact SD-CD2 4.19Å; M35-I312 HydrophobicContact CE-CD1 4.29Å
36	D	84.6	Confident	90.8	Very high	97 Å²	97	63 Å²	63	52%	0.519	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-9.6	170.7	-64.7	-35.2	0	0	0	114.2	L32 R33 R34 I43	L32-D36 PolarHBondContact O-N 2.99Å; R33-D36 WeakPolarHBondContact CA-OD2 3.29Å; R34-D36 VanDerWaalsContact C-N 3.27Å; D36-I43 WeakPolarHBondContact OD1-CD1 3.43Å
37	K	80.7	Confident	90.9	Very high	146 Å²	146	60.6 Å²	60.6	64%	0.635	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.3	172.7	-61.8	177	178	177.2	0	113.6	R34 M35 Q39	R34-K37 VanDerWaalsContact O-CB 3.27Å; R34-K37 WeakPolarHBondContact O-CB 3.23Å; R34-K37 WeakPolarHBondContact O-CG 3.46Å; R34-K37 PolarHBondContact O-N 2.87Å; M35-K37 PolarHBondContact O-N 3.5Å; K37-Q39 PolarHBondContact O-N 3.22Å
38	F	80.1	Confident	91.1	Very high	54 Å²	54	62.8 Å²	62.8	24%	0.237	29%	0.29	C	S	.	.	S	Bend	trans	-78.6	113.4	177.8	-75.9	-108.3	0	0	0	108.6	M35 H40 I41 V310	M35-F38 WeakPolarHBondContact O-CB 3.47Å; M35-F38 WeakPolarHBondContact O-CD2 3.38Å; M35-F38 PolarHBondContact O-N 2.9Å; F38-H40 PolarHBondContact O-N 2.95Å; F38-I41 HydrophobicContact CB-CB 3.85Å; F38-I41 HydrophobicContact CB-CD1 3.58Å; F38-I41 HydrophobicContact CB-CG1 3.66Å; F38-I41 HydrophobicContact CD1-CD1 3.94Å; F38-I41 HydrophobicContact CD2-CD1 4.24Å; F38-I41 HydrophobicContact CG-CD1 3.69Å; F38-I41 HydrophobicContact CG-CG1 4.33Å; F38-I41 PolarHBondContact O-N 3.15Å; F38-V310 HydrophobicContact CE1-CG2 4.19Å; F38-V310 HydrophobicContact CZ-CG2 4.3Å
39	Q	79.5	Confident	91.1	Very high	183 Å²	183	69.3 Å²	69.3	86%	0.855	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.8	-173.2	-68.7	178.8	-20.8	0	0	114.2	K37	K37-Q39 PolarHBondContact O-N 3.22Å
40	H	83.5	Confident	91.2	Very high	59 Å²	59	67 Å²	67	27%	0.273	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	10.2	-179.2	-51.6	-81.2	0	0	0	114	V10 V11 V12 F38 L320	V10-H40 PolarHBondContact O-ND1 2.76Å; V11-H40 CarbonylContact C-O 3.59Å; V12-H40 PolarHBondContact N-O 3.5Å; F38-H40 PolarHBondContact O-N 2.95Å; H40-L320 HydrophobicContact CB-CD1 3.68Å
41	I	89.7	Confident	91.3	Very high	14 Å²	14	64.8 Å²	64.8	7%	0.072	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131	179.3	-65.7	-176.3	0	0	0	110.2	V12 I14 F38 I43	V12-I41 WeakPolarHBondContact O-CA 3.4Å; I14-I41 HydrophobicContact CD1-CD1 4.16Å; I14-I41 HydrophobicContact CD1-CG2 3.49Å; I14-I41 VanDerWaalsContact CD1-CG2 3.49Å; I14-I41 HydrophobicContact CG1-CG2 4.02Å; F38-I41 HydrophobicContact CB-CB 3.85Å; F38-I41 HydrophobicContact CB-CD1 3.58Å; F38-I41 HydrophobicContact CB-CG1 3.66Å; F38-I41 HydrophobicContact CD1-CD1 3.94Å; F38-I41 HydrophobicContact CD2-CD1 4.24Å; F38-I41 HydrophobicContact CG-CD1 3.69Å; F38-I41 HydrophobicContact CG-CG1 4.33Å; F38-I41 PolarHBondContact O-N 3.15Å; I41-I43 HydrophobicContact CG2-CG1 4.12Å
42	K	93.3	Very high	91.4	Very high	119 Å²	119	68.3 Å²	68.3	52%	0.517	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.2	171.8	179.7	-179.6	179.2	-178.1	0	110.1	V11 V12 T13 I14	V11-K42 HydrophobicContact CG1-CB 3.6Å; V12-K42 PolarHBondContact O-N 3.48Å; T13-K42 CarbonylContact C-O 3.51Å; T13-K42 WeakPolarHBondContact CA-O 3.24Å; I14-K42 PolarHBondContact N-O 3.06Å
43	I	95.1	Very high	91.5	Very high	32 Å²	32	72.8 Å²	72.8	16%	0.164	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	135	-179.6	-59.3	176.5	0	0	0	110.1	V16 L32 M35 D36 I41 I45	V16-I43 HydrophobicContact CG2-CG2 4.1Å; L32-I43 HydrophobicContact CB-CD1 3.93Å; L32-I43 HydrophobicContact CD1-CG2 4.26Å; L32-I43 HydrophobicContact CD2-CD1 3.92Å; L32-I43 HydrophobicContact CD2-CG2 4.09Å; L32-I43 HydrophobicContact CG-CD1 4.48Å; L32-I43 WeakPolarHBondContact O-CD1 3.29Å; M35-I43 HydrophobicContact CB-CD1 3.63Å; D36-I43 WeakPolarHBondContact OD1-CD1 3.43Å; I41-I43 HydrophobicContact CG2-CG1 4.12Å; I43-I45 HydrophobicContact CG2-CG1 4.45Å
44	I	95.7	Very high	91.7	Very high	44 Å²	44	67.6 Å²	67.6	23%	0.226	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	110.5	172.4	-56.6	-177.2	0	0	0	108.3	T13 I14 G15 V16 F46 P60	T13-I44 HydrophobicContact CG2-CD1 3.47Å; T13-I44 VanDerWaalsContact CG2-CD1 3.47Å; T13-I44 HydrophobicContact CG2-CG1 3.88Å; I14-I44 PolarHBondContact O-N 3.38Å; G15-I44 CarbonylContact C-O 3.55Å; G15-I44 WeakPolarHBondContact CA-O 3.34Å; V16-I44 PolarHBondContact N-O 3.05Å; I44-F46 HydrophobicContact CG2-CD1 4.2Å; I44-F46 HydrophobicContact CG2-CE1 4.32Å; I44-P60 HydrophobicContact CG2-CB 3.94Å; I44-P60 HydrophobicContact CG2-CG 4Å
45	I	96.7	Very high	92	Very high	71 Å²	71	70.6 Å²	70.6	36%	0.364	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.4	170.2	-54.7	177.8	0	0	0	107.9	V16 A23 M24 L32 I43	V16-I45 HydrophobicContact CB-CG1 4.32Å; A23-I45 HydrophobicContact CB-CG2 4.02Å; M24-I45 HydrophobicContact SD-CD1 4.45Å; L32-I45 HydrophobicContact CD1-CD1 3.79Å; L32-I45 HydrophobicContact CD1-CG1 4.06Å; I43-I45 HydrophobicContact CG2-CG1 4.45Å
46	F	97.4	Very high	92.5	Very high	5 Å²	5	71.6 Å²	71.6	2%	0.022	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-80	135.2	178.6	-70.4	22.9	0	0	0	108.6	V16 C17 I44 I51 W59 P60 L65 Y81	V16-F46 PolarHBondContact O-N 2.74Å; C17-F46 HydrophobicContact CB-CB 4.3Å; C17-F46 HydrophobicContact CB-CD2 3.68Å; C17-F46 HydrophobicContact CB-CE2 4.12Å; C17-F46 HydrophobicContact CB-CG 4.04Å; I44-F46 HydrophobicContact CG2-CD1 4.2Å; I44-F46 HydrophobicContact CG2-CE1 4.32Å; F46-I51 HydrophobicContact CB-CD1 3.89Å; F46-I51 HydrophobicContact CB-CG1 4Å; F46-W59 HydrophobicContact CD2-CB 4.41Å; F46-W59 HydrophobicContact CD2-CD2 4.42Å; F46-W59 HydrophobicContact CD2-CE3 4.03Å; F46-W59 HydrophobicContact CE2-CB 4.09Å; F46-W59 AromaticContact CE2-CE3 3.96Å; F46-W59 HydrophobicContact CE2-CE3 3.96Å; F46-P60 HydrophobicContact CD1-CB 4.29Å; F46-P60 HydrophobicContact CD1-CG 3.93Å; F46-P60 HydrophobicContact CE1-CB 3.76Å; F46-P60 HydrophobicContact CE1-CG 3.91Å; F46-P60 HydrophobicContact CG-CG 4.4Å; F46-P60 HydrophobicContact CZ-CB 4.09Å; F46-P60 HydrophobicContact CZ-CG 4.34Å; F46-P60 WeakPolarHBondContact CZ-O 3.37Å; F46-L65 HydrophobicContact CZ-CD1 4.44Å; F46-Y81 HydrophobicContact CE2-CE1 4.36Å; F46-Y81 HydrophobicContact CE2-CE2 4.09Å; F46-Y81 AromaticContact CE2-CZ 3.93Å; F46-Y81 HydrophobicContact CZ-CE1 4.48Å; F46-Y81 HydrophobicContact CZ-CE2 4.39Å; F46-Y81 AromaticContact CZ-CZ 3.92Å
47	D	95.7	Very high	93.1	Very high	98 Å²	98	72.2 Å²	72.2	52%	0.524	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-71	140.2	-178.9	-177.9	-94.5	0	0	0	111.7	K49 M50 I51	D47-K49 VanDerWaalsContact C-N 3.31Å; D47-K49 PolarHBondContact O-N 2.87Å; D47-K49 WeakPolarHBondContact OD1-CA 3.32Å; D47-K49 WeakPolarHBondContact OD1-CB 3.4Å; D47-K49 PolarHBondContact OD1-N 3.27Å; D47-M50 HydrophobicContact CB-CB 4.13Å; D47-M50 WeakPolarHBondContact O-CB 3.33Å; D47-M50 PolarHBondContact O-N 3.4Å; D47-M50 VanDerWaalsContact O-N 3.14Å; D47-M50 PolarHBondContact OD1-N 2.76Å; D47-I51 WeakPolarHBondContact O-CG1 3.28Å; D47-I51 PolarHBondContact O-N 2.73Å
48	E	96.1	Very high	93.8	Very high	63 Å²	63	68.2 Å²	68.2	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-37	-176.7	-177.2	170	85.9	0	0	112.3	M19 A20 M50 I51 L52	M19-E48 VanDerWaalsContact CA-OE2 3.28Å; M19-E48 WeakPolarHBondContact CA-OE2 3.37Å; M19-E48 WeakPolarHBondContact CB-OE2 3.22Å; M19-E48 HydrophobicContact CE-CG 3.99Å; M19-E48 WeakPolarHBondContact CE-OE2 3.16Å; M19-E48 HydrophobicContact SD-CG 4.41Å; A20-E48 HydrophobicContact CB-CB 4.04Å; A20-E48 WeakPolarHBondContact CB-OE2 3.17Å; A20-E48 PolarHBondContact N-OE2 3.27Å; E48-M50 VanDerWaalsContact C-N 3.34Å; E48-I51 PolarHBondContact O-N 3.39Å; E48-L52 HydrophobicContact CG-CD1 4.1Å; E48-L52 WeakPolarHBondContact O-CG 3.27Å; E48-L52 PolarHBondContact O-N 2.63Å
49	K	96	Very high	94.6	Very high	140 Å²	140	65.9 Å²	65.9	61%	0.609	34%	0.335	S	S	*	.	H	α-helix	trans	-67.9	-36.8	176.4	-167.2	-178.9	179.3	-179	0	111.2	D47 L52 D53	D47-K49 VanDerWaalsContact C-N 3.31Å; D47-K49 PolarHBondContact O-N 2.87Å; D47-K49 WeakPolarHBondContact OD1-CA 3.32Å; D47-K49 WeakPolarHBondContact OD1-CB 3.4Å; D47-K49 PolarHBondContact OD1-N 3.27Å; K49-L52 PolarHBondContact O-N 2.66Å; K49-D53 WeakPolarHBondContact CE-OD2 3.35Å; K49-D53 WeakPolarHBondContact CG-OD2 3.49Å; K49-D53 VanDerWaalsContact O-CB 3.29Å; K49-D53 WeakPolarHBondContact O-CB 3.47Å; K49-D53 PolarHBondContact O-N 2.72Å
50	M	96.9	Very high	95.5	Very high	55 Å²	55	58.8 Å²	58.8	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-41.9	173	-178.8	-174.5	-78.8	0	0	112.2	D47 E48 L52 S54 W59 P60	D47-M50 HydrophobicContact CB-CB 4.13Å; D47-M50 WeakPolarHBondContact O-CB 3.33Å; D47-M50 PolarHBondContact O-N 3.4Å; D47-M50 VanDerWaalsContact O-N 3.14Å; D47-M50 PolarHBondContact OD1-N 2.76Å; E48-M50 VanDerWaalsContact C-N 3.34Å; M50-L52 VanDerWaalsContact C-N 3.32Å; M50-L52 PolarHBondContact O-N 3.32Å; M50-S54 WeakPolarHBondContact O-CB 3.47Å; M50-S54 PolarHBondContact O-N 3.28Å; M50-S54 VanDerWaalsContact O-N 3.13Å; M50-W59 PolarHBondContact O-NE1 3.33Å; M50-P60 VanDerWaalsContact SD-CD 3.57Å; M50-P60 HydrophobicContact SD-CG 4.31Å
51	I	96.9	Very high	96.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-41.4	176.4	-69.1	166.9	0	0	0	110.9	F46 D47 E48 W59 F73 P74 K77	F46-I51 HydrophobicContact CB-CD1 3.89Å; F46-I51 HydrophobicContact CB-CG1 4Å; D47-I51 WeakPolarHBondContact O-CG1 3.28Å; D47-I51 PolarHBondContact O-N 2.73Å; E48-I51 PolarHBondContact O-N 3.39Å; I51-W59 HydrophobicContact CB-CZ2 4.45Å; I51-W59 HydrophobicContact CG2-CH2 4.35Å; I51-W59 HydrophobicContact CG2-CZ2 4.44Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å; I51-F73 HydrophobicContact CG2-CD2 4.21Å; I51-F73 HydrophobicContact CG2-CE2 3.84Å; I51-P74 HydrophobicContact CG2-CG 3.68Å; I51-K77 PolarHBondContact O-NZ 2.86Å
52	L	96.6	Very high	96.4	Very high	76 Å²	76	60.9 Å²	60.9	40%	0.398	32%	0.317	S	S	.	.	H	α-helix	trans	-77.6	-60.8	179.3	-65.6	172.9	0	0	0	112.1	M19 E48 K49 M50 P74 K77	M19-L52 HydrophobicContact CE-CD1 4.4Å; M19-L52 HydrophobicContact CE-CD2 4.34Å; E48-L52 HydrophobicContact CG-CD1 4.1Å; E48-L52 WeakPolarHBondContact O-CG 3.27Å; E48-L52 PolarHBondContact O-N 2.63Å; K49-L52 PolarHBondContact O-N 2.66Å; M50-L52 VanDerWaalsContact C-N 3.32Å; M50-L52 PolarHBondContact O-N 3.32Å; L52-P74 HydrophobicContact CD2-CG 4.37Å; L52-K77 PolarHBondContact O-NZ 2.96Å
53	D	96.4	Very high	96.5	Very high	108 Å²	108	58.5 Å²	58.5	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-87.3	-37.3	-164.2	-56.3	-9.1	0	0	0	113.1	K49	K49-D53 WeakPolarHBondContact CE-OD2 3.35Å; K49-D53 WeakPolarHBondContact CG-OD2 3.49Å; K49-D53 VanDerWaalsContact O-CB 3.29Å; K49-D53 WeakPolarHBondContact O-CB 3.47Å; K49-D53 PolarHBondContact O-N 2.72Å
54	S	96.6	Very high	96.6	Very high	37 Å²	37	57 Å²	57	26%	0.259	30%	0.302	S	S	.	.	S	Bend	trans	-87.5	146.8	-167.1	-51.3	0	0	0	0	113.3	M50 S58 W59 K77	M50-S54 WeakPolarHBondContact O-CB 3.47Å; M50-S54 PolarHBondContact O-N 3.28Å; M50-S54 VanDerWaalsContact O-N 3.13Å; S54-S58 WeakPolarHBondContact CB-OG 3.47Å; S54-W59 PolarHBondContact O-NE1 3.43Å; S54-W59 VanDerWaalsContact O-NE1 3.16Å; S54-K77 WeakPolarHBondContact O-CE 3.4Å; S54-K77 PolarHBondContact O-NZ 3.21Å
55	P	97.1	Very high	96.6	Very high	80 Å²	80	54.9 Å²	54.9	52%	0.519	29%	0.291	S	S	.	.			trans	-67.4	149.4	178.3	29.6	-36	0	0	0	111.5	E57 S58 W59	P55-E57 WeakPolarHBondContact CB-OE2 3.1Å; P55-E57 PolarHBondContact O-N 3.42Å; P55-E57 VanDerWaalsContact O-N 3.14Å; P55-S58 WeakPolarHBondContact O-CB 3.47Å; P55-S58 PolarHBondContact O-N 3.38Å; P55-S58 PolarHBondContact O-OG 2.96Å; P55-W59 VanDerWaalsContact O-CD1 3.32Å
56	I	97.4	Very high	96.6	Very high	23 Å²	23	51.8 Å²	51.8	12%	0.118	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-64.3	-22.9	-170.5	60.4	173.8	0	0	0	113.5	S58 W59 K77 A80 L84	I56-S58 PolarHBondContact O-N 2.94Å; I56-W59 HydrophobicContact CG2-CD2 4.43Å; I56-W59 HydrophobicContact CG2-CH2 4.36Å; I56-W59 HydrophobicContact CG2-CZ2 4.14Å; I56-W59 WeakPolarHBondContact O-CB 3.3Å; I56-W59 PolarHBondContact O-N 3.02Å; I56-K77 HydrophobicContact CG2-CB 3.99Å; I56-A80 HydrophobicContact CD1-CB 3.56Å; I56-L84 HydrophobicContact CD1-CB 4.47Å; I56-L84 HydrophobicContact CD1-CD2 4.08Å; I56-L84 HydrophobicContact CG1-CD2 3.97Å
57	E	96.8	Very high	96.6	Very high	109 Å²	109	51.6 Å²	51.6	51%	0.509	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-64.4	-32.2	175.4	-64.6	67	-149.9	0	0	111.1	P55 L84 R85	P55-E57 WeakPolarHBondContact CB-OE2 3.1Å; P55-E57 PolarHBondContact O-N 3.42Å; P55-E57 VanDerWaalsContact O-N 3.14Å; E57-L84 HydrophobicContact CG-CD2 4.05Å; E57-R85 PolarHBondContact O-NH2 2.81Å
58	S	96.2	Very high	96.7	Very high	63 Å²	63	47.1 Å²	47.1	44%	0.441	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-84.8	-9.4	-180	71.3	0	0	0	0	114.4	S54 P55 I56	S54-S58 WeakPolarHBondContact CB-OG 3.47Å; P55-S58 WeakPolarHBondContact O-CB 3.47Å; P55-S58 PolarHBondContact O-N 3.38Å; P55-S58 PolarHBondContact O-OG 2.96Å; I56-S58 PolarHBondContact O-N 2.94Å
59	W	97.7	Very high	96.6	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.015	25%	0.25	C	C	.	.	S	Bend	trans	-70.5	150.2	179.3	-66.3	9.4	0	0	0	111	F46 M50 I51 S54 P55 I56 K77 Y81	F46-W59 HydrophobicContact CD2-CB 4.41Å; F46-W59 HydrophobicContact CD2-CD2 4.42Å; F46-W59 HydrophobicContact CD2-CE3 4.03Å; F46-W59 HydrophobicContact CE2-CB 4.09Å; F46-W59 AromaticContact CE2-CE3 3.96Å; F46-W59 HydrophobicContact CE2-CE3 3.96Å; M50-W59 PolarHBondContact O-NE1 3.33Å; I51-W59 HydrophobicContact CB-CZ2 4.45Å; I51-W59 HydrophobicContact CG2-CH2 4.35Å; I51-W59 HydrophobicContact CG2-CZ2 4.44Å; I51-W59 WeakPolarHBondContact O-CZ2 3.4Å; S54-W59 PolarHBondContact O-NE1 3.43Å; S54-W59 VanDerWaalsContact O-NE1 3.16Å; P55-W59 VanDerWaalsContact O-CD1 3.32Å; I56-W59 HydrophobicContact CG2-CD2 4.43Å; I56-W59 HydrophobicContact CG2-CH2 4.36Å; I56-W59 HydrophobicContact CG2-CZ2 4.14Å; I56-W59 WeakPolarHBondContact O-CB 3.3Å; I56-W59 PolarHBondContact O-N 3.02Å; W59-K77 HydrophobicContact CH2-CB 3.69Å; W59-K77 HydrophobicContact CZ2-CB 3.95Å; W59-K77 HydrophobicContact CZ2-CD 4.34Å; W59-Y81 HydrophobicContact CB-CD2 3.81Å; W59-Y81 HydrophobicContact CB-CE2 3.69Å; W59-Y81 HydrophobicContact CD2-CD2 4.13Å; W59-Y81 HydrophobicContact CE3-CD1 4.46Å; W59-Y81 AromaticContact CE3-CD2 3.53Å; W59-Y81 HydrophobicContact CE3-CD2 3.53Å; W59-Y81 HydrophobicContact CE3-CE2 4.21Å; W59-Y81 AromaticContact CE3-CG 3.68Å; W59-Y81 HydrophobicContact CE3-CG 3.68Å; W59-Y81 HydrophobicContact CG-CD2 4.3Å; W59-Y81 HydrophobicContact CZ3-CD2 4.42Å; W59-Y81 HydrophobicContact CZ3-CG 4.14Å
60	P	96.9	Very high	96.4	Very high	34 Å²	34	41.1 Å²	41.1	22%	0.221	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-55.5	144.7	-179.2	-24.1	33	0	0	0	111.9	I44 F46 M50 Y81	I44-P60 HydrophobicContact CG2-CB 3.94Å; I44-P60 HydrophobicContact CG2-CG 4Å; F46-P60 HydrophobicContact CD1-CB 4.29Å; F46-P60 HydrophobicContact CD1-CG 3.93Å; F46-P60 HydrophobicContact CE1-CB 3.76Å; F46-P60 HydrophobicContact CE1-CG 3.91Å; F46-P60 HydrophobicContact CG-CG 4.4Å; F46-P60 HydrophobicContact CZ-CB 4.09Å; F46-P60 HydrophobicContact CZ-CG 4.34Å; F46-P60 WeakPolarHBondContact CZ-O 3.37Å; M50-P60 VanDerWaalsContact SD-CD 3.57Å; M50-P60 HydrophobicContact SD-CG 4.31Å; P60-Y81 WeakPolarHBondContact O-CE2 3.45Å; P60-Y81 PolarHBondContact O-OH 3.16Å
61	I	96.4	Very high	96.1	Very high	113 Å²	113	44.6 Å²	44.6	58%	0.579	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-79.2	137.5	171.2	-59.9	175.9	0	0	0	108.1
62	C	96.3	Very high	95.9	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.027	27%	0.265	C	S	.	.			trans	-145	152.5	174.2	62.5	0	0	0	0	110.1	T13 A64 Y81	T13-C62 HydrophobicContact CG2-CB 4.06Å; T13-C62 WeakPolarHBondContact O-CB 3.4Å; C62-A64 PolarHBondContact SG-O 2.95Å; C62-Y81 PolarHBondContact SG-OH 2.92Å
63	D	95.5	Very high	95.9	Very high	69 Å²	69	43.9 Å²	43.9	37%	0.369	25%	0.248	S	C	.	.	S	Bend	trans	-87.2	-30.6	178.9	-47.4	-76.2	0	0	0	110.9	V12 T13 P87 Y88 I316	V12-D63 HydrophobicContact CG1-CB 4.38Å; T13-D63 WeakPolarHBondContact CA-OD2 3.44Å; T13-D63 VanDerWaalsContact CB-OD2 3.28Å; T13-D63 WeakPolarHBondContact CB-OD2 3.45Å; T13-D63 PolarHBondContact N-OD2 2.82Å; T13-D63 PolarHBondContact O-N 3.35Å; D63-P87 CarbonylContact O-C 3.58Å; D63-P87 WeakPolarHBondContact O-CA 3.46Å; D63-Y88 PolarHBondContact O-N 3.38Å; D63-I316 HydrophobicContact CB-CD1 3.88Å; D63-I316 HydrophobicContact CB-CG2 3.97Å; D63-I316 WeakPolarHBondContact O-CD1 3.28Å
64	A	96.1	Very high	95.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.2	172.9	0	0	0	0	0	111	T13 I14 G15 C62 Y88 I312 I316	T13-A64 PolarHBondContact O-N 3.14Å; T13-A64 VanDerWaalsContact O-N 3.09Å; I14-A64 WeakPolarHBondContact CA-O 3.3Å; I14-A64 HydrophobicContact CB-CB 4.48Å; I14-A64 HydrophobicContact CG1-CB 4.09Å; I14-A64 HydrophobicContact CG2-CB 4.33Å; G15-A64 PolarHBondContact N-O 3.16Å; C62-A64 PolarHBondContact SG-O 2.95Å; A64-Y88 CarbonylContact C-O 3.56Å; A64-Y88 WeakPolarHBondContact CA-O 3.47Å; A64-I312 HydrophobicContact CB-CD1 4.3Å; A64-I312 HydrophobicContact CB-CG1 4.41Å; A64-I312 HydrophobicContact CB-CG2 3.51Å; A64-I316 HydrophobicContact CB-CD1 3.64Å
65	L	97.6	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.5	176.9	-172.7	68.3	0	0	0	111.5	C17 F46 Y81 P87 Y88 L89 V90 L93	C17-L65 HydrophobicContact CB-CD1 3.89Å; F46-L65 HydrophobicContact CZ-CD1 4.44Å; L65-Y81 HydrophobicContact CD1-CE1 4.11Å; L65-Y81 HydrophobicContact CD2-CD1 3.94Å; L65-Y81 HydrophobicContact CD2-CE1 4.02Å; L65-P87 HydrophobicContact CB-CB 3.99Å; L65-P87 HydrophobicContact CB-CG 3.73Å; L65-P87 HydrophobicContact CD2-CG 4.19Å; L65-Y88 PolarHBondContact N-O 3.37Å; L65-L89 HydrophobicContact CB-CD2 4.02Å; L65-L89 HydrophobicContact CD2-CD2 3.88Å; L65-L89 HydrophobicContact CG-CD2 4.45Å; L65-V90 PolarHBondContact O-N 3.4Å; L65-L93 HydrophobicContact CD2-CD1 4.23Å
66	V	96.7	Very high	95.8	Very high	7 Å²	7	43 Å²	43	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	97.6	164.9	-179.8	0	0	0	0	107.2	I14 G15 V16 C17 F68 V90 F291 L308	I14-V66 HydrophobicContact CG2-CG2 4.07Å; G15-V66 PolarHBondContact O-N 3.34Å; V16-V66 WeakPolarHBondContact CA-O 3.46Å; V16-V66 HydrophobicContact CG2-CB 4.46Å; C17-V66 PolarHBondContact N-O 3.21Å; V66-F68 HydrophobicContact CG1-CE1 4.46Å; V66-V90 HydrophobicContact CG2-CB 4.21Å; V66-V90 HydrophobicContact CG2-CG2 3.87Å; V66-F291 HydrophobicContact CG1-CE2 3.78Å; V66-F291 HydrophobicContact CG1-CZ 4.05Å; V66-L308 HydrophobicContact CG2-CD2 4.2Å
67	S	97.4	Very high	95.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.6	-178.3	-176.6	0	0	0	0	111.4	C17 F73 L93 Q96	C17-S67 VanDerWaalsContact O-CA 3.29Å; C17-S67 WeakPolarHBondContact O-CA 3.35Å; C17-S67 VanDerWaalsContact O-CB 3.22Å; C17-S67 WeakPolarHBondContact O-CB 3.48Å; C17-S67 PolarHBondContact O-OG 2.87Å; S67-F73 WeakPolarHBondContact OG-CZ 3.27Å; S67-L93 WeakPolarHBondContact O-CD2 3.14Å; S67-Q96 PolarHBondContact O-NE2 3.45Å
68	F	96.1	Very high	95.9	Very high	4 Å²	4	39 Å²	39	2%	0.018	21%	0.21	C	C	.	.			trans	-157.3	145.6	-171.2	56.2	-87.4	0	0	0	112.1	A18 K22 M28 V66 Q96 F291	A18-F68 HydrophobicContact CB-CD1 4.15Å; A18-F68 HydrophobicContact CB-CD2 4.3Å; A18-F68 HydrophobicContact CB-CE1 3.66Å; A18-F68 HydrophobicContact CB-CE2 3.85Å; A18-F68 HydrophobicContact CB-CG 4.45Å; A18-F68 HydrophobicContact CB-CZ 3.5Å; A18-F68 VanDerWaalsContact CB-CZ 3.5Å; K22-F68 HydrophobicContact CB-CE2 3.66Å; K22-F68 HydrophobicContact CB-CZ 3.83Å; K22-F68 HydrophobicContact CD-CE2 4.21Å; K22-F68 HydrophobicContact CG-CE2 3.85Å; M28-F68 HydrophobicContact CE-CE1 3.7Å; M28-F68 HydrophobicContact CE-CZ 3.84Å; V66-F68 HydrophobicContact CG1-CE1 4.46Å; F68-Q96 VanDerWaalsContact CA-OE1 3.28Å; F68-F291 HydrophobicContact CB-CB 3.42Å; F68-F291 VanDerWaalsContact CB-CB 3.42Å; F68-F291 HydrophobicContact CB-CD1 4.38Å; F68-F291 HydrophobicContact CB-CD2 3.99Å; F68-F291 HydrophobicContact CB-CG 3.68Å; F68-F291 HydrophobicContact CD1-CB 4.2Å; F68-F291 AromaticContact CD1-CD1 3.57Å; F68-F291 HydrophobicContact CD1-CD1 3.57Å; F68-F291 AromaticContact CD1-CD2 3.53Å; F68-F291 HydrophobicContact CD1-CD2 3.53Å; F68-F291 AromaticContact CD1-CE1 3.74Å; F68-F291 HydrophobicContact CD1-CE1 3.74Å; F68-F291 AromaticContact CD1-CE2 3.66Å; F68-F291 HydrophobicContact CD1-CE2 3.66Å; F68-F291 AromaticContact CD1-CG 3.47Å; F68-F291 HydrophobicContact CD1-CG 3.47Å; F68-F291 VanDerWaalsContact CD1-CG 3.47Å; F68-F291 AromaticContact CD1-CZ 3.77Å; F68-F291 HydrophobicContact CD1-CZ 3.77Å; F68-F291 HydrophobicContact CD2-CB 3.89Å; F68-F291 AromaticContact CD2-CD1 3.62Å; F68-F291 HydrophobicContact CD2-CD1 3.62Å; F68-F291 HydrophobicContact CD2-CE1 4.36Å; F68-F291 AromaticContact CD2-CG 3.8Å; F68-F291 HydrophobicContact CD2-CG 3.8Å; F68-F291 AromaticContact CE1-CD1 3.62Å; F68-F291 HydrophobicContact CE1-CD1 3.62Å; F68-F291 HydrophobicContact CE1-CD2 4.17Å; F68-F291 AromaticContact CE1-CE1 3.38Å; F68-F291 HydrophobicContact CE1-CE1 3.38Å; F68-F291 AromaticContact CE1-CE2 3.94Å; F68-F291 HydrophobicContact CE1-CE2 3.94Å; F68-F291 HydrophobicContact CE1-CG 4.03Å; F68-F291 AromaticContact CE1-CZ 3.54Å; F68-F291 HydrophobicContact CE1-CZ 3.54Å; F68-F291 AromaticContact CE2-CD1 3.65Å; F68-F291 HydrophobicContact CE2-CD1 3.65Å; F68-F291 HydrophobicContact CE2-CE1 4.03Å; F68-F291 HydrophobicContact CE2-CG 4.29Å; F68-F291 HydrophobicContact CG-CB 3.58Å; F68-F291 AromaticContact CG-CD1 3.58Å; F68-F291 HydrophobicContact CG-CD1 3.58Å; F68-F291 AromaticContact CG-CD2 3.81Å; F68-F291 HydrophobicContact CG-CD2 3.81Å; F68-F291 HydrophobicContact CG-CE1 4.22Å; F68-F291 HydrophobicContact CG-CE2 4.39Å; F68-F291 AromaticContact CG-CG 3.35Å; F68-F291 HydrophobicContact CG-CG 3.35Å; F68-F291 AromaticContact CZ-CD1 3.66Å; F68-F291 HydrophobicContact CZ-CD1 3.66Å; F68-F291 AromaticContact CZ-CE1 3.54Å; F68-F291 HydrophobicContact CZ-CE1 3.54Å; F68-F291 HydrophobicContact CZ-CG 4.4Å; F68-F291 HydrophobicContact CZ-CZ 4.17Å
69	Y	95.1	Very high	96	Very high	68 Å²	68	36.7 Å²	36.7	27%	0.267	19%	0.193	S	C	.	.			trans	-64.9	148.6	178.6	-179.6	-100.4	0	0	0	113.6	F73 L75 M100 E158	Y69-F73 HydrophobicContact CD2-CB 4.12Å; Y69-F73 HydrophobicContact CD2-CD1 4.47Å; Y69-L75 HydrophobicContact CD2-CB 4.33Å; Y69-M100 HydrophobicContact CD1-CE 3.7Å; Y69-M100 HydrophobicContact CD2-CE 3.6Å; Y69-M100 HydrophobicContact CE1-CE 3.93Å; Y69-M100 HydrophobicContact CE2-CE 3.85Å; Y69-M100 HydrophobicContact CG-CE 3.52Å; Y69-E158 HydrophobicContact CE1-CG 4.3Å
70	S	92.5	Very high	96	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.063	21%	0.208	C	C	.	.			trans	-152	168.7	151.8	62.4	0	0	0	0	108.3	M19 G72 F73	M19-S70 WeakPolarHBondContact CG-OG 3.48Å; S70-G72 PolarHBondContact O-N 3.48Å; S70-F73 WeakPolarHBondContact O-CB 3.29Å; S70-F73 PolarHBondContact O-N 3.24Å
71	E	89.7	Confident	96	Very high	128 Å²	128	36.9 Å²	36.9	60%	0.598	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-31.1	120.8	159.7	-174.2	179	-146.8	0	0	112.2
72	G	92.4	Very high	96.1	Very high	53 Å²	53	32.2 Å²	32.2	55%	0.546	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	-11.5	-176.9	0	0	0	0	0	117.2	S70	S70-G72 PolarHBondContact O-N 3.48Å
73	F	96	Very high	96.1	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.035	20%	0.199	C	C	.	.			trans	-80.1	126	-173.7	-173.2	-107.2	0	0	0	113.4	C17 M19 I51 S67 Y69 S70 L75 A78	C17-F73 WeakPolarHBondContact O-CE2 3.37Å; C17-F73 WeakPolarHBondContact O-CZ 3.46Å; M19-F73 HydrophobicContact CG-CB 3.92Å; M19-F73 HydrophobicContact CG-CD2 4.14Å; M19-F73 HydrophobicContact SD-CB 4.08Å; M19-F73 HydrophobicContact SD-CD2 3.92Å; I51-F73 HydrophobicContact CG2-CD2 4.21Å; I51-F73 HydrophobicContact CG2-CE2 3.84Å; S67-F73 WeakPolarHBondContact OG-CZ 3.27Å; Y69-F73 HydrophobicContact CD2-CB 4.12Å; Y69-F73 HydrophobicContact CD2-CD1 4.47Å; S70-F73 WeakPolarHBondContact O-CB 3.29Å; S70-F73 PolarHBondContact O-N 3.24Å; F73-L75 VanDerWaalsContact C-N 3.3Å; F73-L75 HydrophobicContact CD1-CB 4.24Å; F73-L75 HydrophobicContact CE1-CD1 4.28Å; F73-L75 PolarHBondContact O-N 2.98Å; F73-A78 HydrophobicContact CE1-CB 3.8Å; F73-A78 HydrophobicContact CZ-CB 3.82Å
74	P	96.4	Very high	96.2	Very high	31 Å²	31	38.1 Å²	38.1	20%	0.201	20%	0.2	C	C	.	.			trans	-79.9	71.6	-178.8	33.5	-36.3	0	0	0	112	I51 L52 K76 K77 A78	I51-P74 HydrophobicContact CG2-CG 3.68Å; L52-P74 HydrophobicContact CD2-CG 4.37Å; P74-K76 PolarHBondContact O-N 2.68Å; P74-K76 VanDerWaalsContact O-N 3.08Å; P74-K77 HydrophobicContact CB-CB 4.25Å; P74-K77 HydrophobicContact CB-CD 3.9Å; P74-K77 HydrophobicContact CB-CG 4.07Å; P74-K77 HydrophobicContact CG-CB 4.44Å; P74-K77 HydrophobicContact CG-CD 4.09Å; P74-K77 WeakPolarHBondContact O-CA 3.35Å; P74-K77 WeakPolarHBondContact O-CB 3.41Å; P74-K77 PolarHBondContact O-N 3.45Å; P74-A78 PolarHBondContact O-N 3.14Å
75	L	96.4	Very high	96.2	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-52.7	-34.3	-177.2	-177.1	60	0	0	0	113.4	Y69 F73 K77 A78 I79 L93 Q96 Y97 M100	Y69-L75 HydrophobicContact CD2-CB 4.33Å; F73-L75 VanDerWaalsContact C-N 3.3Å; F73-L75 HydrophobicContact CD1-CB 4.24Å; F73-L75 HydrophobicContact CE1-CD1 4.28Å; F73-L75 PolarHBondContact O-N 2.98Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-K77 PolarHBondContact O-N 3.31Å; L75-A78 PolarHBondContact O-N 3.47Å; L75-I79 HydrophobicContact CD1-CD1 4.29Å; L75-I79 HydrophobicContact CD1-CG1 4.41Å; L75-I79 HydrophobicContact CG-CD1 3.91Å; L75-I79 HydrophobicContact CG-CG1 4.49Å; L75-I79 WeakPolarHBondContact O-CG1 3.02Å; L75-I79 PolarHBondContact O-N 2.79Å; L75-L93 HydrophobicContact CD1-CB 4.28Å; L75-L93 HydrophobicContact CD1-CD2 4.39Å; L75-Q96 HydrophobicContact CD2-CB 3.86Å; L75-Y97 HydrophobicContact CD2-CD1 4.25Å; L75-Y97 HydrophobicContact CD2-CD2 4.07Å; L75-Y97 HydrophobicContact CD2-CE1 3.96Å; L75-Y97 HydrophobicContact CD2-CE2 3.79Å; L75-Y97 HydrophobicContact CD2-CG 4.3Å; L75-Y97 HydrophobicContact CG-CE2 4.15Å; L75-M100 HydrophobicContact CD2-CE 3.73Å
76	K	97	Very high	96.2	Very high	169 Å²	169	50.9 Å²	50.9	74%	0.735	25%	0.253	S	S	*	.	H	α-helix	trans	-58.7	-40.2	173.3	-65.4	-170.8	177.8	-179.5	0	112.9	P74 A80 Y97	P74-K76 PolarHBondContact O-N 2.68Å; P74-K76 VanDerWaalsContact O-N 3.08Å; K76-A80 WeakPolarHBondContact O-CB 3.39Å; K76-A80 PolarHBondContact O-N 3.25Å; K76-Y97 VanDerWaalsContact CG-OH 3.26Å; K76-Y97 WeakPolarHBondContact CG-OH 3.48Å
77	K	97.6	Very high	96.2	Very high	47 Å²	47	51.2 Å²	51.2	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-39.8	175.7	-65.2	-178.8	76.1	-171.6	0	111	I51 L52 S54 I56 W59 P74 L75 A80 Y81	I51-K77 PolarHBondContact O-NZ 2.86Å; L52-K77 PolarHBondContact O-NZ 2.96Å; S54-K77 WeakPolarHBondContact O-CE 3.4Å; S54-K77 PolarHBondContact O-NZ 3.21Å; I56-K77 HydrophobicContact CG2-CB 3.99Å; W59-K77 HydrophobicContact CH2-CB 3.69Å; W59-K77 HydrophobicContact CZ2-CB 3.95Å; W59-K77 HydrophobicContact CZ2-CD 4.34Å; P74-K77 HydrophobicContact CB-CB 4.25Å; P74-K77 HydrophobicContact CB-CD 3.9Å; P74-K77 HydrophobicContact CB-CG 4.07Å; P74-K77 HydrophobicContact CG-CB 4.44Å; P74-K77 HydrophobicContact CG-CD 4.09Å; P74-K77 WeakPolarHBondContact O-CA 3.35Å; P74-K77 WeakPolarHBondContact O-CB 3.41Å; P74-K77 PolarHBondContact O-N 3.45Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-K77 PolarHBondContact O-N 3.31Å; K77-A80 PolarHBondContact O-N 2.98Å; K77-Y81 WeakPolarHBondContact O-CB 3.36Å; K77-Y81 PolarHBondContact O-N 2.96Å
78	A	97.6	Very high	96.1	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-40.2	176.6	0	0	0	0	0	112.7	F73 P74 L75 Y81 S82 L93	F73-A78 HydrophobicContact CE1-CB 3.8Å; F73-A78 HydrophobicContact CZ-CB 3.82Å; P74-A78 PolarHBondContact O-N 3.14Å; L75-A78 PolarHBondContact O-N 3.47Å; A78-Y81 PolarHBondContact O-N 3.5Å; A78-S82 PolarHBondContact O-N 3.2Å; A78-L93 HydrophobicContact CB-CD1 3.97Å; A78-L93 WeakPolarHBondContact O-CD1 3.31Å
79	I	97.9	Very high	96.1	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.082	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-38.5	174.3	-66.9	162.1	0	0	0	111.4	L75 S82 K83 L93 E94 Y97	L75-I79 HydrophobicContact CD1-CD1 4.29Å; L75-I79 HydrophobicContact CD1-CG1 4.41Å; L75-I79 HydrophobicContact CG-CD1 3.91Å; L75-I79 HydrophobicContact CG-CG1 4.49Å; L75-I79 WeakPolarHBondContact O-CG1 3.02Å; L75-I79 PolarHBondContact O-N 2.79Å; I79-S82 PolarHBondContact O-N 3.43Å; I79-S82 PolarHBondContact O-OG 3.2Å; I79-K83 HydrophobicContact CG2-CD 4.18Å; I79-K83 WeakPolarHBondContact O-CG 3.46Å; I79-K83 PolarHBondContact O-N 3.1Å; I79-K83 VanDerWaalsContact O-N 3.09Å; I79-L93 HydrophobicContact CD1-CB 4.45Å; I79-L93 HydrophobicContact CG1-CB 3.61Å; I79-L93 HydrophobicContact CG1-CD1 4.34Å; I79-E94 HydrophobicContact CD1-CG 4.06Å; I79-E94 HydrophobicContact CG1-CG 4.09Å; I79-E94 HydrophobicContact CG2-CG 3.98Å; I79-Y97 HydrophobicContact CD1-CD2 4.25Å; I79-Y97 HydrophobicContact CD1-CE2 3.63Å
80	A	97.7	Very high	96.1	Very high	41 Å²	41	52.6 Å²	52.6	34%	0.339	26%	0.263	S	S	.	.	H	α-helix	trans	-66.9	-42.1	174.8	0	0	0	0	0	111.5	I56 K76 K77 K83 L84	I56-A80 HydrophobicContact CD1-CB 3.56Å; K76-A80 WeakPolarHBondContact O-CB 3.39Å; K76-A80 PolarHBondContact O-N 3.25Å; K77-A80 PolarHBondContact O-N 2.98Å; A80-K83 PolarHBondContact O-N 3.21Å; A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 3.3Å
81	Y	98.3	Very high	96.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-44.4	172.8	172.1	-86.8	0	0	0	112	F46 W59 P60 C62 L65 K77 A78 K83 L84 R85 P87	F46-Y81 HydrophobicContact CE2-CE1 4.36Å; F46-Y81 HydrophobicContact CE2-CE2 4.09Å; F46-Y81 AromaticContact CE2-CZ 3.93Å; F46-Y81 HydrophobicContact CZ-CE1 4.48Å; F46-Y81 HydrophobicContact CZ-CE2 4.39Å; F46-Y81 AromaticContact CZ-CZ 3.92Å; W59-Y81 HydrophobicContact CB-CD2 3.81Å; W59-Y81 HydrophobicContact CB-CE2 3.69Å; W59-Y81 HydrophobicContact CD2-CD2 4.13Å; W59-Y81 HydrophobicContact CE3-CD1 4.46Å; W59-Y81 AromaticContact CE3-CD2 3.53Å; W59-Y81 HydrophobicContact CE3-CD2 3.53Å; W59-Y81 HydrophobicContact CE3-CE2 4.21Å; W59-Y81 AromaticContact CE3-CG 3.68Å; W59-Y81 HydrophobicContact CE3-CG 3.68Å; W59-Y81 HydrophobicContact CG-CD2 4.3Å; W59-Y81 HydrophobicContact CZ3-CD2 4.42Å; W59-Y81 HydrophobicContact CZ3-CG 4.14Å; P60-Y81 WeakPolarHBondContact O-CE2 3.45Å; P60-Y81 PolarHBondContact O-OH 3.16Å; C62-Y81 PolarHBondContact SG-OH 2.92Å; L65-Y81 HydrophobicContact CD1-CE1 4.11Å; L65-Y81 HydrophobicContact CD2-CD1 3.94Å; L65-Y81 HydrophobicContact CD2-CE1 4.02Å; K77-Y81 WeakPolarHBondContact O-CB 3.36Å; K77-Y81 PolarHBondContact O-N 2.96Å; A78-Y81 PolarHBondContact O-N 3.5Å; Y81-K83 VanDerWaalsContact C-N 3.32Å; Y81-K83 PolarHBondContact O-N 3.34Å; Y81-L84 PolarHBondContact O-N 2.71Å; Y81-R85 HydrophobicContact CD2-CG 3.97Å; Y81-R85 HydrophobicContact CE1-CB 4.29Å; Y81-R85 HydrophobicContact CE1-CG 4.37Å; Y81-R85 HydrophobicContact CE2-CB 4.38Å; Y81-R85 HydrophobicContact CE2-CG 3.6Å; Y81-R85 PolarHBondContact O-N 3Å; Y81-P87 HydrophobicContact CE1-CG 4.23Å
82	S	96.9	Very high	96.6	Very high	15 Å²	15	47.8 Å²	47.8	11%	0.105	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-34	178.9	69.7	0	0	0	0	112.4	A78 I79 K86	A78-S82 PolarHBondContact O-N 3.2Å; I79-S82 PolarHBondContact O-N 3.43Å; I79-S82 PolarHBondContact O-OG 3.2Å; S82-K86 WeakPolarHBondContact O-CA 3.35Å; S82-K86 PolarHBondContact O-N 2.81Å
83	K	97.4	Very high	96.8	Very high	122 Å²	122	45.3 Å²	45.3	53%	0.53	22%	0.216	S	C	.	.	H	α-helix	trans	-70.2	-35.8	173.1	-71	173.6	-176.8	-179.4	0	112.7	I79 A80 Y81 E94	I79-K83 HydrophobicContact CG2-CD 4.18Å; I79-K83 WeakPolarHBondContact O-CG 3.46Å; I79-K83 PolarHBondContact O-N 3.1Å; I79-K83 VanDerWaalsContact O-N 3.09Å; A80-K83 PolarHBondContact O-N 3.21Å; Y81-K83 VanDerWaalsContact C-N 3.32Å; Y81-K83 PolarHBondContact O-N 3.34Å; K83-E94 WeakPolarHBondContact CE-OE1 3.22Å; K83-E94 IonicContact NZ-OE1 2.76Å; K83-E94 PolarHBondContact NZ-OE1 3.07Å
84	L	97.5	Very high	96.8	Very high	76 Å²	76	49.5 Å²	49.5	40%	0.398	24%	0.235	S	C	.	.	H	α-helix	trans	-71	-47.4	176.6	176.8	63.8	0	0	0	112.9	I56 E57 A80 Y81	I56-L84 HydrophobicContact CD1-CB 4.47Å; I56-L84 HydrophobicContact CD1-CD2 4.08Å; I56-L84 HydrophobicContact CG1-CD2 3.97Å; E57-L84 HydrophobicContact CG-CD2 4.05Å; A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 3.3Å; Y81-L84 PolarHBondContact O-N 2.71Å
85	R	97	Very high	96.6	Very high	92 Å²	92	48.3 Å²	48.3	35%	0.347	23%	0.228	S	C	.	.	H	α-helix	trans	-100	-17.7	-171.3	-60.3	-57.4	-171.9	-175	2.6	114.5	E57 Y81	E57-R85 PolarHBondContact O-NH2 2.81Å; Y81-R85 HydrophobicContact CD2-CG 3.97Å; Y81-R85 HydrophobicContact CE1-CB 4.29Å; Y81-R85 HydrophobicContact CE1-CG 4.37Å; Y81-R85 HydrophobicContact CE2-CB 4.38Å; Y81-R85 HydrophobicContact CE2-CG 3.6Å; Y81-R85 PolarHBondContact O-N 3Å
86	K	96.6	Very high	96.6	Very high	176 Å²	176	48.3 Å²	48.3	77%	0.765	23%	0.227	S	C	*	.			trans	51.3	42.3	-179.7	-56.5	179.6	-178.1	175.2	0	115.9	S82	S82-K86 WeakPolarHBondContact O-CA 3.35Å; S82-K86 PolarHBondContact O-N 2.81Å
87	P	96.7	Very high	96.5	Very high	13 Å²	13	44 Å²	44	8%	0.084	21%	0.207	C	C	.	.			trans	-68.1	158	174.8	33.5	-37.1	0	0	0	111.4	D63 L65 Y81 L89	D63-P87 CarbonylContact O-C 3.58Å; D63-P87 WeakPolarHBondContact O-CA 3.46Å; L65-P87 HydrophobicContact CB-CB 3.99Å; L65-P87 HydrophobicContact CB-CG 3.73Å; L65-P87 HydrophobicContact CD2-CG 4.19Å; Y81-P87 HydrophobicContact CE1-CG 4.23Å; P87-L89 HydrophobicContact CG-CD2 4.27Å; P87-L89 PolarHBondContact O-N 3.01Å; P87-L89 VanDerWaalsContact O-N 3.17Å
88	Y	95.9	Very high	96.3	Very high	56 Å²	56	43.8 Å²	43.8	22%	0.22	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	113.8	166.8	173.8	-120	0	0	0	110.3	D63 A64 L65 V90 I312 K315 I316	D63-Y88 PolarHBondContact O-N 3.38Å; A64-Y88 CarbonylContact C-O 3.56Å; A64-Y88 WeakPolarHBondContact CA-O 3.47Å; L65-Y88 PolarHBondContact N-O 3.37Å; Y88-V90 HydrophobicContact CE1-CG2 4.34Å; Y88-I312 HydrophobicContact CD1-CG1 4.23Å; Y88-I312 HydrophobicContact CE1-CG1 4.05Å; Y88-K315 HydrophobicContact CD2-CG 4.06Å; Y88-K315 HydrophobicContact CE1-CB 4.33Å; Y88-K315 HydrophobicContact CE2-CG 3.9Å; Y88-I316 HydrophobicContact CD1-CD1 4.43Å
89	L	96.5	Very high	96.2	Very high	44 Å²	44	44.6 Å²	44.6	23%	0.23	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.9	177.3	-60.6	-174.9	0	0	0	110.4	L65 P87 L93	L65-L89 HydrophobicContact CB-CD2 4.02Å; L65-L89 HydrophobicContact CD2-CD2 3.88Å; L65-L89 HydrophobicContact CG-CD2 4.45Å; P87-L89 HydrophobicContact CG-CD2 4.27Å; P87-L89 PolarHBondContact O-N 3.01Å; P87-L89 VanDerWaalsContact O-N 3.17Å; L89-L93 HydrophobicContact CD1-CG 4.23Å; L89-L93 HydrophobicContact CD2-CD1 4.26Å; L89-L93 HydrophobicContact CD2-CG 4.34Å
90	V	94.2	Very high	96	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	22%	0.215	C	C	.	.	S	Bend	trans	-72.5	-44.3	174	172.7	0	0	0	0	110.8	L65 V66 Y88 Q270 I271 L308 I312	L65-V90 PolarHBondContact O-N 3.4Å; V66-V90 HydrophobicContact CG2-CB 4.21Å; V66-V90 HydrophobicContact CG2-CG2 3.87Å; Y88-V90 HydrophobicContact CE1-CG2 4.34Å; V90-Q270 HydrophobicContact CG1-CB 4.49Å; V90-Q270 WeakPolarHBondContact O-CB 3.36Å; V90-Q270 WeakPolarHBondContact O-CG 3.37Å; V90-I271 HydrophobicContact CG1-CD1 4.16Å; V90-L308 HydrophobicContact CG1-CD1 3.81Å; V90-L308 HydrophobicContact CG1-CD2 4.41Å; V90-L308 HydrophobicContact CG1-CG 4.39Å; V90-I312 HydrophobicContact CG2-CD1 3.73Å; V90-I312 HydrophobicContact CG2-CG1 3.95Å
91	N	95.1	Very high	95.8	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.011	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-116.6	134.8	168.1	-83.8	34.6	0	0	0	108	L93 Q269 Q270 I271	N91-L93 PolarHBondContact O-N 2.88Å; N91-Q269 PolarHBondContact ND2-OE1 3.5Å; N91-Q270 PolarHBondContact OD1-N 2.57Å; N91-I271 PolarHBondContact ND2-O 3.23Å; N91-I271 PolarHBondContact OD1-N 3.1Å
92	D	96.6	Very high	95.7	Very high	35 Å²	35	44.8 Å²	44.8	19%	0.187	21%	0.206	C	C	.	.			trans	-63.4	133.9	175	-173.9	-95.5	0	0	0	110.2	E94 S95 Q96 R268 Q269	D92-E94 PolarHBondContact OD1-N 3.32Å; D92-S95 WeakPolarHBondContact OD1-CB 3.47Å; D92-S95 PolarHBondContact OD1-N 3.3Å; D92-S95 PolarHBondContact OD1-OG 2.9Å; D92-Q96 WeakPolarHBondContact O-CG 3.42Å; D92-Q96 PolarHBondContact O-NE2 3.16Å; D92-Q96 VanDerWaalsContact O-NE2 3.09Å; D92-R268 HydrophobicContact CB-CB 3.6Å; D92-R268 WeakPolarHBondContact CB-O 3.49Å; D92-R268 PolarHBondContact N-O 3.28Å; D92-Q269 PolarHBondContact O-NE2 3.31Å
93	L	97	Very high	95.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	21%	0.213	C	C	.	.	S	Bend	trans	-85.7	-34.2	-174.8	-63.6	-176	0	0	0	112.8	L65 S67 L75 A78 I79 L89 N91 Q96	L65-L93 HydrophobicContact CD2-CD1 4.23Å; S67-L93 WeakPolarHBondContact O-CD2 3.14Å; L75-L93 HydrophobicContact CD1-CB 4.28Å; L75-L93 HydrophobicContact CD1-CD2 4.39Å; A78-L93 HydrophobicContact CB-CD1 3.97Å; A78-L93 WeakPolarHBondContact O-CD1 3.31Å; I79-L93 HydrophobicContact CD1-CB 4.45Å; I79-L93 HydrophobicContact CG1-CB 3.61Å; I79-L93 HydrophobicContact CG1-CD1 4.34Å; L89-L93 HydrophobicContact CD1-CG 4.23Å; L89-L93 HydrophobicContact CD2-CD1 4.26Å; L89-L93 HydrophobicContact CD2-CG 4.34Å; N91-L93 PolarHBondContact O-N 2.88Å; L93-Q96 WeakPolarHBondContact O-CB 3.21Å; L93-Q96 PolarHBondContact O-N 3.14Å
94	E	95.6	Very high	95.4	Very high	96 Å²	96	47.4 Å²	47.4	45%	0.449	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-35	-175.4	-58.3	-172	122.4	0	0	110.3	I79 K83 D92 Q96 Y97	I79-E94 HydrophobicContact CD1-CG 4.06Å; I79-E94 HydrophobicContact CG1-CG 4.09Å; I79-E94 HydrophobicContact CG2-CG 3.98Å; K83-E94 WeakPolarHBondContact CE-OE1 3.22Å; K83-E94 IonicContact NZ-OE1 2.76Å; K83-E94 PolarHBondContact NZ-OE1 3.07Å; D92-E94 PolarHBondContact OD1-N 3.32Å; E94-Q96 PolarHBondContact O-N 3.11Å; E94-Y97 WeakPolarHBondContact O-CB 3.45Å; E94-Y97 PolarHBondContact O-N 2.83Å; E94-Y97 VanDerWaalsContact O-N 3.11Å
95	S	94.1	Very high	95.4	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.042	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.7	171.2	-51.7	0	0	0	0	113.4	D92 Y97 I98 L99 V267	D92-S95 WeakPolarHBondContact OD1-CB 3.47Å; D92-S95 PolarHBondContact OD1-N 3.3Å; D92-S95 PolarHBondContact OD1-OG 2.9Å; S95-Y97 PolarHBondContact O-N 3.07Å; S95-I98 VanDerWaalsContact O-CB 3.26Å; S95-I98 WeakPolarHBondContact O-CB 3.28Å; S95-I98 PolarHBondContact O-N 2.89Å; S95-L99 PolarHBondContact O-N 3.19Å; S95-V267 VanDerWaalsContact CB-O 3.29Å; S95-V267 WeakPolarHBondContact CB-O 3.29Å
96	Q	95.8	Very high	95.3	Very high	5 Å²	5	40 Å²	40	2%	0.023	18%	0.177	C	C	.	.	H	α-helix	trans	-71	-18.1	172.6	-65.2	170.5	31.9	0	0	112.2	S67 F68 L75 D92 L93 E94 I98 L99 M100	S67-Q96 PolarHBondContact O-NE2 3.45Å; F68-Q96 VanDerWaalsContact CA-OE1 3.28Å; L75-Q96 HydrophobicContact CD2-CB 3.86Å; D92-Q96 WeakPolarHBondContact O-CG 3.42Å; D92-Q96 PolarHBondContact O-NE2 3.16Å; D92-Q96 VanDerWaalsContact O-NE2 3.09Å; L93-Q96 WeakPolarHBondContact O-CB 3.21Å; L93-Q96 PolarHBondContact O-N 3.14Å; E94-Q96 PolarHBondContact O-N 3.11Å; Q96-I98 VanDerWaalsContact C-N 3.33Å; Q96-L99 HydrophobicContact CG-CD1 4.27Å; Q96-L99 PolarHBondContact O-N 3.14Å; Q96-M100 WeakPolarHBondContact O-CG 3.26Å
97	Y	95	Very high	95.2	Very high	79 Å²	79	35.9 Å²	35.9	31%	0.31	16%	0.161	S	C	.	.	H	α-helix	trans	-75.5	-17.2	165.9	-71.3	-62.8	0	0	0	113.9	L75 K76 I79 E94 S95 M100	L75-Y97 HydrophobicContact CD2-CD1 4.25Å; L75-Y97 HydrophobicContact CD2-CD2 4.07Å; L75-Y97 HydrophobicContact CD2-CE1 3.96Å; L75-Y97 HydrophobicContact CD2-CE2 3.79Å; L75-Y97 HydrophobicContact CD2-CG 4.3Å; L75-Y97 HydrophobicContact CG-CE2 4.15Å; K76-Y97 VanDerWaalsContact CG-OH 3.26Å; K76-Y97 WeakPolarHBondContact CG-OH 3.48Å; I79-Y97 HydrophobicContact CD1-CD2 4.25Å; I79-Y97 HydrophobicContact CD1-CE2 3.63Å; E94-Y97 WeakPolarHBondContact O-CB 3.45Å; E94-Y97 PolarHBondContact O-N 2.83Å; E94-Y97 VanDerWaalsContact O-N 3.11Å; S95-Y97 PolarHBondContact O-N 3.07Å; Y97-M100 HydrophobicContact CD1-CE 4.05Å; Y97-M100 HydrophobicContact CD1-SD 3.62Å; Y97-M100 HydrophobicContact CE1-CE 4.15Å; Y97-M100 HydrophobicContact CE1-SD 4Å
98	I	93.6	Very high	95.1	Very high	41 Å²	41	36 Å²	36	21%	0.21	16%	0.162	C	C	.	.	H	α-helix	trans	-71.7	-44.5	169.1	-65.4	171.3	0	0	0	108.7	S95 Q96 M100 D101 R104 V105	S95-I98 VanDerWaalsContact O-CB 3.26Å; S95-I98 WeakPolarHBondContact O-CB 3.28Å; S95-I98 PolarHBondContact O-N 2.89Å; Q96-I98 VanDerWaalsContact C-N 3.33Å; I98-M100 PolarHBondContact O-N 3.42Å; I98-D101 PolarHBondContact O-N 3.03Å; I98-D101 VanDerWaalsContact O-N 3.13Å; I98-D101 VanDerWaalsContact O-O 3.08Å; I98-R104 HydrophobicContact CB-CB 4.38Å; I98-R104 HydrophobicContact CG2-CB 3.82Å; I98-V105 HydrophobicContact CG2-CG2 4.46Å; I98-V105 WeakPolarHBondContact O-CG2 3.27Å
99	L	94.3	Very high	95.1	Very high	19 Å²	19	33.3 Å²	33.3	10%	0.099	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-23.4	-179.7	-62.6	174.9	0	0	0	114.5	S95 Q96 D101 A157 V267 Q269 V288	S95-L99 PolarHBondContact O-N 3.19Å; Q96-L99 HydrophobicContact CG-CD1 4.27Å; Q96-L99 PolarHBondContact O-N 3.14Å; L99-D101 VanDerWaalsContact C-N 3.32Å; L99-A157 WeakPolarHBondContact O-CB 3.42Å; L99-V267 HydrophobicContact CD2-CB 3.92Å; L99-V267 HydrophobicContact CD2-CG1 3.85Å; L99-V267 HydrophobicContact CD2-CG2 4.18Å; L99-Q269 HydrophobicContact CD1-CG 4.04Å; L99-V288 HydrophobicContact CD2-CB 4.44Å; L99-V288 HydrophobicContact CD2-CG1 3.84Å
100	M	93.9	Very high	95	Very high	28 Å²	28	34.6 Å²	34.6	14%	0.138	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.7	178.2	-65.6	174.2	-166.6	0	0	113.4	Y69 L75 Q96 Y97 I98 H156 A157	Y69-M100 HydrophobicContact CD1-CE 3.7Å; Y69-M100 HydrophobicContact CD2-CE 3.6Å; Y69-M100 HydrophobicContact CE1-CE 3.93Å; Y69-M100 HydrophobicContact CE2-CE 3.85Å; Y69-M100 HydrophobicContact CG-CE 3.52Å; L75-M100 HydrophobicContact CD2-CE 3.73Å; Q96-M100 WeakPolarHBondContact O-CG 3.26Å; Y97-M100 HydrophobicContact CD1-CE 4.05Å; Y97-M100 HydrophobicContact CD1-SD 3.62Å; Y97-M100 HydrophobicContact CE1-CE 4.15Å; Y97-M100 HydrophobicContact CE1-SD 4Å; I98-M100 PolarHBondContact O-N 3.42Å; M100-H156 WeakPolarHBondContact O-CA 3.04Å; M100-A157 PolarHBondContact O-N 3.19Å
101	D	94.4	Very high	94.9	Very high	22 Å²	22	42 Å²	42	12%	0.118	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-123.1	111.6	-175.3	-172.3	-24.7	0	0	0	110.3	I98 L99 R103 R104 V105	I98-D101 PolarHBondContact O-N 3.03Å; I98-D101 VanDerWaalsContact O-N 3.13Å; I98-D101 VanDerWaalsContact O-O 3.08Å; L99-D101 VanDerWaalsContact C-N 3.32Å; D101-R103 PolarHBondContact O-N 3.33Å; D101-R103 VanDerWaalsContact O-N 3.07Å; D101-R103 WeakPolarHBondContact OD1-CB 3.4Å; D101-R103 WeakPolarHBondContact OD1-CG 3.2Å; D101-R103 IonicContact OD1-CZ 2.94Å; D101-R103 PolarHBondContact OD1-N 3.43Å; D101-R103 IonicContact OD1-NE 3.82Å; D101-R103 PolarHBondContact OD1-NE 3.38Å; D101-R103 IonicContact OD1-NH2 3.82Å; D101-R103 IonicContact OD2-CZ 3.09Å; D101-R103 IonicContact OD2-NE 3.83Å; D101-R103 PolarHBondContact OD2-NE 3.32Å; D101-R103 VanDerWaalsContact OD2-NE 3.09Å; D101-R103 IonicContact OD2-NH2 3.33Å; D101-R103 PolarHBondContact OD2-NH2 3.06Å; D101-R104 HydrophobicContact CB-CB 4.42Å; D101-R104 HydrophobicContact CB-CG 4.09Å; D101-R104 PolarHBondContact O-N 3.06Å; D101-V105 PolarHBondContact O-N 3.4Å; D101-V105 VanDerWaalsContact O-N 3.16Å
102	R	94.8	Very high	94.7	Very high	10 Å²	10	46.4 Å²	46.4	4%	0.038	21%	0.21	C	C	.	.	H	α-helix	trans	-57.4	-27.4	-177.3	-63.6	-172.5	-169.8	-75.9	-4.6	112.6	Y106 P154 L155 A157 D159 D287	R102-Y106 PolarHBondContact O-N 3.25Å; R102-P154 WeakPolarHBondContact CD-O 3.42Å; R102-P154 PolarHBondContact NE-O 3.08Å; R102-L155 WeakPolarHBondContact CG-O 3.4Å; R102-L155 PolarHBondContact N-O 3.46Å; R102-A157 HydrophobicContact CG-CB 4.2Å; R102-A157 PolarHBondContact NH2-O 3.44Å; R102-D159 PolarHBondContact NH2-O 2.96Å; R102-D159 VanDerWaalsContact NH2-O 3.12Å; R102-D287 IonicContact CZ-OD1 3.06Å; R102-D287 IonicContact NH1-OD1 2.7Å; R102-D287 PolarHBondContact NH1-OD1 2.93Å
103	R	94.4	Very high	94.4	Very high	70 Å²	70	47.2 Å²	47.2	26%	0.264	23%	0.226	S	C	.	.	H	α-helix	trans	-60.5	-54.8	175.1	-59.2	173.9	-73.6	-162.2	-1.1	111	D101 V105 Y106 E107 F121 D123 L155	D101-R103 PolarHBondContact O-N 3.33Å; D101-R103 VanDerWaalsContact O-N 3.07Å; D101-R103 WeakPolarHBondContact OD1-CB 3.4Å; D101-R103 WeakPolarHBondContact OD1-CG 3.2Å; D101-R103 IonicContact OD1-CZ 2.94Å; D101-R103 PolarHBondContact OD1-N 3.43Å; D101-R103 IonicContact OD1-NE 3.82Å; D101-R103 PolarHBondContact OD1-NE 3.38Å; D101-R103 IonicContact OD1-NH2 3.82Å; D101-R103 IonicContact OD2-CZ 3.09Å; D101-R103 IonicContact OD2-NE 3.83Å; D101-R103 PolarHBondContact OD2-NE 3.32Å; D101-R103 VanDerWaalsContact OD2-NE 3.09Å; D101-R103 IonicContact OD2-NH2 3.33Å; D101-R103 PolarHBondContact OD2-NH2 3.06Å; R103-V105 VanDerWaalsContact C-N 3.28Å; R103-V105 PolarHBondContact O-N 2.95Å; R103-Y106 PolarHBondContact O-N 2.87Å; R103-E107 WeakPolarHBondContact O-CB 3.49Å; R103-E107 WeakPolarHBondContact O-CG 3.17Å; R103-E107 PolarHBondContact O-N 3.26Å; R103-F121 VanDerWaalsContact CA-CZ 3.48Å; R103-F121 HydrophobicContact CB-CE1 4.2Å; R103-F121 HydrophobicContact CB-CE2 4.16Å; R103-F121 HydrophobicContact CB-CZ 4.01Å; R103-F121 HydrophobicContact CG-CD1 3.66Å; R103-F121 HydrophobicContact CG-CD2 4.12Å; R103-F121 HydrophobicContact CG-CE1 3.63Å; R103-F121 HydrophobicContact CG-CE2 4.11Å; R103-F121 HydrophobicContact CG-CG 3.93Å; R103-F121 HydrophobicContact CG-CZ 3.91Å; R103-D123 IonicContact CZ-OD2 2.74Å; R103-D123 IonicContact NH1-OD2 2.66Å; R103-D123 PolarHBondContact NH1-OD2 3.22Å; R103-L155 HydrophobicContact CG-CD2 4.01Å
104	R	95.3	Very high	94.2	Very high	123 Å²	123	47.4 Å²	47.4	46%	0.464	23%	0.227	S	C	.	.	H	α-helix	trans	-65.6	-33.4	-177.2	-58.2	-178.2	174	-170.5	-6.5	111.6	I98 D101 C108	I98-R104 HydrophobicContact CB-CB 4.38Å; I98-R104 HydrophobicContact CG2-CB 3.82Å; D101-R104 HydrophobicContact CB-CB 4.42Å; D101-R104 HydrophobicContact CB-CG 4.09Å; D101-R104 PolarHBondContact O-N 3.06Å; R104-C108 PolarHBondContact O-N 3.26Å; R104-C108 VanDerWaalsContact O-N 3.17Å; R104-C108 PolarHBondContact O-SG 3.39Å
105	V	95.8	Very high	94.2	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.036	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-57.9	171.6	177	0	0	0	0	110.8	I98 D101 R103 E107 C108 L109 V288	I98-V105 HydrophobicContact CG2-CG2 4.46Å; I98-V105 WeakPolarHBondContact O-CG2 3.27Å; D101-V105 PolarHBondContact O-N 3.4Å; D101-V105 VanDerWaalsContact O-N 3.16Å; R103-V105 VanDerWaalsContact C-N 3.28Å; R103-V105 PolarHBondContact O-N 2.95Å; V105-E107 PolarHBondContact O-N 3.03Å; V105-C108 PolarHBondContact O-N 2.74Å; V105-C108 VanDerWaalsContact O-N 3.09Å; V105-L109 HydrophobicContact CG1-CD1 4.19Å; V105-L109 HydrophobicContact CG1-CG 4.45Å; V105-L109 WeakPolarHBondContact O-CG 3.41Å; V105-L109 PolarHBondContact O-N 3.48Å; V105-V288 HydrophobicContact CG1-CB 3.8Å; V105-V288 HydrophobicContact CG1-CG2 3.63Å
106	Y	96.1	Very high	94.2	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.02	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-37.6	-178.4	-84.7	-169.3	0	0	0	112.7	R102 R103 C108 L109 T110 V116 Y119 K153 M201 E203 C286	R102-Y106 PolarHBondContact O-N 3.25Å; R103-Y106 PolarHBondContact O-N 2.87Å; Y106-C108 VanDerWaalsContact C-N 3.27Å; Y106-C108 PolarHBondContact O-N 3.45Å; Y106-L109 HydrophobicContact CD2-CD1 4.2Å; Y106-L109 PolarHBondContact O-N 3.36Å; Y106-T110 WeakPolarHBondContact O-CB 3.36Å; Y106-T110 PolarHBondContact O-N 3.29Å; Y106-T110 PolarHBondContact O-OG1 2.92Å; Y106-V116 HydrophobicContact CD2-CB 4.5Å; Y106-V116 HydrophobicContact CD2-CG1 4.1Å; Y106-V116 HydrophobicContact CE2-CB 4.31Å; Y106-V116 HydrophobicContact CE2-CG1 4.12Å; Y106-Y119 AromaticContact CD1-CD1 3.36Å; Y106-Y119 HydrophobicContact CD1-CD1 3.36Å; Y106-Y119 HydrophobicContact CD1-CD2 4.11Å; Y106-Y119 AromaticContact CD1-CE1 3.69Å; Y106-Y119 HydrophobicContact CD1-CE1 3.69Å; Y106-Y119 HydrophobicContact CD1-CE2 4.41Å; Y106-Y119 AromaticContact CD1-CG 3.6Å; Y106-Y119 HydrophobicContact CD1-CG 3.6Å; Y106-Y119 AromaticContact CE1-CD1 3.81Å; Y106-Y119 HydrophobicContact CE1-CD1 3.81Å; Y106-Y119 HydrophobicContact CE1-CG 4Å; Y106-Y119 HydrophobicContact CG-CD1 4.29Å; Y106-Y119 HydrophobicContact CG-CE1 4.21Å; Y106-K153 PolarHBondContact OH-NZ 3.4Å; Y106-M201 HydrophobicContact CD1-CE 4.21Å; Y106-M201 HydrophobicContact CD1-SD 3.4Å; Y106-M201 WeakPolarHBondContact CD1-SD 3.47Å; Y106-M201 HydrophobicContact CE1-CE 3.53Å; Y106-M201 HydrophobicContact CE1-SD 3.31Å; Y106-M201 WeakPolarHBondContact CE1-SD 3.44Å; Y106-M201 HydrophobicContact CG-SD 4.38Å; Y106-E203 PolarHBondContact OH-OE2 3.4Å; Y106-C286 WeakPolarHBondContact OH-CA 3.41Å; Y106-C286 PolarHBondContact OH-O 2.97Å
107	E	95.1	Very high	94.2	Very high	90 Å²	90	45.1 Å²	45.1	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-54.6	-41.7	170.3	-77.7	171.8	-152.1	0	0	112.8	R103 V105 R111	R103-E107 WeakPolarHBondContact O-CB 3.49Å; R103-E107 WeakPolarHBondContact O-CG 3.17Å; R103-E107 PolarHBondContact O-N 3.26Å; V105-E107 PolarHBondContact O-N 3.03Å; E107-R111 WeakPolarHBondContact O-CB 3.28Å; E107-R111 PolarHBondContact O-N 2.95Å; E107-R111 VanDerWaalsContact O-N 3.14Å
108	C	94.5	Very high	94.2	Very high	15 Å²	15	45.5 Å²	45.5	10%	0.101	22%	0.221	C	C	.	.	H	α-helix	trans	-73.4	-36.3	178.6	-65.3	0	0	0	0	112.7	R104 V105 Y106 R111 E112 A266	R104-C108 PolarHBondContact O-N 3.26Å; R104-C108 VanDerWaalsContact O-N 3.17Å; R104-C108 PolarHBondContact O-SG 3.39Å; V105-C108 PolarHBondContact O-N 2.74Å; V105-C108 VanDerWaalsContact O-N 3.09Å; Y106-C108 VanDerWaalsContact C-N 3.27Å; Y106-C108 PolarHBondContact O-N 3.45Å; C108-R111 PolarHBondContact SG-NH1 2.95Å; C108-R111 VanDerWaalsContact SG-NH1 3.37Å; C108-E112 PolarHBondContact O-N 2.6Å; C108-A266 HydrophobicContact CB-CB 4.41Å
109	L	95.2	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.1	-48.4	176	-65.1	-175.4	0	0	0	112	V105 Y106 R111 E112 G113 V114 V116 V263 A266 V285 V288	V105-L109 HydrophobicContact CG1-CD1 4.19Å; V105-L109 HydrophobicContact CG1-CG 4.45Å; V105-L109 WeakPolarHBondContact O-CG 3.41Å; V105-L109 PolarHBondContact O-N 3.48Å; Y106-L109 HydrophobicContact CD2-CD1 4.2Å; Y106-L109 PolarHBondContact O-N 3.36Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.39Å; L109-E112 PolarHBondContact O-N 3.45Å; L109-G113 PolarHBondContact O-N 3.45Å; L109-V114 HydrophobicContact CB-CB 4.07Å; L109-V114 HydrophobicContact CB-CG1 4.36Å; L109-V114 HydrophobicContact CD2-CB 4.28Å; L109-V114 HydrophobicContact CD2-CG1 4.21Å; L109-V114 HydrophobicContact CD2-CG2 4.39Å; L109-V114 WeakPolarHBondContact O-CB 3.4Å; L109-V114 PolarHBondContact O-N 3.4Å; L109-V116 HydrophobicContact CB-CG1 3.85Å; L109-V116 HydrophobicContact CD1-CG1 3.74Å; L109-V116 HydrophobicContact CG-CG1 4.48Å; L109-V263 HydrophobicContact CD2-CB 4.39Å; L109-V263 HydrophobicContact CD2-CG1 4.41Å; L109-V263 HydrophobicContact CD2-CG2 3.84Å; L109-A266 HydrophobicContact CD2-CB 4.4Å; L109-V285 HydrophobicContact CD1-CB 3.97Å; L109-V285 HydrophobicContact CD1-CG1 3.55Å; L109-V288 HydrophobicContact CD1-CG2 3.98Å
110	T	93.7	Very high	94.3	Very high	71 Å²	71	45.9 Å²	45.9	44%	0.436	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-41.6	178.3	-59.4	0	0	0	0	111.3	Y106 E112 G113 Y119	Y106-T110 WeakPolarHBondContact O-CB 3.36Å; Y106-T110 PolarHBondContact O-N 3.29Å; Y106-T110 PolarHBondContact O-OG1 2.92Å; T110-E112 VanDerWaalsContact C-N 3.34Å; T110-E112 PolarHBondContact O-N 2.88Å; T110-G113 PolarHBondContact O-N 3.05Å; T110-Y119 PolarHBondContact OG1-OH 3.25Å
111	R	93.1	Very high	94.2	Very high	159 Å²	159	46.9 Å²	46.9	60%	0.6	23%	0.226	S	C	*	.	H	α-helix	trans	-62.2	-36.6	177.6	-170.9	-176.6	-54.8	110.3	4.8	113.4	E107 C108 L109 G113	E107-R111 WeakPolarHBondContact O-CB 3.28Å; E107-R111 PolarHBondContact O-N 2.95Å; E107-R111 VanDerWaalsContact O-N 3.14Å; C108-R111 PolarHBondContact SG-NH1 2.95Å; C108-R111 VanDerWaalsContact SG-NH1 3.37Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.39Å; R111-G113 PolarHBondContact O-N 3.44Å
112	E	89.8	Confident	94.1	Very high	94 Å²	94	45.8 Å²	45.8	44%	0.439	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.7	175	-71.2	-63.6	139.5	0	0	113.1	C108 L109 T110 V114 K262 A266	C108-E112 PolarHBondContact O-N 2.6Å; L109-E112 PolarHBondContact O-N 3.45Å; T110-E112 VanDerWaalsContact C-N 3.34Å; T110-E112 PolarHBondContact O-N 2.88Å; E112-V114 HydrophobicContact CB-CG2 4.32Å; E112-K262 WeakPolarHBondContact O-CD 3.22Å; E112-K262 WeakPolarHBondContact O-CE 3.34Å; E112-K262 PolarHBondContact O-NZ 2.75Å; E112-A266 HydrophobicContact CG-CB 3.93Å
113	G	90.9	Very high	93.8	Very high	51 Å²	51	46.8 Å²	46.8	53%	0.526	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	42.7	-174.7	0	0	0	0	0	112.4	L109 T110 R111 K262	L109-G113 PolarHBondContact O-N 3.45Å; T110-G113 PolarHBondContact O-N 3.05Å; R111-G113 PolarHBondContact O-N 3.44Å; G113-K262 PolarHBondContact O-NZ 3.34Å
114	V	93.4	Very high	93.5	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.036	23%	0.225	C	C	.	.			trans	-91.9	126.1	167.1	173.8	0	0	0	0	108.4	L109 E112 V116 I259 K262 V263 V285	L109-V114 HydrophobicContact CB-CB 4.07Å; L109-V114 HydrophobicContact CB-CG1 4.36Å; L109-V114 HydrophobicContact CD2-CB 4.28Å; L109-V114 HydrophobicContact CD2-CG1 4.21Å; L109-V114 HydrophobicContact CD2-CG2 4.39Å; L109-V114 WeakPolarHBondContact O-CB 3.4Å; L109-V114 PolarHBondContact O-N 3.4Å; E112-V114 HydrophobicContact CB-CG2 4.32Å; V114-V116 PolarHBondContact O-N 3.36Å; V114-I259 HydrophobicContact CG1-CG2 3.92Å; V114-K262 HydrophobicContact CG2-CB 3.5Å; V114-K262 VanDerWaalsContact CG2-CB 3.5Å; V114-K262 HydrophobicContact CG2-CD 3.84Å; V114-K262 HydrophobicContact CG2-CG 4.34Å; V114-V263 HydrophobicContact CG1-CG2 4.16Å; V114-V285 HydrophobicContact CG1-CB 4.19Å; V114-V285 HydrophobicContact CG1-CG2 3.61Å
115	P	94.3	Very high	92.9	Very high	35 Å²	35	46.3 Å²	46.3	23%	0.227	24%	0.237	C	C	.	.			trans	-63.3	131.4	176.8	-21.3	32.9	0	0	0	112	I259 M282 Y284 V285	P115-I259 HydrophobicContact CG-CD1 4.36Å; P115-M282 HydrophobicContact CG-CE 4.46Å; P115-Y284 HydrophobicContact CB-CD1 3.84Å; P115-Y284 HydrophobicContact CB-CE1 4.27Å; P115-Y284 CarbonylContact O-C 3.56Å; P115-Y284 WeakPolarHBondContact O-CA 3.31Å; P115-V285 PolarHBondContact O-N 3.35Å
116	V	95.7	Very high	92.2	Very high	22 Å²	22	48.4 Å²	48.4	13%	0.133	25%	0.252	C	S	.	.			trans	-129.5	158.5	171.7	-61.7	0	0	0	0	108.6	Y106 L109 V114 Y119 Y284 V285	Y106-V116 HydrophobicContact CD2-CB 4.5Å; Y106-V116 HydrophobicContact CD2-CG1 4.1Å; Y106-V116 HydrophobicContact CE2-CB 4.31Å; Y106-V116 HydrophobicContact CE2-CG1 4.12Å; L109-V116 HydrophobicContact CB-CG1 3.85Å; L109-V116 HydrophobicContact CD1-CG1 3.74Å; L109-V116 HydrophobicContact CG-CG1 4.48Å; V114-V116 PolarHBondContact O-N 3.36Å; V116-Y119 HydrophobicContact CG2-CD1 3.95Å; V116-Y119 HydrophobicContact CG2-CE1 3.71Å; V116-Y284 WeakPolarHBondContact O-CD1 3.36Å; V116-V285 HydrophobicContact CG1-CB 4.44Å; V116-V285 WeakPolarHBondContact CG1-O 3.3Å
117	P	95.2	Very high	91.3	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	29%	0.294	C	S	.	.			trans	-56.5	150.8	170.7	-21.6	33.4	0	0	0	110.8	Y119 E203 M206 V285 C286	P117-Y119 WeakPolarHBondContact O-CD1 3.4Å; P117-Y119 PolarHBondContact O-N 2.9Å; P117-E203 HydrophobicContact CB-CB 4.29Å; P117-M206 HydrophobicContact CB-CG 3.98Å; P117-M206 HydrophobicContact CB-SD 3.94Å; P117-M206 HydrophobicContact CG-CG 3.85Å; P117-M206 HydrophobicContact CG-SD 4.4Å; P117-V285 VanDerWaalsContact CD-O 3.29Å; P117-V285 WeakPolarHBondContact CD-O 3.44Å; P117-C286 HydrophobicContact CG-CB 4.32Å
118	R	94.8	Very high	90.6	Very high	87 Å²	87	59.8 Å²	59.8	33%	0.328	31%	0.31	S	S	.	.			trans	-60.6	134.5	172.5	-177.4	177.7	62.9	99.1	-3.8	109.3	E144 V145 F146 E203 E204	R118-E144 WeakPolarHBondContact CD-OE2 3.29Å; R118-E144 IonicContact CZ-OE2 2.61Å; R118-E144 IonicContact NE-OE2 2.73Å; R118-E144 IonicContact NH1-OE2 2.75Å; R118-E144 PolarHBondContact NH1-OE2 2.88Å; R118-V145 PolarHBondContact NH1-O 3.42Å; R118-V145 PolarHBondContact NH2-O 2.88Å; R118-F146 HydrophobicContact CG-CE1 4.3Å; R118-F146 HydrophobicContact CG-CZ 4.44Å; R118-E203 CarbonylContact O-C 3.58Å; R118-E203 WeakPolarHBondContact O-CA 3.13Å; R118-E203 WeakPolarHBondContact O-CB 3.26Å; R118-E204 HydrophobicContact CB-CB 4.27Å; R118-E204 IonicContact CZ-OE2 2.92Å; R118-E204 VanDerWaalsContact CZ-OE2 3.28Å; R118-E204 IonicContact NE-OE2 3.86Å; R118-E204 PolarHBondContact NE-OE2 3.38Å; R118-E204 IonicContact NH2-OE2 2.64Å; R118-E204 PolarHBondContact NH2-OE2 3.27Å; R118-E204 PolarHBondContact O-N 3.08Å
119	Y	95.2	Very high	89.8	Confident	55 Å²	55	62.8 Å²	62.8	22%	0.216	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.6	-171	67.6	-96.7	0	0	0	113.4	Y106 T110 V116 P117 F121 Y202	Y106-Y119 AromaticContact CD1-CD1 3.36Å; Y106-Y119 HydrophobicContact CD1-CD1 3.36Å; Y106-Y119 HydrophobicContact CD1-CD2 4.11Å; Y106-Y119 AromaticContact CD1-CE1 3.69Å; Y106-Y119 HydrophobicContact CD1-CE1 3.69Å; Y106-Y119 HydrophobicContact CD1-CE2 4.41Å; Y106-Y119 AromaticContact CD1-CG 3.6Å; Y106-Y119 HydrophobicContact CD1-CG 3.6Å; Y106-Y119 AromaticContact CE1-CD1 3.81Å; Y106-Y119 HydrophobicContact CE1-CD1 3.81Å; Y106-Y119 HydrophobicContact CE1-CG 4Å; Y106-Y119 HydrophobicContact CG-CD1 4.29Å; Y106-Y119 HydrophobicContact CG-CE1 4.21Å; T110-Y119 PolarHBondContact OG1-OH 3.25Å; V116-Y119 HydrophobicContact CG2-CD1 3.95Å; V116-Y119 HydrophobicContact CG2-CE1 3.71Å; P117-Y119 WeakPolarHBondContact O-CD1 3.4Å; P117-Y119 PolarHBondContact O-N 2.9Å; Y119-F121 HydrophobicContact CD2-CD2 4.33Å; Y119-F121 HydrophobicContact CD2-CE1 4.23Å; Y119-F121 AromaticContact CD2-CE2 3.74Å; Y119-F121 HydrophobicContact CD2-CE2 3.74Å; Y119-F121 AromaticContact CD2-CZ 3.64Å; Y119-F121 HydrophobicContact CD2-CZ 3.64Å; Y119-F121 HydrophobicContact CE2-CD2 4.16Å; Y119-F121 AromaticContact CE2-CE2 3.35Å; Y119-F121 HydrophobicContact CE2-CE2 3.35Å; Y119-F121 AromaticContact CE2-CZ 3.55Å; Y119-F121 HydrophobicContact CE2-CZ 3.55Å; Y119-Y202 CarbonylContact C-O 3.55Å; Y119-Y202 WeakPolarHBondContact CA-O 3.09Å
120	A	94.4	Very high	89.1	Confident	14 Å²	14	64.4 Å²	64.4	12%	0.116	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.8	168.1	0	0	0	0	0	110.8	I141 F146 M201 Y202	A120-I141 HydrophobicContact CB-CB 4.15Å; A120-I141 HydrophobicContact CB-CD1 3.98Å; A120-I141 HydrophobicContact CB-CG2 3.95Å; A120-F146 HydrophobicContact CB-CE2 3.62Å; A120-F146 HydrophobicContact CB-CZ 3.73Å; A120-M201 WeakPolarHBondContact O-CA 3.33Å; A120-Y202 PolarHBondContact N-O 3.17Å; A120-Y202 PolarHBondContact O-N 3.5Å
121	F	92.3	Very high	88.5	Confident	48 Å²	48	69.3 Å²	69.3	21%	0.211	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.2	177.5	-60.1	-60.1	0	0	0	111.3	R103 Y119 L155 M201	R103-F121 VanDerWaalsContact CA-CZ 3.48Å; R103-F121 HydrophobicContact CB-CE1 4.2Å; R103-F121 HydrophobicContact CB-CE2 4.16Å; R103-F121 HydrophobicContact CB-CZ 4.01Å; R103-F121 HydrophobicContact CG-CD1 3.66Å; R103-F121 HydrophobicContact CG-CD2 4.12Å; R103-F121 HydrophobicContact CG-CE1 3.63Å; R103-F121 HydrophobicContact CG-CE2 4.11Å; R103-F121 HydrophobicContact CG-CG 3.93Å; R103-F121 HydrophobicContact CG-CZ 3.91Å; Y119-F121 HydrophobicContact CD2-CD2 4.33Å; Y119-F121 HydrophobicContact CD2-CE1 4.23Å; Y119-F121 AromaticContact CD2-CE2 3.74Å; Y119-F121 HydrophobicContact CD2-CE2 3.74Å; Y119-F121 AromaticContact CD2-CZ 3.64Å; Y119-F121 HydrophobicContact CD2-CZ 3.64Å; Y119-F121 HydrophobicContact CE2-CD2 4.16Å; Y119-F121 AromaticContact CE2-CE2 3.35Å; Y119-F121 HydrophobicContact CE2-CE2 3.35Å; Y119-F121 AromaticContact CE2-CZ 3.55Å; Y119-F121 HydrophobicContact CE2-CZ 3.55Å; F121-L155 HydrophobicContact CD1-CD2 3.82Å; F121-L155 HydrophobicContact CE1-CD2 4.43Å; F121-M201 HydrophobicContact CD1-CB 3.72Å; F121-M201 HydrophobicContact CD1-CG 3.68Å; F121-M201 HydrophobicContact CD1-SD 4.25Å; F121-M201 HydrophobicContact CE1-CB 3.79Å; F121-M201 HydrophobicContact CE1-CG 3.46Å; F121-M201 VanDerWaalsContact CE1-CG 3.46Å; F121-M201 HydrophobicContact CE1-SD 3.41Å; F121-M201 WeakPolarHBondContact CE1-SD 3.38Å; F121-M201 HydrophobicContact CZ-CG 4.48Å; F121-M201 HydrophobicContact CZ-SD 4.08Å
122	V	92	Very high	88.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	92.9	173.4	-179.7	0	0	0	0	107	R124 V130 V132 I141 S199 Y200 Y202	V122-R124 HydrophobicContact CG1-CG 3.87Å; V122-V130 HydrophobicContact CG1-CB 4.49Å; V122-V130 HydrophobicContact CG2-CG1 4.41Å; V122-V132 HydrophobicContact CB-CG2 4.25Å; V122-V132 HydrophobicContact CG1-CG2 3.64Å; V122-V132 HydrophobicContact CG2-CG2 3.58Å; V122-I141 HydrophobicContact CG2-CD1 3.82Å; V122-I141 HydrophobicContact CG2-CG1 4.1Å; V122-I141 HydrophobicContact CG2-CG2 3.76Å; V122-S199 WeakPolarHBondContact O-CA 3.25Å; V122-S199 WeakPolarHBondContact O-CB 3.48Å; V122-Y200 PolarHBondContact N-O 2.96Å; V122-Y200 PolarHBondContact O-N 3.45Å; V122-Y202 HydrophobicContact CB-CD2 4.4Å; V122-Y202 HydrophobicContact CB-CE2 4Å; V122-Y202 HydrophobicContact CG2-CD2 3.77Å; V122-Y202 HydrophobicContact CG2-CE2 3.69Å
123	D	88.7	Confident	88.5	Confident	31 Å²	31	61.5 Å²	61.5	17%	0.166	33%	0.331	C	S	.	.			trans	-86.6	120.7	166.4	-152.3	-18.8	0	0	0	109.3	R103 T125 S126 S199	R103-D123 IonicContact CZ-OD2 2.74Å; R103-D123 IonicContact NH1-OD2 2.66Å; R103-D123 PolarHBondContact NH1-OD2 3.22Å; D123-T125 PolarHBondContact OD1-N 2.67Å; D123-T125 VanDerWaalsContact OD1-N 3.1Å; D123-T125 PolarHBondContact OD1-OG1 3.23Å; D123-S126 PolarHBondContact O-OG 3.34Å; D123-S199 WeakPolarHBondContact OD1-CB 3.21Å; D123-S199 PolarHBondContact OD1-OG 3Å
124	R	87.9	Confident	88.6	Confident	65 Å²	65	62.1 Å²	62.1	25%	0.245	32%	0.32	C	S	.	.	S	Bend	trans	-98.9	3	177.9	-56.4	-166.4	-179.2	110.5	-6	112.2	V122 R195 T196 G198 S199 Y202	V122-R124 HydrophobicContact CG1-CG 3.87Å; R124-R195 PolarHBondContact NH1-O 2.66Å; R124-R195 PolarHBondContact NH2-O 3.21Å; R124-T196 WeakPolarHBondContact CD-O 3.16Å; R124-T196 PolarHBondContact NH1-O 3.26Å; R124-G198 WeakPolarHBondContact CD-O 3.12Å; R124-G198 PolarHBondContact NH1-O 3.2Å; R124-S199 PolarHBondContact N-OG 3.07Å; R124-Y202 PolarHBondContact NH2-OH 3.16Å
125	T	83.1	Confident	88.4	Confident	118 Å²	118	66.2 Å²	66.2	72%	0.724	34%	0.341	S	S	*	.	S	Bend	trans	-105	-0.6	173.5	69.1	0	0	0	0	113.5	D123	D123-T125 PolarHBondContact OD1-N 2.67Å; D123-T125 VanDerWaalsContact OD1-N 3.1Å; D123-T125 PolarHBondContact OD1-OG1 3.23Å
126	S	80.7	Confident	88.1	Confident	49 Å²	49	71.2 Å²	71.2	34%	0.343	37%	0.366	S	S	.	.	S	Bend	trans	-73.7	151.5	171.5	54.3	0	0	0	0	111.9	D123 N128 P129	D123-S126 PolarHBondContact O-OG 3.34Å; S126-N128 PolarHBondContact O-N 3.2Å; S126-N128 PolarHBondContact OG-O 3.43Å; S126-P129 WeakPolarHBondContact O-CD 3.36Å
127	E	78.3	Confident	87.9	Confident	193 Å²	193	72.7 Å²	72.7	90%	0.902	37%	0.373	S	S	*	.	S	Bend	trans	-57.3	-32.3	178.5	-61.4	176.9	161.9	0	0	112.8	P129	E127-P129 WeakPolarHBondContact O-CD 3.42Å
128	N	79.8	Confident	87.8	Confident	141 Å²	141	73.2 Å²	73.2	75%	0.754	38%	0.377	S	S	*	.	S	Bend	trans	-112.4	92.6	168	-69.7	-68.9	0	0	0	108.4	S126	S126-N128 PolarHBondContact O-N 3.2Å; S126-N128 PolarHBondContact OG-O 3.43Å
129	P	76.7	Confident	87.9	Confident	78 Å²	78	69.1 Å²	69.1	51%	0.506	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-74.7	131	-178.4	28.4	-33.7	0	0	0	111.1	S126 E127 K131	S126-P129 WeakPolarHBondContact O-CD 3.36Å; E127-P129 WeakPolarHBondContact O-CD 3.42Å; P129-K131 PolarHBondContact O-N 2.85Å
130	V	80.3	Confident	87.9	Confident	35 Å²	35	70.1 Å²	70.1	21%	0.212	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-65.4	119	-179.1	172.1	0	0	0	0	110.4	V122 V132 I141 N142	V122-V130 HydrophobicContact CG1-CB 4.49Å; V122-V130 HydrophobicContact CG2-CG1 4.41Å; V130-V132 PolarHBondContact O-N 2.98Å; V130-I141 HydrophobicContact CG1-CG2 3.73Å; V130-N142 WeakPolarHBondContact CG1-OD1 3.15Å
131	K	82.5	Confident	87.8	Confident	174 Å²	174	69.6 Å²	69.6	76%	0.757	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-72.7	121.8	174.8	-170.2	179	-177.8	-176.6	0	109.6	P129	P129-K131 PolarHBondContact O-N 2.85Å
132	V	90.5	Very high	87.4	Confident	29 Å²	29	73.5 Å²	73.5	18%	0.176	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.7	169.8	-171.5	0	0	0	0	108.3	V122 V130 I139 E140 I141 I194	V122-V132 HydrophobicContact CB-CG2 4.25Å; V122-V132 HydrophobicContact CG1-CG2 3.64Å; V122-V132 HydrophobicContact CG2-CG2 3.58Å; V130-V132 PolarHBondContact O-N 2.98Å; V132-I139 HydrophobicContact CG1-CB 4.1Å; V132-E140 WeakPolarHBondContact CA-O 3.15Å; V132-I141 HydrophobicContact CG1-CG1 4.04Å; V132-I141 HydrophobicContact CG2-CG1 4.27Å; V132-I194 HydrophobicContact CB-CD1 4.28Å; V132-I194 HydrophobicContact CG1-CD1 3.7Å
133	V	92.2	Very high	87	Confident	60 Å²	60	75.9 Å²	75.9	36%	0.364	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.7	166.6	-176	0	0	0	0	107.4	L135 I139 E140	V133-L135 HydrophobicContact CG1-CD2 4.44Å; V133-I139 CarbonylContact O-C 3.59Å; V133-I139 VanDerWaalsContact O-CA 3.31Å; V133-I139 WeakPolarHBondContact O-CA 3.31Å; V133-E140 HydrophobicContact CB-CB 4.21Å; V133-E140 PolarHBondContact N-O 3.21Å; V133-E140 PolarHBondContact O-N 2.8Å
134	E	93	Very high	86.9	Confident	63 Å²	63	78.6 Å²	78.6	29%	0.294	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.8	175	179.8	163.9	-126.3	0	0	110.3	I139 N193 I194	E134-I139 HydrophobicContact CB-CG2 4.29Å; E134-I139 HydrophobicContact CG-CG2 4.19Å; E134-N193 VanDerWaalsContact OE1-CA 3.24Å; E134-N193 WeakPolarHBondContact OE1-CA 3.24Å; E134-I194 PolarHBondContact OE1-N 2.73Å
135	L	89.5	Confident	87.2	Confident	92 Å²	92	78 Å²	78	48%	0.482	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	164.5	174.5	-56.5	170.2	0	0	0	108.4	V133 D137 S138	V133-L135 HydrophobicContact CG1-CD2 4.44Å; L135-D137 VanDerWaalsContact C-N 3.33Å; L135-D137 PolarHBondContact O-N 2.94Å; L135-S138 CarbonylContact C-O 3.59Å; L135-S138 WeakPolarHBondContact CA-O 3.48Å; L135-S138 WeakPolarHBondContact CB-O 3.47Å; L135-S138 PolarHBondContact N-O 3.25Å; L135-S138 PolarHBondContact O-N 3Å
136	D	87.1	Confident	87.8	Confident	140 Å²	140	72.4 Å²	72.4	75%	0.749	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-48.1	-173.1	-61.3	-27.5	0	0	0	113.2	K148	D136-K148 WeakPolarHBondContact O-CE 3.43Å; D136-K148 PolarHBondContact O-NZ 3.1Å
137	D	91.1	Very high	88.4	Confident	53 Å²	53	76.2 Å²	76.2	28%	0.283	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	14	-177.4	-88.7	10.8	0	0	0	114.2	L135 H147 K148 P167 S168	L135-D137 VanDerWaalsContact C-N 3.33Å; L135-D137 PolarHBondContact O-N 2.94Å; D137-H147 WeakPolarHBondContact O-CA 3.45Å; D137-K148 PolarHBondContact O-N 3.05Å; D137-P167 WeakPolarHBondContact OD2-CB 3.31Å; D137-S168 VanDerWaalsContact CG-N 3.32Å; D137-S168 VanDerWaalsContact OD1-CB 3.24Å; D137-S168 WeakPolarHBondContact OD1-CB 3.28Å; D137-S168 PolarHBondContact OD1-N 2.9Å; D137-S168 PolarHBondContact OD1-OG 2.8Å; D137-S168 PolarHBondContact OD2-N 3.36Å; D137-S168 VanDerWaalsContact OD2-N 3.11Å
138	S	94.6	Very high	89.2	Confident	13 Å²	13	67.8 Å²	67.8	9%	0.091	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	161.9	175.1	54.8	0	0	0	0	113.9	L135 F146	L135-S138 CarbonylContact C-O 3.59Å; L135-S138 WeakPolarHBondContact CA-O 3.48Å; L135-S138 WeakPolarHBondContact CB-O 3.47Å; L135-S138 PolarHBondContact N-O 3.25Å; L135-S138 PolarHBondContact O-N 3Å; S138-F146 CarbonylContact C-O 3.6Å; S138-F146 WeakPolarHBondContact CA-O 3.28Å; S138-F146 WeakPolarHBondContact CB-O 3.45Å
139	I	95.9	Very high	89.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.8	164.7	62.3	178.2	0	0	0	110.2	V132 V133 E134 I141 V145 F146 F150 I194 Y202	V132-I139 HydrophobicContact CG1-CB 4.1Å; V133-I139 CarbonylContact O-C 3.59Å; V133-I139 VanDerWaalsContact O-CA 3.31Å; V133-I139 WeakPolarHBondContact O-CA 3.31Å; E134-I139 HydrophobicContact CB-CG2 4.29Å; E134-I139 HydrophobicContact CG-CG2 4.19Å; I139-I141 HydrophobicContact CD1-CD1 3.89Å; I139-I141 HydrophobicContact CD1-CG1 4.47Å; I139-I141 HydrophobicContact CG1-CD1 4.42Å; I139-V145 CarbonylContact O-C 3.56Å; I139-V145 WeakPolarHBondContact O-CA 3.16Å; I139-F146 HydrophobicContact CG1-CB 3.86Å; I139-F146 PolarHBondContact N-O 2.93Å; I139-F146 PolarHBondContact O-N 3.38Å; I139-F150 HydrophobicContact CB-CE1 4.42Å; I139-F150 HydrophobicContact CB-CZ 4.44Å; I139-F150 HydrophobicContact CD1-CD2 4.31Å; I139-F150 HydrophobicContact CD1-CE1 4.16Å; I139-F150 HydrophobicContact CD1-CE2 3.84Å; I139-F150 HydrophobicContact CD1-CZ 3.77Å; I139-F150 HydrophobicContact CG1-CD1 4.38Å; I139-F150 HydrophobicContact CG1-CE1 3.9Å; I139-F150 HydrophobicContact CG1-CE2 4.47Å; I139-F150 HydrophobicContact CG1-CZ 3.97Å; I139-F150 HydrophobicContact CG2-CE1 3.93Å; I139-F150 HydrophobicContact CG2-CZ 3.68Å; I139-I194 HydrophobicContact CD1-CG2 4.42Å; I139-I194 HydrophobicContact CG2-CD1 4.4Å; I139-I194 HydrophobicContact CG2-CG2 3.92Å; I139-Y202 HydrophobicContact CD1-CD1 3.29Å; I139-Y202 HydrophobicContact CD1-CD2 4.25Å; I139-Y202 HydrophobicContact CD1-CE1 3.76Å; I139-Y202 HydrophobicContact CD1-CG 3.59Å
140	E	94.5	Very high	90.8	Very high	77 Å²	77	59.7 Å²	59.7	36%	0.36	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.4	173.2	-168.3	-166.7	136.8	0	0	110	V132 V133 E144 V145	V132-E140 WeakPolarHBondContact CA-O 3.15Å; V133-E140 HydrophobicContact CB-CB 4.21Å; V133-E140 PolarHBondContact N-O 3.21Å; V133-E140 PolarHBondContact O-N 2.8Å; E140-E144 WeakPolarHBondContact CA-O 3.37Å; E140-V145 HydrophobicContact CB-CG2 4.5Å; E140-V145 HydrophobicContact CG-CG2 4.16Å
141	I	92.3	Very high	91.6	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	112.2	-178.2	-56.1	167.2	0	0	0	107.5	A120 V122 V130 V132 I139 G143 E144 F146 Y202	A120-I141 HydrophobicContact CB-CB 4.15Å; A120-I141 HydrophobicContact CB-CD1 3.98Å; A120-I141 HydrophobicContact CB-CG2 3.95Å; V122-I141 HydrophobicContact CG2-CD1 3.82Å; V122-I141 HydrophobicContact CG2-CG1 4.1Å; V122-I141 HydrophobicContact CG2-CG2 3.76Å; V130-I141 HydrophobicContact CG1-CG2 3.73Å; V132-I141 HydrophobicContact CG1-CG1 4.04Å; V132-I141 HydrophobicContact CG2-CG1 4.27Å; I139-I141 HydrophobicContact CD1-CD1 3.89Å; I139-I141 HydrophobicContact CD1-CG1 4.47Å; I139-I141 HydrophobicContact CG1-CD1 4.42Å; I141-G143 PolarHBondContact O-N 3.39Å; I141-G143 VanDerWaalsContact O-N 3.16Å; I141-E144 PolarHBondContact N-O 3.45Å; I141-E144 PolarHBondContact O-N 2.85Å; I141-F146 HydrophobicContact CD1-CD2 4.28Å; I141-F146 HydrophobicContact CD1-CE2 4.39Å; I141-Y202 HydrophobicContact CD1-CD2 3.47Å; I141-Y202 VanDerWaalsContact CD1-CD2 3.47Å; I141-Y202 HydrophobicContact CD1-CE2 4.31Å; I141-Y202 HydrophobicContact CD1-CG 3.78Å
142	N	85.3	Confident	92.3	Very high	130 Å²	130	50.2 Å²	50.2	70%	0.695	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	33.2	-177.4	-60.5	-30.9	0	0	0	114.3	V130 E144	V130-N142 WeakPolarHBondContact CG1-OD1 3.15Å; N142-E144 VanDerWaalsContact C-N 3.33Å; N142-E144 PolarHBondContact O-N 3.46Å
143	G	83	Confident	92.6	Very high	51 Å²	51	49.3 Å²	49.3	53%	0.526	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-9.5	-175.7	0	0	0	0	0	115.5	I141	I141-G143 PolarHBondContact O-N 3.39Å; I141-G143 VanDerWaalsContact O-N 3.16Å
144	E	87.5	Confident	92.7	Very high	87 Å²	87	46.8 Å²	46.8	41%	0.407	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.9	167.8	-86.6	-150.9	-145.2	0	0	111.2	R118 E140 I141 N142 F146	R118-E144 WeakPolarHBondContact CD-OE2 3.29Å; R118-E144 IonicContact CZ-OE2 2.61Å; R118-E144 IonicContact NE-OE2 2.73Å; R118-E144 IonicContact NH1-OE2 2.75Å; R118-E144 PolarHBondContact NH1-OE2 2.88Å; E140-E144 WeakPolarHBondContact CA-O 3.37Å; I141-E144 PolarHBondContact N-O 3.45Å; I141-E144 PolarHBondContact O-N 2.85Å; N142-E144 VanDerWaalsContact C-N 3.33Å; N142-E144 PolarHBondContact O-N 3.46Å; E144-F146 HydrophobicContact CB-CE2 3.84Å
145	V	93.4	Very high	92.8	Very high	53 Å²	53	44.4 Å²	44.4	32%	0.321	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.9	177.1	-176.6	0	0	0	0	110.7	R118 I139 E140	R118-V145 PolarHBondContact NH1-O 3.42Å; R118-V145 PolarHBondContact NH2-O 2.88Å; I139-V145 CarbonylContact O-C 3.56Å; I139-V145 WeakPolarHBondContact O-CA 3.16Å; E140-V145 HydrophobicContact CB-CG2 4.5Å; E140-V145 HydrophobicContact CG-CG2 4.16Å
146	F	95.9	Very high	93	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	101.9	172	-66.2	-96.7	0	0	0	108.3	R118 A120 S138 I139 I141 E144 F150	R118-F146 HydrophobicContact CG-CE1 4.3Å; R118-F146 HydrophobicContact CG-CZ 4.44Å; A120-F146 HydrophobicContact CB-CE2 3.62Å; A120-F146 HydrophobicContact CB-CZ 3.73Å; S138-F146 CarbonylContact C-O 3.6Å; S138-F146 WeakPolarHBondContact CA-O 3.28Å; S138-F146 WeakPolarHBondContact CB-O 3.45Å; I139-F146 HydrophobicContact CG1-CB 3.86Å; I139-F146 PolarHBondContact N-O 2.93Å; I139-F146 PolarHBondContact O-N 3.38Å; I141-F146 HydrophobicContact CD1-CD2 4.28Å; I141-F146 HydrophobicContact CD1-CE2 4.39Å; E144-F146 HydrophobicContact CB-CE2 3.84Å; F146-F150 HydrophobicContact CB-CB 4.31Å; F146-F150 HydrophobicContact CB-CD1 4.25Å; F146-F150 HydrophobicContact CB-CG 4.42Å; F146-F150 WeakPolarHBondContact O-CD1 3.49Å
147	H	93.5	Very high	93.2	Very high	128 Å²	128	39 Å²	39	59%	0.593	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72	148.3	173.5	-61.8	-69.7	0	0	0	110.8	D137 P149	D137-H147 WeakPolarHBondContact O-CA 3.45Å; H147-P149 CarbonylContact O-C 3.53Å; H147-P149 VanDerWaalsContact O-C 3.31Å
148	K	94.1	Very high	93	Very high	16 Å²	16	39.7 Å²	39.7	7%	0.07	22%	0.216	C	C	.	.	S	Bend	trans	-72.5	132.2	171.9	-63.1	177.8	-165.7	173.3	0	108.3	D136 D137 F150 F166 P167 S192	D136-K148 WeakPolarHBondContact O-CE 3.43Å; D136-K148 PolarHBondContact O-NZ 3.1Å; D137-K148 PolarHBondContact O-N 3.05Å; K148-F150 HydrophobicContact CB-CD1 4.45Å; K148-F150 HydrophobicContact CD-CE1 4.15Å; K148-F150 HydrophobicContact CG-CD1 3.65Å; K148-F150 HydrophobicContact CG-CE1 3.39Å; K148-F150 HydrophobicContact CG-CZ 4.28Å; K148-F166 WeakPolarHBondContact CD-O 3.49Å; K148-P167 HydrophobicContact CB-CB 3.94Å; K148-S192 PolarHBondContact NZ-O 3.35Å
149	P	93.7	Very high	92.8	Very high	49 Å²	49	41.6 Å²	41.6	32%	0.318	23%	0.225	S	C	.	.	S	Bend	cis	-81.8	137.2	9.2	31.5	-33.5	0	0	0	115.3	H147 Y165 F205	H147-P149 CarbonylContact O-C 3.53Å; H147-P149 VanDerWaalsContact O-C 3.31Å; P149-Y165 WeakPolarHBondContact CA-O 3.39Å; P149-F205 HydrophobicContact CB-CB 3.82Å; P149-F205 HydrophobicContact CB-CD1 4.08Å; P149-F205 HydrophobicContact CB-CG 3.96Å; P149-F205 HydrophobicContact CG-CB 3.98Å; P149-F205 HydrophobicContact CG-CD1 3.75Å; P149-F205 HydrophobicContact CG-CG 4.08Å; P149-F205 WeakPolarHBondContact O-CB 3.05Å; P149-F205 PolarHBondContact O-N 2.78Å
150	F	96	Very high	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	161.2	170.4	64.4	-109.8	0	0	0	110.7	I139 F146 K148 I164 Y165 I194 Y202 E203	I139-F150 HydrophobicContact CB-CE1 4.42Å; I139-F150 HydrophobicContact CB-CZ 4.44Å; I139-F150 HydrophobicContact CD1-CD2 4.31Å; I139-F150 HydrophobicContact CD1-CE1 4.16Å; I139-F150 HydrophobicContact CD1-CE2 3.84Å; I139-F150 HydrophobicContact CD1-CZ 3.77Å; I139-F150 HydrophobicContact CG1-CD1 4.38Å; I139-F150 HydrophobicContact CG1-CE1 3.9Å; I139-F150 HydrophobicContact CG1-CE2 4.47Å; I139-F150 HydrophobicContact CG1-CZ 3.97Å; I139-F150 HydrophobicContact CG2-CE1 3.93Å; I139-F150 HydrophobicContact CG2-CZ 3.68Å; F146-F150 HydrophobicContact CB-CB 4.31Å; F146-F150 HydrophobicContact CB-CD1 4.25Å; F146-F150 HydrophobicContact CB-CG 4.42Å; F146-F150 WeakPolarHBondContact O-CD1 3.49Å; K148-F150 HydrophobicContact CB-CD1 4.45Å; K148-F150 HydrophobicContact CD-CE1 4.15Å; K148-F150 HydrophobicContact CG-CD1 3.65Å; K148-F150 HydrophobicContact CG-CE1 3.39Å; K148-F150 HydrophobicContact CG-CZ 4.28Å; F150-I164 WeakPolarHBondContact O-CA 3.34Å; F150-Y165 HydrophobicContact CD2-CD2 4.08Å; F150-Y165 AromaticContact CE2-CD2 3.45Å; F150-Y165 HydrophobicContact CE2-CD2 3.45Å; F150-Y165 VanDerWaalsContact CE2-CD2 3.45Å; F150-Y165 HydrophobicContact CE2-CE2 4.32Å; F150-Y165 AromaticContact CE2-CG 3.84Å; F150-Y165 HydrophobicContact CE2-CG 3.84Å; F150-Y165 HydrophobicContact CZ-CD2 4.12Å; F150-Y165 HydrophobicContact CZ-CG 4.08Å; F150-Y165 PolarHBondContact N-O 3.26Å; F150-Y165 PolarHBondContact O-N 3.08Å; F150-I194 HydrophobicContact CE2-CG2 3.88Å; F150-I194 HydrophobicContact CZ-CG2 3.75Å; F150-Y202 HydrophobicContact CD2-CD1 4.16Å; F150-Y202 AromaticContact CE2-CD1 3.96Å; F150-Y202 HydrophobicContact CE2-CD1 3.96Å; F150-Y202 HydrophobicContact CE2-CE1 4.28Å; F150-E203 WeakPolarHBondContact CA-O 3.47Å; F150-E203 WeakPolarHBondContact CB-O 3.25Å
151	V	97	Very high	92.5	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.8	-177.8	-174.7	0	0	0	0	109.9	K153 I162 Y163 I164 Y202 E203 F205	V151-K153 HydrophobicContact CG1-CG 4.06Å; V151-I162 HydrophobicContact CG1-CG2 3.46Å; V151-I162 VanDerWaalsContact CG1-CG2 3.46Å; V151-Y163 CarbonylContact C-O 3.53Å; V151-Y163 WeakPolarHBondContact CA-O 3.36Å; V151-I164 HydrophobicContact CG1-CG1 4.35Å; V151-I164 HydrophobicContact CG2-CG1 4.18Å; V151-I164 HydrophobicContact CG2-CG2 4.36Å; V151-Y202 CarbonylContact O-C 3.54Å; V151-Y202 WeakPolarHBondContact O-CA 3.42Å; V151-E203 HydrophobicContact CB-CG 3.75Å; V151-E203 HydrophobicContact CG1-CG 4.39Å; V151-E203 HydrophobicContact CG2-CG 4.44Å; V151-E203 PolarHBondContact N-O 3.26Å; V151-E203 PolarHBondContact O-N 3.35Å; V151-F205 HydrophobicContact CG2-CB 4.26Å; V151-F205 HydrophobicContact CG2-CD2 3.88Å
152	E	97.3	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.4	176.3	179.5	-167.6	-112.3	0	0	109.3	I162 Y163 Y165 R195 Y200 M201 Y202	E152-I162 WeakPolarHBondContact O-CA 3.42Å; E152-Y163 PolarHBondContact N-O 2.9Å; E152-Y163 PolarHBondContact O-N 3.27Å; E152-Y165 HydrophobicContact CB-CD2 4.45Å; E152-Y165 HydrophobicContact CB-CE2 4.07Å; E152-R195 PolarHBondContact O-NH2 3Å; E152-R195 PolarHBondContact OE1-N 2.97Å; E152-R195 IonicContact OE2-CZ 3.16Å; E152-R195 IonicContact OE2-NE 2.69Å; E152-R195 PolarHBondContact OE2-NE 2.94Å; E152-R195 IonicContact OE2-NH2 2.77Å; E152-R195 PolarHBondContact OE2-NH2 3.27Å; E152-Y200 HydrophobicContact CG-CD1 3.92Å; E152-Y200 HydrophobicContact CG-CG 3.84Å; E152-M201 CarbonylContact C-O 3.11Å; E152-M201 WeakPolarHBondContact CA-O 3.38Å; E152-Y202 HydrophobicContact CB-CD1 3.9Å; E152-Y202 HydrophobicContact CB-CE1 3.73Å; E152-Y202 HydrophobicContact CG-CD1 3.97Å; E152-Y202 HydrophobicContact CG-CE1 3.39Å; E152-Y202 WeakPolarHBondContact OE1-CE1 3.19Å; E152-Y202 VanDerWaalsContact OE1-CZ 3.29Å; E152-Y202 PolarHBondContact OE1-OH 3.36Å
153	K	96.6	Very high	93.2	Very high	10 Å²	10	40 Å²	40	4%	0.043	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.6	178.2	-54.7	-169.1	-172.2	145.8	0	110.6	Y106 V151 I162 Y200 M201 E203 C286	Y106-K153 PolarHBondContact OH-NZ 3.4Å; V151-K153 HydrophobicContact CG1-CG 4.06Å; K153-I162 HydrophobicContact CB-CG1 4.28Å; K153-I162 HydrophobicContact CD-CD1 4.01Å; K153-I162 HydrophobicContact CD-CG1 4.43Å; K153-I162 HydrophobicContact CG-CD1 4.08Å; K153-I162 HydrophobicContact CG-CG1 3.96Å; K153-I162 HydrophobicContact CG-CG2 3.94Å; K153-Y200 WeakPolarHBondContact O-CA 3.48Å; K153-M201 HydrophobicContact CB-CE 4.12Å; K153-M201 HydrophobicContact CD-CE 3.63Å; K153-M201 HydrophobicContact CG-CE 4.08Å; K153-M201 PolarHBondContact N-O 2.83Å; K153-M201 PolarHBondContact O-N 3.38Å; K153-E203 VanDerWaalsContact CE-CD 3.5Å; K153-E203 WeakPolarHBondContact CE-OE1 3.35Å; K153-E203 WeakPolarHBondContact CE-OE2 3.36Å; K153-E203 IonicContact NZ-OE1 2.63Å; K153-E203 PolarHBondContact NZ-OE1 3.27Å; K153-E203 IonicContact NZ-OE2 2.66Å; K153-E203 PolarHBondContact NZ-OE2 3.38Å; K153-C286 PolarHBondContact NZ-O 3.46Å
154	P	96.2	Very high	93.8	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.039	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	140.9	166.5	-22.8	33.9	0	0	0	110.9	R102 H156 D159 N161 Y200	R102-P154 WeakPolarHBondContact CD-O 3.42Å; R102-P154 PolarHBondContact NE-O 3.08Å; P154-H156 PolarHBondContact O-N 3.21Å; P154-D159 HydrophobicContact CB-CB 3.81Å; P154-D159 WeakPolarHBondContact CB-OD2 3.34Å; P154-D159 HydrophobicContact CG-CB 4.03Å; P154-D159 VanDerWaalsContact CG-OD2 3.24Å; P154-D159 WeakPolarHBondContact CG-OD2 3.24Å; P154-N161 WeakPolarHBondContact CD-O 3.46Å; P154-Y200 HydrophobicContact CB-CD1 4.48Å; P154-Y200 HydrophobicContact CB-CE1 4.43Å; P154-Y200 HydrophobicContact CG-CD1 4.47Å; P154-Y200 HydrophobicContact CG-CE1 4.27Å
155	L	94.2	Very high	94.1	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.073	17%	0.172	C	C	.	.	S	Bend	trans	-62	-30.8	-178.8	-64.4	-176.1	0	0	0	113.1	R102 R103 F121 S199 Y200 M201	R102-L155 WeakPolarHBondContact CG-O 3.4Å; R102-L155 PolarHBondContact N-O 3.46Å; R103-L155 HydrophobicContact CG-CD2 4.01Å; F121-L155 HydrophobicContact CD1-CD2 3.82Å; F121-L155 HydrophobicContact CE1-CD2 4.43Å; L155-S199 PolarHBondContact N-O 2.89Å; L155-Y200 VanDerWaalsContact CD2-C 3.45Å; L155-M201 HydrophobicContact CD2-CB 4.04Å
156	H	93	Very high	93.7	Very high	102 Å²	102	32.3 Å²	32.3	47%	0.472	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-79.7	122.9	176.5	-168.6	-97.4	0	0	0	111	M100 P154 E158 D159	M100-H156 WeakPolarHBondContact O-CA 3.04Å; P154-H156 PolarHBondContact O-N 3.21Å; H156-E158 PolarHBondContact O-N 3.48Å; H156-D159 PolarHBondContact O-N 3.3Å; H156-D159 VanDerWaalsContact O-N 3.09Å
157	A	92	Very high	93.1	Very high	15 Å²	15	32.9 Å²	32.9	12%	0.124	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-29.3	-166.3	0	0	0	0	0	115.2	L99 M100 R102 D159	L99-A157 WeakPolarHBondContact O-CB 3.42Å; M100-A157 PolarHBondContact O-N 3.19Å; R102-A157 HydrophobicContact CG-CB 4.2Å; R102-A157 PolarHBondContact NH2-O 3.44Å; A157-D159 PolarHBondContact O-N 3.21Å
158	E	87.2	Confident	92.6	Very high	69 Å²	69	30.1 Å²	30.1	32%	0.322	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.3	173	-72.6	-83.3	-176.3	0	0	112.8	Y69 H156 H160 R179	Y69-E158 HydrophobicContact CE1-CG 4.3Å; H156-E158 PolarHBondContact O-N 3.48Å; E158-H160 PolarHBondContact O-CD2 2.88Å; E158-H160 PolarHBondContact O-N 3.23Å; E158-H160 PolarHBondContact O-NE2 2.84Å; E158-H160 IonicContact OE2-NE2 3.86Å; E158-R179 IonicContact OE2-NH1 3.1Å; E158-R179 PolarHBondContact OE2-NH1 3.39Å; E158-R179 VanDerWaalsContact OE2-NH1 3.1Å
159	D	91.2	Very high	91.8	Very high	53 Å²	53	34 Å²	34	28%	0.283	19%	0.19	S	C	.	.			trans	-82.7	115.6	165.5	-173.5	1.1	0	0	0	109.5	R102 P154 H156 A157 N161	R102-D159 PolarHBondContact NH2-O 2.96Å; R102-D159 VanDerWaalsContact NH2-O 3.12Å; P154-D159 HydrophobicContact CB-CB 3.81Å; P154-D159 WeakPolarHBondContact CB-OD2 3.34Å; P154-D159 HydrophobicContact CG-CB 4.03Å; P154-D159 VanDerWaalsContact CG-OD2 3.24Å; P154-D159 WeakPolarHBondContact CG-OD2 3.24Å; H156-D159 PolarHBondContact O-N 3.3Å; H156-D159 VanDerWaalsContact O-N 3.09Å; A157-D159 PolarHBondContact O-N 3.21Å; D159-N161 VanDerWaalsContact OD1-CB 3.31Å; D159-N161 WeakPolarHBondContact OD1-CB 3.49Å; D159-N161 PolarHBondContact OD1-N 2.62Å; D159-N161 PolarHBondContact OD1-ND2 3Å
160	H	89.5	Confident	90.8	Very high	43 Å²	43	33.2 Å²	33.2	20%	0.199	19%	0.187	C	C	.	.			trans	-100.6	9.8	-177.8	-57	-72.4	0	0	0	113.2	E158 I162 R179	E158-H160 PolarHBondContact O-CD2 2.88Å; E158-H160 PolarHBondContact O-N 3.23Å; E158-H160 PolarHBondContact O-NE2 2.84Å; E158-H160 IonicContact OE2-NE2 3.86Å; H160-I162 PolarHBondContact O-N 3.49Å; H160-R179 HydrophobicContact CB-CB 4.32Å; H160-R179 PolarHBondContact CD2-NH1 3.5Å; H160-R179 PolarHBondContact NE2-NH1 3.16Å
161	N	93.8	Very high	89.8	Confident	72 Å²	72	36.2 Å²	36.2	39%	0.385	22%	0.218	S	C	.	.			trans	-74.9	64.5	173.9	-66.3	-70	0	0	0	110.7	P154 D159 Y163 L177 R195	P154-N161 WeakPolarHBondContact CD-O 3.46Å; D159-N161 VanDerWaalsContact OD1-CB 3.31Å; D159-N161 WeakPolarHBondContact OD1-CB 3.49Å; D159-N161 PolarHBondContact OD1-N 2.62Å; D159-N161 PolarHBondContact OD1-ND2 3Å; N161-Y163 HydrophobicContact CB-CE1 4.48Å; N161-L177 WeakPolarHBondContact CA-O 3.39Å; N161-R195 VanDerWaalsContact O-CZ 3.31Å; N161-R195 PolarHBondContact O-NH1 2.79Å; N161-R195 PolarHBondContact O-NH2 3.23Å
162	I	95.4	Very high	89.2	Confident	25 Å²	25	35.9 Å²	35.9	13%	0.128	22%	0.217	C	C	.	.			trans	-84.2	125.9	179.1	-63.6	174	0	0	0	108.5	V151 E152 K153 H160 L177	V151-I162 HydrophobicContact CG1-CG2 3.46Å; V151-I162 VanDerWaalsContact CG1-CG2 3.46Å; E152-I162 WeakPolarHBondContact O-CA 3.42Å; K153-I162 HydrophobicContact CB-CG1 4.28Å; K153-I162 HydrophobicContact CD-CD1 4.01Å; K153-I162 HydrophobicContact CD-CG1 4.43Å; K153-I162 HydrophobicContact CG-CD1 4.08Å; K153-I162 HydrophobicContact CG-CG1 3.96Å; K153-I162 HydrophobicContact CG-CG2 3.94Å; H160-I162 PolarHBondContact O-N 3.49Å; I162-L177 HydrophobicContact CB-CB 4.26Å; I162-L177 HydrophobicContact CB-CD2 4.32Å; I162-L177 HydrophobicContact CG2-CD2 4.23Å; I162-L177 WeakPolarHBondContact O-CA 3.39Å; I162-L177 VanDerWaalsContact O-CB 3.27Å; I162-L177 WeakPolarHBondContact O-CB 3.46Å; I162-L177 PolarHBondContact O-N 3.26Å
163	Y	96.5	Very high	88.8	Confident	36 Å²	36	36 Å²	36	14%	0.141	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.2	178.3	-68.9	4.2	0	0	0	109.7	V151 E152 N161 Y165 Q175 R176 R195	V151-Y163 CarbonylContact C-O 3.53Å; V151-Y163 WeakPolarHBondContact CA-O 3.36Å; E152-Y163 PolarHBondContact N-O 2.9Å; E152-Y163 PolarHBondContact O-N 3.27Å; N161-Y163 HydrophobicContact CB-CE1 4.48Å; Y163-Y165 HydrophobicContact CD2-CE2 4.42Å; Y163-Y165 WeakPolarHBondContact CD2-OH 3.15Å; Y163-Q175 CarbonylContact C-O 3.43Å; Y163-Q175 WeakPolarHBondContact CA-O 3.3Å; Y163-R176 HydrophobicContact CD1-CB 3.74Å; Y163-R176 HydrophobicContact CD1-CG 3.63Å; Y163-R176 HydrophobicContact CD2-CG 4.23Å; Y163-R176 HydrophobicContact CE1-CB 3.67Å; Y163-R176 HydrophobicContact CE1-CG 3.62Å; Y163-R176 HydrophobicContact CE2-CG 4.2Å; Y163-R176 HydrophobicContact CG-CG 3.97Å; Y163-R195 HydrophobicContact CD2-CG 4.17Å; Y163-R195 HydrophobicContact CE2-CG 3.78Å
164	I	94.7	Very high	88.6	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.6	173.5	-49.8	179.8	0	0	0	106.6	F150 V151 F166 S174 Q175 L177 F205 A232	F150-I164 WeakPolarHBondContact O-CA 3.34Å; V151-I164 HydrophobicContact CG1-CG1 4.35Å; V151-I164 HydrophobicContact CG2-CG1 4.18Å; V151-I164 HydrophobicContact CG2-CG2 4.36Å; I164-F166 HydrophobicContact CG2-CE1 4.29Å; I164-S174 CarbonylContact O-C 3.35Å; I164-S174 WeakPolarHBondContact O-CA 3.35Å; I164-S174 WeakPolarHBondContact O-CB 3.47Å; I164-Q175 HydrophobicContact CB-CB 4.28Å; I164-Q175 PolarHBondContact N-O 2.9Å; I164-Q175 PolarHBondContact O-N 3.16Å; I164-L177 HydrophobicContact CD1-CD1 3.82Å; I164-L177 HydrophobicContact CD1-CD2 4.43Å; I164-L177 HydrophobicContact CG1-CD1 3.96Å; I164-F205 HydrophobicContact CD1-CD2 4.41Å; I164-F205 HydrophobicContact CD1-CE2 4.11Å; I164-F205 HydrophobicContact CG2-CD2 3.8Å; I164-F205 HydrophobicContact CG2-CE2 4.15Å; I164-A232 HydrophobicContact CD1-CB 3.42Å; I164-A232 VanDerWaalsContact CD1-CB 3.42Å
165	Y	95.3	Very high	88.3	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.1	-178.3	-73.7	-82.8	0	0	0	109.5	P149 F150 E152 Y163 S192 N193 I194	P149-Y165 WeakPolarHBondContact CA-O 3.39Å; F150-Y165 HydrophobicContact CD2-CD2 4.08Å; F150-Y165 AromaticContact CE2-CD2 3.45Å; F150-Y165 HydrophobicContact CE2-CD2 3.45Å; F150-Y165 VanDerWaalsContact CE2-CD2 3.45Å; F150-Y165 HydrophobicContact CE2-CE2 4.32Å; F150-Y165 AromaticContact CE2-CG 3.84Å; F150-Y165 HydrophobicContact CE2-CG 3.84Å; F150-Y165 HydrophobicContact CZ-CD2 4.12Å; F150-Y165 HydrophobicContact CZ-CG 4.08Å; F150-Y165 PolarHBondContact N-O 3.26Å; F150-Y165 PolarHBondContact O-N 3.08Å; E152-Y165 HydrophobicContact CB-CD2 4.45Å; E152-Y165 HydrophobicContact CB-CE2 4.07Å; Y163-Y165 HydrophobicContact CD2-CE2 4.42Å; Y163-Y165 WeakPolarHBondContact CD2-OH 3.15Å; Y165-S192 VanDerWaalsContact CD1-O 3.28Å; Y165-S192 WeakPolarHBondContact CD1-O 3.39Å; Y165-N193 WeakPolarHBondContact CE1-O 3.31Å; Y165-N193 VanDerWaalsContact CZ-O 3.22Å; Y165-N193 PolarHBondContact OH-O 2.96Å; Y165-I194 HydrophobicContact CE2-CG2 4.35Å; Y165-I194 WeakPolarHBondContact OH-CA 3.33Å
166	F	84.8	Confident	88.3	Confident	22 Å²	22	37.1 Å²	37.1	10%	0.096	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-103.1	150.4	-179	-60.6	-66	0	0	0	111.6	K148 I164 G172 G173 Q175 Y188	K148-F166 WeakPolarHBondContact CD-O 3.49Å; I164-F166 HydrophobicContact CG2-CE1 4.29Å; F166-G172 WeakPolarHBondContact CB-O 3.36Å; F166-G173 PolarHBondContact N-O 2.92Å; F166-Q175 HydrophobicContact CE2-CB 3.73Å; F166-Q175 HydrophobicContact CZ-CB 3.81Å; F166-Y188 HydrophobicContact CD2-CD2 4.41Å; F166-Y188 HydrophobicContact CD2-CE2 4.08Å; F166-Y188 HydrophobicContact CE2-CD2 4.16Å; F166-Y188 HydrophobicContact CE2-CE2 4.29Å
167	P	82.5	Confident	88.3	Confident	13 Å²	13	33.5 Å²	33.5	8%	0.084	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-72.3	154.8	176.8	29.8	-33.6	0	0	0	111.2	D137 K148 S169 A170 G171 G172	D137-P167 WeakPolarHBondContact OD2-CB 3.31Å; K148-P167 HydrophobicContact CB-CB 3.94Å; P167-S169 PolarHBondContact O-N 3.04Å; P167-A170 HydrophobicContact CG-CB 4.02Å; P167-A170 WeakPolarHBondContact O-CA 3.23Å; P167-A170 WeakPolarHBondContact O-CB 2.84Å; P167-A170 PolarHBondContact O-N 3.11Å; P167-G171 PolarHBondContact O-N 3Å; P167-G172 PolarHBondContact O-N 2.83Å
168	S	82.6	Confident	88.2	Confident	69 Å²	69	35.5 Å²	35.5	48%	0.483	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-59.7	-32.2	177.3	-58	0	0	0	0	111.3	D137 A170 G171	D137-S168 VanDerWaalsContact CG-N 3.32Å; D137-S168 VanDerWaalsContact OD1-CB 3.24Å; D137-S168 WeakPolarHBondContact OD1-CB 3.28Å; D137-S168 PolarHBondContact OD1-N 2.9Å; D137-S168 PolarHBondContact OD1-OG 2.8Å; D137-S168 PolarHBondContact OD2-N 3.36Å; D137-S168 VanDerWaalsContact OD2-N 3.11Å; S168-A170 PolarHBondContact O-N 3.33Å; S168-A170 VanDerWaalsContact O-N 3.13Å; S168-G171 PolarHBondContact O-N 3.1Å
169	S	77.9	Confident	88.2	Confident	98 Å²	98	39 Å²	39	69%	0.685	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-62.6	-12.3	171	63.5	0	0	0	0	115.3	P167	P167-S169 PolarHBondContact O-N 3.04Å
170	A	72.7	Confident	88	Confident	33 Å²	33	40.6 Å²	40.6	27%	0.273	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-112	7.6	173.8	0	0	0	0	0	113.3	P167 S168 Y1370	P167-A170 HydrophobicContact CG-CB 4.02Å; P167-A170 WeakPolarHBondContact O-CA 3.23Å; P167-A170 WeakPolarHBondContact O-CB 2.84Å; P167-A170 PolarHBondContact O-N 3.11Å; S168-A170 PolarHBondContact O-N 3.33Å; S168-A170 VanDerWaalsContact O-N 3.13Å; A170-Y1370 HydrophobicContact CB-CD1 4.36Å; A170-Y1370 HydrophobicContact CB-CE1 3.55Å
171	G	76.2	Confident	87.8	Confident	62 Å²	62	43.4 Å²	43.4	64%	0.639	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.8	0.8	-175.5	0	0	0	0	0	115.2	P167 S168	P167-G171 PolarHBondContact O-N 3Å; S168-G171 PolarHBondContact O-N 3.1Å
172	G	83	Confident	87.5	Confident	5 Å²	5	42.7 Å²	42.7	5%	0.052	25%	0.254	C	S	.	.			trans	67.7	-153.6	177.6	0	0	0	0	0	114.1	F166 P167 Y188	F166-G172 WeakPolarHBondContact CB-O 3.36Å; P167-G172 PolarHBondContact O-N 2.83Å; G172-Y188 PolarHBondContact O-OH 3.09Å; G172-Y188 VanDerWaalsContact O-OH 3.08Å
173	G	88.6	Confident	86.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.01	27%	0.274	C	S	.	.			trans	75.9	-166.8	179.2	0	0	0	0	0	114.6	F166 F189 H191 S192	F166-G173 PolarHBondContact N-O 2.92Å; G173-F189 WeakPolarHBondContact CA-O 3.44Å; G173-H191 CarbonylContact C-O 3.59Å; G173-S192 PolarHBondContact N-OG 3.49Å
174	S	92.5	Very high	86.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	136.3	-179.2	47.5	0	0	0	0	113.6	I164 F189 H191	I164-S174 CarbonylContact O-C 3.35Å; I164-S174 WeakPolarHBondContact O-CA 3.35Å; I164-S174 WeakPolarHBondContact O-CB 3.47Å; S174-F189 PolarHBondContact N-O 2.98Å; S174-F189 PolarHBondContact O-N 2.93Å; S174-H191 WeakPolarHBondContact CB-O 3.27Å; S174-H191 PolarHBondContact N-O 2.95Å; S174-H191 PolarHBondContact OG-O 2.96Å
175	Q	90.2	Very high	86.2	Confident	7 Å²	7	49.3 Å²	49.3	3%	0.033	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.3	164.6	-162.1	70.7	-1.9	0	0	109	Y163 I164 F166 L177 S186 Y188	Y163-Q175 CarbonylContact C-O 3.43Å; Y163-Q175 WeakPolarHBondContact CA-O 3.3Å; I164-Q175 HydrophobicContact CB-CB 4.28Å; I164-Q175 PolarHBondContact N-O 2.9Å; I164-Q175 PolarHBondContact O-N 3.16Å; F166-Q175 HydrophobicContact CE2-CB 3.73Å; F166-Q175 HydrophobicContact CZ-CB 3.81Å; Q175-L177 HydrophobicContact CB-CD1 4.32Å; Q175-L177 HydrophobicContact CG-CD1 3.97Å; Q175-S186 PolarHBondContact NE2-OG 2.48Å; Q175-Y188 VanDerWaalsContact OE1-CB 3.27Å
176	R	94.2	Very high	85.9	Confident	48 Å²	48	49.2 Å²	49.2	18%	0.181	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	107.9	179.7	-58.1	-173.2	-178	176.9	-4.2	109.1	Y163 F178 S186 K187 F189	Y163-R176 HydrophobicContact CD1-CB 3.74Å; Y163-R176 HydrophobicContact CD1-CG 3.63Å; Y163-R176 HydrophobicContact CD2-CG 4.23Å; Y163-R176 HydrophobicContact CE1-CB 3.67Å; Y163-R176 HydrophobicContact CE1-CG 3.62Å; Y163-R176 HydrophobicContact CE2-CG 4.2Å; Y163-R176 HydrophobicContact CG-CG 3.97Å; R176-F178 WeakPolarHBondContact O-CD1 3.5Å; R176-S186 CarbonylContact O-C 3.56Å; R176-S186 WeakPolarHBondContact O-CA 3.17Å; R176-S186 VanDerWaalsContact O-CB 3.27Å; R176-S186 WeakPolarHBondContact O-CB 3.49Å; R176-K187 PolarHBondContact N-O 2.81Å; R176-K187 PolarHBondContact O-N 3.45Å; R176-F189 HydrophobicContact CB-CD2 3.98Å; R176-F189 HydrophobicContact CB-CE2 3.97Å; R176-F189 VanDerWaalsContact CD-CD2 3.42Å; R176-F189 HydrophobicContact CG-CD2 3.68Å; R176-F189 HydrophobicContact CG-CE2 4.11Å; R176-F189 HydrophobicContact CG-CG 4.47Å
177	L	93.2	Very high	86.1	Confident	25 Å²	25	53 Å²	53	13%	0.131	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	151.7	176.6	-69.3	55.2	0	0	0	109.4	N161 I162 I164 Q175 S185 P231	N161-L177 WeakPolarHBondContact CA-O 3.39Å; I162-L177 HydrophobicContact CB-CB 4.26Å; I162-L177 HydrophobicContact CB-CD2 4.32Å; I162-L177 HydrophobicContact CG2-CD2 4.23Å; I162-L177 WeakPolarHBondContact O-CA 3.39Å; I162-L177 VanDerWaalsContact O-CB 3.27Å; I162-L177 WeakPolarHBondContact O-CB 3.46Å; I162-L177 PolarHBondContact O-N 3.26Å; I164-L177 HydrophobicContact CD1-CD1 3.82Å; I164-L177 HydrophobicContact CD1-CD2 4.43Å; I164-L177 HydrophobicContact CG1-CD1 3.96Å; Q175-L177 HydrophobicContact CB-CD1 4.32Å; Q175-L177 HydrophobicContact CG-CD1 3.97Å; L177-S185 WeakPolarHBondContact CA-O 3.39Å; L177-P231 HydrophobicContact CD2-CB 3.8Å; L177-P231 HydrophobicContact CG-CB 3.85Å
178	F	91.2	Very high	86.4	Confident	58 Å²	58	57.2 Å²	57.2	25%	0.254	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	162	177.9	46.1	-98.4	0	0	0	111	R176 K180 V181 R184 S185 K187	R176-F178 WeakPolarHBondContact O-CD1 3.5Å; F178-K180 PolarHBondContact O-N 2.65Å; F178-V181 HydrophobicContact CD2-CG2 4.37Å; F178-R184 HydrophobicContact CE2-CB 4.03Å; F178-R184 HydrophobicContact CZ-CB 3.92Å; F178-S185 PolarHBondContact N-O 3.36Å; F178-K187 HydrophobicContact CE1-CB 4.07Å
179	R	86.7	Confident	86.7	Confident	143 Å²	143	56.8 Å²	56.8	54%	0.54	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	121.4	175	-162.5	170.1	-178.9	131.1	-25.5	108.8	E158 H160 V181	E158-R179 IonicContact OE2-NH1 3.1Å; E158-R179 PolarHBondContact OE2-NH1 3.39Å; E158-R179 VanDerWaalsContact OE2-NH1 3.1Å; H160-R179 HydrophobicContact CB-CB 4.32Å; H160-R179 PolarHBondContact CD2-NH1 3.5Å; H160-R179 PolarHBondContact NE2-NH1 3.16Å; R179-V181 WeakPolarHBondContact O-CG2 3.39Å; R179-V181 PolarHBondContact O-N 2.94Å
180	K	87	Confident	87.2	Confident	86 Å²	86	56.7 Å²	56.7	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.5	125.8	-164.3	-78.6	163.1	174.5	162.8	0	114.6	F178 R184 V237 E245	F178-K180 PolarHBondContact O-N 2.65Å; K180-R184 WeakPolarHBondContact CA-O 3.36Å; K180-V237 HydrophobicContact CD-CG2 4.25Å; K180-V237 HydrophobicContact CG-CG2 4.16Å; K180-E245 IonicContact NZ-OE1 2.74Å; K180-E245 PolarHBondContact NZ-OE1 2.84Å; K180-E245 IonicContact NZ-OE2 2.69Å; K180-E245 PolarHBondContact NZ-OE2 2.89Å
181	V	86	Confident	88	Confident	102 Å²	102	60.5 Å²	60.5	62%	0.618	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.9	174.9	-174.7	0	0	0	0	108.8	F178 R179 N183 R184	F178-V181 HydrophobicContact CD2-CG2 4.37Å; R179-V181 WeakPolarHBondContact O-CG2 3.39Å; R179-V181 PolarHBondContact O-N 2.94Å; V181-N183 PolarHBondContact O-N 2.93Å; V181-R184 PolarHBondContact N-O 3.31Å; V181-R184 PolarHBondContact O-N 2.75Å
182	G	85.9	Confident	88.7	Confident	56 Å²	56	59 Å²	59	58%	0.577	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-118.9	-179.2	0	0	0	0	0	112.6	R239	G182-R239 PolarHBondContact O-NH2 3.4Å
183	N	84.3	Confident	89.2	Confident	101 Å²	101	63.8 Å²	63.8	54%	0.54	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	10.2	176.9	65.6	-7.2	0	0	0	114.1	V181 V237	V181-N183 PolarHBondContact O-N 2.93Å; N183-V237 PolarHBondContact O-N 3.1Å
184	R	87.1	Confident	89.5	Confident	97 Å²	97	64.6 Å²	64.6	37%	0.366	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.5	-179.3	-60.6	-163.5	72.9	121.2	12.5	114.7	F178 K180 V181 S186 D234 G235	F178-R184 HydrophobicContact CE2-CB 4.03Å; F178-R184 HydrophobicContact CZ-CB 3.92Å; K180-R184 WeakPolarHBondContact CA-O 3.36Å; V181-R184 PolarHBondContact N-O 3.31Å; V181-R184 PolarHBondContact O-N 2.75Å; R184-S186 PolarHBondContact NE-O 3Å; R184-S186 PolarHBondContact NH2-O 3.29Å; R184-D234 PolarHBondContact NH2-O 2.87Å; R184-G235 CarbonylContact C-O 3.55Å; R184-G235 WeakPolarHBondContact CA-O 3.15Å
185	S	87.9	Confident	89.6	Confident	8 Å²	8	66.3 Å²	66.3	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	-16.8	169.8	52.3	0	0	0	0	113.4	L177 F178 G235	L177-S185 WeakPolarHBondContact CA-O 3.39Å; F178-S185 PolarHBondContact N-O 3.36Å; S185-G235 PolarHBondContact N-O 3.48Å; S185-G235 PolarHBondContact OG-O 3.48Å
186	S	90.3	Very high	89.6	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	170.7	173.6	69	0	0	0	0	112.1	Q175 R176 R184 P231 G235	Q175-S186 PolarHBondContact NE2-OG 2.48Å; R176-S186 CarbonylContact O-C 3.56Å; R176-S186 WeakPolarHBondContact O-CA 3.17Å; R176-S186 VanDerWaalsContact O-CB 3.27Å; R176-S186 WeakPolarHBondContact O-CB 3.49Å; R184-S186 PolarHBondContact NE-O 3Å; R184-S186 PolarHBondContact NH2-O 3.29Å; S186-P231 WeakPolarHBondContact CB-O 3.38Å; S186-P231 PolarHBondContact OG-O 3.1Å; S186-G235 WeakPolarHBondContact OG-CA 3.28Å; S186-G235 PolarHBondContact OG-N 2.63Å
187	K	89.1	Confident	89.3	Confident	101 Å²	101	76 Å²	76	44%	0.439	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	140.7	174	-179.6	-178.5	173.9	-173.8	0	110.5	R176 F178 F189	R176-K187 PolarHBondContact N-O 2.81Å; R176-K187 PolarHBondContact O-N 3.45Å; F178-K187 HydrophobicContact CE1-CB 4.07Å; K187-F189 HydrophobicContact CB-CE2 3.9Å; K187-F189 HydrophobicContact CD-CE2 3.94Å; K187-F189 HydrophobicContact CD-CZ 3.89Å; K187-F189 HydrophobicContact CG-CD2 4.39Å; K187-F189 HydrophobicContact CG-CE2 3.88Å; K187-F189 HydrophobicContact CG-CZ 4.35Å; K187-F189 WeakPolarHBondContact O-CD2 3.09Å
188	Y	88.5	Confident	89.2	Confident	102 Å²	102	76.2 Å²	76.2	40%	0.4	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.3	172.4	-179.3	-103.9	0	0	0	111.8	F166 G172 Q175	F166-Y188 HydrophobicContact CD2-CD2 4.41Å; F166-Y188 HydrophobicContact CD2-CE2 4.08Å; F166-Y188 HydrophobicContact CE2-CD2 4.16Å; F166-Y188 HydrophobicContact CE2-CE2 4.29Å; G172-Y188 PolarHBondContact O-OH 3.09Å; G172-Y188 VanDerWaalsContact O-OH 3.08Å; Q175-Y188 VanDerWaalsContact OE1-CB 3.27Å
189	F	88.6	Confident	89.3	Confident	60 Å²	60	74.5 Å²	74.5	26%	0.263	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.1	171.5	-68.7	-102.6	0	0	0	109.6	G173 S174 R176 K187 H191	G173-F189 WeakPolarHBondContact CA-O 3.44Å; S174-F189 PolarHBondContact N-O 2.98Å; S174-F189 PolarHBondContact O-N 2.93Å; R176-F189 HydrophobicContact CB-CD2 3.98Å; R176-F189 HydrophobicContact CB-CE2 3.97Å; R176-F189 VanDerWaalsContact CD-CD2 3.42Å; R176-F189 HydrophobicContact CG-CD2 3.68Å; R176-F189 HydrophobicContact CG-CE2 4.11Å; R176-F189 HydrophobicContact CG-CG 4.47Å; K187-F189 HydrophobicContact CB-CE2 3.9Å; K187-F189 HydrophobicContact CD-CE2 3.94Å; K187-F189 HydrophobicContact CD-CZ 3.89Å; K187-F189 HydrophobicContact CG-CD2 4.39Å; K187-F189 HydrophobicContact CG-CE2 3.88Å; K187-F189 HydrophobicContact CG-CZ 4.35Å; K187-F189 WeakPolarHBondContact O-CD2 3.09Å; F189-H191 PolarHBondContact O-N 3.13Å
190	P	87.6	Confident	89.7	Confident	96 Å²	96	68.7 Å²	68.7	62%	0.623	37%	0.371	S	S	*	.	S	Bend	trans	-75.1	13.4	-176.5	32.6	-38	0	0	0	114.5
191	H	89.3	Confident	90.1	Very high	113 Å²	113	64.7 Å²	64.7	52%	0.523	35%	0.354	S	S	.	.			trans	-92.6	119.5	-178.4	-66.1	48.9	0	0	0	109.9	G173 S174 F189	G173-H191 CarbonylContact C-O 3.59Å; S174-H191 WeakPolarHBondContact CB-O 3.27Å; S174-H191 PolarHBondContact N-O 2.95Å; S174-H191 PolarHBondContact OG-O 2.96Å; F189-H191 PolarHBondContact O-N 3.13Å
192	S	91.2	Very high	90.6	Very high	31 Å²	31	59.8 Å²	59.8	22%	0.217	32%	0.324	C	S	.	.			trans	-92.1	-3.2	-174.2	-56.1	0	0	0	0	115.1	K148 Y165 G173	K148-S192 PolarHBondContact NZ-O 3.35Å; Y165-S192 VanDerWaalsContact CD1-O 3.28Å; Y165-S192 WeakPolarHBondContact CD1-O 3.39Å; G173-S192 PolarHBondContact N-OG 3.49Å
193	N	93.2	Very high	91.1	Very high	105 Å²	105	57.4 Å²	57.4	56%	0.561	30%	0.298	S	S	*	.	S	Bend	trans	-101.8	143.1	-168.1	-58.3	51.7	0	0	0	113.4	E134 Y165	E134-N193 VanDerWaalsContact OE1-CA 3.24Å; E134-N193 WeakPolarHBondContact OE1-CA 3.24Å; Y165-N193 WeakPolarHBondContact CE1-O 3.31Å; Y165-N193 VanDerWaalsContact CZ-O 3.22Å; Y165-N193 PolarHBondContact OH-O 2.96Å
194	I	95.3	Very high	91.6	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.087	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-62.6	160.6	-179.7	64.8	176.1	0	0	0	113.8	V132 E134 I139 F150 Y165 Y202	V132-I194 HydrophobicContact CB-CD1 4.28Å; V132-I194 HydrophobicContact CG1-CD1 3.7Å; E134-I194 PolarHBondContact OE1-N 2.73Å; I139-I194 HydrophobicContact CD1-CG2 4.42Å; I139-I194 HydrophobicContact CG2-CD1 4.4Å; I139-I194 HydrophobicContact CG2-CG2 3.92Å; F150-I194 HydrophobicContact CE2-CG2 3.88Å; F150-I194 HydrophobicContact CZ-CG2 3.75Å; Y165-I194 HydrophobicContact CE2-CG2 4.35Å; Y165-I194 WeakPolarHBondContact OH-CA 3.33Å; I194-Y202 HydrophobicContact CB-CE1 4.16Å; I194-Y202 HydrophobicContact CG2-CE1 3.79Å
195	R	94.9	Very high	91.9	Very high	37 Å²	37	54.4 Å²	54.4	14%	0.14	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-78.6	124.7	171.3	-77.7	175.9	-71.3	-171.9	-6.7	110.3	R124 E152 N161 Y163 Y200	R124-R195 PolarHBondContact NH1-O 2.66Å; R124-R195 PolarHBondContact NH2-O 3.21Å; E152-R195 PolarHBondContact O-NH2 3Å; E152-R195 PolarHBondContact OE1-N 2.97Å; E152-R195 IonicContact OE2-CZ 3.16Å; E152-R195 IonicContact OE2-NE 2.69Å; E152-R195 PolarHBondContact OE2-NE 2.94Å; E152-R195 IonicContact OE2-NH2 2.77Å; E152-R195 PolarHBondContact OE2-NH2 3.27Å; N161-R195 VanDerWaalsContact O-CZ 3.31Å; N161-R195 PolarHBondContact O-NH1 2.79Å; N161-R195 PolarHBondContact O-NH2 3.23Å; Y163-R195 HydrophobicContact CD2-CG 4.17Å; Y163-R195 HydrophobicContact CE2-CG 3.78Å; R195-Y200 HydrophobicContact CB-CD2 4.29Å; R195-Y200 HydrophobicContact CB-CE1 4.42Å; R195-Y200 HydrophobicContact CB-CE2 3.47Å; R195-Y200 VanDerWaalsContact CB-CE2 3.47Å; R195-Y200 WeakPolarHBondContact CD-OH 3.38Å; R195-Y200 WeakPolarHBondContact O-CE2 3.37Å
196	T	90	Very high	92	Very high	107 Å²	107	54.5 Å²	54.5	66%	0.656	28%	0.284	S	S	*	.			trans	-92.8	-31.1	177.4	51.5	0	0	0	0	113.5	R124 G198	R124-T196 WeakPolarHBondContact CD-O 3.16Å; R124-T196 PolarHBondContact NH1-O 3.26Å; T196-G198 PolarHBondContact O-N 3.49Å
197	N	88.5	Confident	91.6	Very high	150 Å²	150	58 Å²	58	80%	0.802	31%	0.306	S	S	*	.	S	Bend	trans	-87.1	102	179.1	-176.1	7.2	0	0	0	111.2	Y200	N197-Y200 PolarHBondContact O-OH 3.06Å
198	G	90	Very high	91.3	Very high	30 Å²	30	54.8 Å²	54.8	31%	0.309	30%	0.295	S	S	.	.	S	Bend	trans	120.1	176.8	-178.5	0	0	0	0	0	113	R124 T196	R124-G198 WeakPolarHBondContact CD-O 3.12Å; R124-G198 PolarHBondContact NH1-O 3.2Å; T196-G198 PolarHBondContact O-N 3.49Å
199	S	93.7	Very high	90.6	Very high	22 Å²	22	56.9 Å²	56.9	15%	0.154	31%	0.313	C	S	.	.			trans	-109.5	137.2	-179.4	-59.1	0	0	0	0	111	V122 D123 R124 L155	V122-S199 WeakPolarHBondContact O-CA 3.25Å; V122-S199 WeakPolarHBondContact O-CB 3.48Å; D123-S199 WeakPolarHBondContact OD1-CB 3.21Å; D123-S199 PolarHBondContact OD1-OG 3Å; R124-S199 PolarHBondContact N-OG 3.07Å; L155-S199 PolarHBondContact N-O 2.89Å
200	Y	95.7	Very high	90	Very high	22 Å²	22	54.8 Å²	54.8	9%	0.086	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155.6	-170.6	-59.4	-75	0	0	0	113.2	V122 E152 K153 P154 L155 R195 N197	V122-Y200 PolarHBondContact N-O 2.96Å; V122-Y200 PolarHBondContact O-N 3.45Å; E152-Y200 HydrophobicContact CG-CD1 3.92Å; E152-Y200 HydrophobicContact CG-CG 3.84Å; K153-Y200 WeakPolarHBondContact O-CA 3.48Å; P154-Y200 HydrophobicContact CB-CD1 4.48Å; P154-Y200 HydrophobicContact CB-CE1 4.43Å; P154-Y200 HydrophobicContact CG-CD1 4.47Å; P154-Y200 HydrophobicContact CG-CE1 4.27Å; L155-Y200 VanDerWaalsContact CD2-C 3.45Å; R195-Y200 HydrophobicContact CB-CD2 4.29Å; R195-Y200 HydrophobicContact CB-CE1 4.42Å; R195-Y200 HydrophobicContact CB-CE2 3.47Å; R195-Y200 VanDerWaalsContact CB-CE2 3.47Å; R195-Y200 WeakPolarHBondContact CD-OH 3.38Å; R195-Y200 WeakPolarHBondContact O-CE2 3.37Å; N197-Y200 PolarHBondContact O-OH 3.06Å
201	M	95.3	Very high	89.7	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.9	160.5	-178.3	-179.3	71.5	0	0	108.3	Y106 A120 F121 E152 K153 L155 E203	Y106-M201 HydrophobicContact CD1-CE 4.21Å; Y106-M201 HydrophobicContact CD1-SD 3.4Å; Y106-M201 WeakPolarHBondContact CD1-SD 3.47Å; Y106-M201 HydrophobicContact CE1-CE 3.53Å; Y106-M201 HydrophobicContact CE1-SD 3.31Å; Y106-M201 WeakPolarHBondContact CE1-SD 3.44Å; Y106-M201 HydrophobicContact CG-SD 4.38Å; A120-M201 WeakPolarHBondContact O-CA 3.33Å; F121-M201 HydrophobicContact CD1-CB 3.72Å; F121-M201 HydrophobicContact CD1-CG 3.68Å; F121-M201 HydrophobicContact CD1-SD 4.25Å; F121-M201 HydrophobicContact CE1-CB 3.79Å; F121-M201 HydrophobicContact CE1-CG 3.46Å; F121-M201 VanDerWaalsContact CE1-CG 3.46Å; F121-M201 HydrophobicContact CE1-SD 3.41Å; F121-M201 WeakPolarHBondContact CE1-SD 3.38Å; F121-M201 HydrophobicContact CZ-CG 4.48Å; F121-M201 HydrophobicContact CZ-SD 4.08Å; E152-M201 CarbonylContact C-O 3.11Å; E152-M201 WeakPolarHBondContact CA-O 3.38Å; K153-M201 HydrophobicContact CB-CE 4.12Å; K153-M201 HydrophobicContact CD-CE 3.63Å; K153-M201 HydrophobicContact CG-CE 4.08Å; K153-M201 PolarHBondContact N-O 2.83Å; K153-M201 PolarHBondContact O-N 3.38Å; L155-M201 HydrophobicContact CD2-CB 4.04Å; M201-E203 WeakPolarHBondContact CE-OE2 3.35Å
202	Y	96.6	Very high	89.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.3	169.4	-62.6	-87.3	0	0	0	108.4	Y119 A120 V122 R124 I139 I141 F150 V151 E152 I194	Y119-Y202 CarbonylContact C-O 3.55Å; Y119-Y202 WeakPolarHBondContact CA-O 3.09Å; A120-Y202 PolarHBondContact N-O 3.17Å; A120-Y202 PolarHBondContact O-N 3.5Å; V122-Y202 HydrophobicContact CB-CD2 4.4Å; V122-Y202 HydrophobicContact CB-CE2 4Å; V122-Y202 HydrophobicContact CG2-CD2 3.77Å; V122-Y202 HydrophobicContact CG2-CE2 3.69Å; R124-Y202 PolarHBondContact NH2-OH 3.16Å; I139-Y202 HydrophobicContact CD1-CD1 3.29Å; I139-Y202 HydrophobicContact CD1-CD2 4.25Å; I139-Y202 HydrophobicContact CD1-CE1 3.76Å; I139-Y202 HydrophobicContact CD1-CG 3.59Å; I141-Y202 HydrophobicContact CD1-CD2 3.47Å; I141-Y202 VanDerWaalsContact CD1-CD2 3.47Å; I141-Y202 HydrophobicContact CD1-CE2 4.31Å; I141-Y202 HydrophobicContact CD1-CG 3.78Å; F150-Y202 HydrophobicContact CD2-CD1 4.16Å; F150-Y202 AromaticContact CE2-CD1 3.96Å; F150-Y202 HydrophobicContact CE2-CD1 3.96Å; F150-Y202 HydrophobicContact CE2-CE1 4.28Å; V151-Y202 CarbonylContact O-C 3.54Å; V151-Y202 WeakPolarHBondContact O-CA 3.42Å; E152-Y202 HydrophobicContact CB-CD1 3.9Å; E152-Y202 HydrophobicContact CB-CE1 3.73Å; E152-Y202 HydrophobicContact CG-CD1 3.97Å; E152-Y202 HydrophobicContact CG-CE1 3.39Å; E152-Y202 WeakPolarHBondContact OE1-CE1 3.19Å; E152-Y202 VanDerWaalsContact OE1-CZ 3.29Å; E152-Y202 PolarHBondContact OE1-OH 3.36Å; I194-Y202 HydrophobicContact CB-CE1 4.16Å; I194-Y202 HydrophobicContact CG2-CE1 3.79Å
203	E	95.5	Very high	89.6	Confident	5 Å²	5	45.2 Å²	45.2	2%	0.023	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	156.1	177.3	70.3	177	-148.3	0	0	112.6	Y106 P117 R118 F150 V151 K153 M201	Y106-E203 PolarHBondContact OH-OE2 3.4Å; P117-E203 HydrophobicContact CB-CB 4.29Å; R118-E203 CarbonylContact O-C 3.58Å; R118-E203 WeakPolarHBondContact O-CA 3.13Å; R118-E203 WeakPolarHBondContact O-CB 3.26Å; F150-E203 WeakPolarHBondContact CA-O 3.47Å; F150-E203 WeakPolarHBondContact CB-O 3.25Å; V151-E203 HydrophobicContact CB-CG 3.75Å; V151-E203 HydrophobicContact CG1-CG 4.39Å; V151-E203 HydrophobicContact CG2-CG 4.44Å; V151-E203 PolarHBondContact N-O 3.26Å; V151-E203 PolarHBondContact O-N 3.35Å; K153-E203 VanDerWaalsContact CE-CD 3.5Å; K153-E203 WeakPolarHBondContact CE-OE1 3.35Å; K153-E203 WeakPolarHBondContact CE-OE2 3.36Å; K153-E203 IonicContact NZ-OE1 2.63Å; K153-E203 PolarHBondContact NZ-OE1 3.27Å; K153-E203 IonicContact NZ-OE2 2.66Å; K153-E203 PolarHBondContact NZ-OE2 3.38Å; M201-E203 WeakPolarHBondContact CE-OE2 3.35Å
204	E	94.4	Very high	89.6	Confident	76 Å²	76	41 Å²	41	36%	0.355	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.4	178.2	-166	166.8	121	0	0	111.6	R118 M206	R118-E204 HydrophobicContact CB-CB 4.27Å; R118-E204 IonicContact CZ-OE2 2.92Å; R118-E204 VanDerWaalsContact CZ-OE2 3.28Å; R118-E204 IonicContact NE-OE2 3.86Å; R118-E204 PolarHBondContact NE-OE2 3.38Å; R118-E204 IonicContact NH2-OE2 2.64Å; R118-E204 PolarHBondContact NH2-OE2 3.27Å; R118-E204 PolarHBondContact O-N 3.08Å; E204-M206 PolarHBondContact O-N 2.81Å
205	F	93.6	Very high	89.7	Confident	59 Å²	59	40.2 Å²	40.2	26%	0.259	23%	0.227	S	C	.	.			trans	-75.5	108.6	178.9	178.7	-94.2	0	0	0	110.7	P149 V151 I164 P207 A232	P149-F205 HydrophobicContact CB-CB 3.82Å; P149-F205 HydrophobicContact CB-CD1 4.08Å; P149-F205 HydrophobicContact CB-CG 3.96Å; P149-F205 HydrophobicContact CG-CB 3.98Å; P149-F205 HydrophobicContact CG-CD1 3.75Å; P149-F205 HydrophobicContact CG-CG 4.08Å; P149-F205 WeakPolarHBondContact O-CB 3.05Å; P149-F205 PolarHBondContact O-N 2.78Å; V151-F205 HydrophobicContact CG2-CB 4.26Å; V151-F205 HydrophobicContact CG2-CD2 3.88Å; I164-F205 HydrophobicContact CD1-CD2 4.41Å; I164-F205 HydrophobicContact CD1-CE2 4.11Å; I164-F205 HydrophobicContact CG2-CD2 3.8Å; I164-F205 HydrophobicContact CG2-CE2 4.15Å; F205-P207 WeakPolarHBondContact O-CD 3.31Å; F205-A232 HydrophobicContact CE2-CB 3.95Å; F205-A232 HydrophobicContact CZ-CB 4.37Å
206	M	91.2	Very high	89.7	Confident	11 Å²	11	39.1 Å²	39.1	5%	0.054	22%	0.223	C	C	.	.			trans	-76.1	119.8	179.6	-54	-52.2	-54.9	0	0	111.4	P117 E204 T208 L277 A279 Y284	P117-M206 HydrophobicContact CB-CG 3.98Å; P117-M206 HydrophobicContact CB-SD 3.94Å; P117-M206 HydrophobicContact CG-CG 3.85Å; P117-M206 HydrophobicContact CG-SD 4.4Å; E204-M206 PolarHBondContact O-N 2.81Å; M206-T208 PolarHBondContact O-N 3.32Å; M206-T208 VanDerWaalsContact O-N 3.14Å; M206-L277 HydrophobicContact CB-CB 4.26Å; M206-L277 HydrophobicContact CB-CD1 3.92Å; M206-L277 HydrophobicContact CG-CD1 4.01Å; M206-A279 HydrophobicContact CB-CB 3.92Å; M206-A279 HydrophobicContact CE-CB 3.96Å; M206-Y284 HydrophobicContact CE-CD2 3.78Å; M206-Y284 HydrophobicContact CE-CE1 4.35Å; M206-Y284 HydrophobicContact CE-CE2 3.53Å; M206-Y284 HydrophobicContact CE-CG 4.3Å
207	P	81.2	Confident	90	Very high	72 Å²	72	34 Å²	34	47%	0.468	19%	0.192	S	C	.	.			trans	-74.5	105.1	177.9	29.6	-33.6	0	0	0	110.9	F205 A279	F205-P207 WeakPolarHBondContact O-CD 3.31Å; P207-A279 VanDerWaalsContact O-CB 3.24Å; P207-A279 WeakPolarHBondContact O-CB 3.32Å
208	T	83.1	Confident	90.1	Very high	35 Å²	35	26.9 Å²	26.9	22%	0.215	15%	0.154	C	C	.	.			trans	-102.1	170	172.9	80.2	0	0	0	0	111.9	M206 G210 T211 L277 R278	M206-T208 PolarHBondContact O-N 3.32Å; M206-T208 VanDerWaalsContact O-N 3.14Å; T208-G210 PolarHBondContact O-N 3.27Å; T208-G210 PolarHBondContact OG1-N 2.99Å; T208-T211 PolarHBondContact OG1-N 2.86Å; T208-T211 PolarHBondContact OG1-O 3.47Å; T208-T211 VanDerWaalsContact OG1-O 3.05Å; T208-L277 HydrophobicContact CG2-CB 3.77Å; T208-L277 HydrophobicContact CG2-CD2 4.02Å; T208-L277 HydrophobicContact CG2-CG 4.4Å; T208-R278 WeakPolarHBondContact CA-O 3.32Å; T208-R278 WeakPolarHBondContact CB-O 3.3Å; T208-R278 WeakPolarHBondContact CG2-O 3.28Å
209	D	73.7	Confident	90	Very high	145 Å²	145	26 Å²	26	78%	0.775	14%	0.143	S	C	*	.	S	Bend	trans	-69	35.1	172	-56.1	-46.3	0	0	0	113.3	T211	D209-T211 VanDerWaalsContact C-N 3.27Å; D209-T211 PolarHBondContact O-N 3.43Å
210	G	75.7	Confident	89.3	Confident	16 Å²	16	27.6 Å²	27.6	17%	0.165	15%	0.15	C	C	.	.	S	Bend	trans	72.7	11.5	179.6	0	0	0	0	0	115.4	T208 S230 L233	T208-G210 PolarHBondContact O-N 3.27Å; T208-G210 PolarHBondContact OG1-N 2.99Å; G210-S230 WeakPolarHBondContact O-CB 3.37Å; G210-S230 PolarHBondContact O-N 3.03Å; G210-L233 WeakPolarHBondContact O-CD1 3.37Å
211	T	81.7	Confident	88.4	Confident	21 Å²	21	28.2 Å²	28.2	13%	0.129	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.1	-179.3	55.3	0	0	0	0	112.7	T208 D209 R228	T208-T211 PolarHBondContact OG1-N 2.86Å; T208-T211 PolarHBondContact OG1-O 3.47Å; T208-T211 VanDerWaalsContact OG1-O 3.05Å; D209-T211 VanDerWaalsContact C-N 3.27Å; D209-T211 PolarHBondContact O-N 3.43Å; T211-R228 CarbonylContact C-O 3.46Å; T211-R228 VanDerWaalsContact CA-O 3.25Å; T211-R228 WeakPolarHBondContact CA-O 3.34Å; T211-R228 WeakPolarHBondContact CB-O 3.47Å
212	D	86.3	Confident	88	Confident	15 Å²	15	28.4 Å²	28.4	8%	0.08	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.7	168.1	-46.4	-18.7	0	0	0	108.4	K214 A227 R228 S230 P231	D212-K214 HydrophobicContact CB-CD 4.39Å; D212-K214 IonicContact OD2-NZ 3.97Å; D212-K214 PolarHBondContact OD2-NZ 2.98Å; D212-A227 CarbonylContact O-C 3.59Å; D212-A227 VanDerWaalsContact O-CA 3.26Å; D212-A227 WeakPolarHBondContact O-CA 3.4Å; D212-R228 PolarHBondContact N-O 3.38Å; D212-R228 PolarHBondContact O-N 3.19Å; D212-S230 WeakPolarHBondContact OD1-CA 3.41Å; D212-S230 WeakPolarHBondContact OD1-CB 3.16Å; D212-S230 PolarHBondContact OD1-OG 2.9Å; D212-P231 WeakPolarHBondContact OD2-CD 3.36Å
213	V	91.9	Very high	87.7	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.024	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.2	171.9	175.6	0	0	0	0	109.2	V215 A225 V250 L252 L276 R278	V213-V215 HydrophobicContact CG1-CG2 4.02Å; V213-A225 HydrophobicContact CG1-CB 4.17Å; V213-V250 HydrophobicContact CG1-CB 4.3Å; V213-V250 HydrophobicContact CG1-CG1 3.76Å; V213-V250 HydrophobicContact CG1-CG2 4.45Å; V213-V250 HydrophobicContact CG2-CG1 4.24Å; V213-V250 HydrophobicContact CG2-CG2 4.27Å; V213-L252 HydrophobicContact CG1-CD2 4.18Å; V213-L276 HydrophobicContact CB-CB 3.98Å; V213-L276 HydrophobicContact CG1-CB 4.33Å; V213-L276 PolarHBondContact N-O 3.24Å; V213-L276 PolarHBondContact O-N 3.49Å; V213-R278 HydrophobicContact CG2-CG 4.48Å
214	K	94.1	Very high	87.4	Confident	16 Å²	16	30 Å²	30	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.2	176	-49	-59.9	176.6	-162.7	0	108.9	D212 Y216 A225 E226 R228 D275	D212-K214 HydrophobicContact CB-CD 4.39Å; D212-K214 IonicContact OD2-NZ 3.97Å; D212-K214 PolarHBondContact OD2-NZ 2.98Å; K214-Y216 HydrophobicContact CB-CE2 3.8Å; K214-A225 VanDerWaalsContact O-CA 3.3Å; K214-A225 WeakPolarHBondContact O-CA 3.28Å; K214-E226 HydrophobicContact CB-CG 4.4Å; K214-E226 WeakPolarHBondContact CB-O 3.03Å; K214-E226 PolarHBondContact N-O 2.71Å; K214-E226 PolarHBondContact O-N 2.7Å; K214-R228 HydrophobicContact CG-CG 4.28Å; K214-D275 WeakPolarHBondContact CD-OD1 3.45Å; K214-D275 IonicContact NZ-OD1 2.69Å; K214-D275 IonicContact NZ-OD2 3.84Å; K214-D275 PolarHBondContact NZ-OD2 3.05Å
215	V	96	Very high	87.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.5	-177.9	-174.3	0	0	0	0	110.5	V213 A223 H224 A225 L252 A260 G273 F274 L276	V213-V215 HydrophobicContact CG1-CG2 4.02Å; V215-A223 HydrophobicContact CG1-CB 4.09Å; V215-H224 CarbonylContact C-O 3.58Å; V215-H224 WeakPolarHBondContact CA-O 3.13Å; V215-A225 HydrophobicContact CG2-CB 4.23Å; V215-L252 HydrophobicContact CG1-CD1 3.8Å; V215-L252 HydrophobicContact CG2-CD1 4.24Å; V215-L252 HydrophobicContact CG2-CD2 3.98Å; V215-A260 HydrophobicContact CG1-CB 4.23Å; V215-G273 CarbonylContact O-C 3.56Å; V215-G273 VanDerWaalsContact O-CA 3.24Å; V215-G273 WeakPolarHBondContact O-CA 3.14Å; V215-F274 HydrophobicContact CB-CD1 3.92Å; V215-F274 HydrophobicContact CB-CD2 4.33Å; V215-F274 HydrophobicContact CB-CE1 3.57Å; V215-F274 HydrophobicContact CB-CE2 4.02Å; V215-F274 HydrophobicContact CB-CG 4.29Å; V215-F274 HydrophobicContact CB-CZ 3.61Å; V215-F274 HydrophobicContact CG1-CD1 4.12Å; V215-F274 HydrophobicContact CG1-CE1 3.36Å; V215-F274 HydrophobicContact CG1-CE2 4.41Å; V215-F274 HydrophobicContact CG1-CZ 3.53Å; V215-F274 HydrophobicContact CG2-CE1 4.41Å; V215-F274 HydrophobicContact CG2-CE2 4.05Å; V215-F274 HydrophobicContact CG2-CZ 3.94Å; V215-F274 PolarHBondContact N-O 3.28Å; V215-F274 PolarHBondContact O-N 3.36Å; V215-L276 HydrophobicContact CG2-CD1 3.82Å; V215-L276 HydrophobicContact CG2-CG 4.22Å
216	Y	95.8	Very high	87	Confident	14 Å²	14	24.3 Å²	24.3	6%	0.055	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	101.3	-176	-63.7	-93.9	0	0	0	109.8	K214 A223 H224 E226 R228 S292 V294	K214-Y216 HydrophobicContact CB-CE2 3.8Å; Y216-A223 WeakPolarHBondContact O-CA 3.43Å; Y216-H224 PolarHBondContact N-O 3.12Å; Y216-H224 PolarHBondContact O-N 3.33Å; Y216-E226 HydrophobicContact CD2-CG 4.39Å; Y216-E226 HydrophobicContact CE2-CG 3.84Å; Y216-R228 PolarHBondContact OH-NH2 2.9Å; Y216-S292 WeakPolarHBondContact CE1-OG 3.39Å; Y216-V294 HydrophobicContact CD1-CG2 3.91Å; Y216-V294 HydrophobicContact CD2-CG2 3.6Å; Y216-V294 HydrophobicContact CE1-CG2 4.48Å; Y216-V294 HydrophobicContact CE2-CG2 4.22Å; Y216-V294 HydrophobicContact CG-CG2 3.43Å; Y216-V294 VanDerWaalsContact CG-CG2 3.43Å
217	T	95.4	Very high	86.8	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	151.9	176.5	61	0	0	0	0	112	Y222 A223 A260 A264 C272 F274	T217-Y222 VanDerWaalsContact CA-O 3.3Å; T217-Y222 WeakPolarHBondContact CA-O 3.29Å; T217-A223 HydrophobicContact CG2-CB 4.26Å; T217-A260 HydrophobicContact CG2-CB 3.98Å; T217-A264 HydrophobicContact CG2-CB 4.24Å; T217-C272 PolarHBondContact N-O 2.93Å; T217-C272 PolarHBondContact O-N 3.41Å; T217-C272 VanDerWaalsContact OG1-CB 3.28Å; T217-C272 WeakPolarHBondContact OG1-CB 3.21Å; T217-C272 PolarHBondContact OG1-N 3.5Å; T217-C272 VanDerWaalsContact OG1-N 3.11Å; T217-C272 PolarHBondContact OG1-O 3.43Å; T217-F274 HydrophobicContact CG2-CE1 4.11Å
218	V	92.1	Very high	87	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	115.6	166.2	-172.6	0	0	0	0	108	Y222 Q270 Y300 C304 I307 L308	V218-Y222 HydrophobicContact CB-CD1 3.87Å; V218-Y222 HydrophobicContact CB-CE1 4.43Å; V218-Y222 HydrophobicContact CG2-CD1 3.95Å; V218-Y222 HydrophobicContact CG2-CE1 4.06Å; V218-Y222 PolarHBondContact N-O 2.87Å; V218-Y222 WeakPolarHBondContact O-CB 3.48Å; V218-Q270 CarbonylContact C-O 3.54Å; V218-Q270 WeakPolarHBondContact CA-O 3.43Å; V218-Y300 HydrophobicContact CG2-CE2 3.83Å; V218-C304 HydrophobicContact CG1-CB 4.47Å; V218-C304 HydrophobicContact CG2-CB 4.12Å; V218-I307 HydrophobicContact CG1-CB 4.19Å; V218-I307 HydrophobicContact CG1-CG2 3.85Å; V218-L308 HydrophobicContact CG1-CD1 4.32Å
219	A	86.8	Confident	87	Confident	11 Å²	11	21.7 Å²	21.7	9%	0.091	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-168	-172.9	0	0	0	0	0	113.6	D221 Q270 I307 L311	A219-D221 VanDerWaalsContact C-N 3.29Å; A219-D221 PolarHBondContact O-N 2.95Å; A219-Q270 VanDerWaalsContact C-OE1 3.31Å; A219-Q270 VanDerWaalsContact CA-OE1 3.24Å; A219-Q270 PolarHBondContact N-O 3.4Å; A219-I307 HydrophobicContact CB-CG2 3.69Å; A219-L311 HydrophobicContact CB-CD2 3.97Å
220	D	79.9	Confident	87.5	Confident	56 Å²	56	15.4 Å²	15.4	30%	0.299	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.8	-168	-139.3	72.7	0	0	0	114.6	K261 K265 Y537	D220-K261 WeakPolarHBondContact O-CD 3.35Å; D220-K261 WeakPolarHBondContact O-CE 3.48Å; D220-K261 WeakPolarHBondContact O-CG 3.3Å; D220-K261 PolarHBondContact O-NZ 2.85Å; D220-K261 WeakPolarHBondContact OD2-CE 3.28Å; D220-K261 IonicContact OD2-NZ 2.64Å; D220-K261 PolarHBondContact OD2-NZ 2.95Å; D220-K265 VanDerWaalsContact CG-CE 3.43Å; D220-K265 WeakPolarHBondContact OD1-CE 3.46Å; D220-K265 IonicContact OD1-NZ 2.61Å; D220-K265 PolarHBondContact OD1-NZ 2.88Å; D220-K265 WeakPolarHBondContact OD2-CE 3.34Å; D220-K265 IonicContact OD2-NZ 2.64Å; D220-K265 PolarHBondContact OD2-NZ 2.83Å; D220-Y537 WeakPolarHBondContact O-CE2 3.43Å
221	D	75.5	Confident	87.7	Confident	36 Å²	36	15.8 Å²	15.8	19%	0.193	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-1.3	-163.1	-95.8	-2.9	0	0	0	116.6	A219 K261 T536 Y537 R538	A219-D221 VanDerWaalsContact C-N 3.29Å; A219-D221 PolarHBondContact O-N 2.95Å; D221-K261 IonicContact OD1-NZ 3.78Å; D221-K261 PolarHBondContact OD1-NZ 2.91Å; D221-T536 CarbonylContact O-C 3.54Å; D221-T536 WeakPolarHBondContact O-CA 3.43Å; D221-T536 WeakPolarHBondContact O-CB 3.49Å; D221-Y537 VanDerWaalsContact CA-CE2 3.45Å; D221-Y537 HydrophobicContact CB-CD2 4.49Å; D221-Y537 PolarHBondContact O-N 3.08Å; D221-R538 IonicContact OD2-CZ 2.68Å; D221-R538 IonicContact OD2-NH2 3.55Å; D221-R538 PolarHBondContact OD2-NH2 2.93Å
222	Y	87.6	Confident	87.5	Confident	4 Å²	4	15.4 Å²	15.4	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.6	-178.2	173	-73.4	0	0	0	112.4	T217 V218 H224 Y300 D303 I307 S535	T217-Y222 VanDerWaalsContact CA-O 3.3Å; T217-Y222 WeakPolarHBondContact CA-O 3.29Å; V218-Y222 HydrophobicContact CB-CD1 3.87Å; V218-Y222 HydrophobicContact CB-CE1 4.43Å; V218-Y222 HydrophobicContact CG2-CD1 3.95Å; V218-Y222 HydrophobicContact CG2-CE1 4.06Å; V218-Y222 PolarHBondContact N-O 2.87Å; V218-Y222 WeakPolarHBondContact O-CB 3.48Å; Y222-H224 HydrophobicContact CE1-CB 4.12Å; Y222-Y300 HydrophobicContact CE1-CD2 4.05Å; Y222-Y300 HydrophobicContact CE1-CE2 4.02Å; Y222-D303 HydrophobicContact CE2-CB 3.59Å; Y222-D303 VanDerWaalsContact CE2-OD2 3.3Å; Y222-D303 WeakPolarHBondContact CE2-OD2 3.36Å; Y222-D303 WeakPolarHBondContact OH-CB 3.35Å; Y222-D303 PolarHBondContact OH-OD2 3.3Å; Y222-I307 HydrophobicContact CD1-CD1 4.43Å; Y222-I307 HydrophobicContact CD2-CD1 3.49Å; Y222-I307 VanDerWaalsContact CD2-CD1 3.49Å; Y222-I307 HydrophobicContact CE2-CD1 4.03Å; Y222-I307 HydrophobicContact CG-CD1 3.72Å; Y222-S535 WeakPolarHBondContact CA-O 3.42Å
223	A	90.8	Very high	87	Confident	8 Å²	8	19.1 Å²	19.1	7%	0.066	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	129.8	169.4	0	0	0	0	0	112.1	V215 Y216 T217 L252 A260 S535 Y537	V215-A223 HydrophobicContact CG1-CB 4.09Å; Y216-A223 WeakPolarHBondContact O-CA 3.43Å; T217-A223 HydrophobicContact CG2-CB 4.26Å; A223-L252 HydrophobicContact CB-CD1 3.9Å; A223-A260 HydrophobicContact CB-CB 3.96Å; A223-S535 PolarHBondContact N-O 2.89Å; A223-Y537 HydrophobicContact CB-CE1 3.78Å
224	H	89.8	Confident	86.3	Confident	32 Å²	32	22.2 Å²	22.2	15%	0.148	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	147.2	166.6	-177.9	91.7	0	0	0	109.8	V215 Y216 Y222 V294 Y300	V215-H224 CarbonylContact C-O 3.58Å; V215-H224 WeakPolarHBondContact CA-O 3.13Å; Y216-H224 PolarHBondContact N-O 3.12Å; Y216-H224 PolarHBondContact O-N 3.33Å; Y222-H224 HydrophobicContact CE1-CB 4.12Å; H224-V294 HydrophobicContact CB-CG2 4.12Å; H224-V294 WeakPolarHBondContact CD2-CG2 3.44Å; H224-Y300 HydrophobicContact CB-CD2 3.84Å; H224-Y300 HydrophobicContact CB-CE2 4.15Å
225	A	91.3	Very high	85.5	Confident	5 Å²	5	21.5 Å²	21.5	4%	0.041	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143	176	0	0	0	0	0	113.6	V213 K214 V215 V250 L252	V213-A225 HydrophobicContact CG1-CB 4.17Å; K214-A225 VanDerWaalsContact O-CA 3.3Å; K214-A225 WeakPolarHBondContact O-CA 3.28Å; V215-A225 HydrophobicContact CG2-CB 4.23Å; A225-V250 HydrophobicContact CB-CB 3.95Å; A225-V250 HydrophobicContact CB-CG1 4.03Å; A225-V250 PolarHBondContact O-N 3.41Å; A225-V250 VanDerWaalsContact O-N 3.07Å; A225-L252 HydrophobicContact CB-CD1 4.24Å; A225-L252 HydrophobicContact CB-CD2 3.61Å; A225-L252 HydrophobicContact CB-CG 3.74Å
226	E	88.2	Confident	84.9	Confident	9 Å²	9	27.8 Å²	27.8	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	128.8	178.4	40.7	160.1	-107.9	0	0	110.1	K214 Y216 R228 R247 Y248	K214-E226 HydrophobicContact CB-CG 4.4Å; K214-E226 WeakPolarHBondContact CB-O 3.03Å; K214-E226 PolarHBondContact N-O 2.71Å; K214-E226 PolarHBondContact O-N 2.7Å; Y216-E226 HydrophobicContact CD2-CG 4.39Å; Y216-E226 HydrophobicContact CE2-CG 3.84Å; E226-R228 IonicContact OE1-CZ 2.72Å; E226-R228 IonicContact OE1-NE 2.73Å; E226-R228 PolarHBondContact OE1-NE 2.72Å; E226-R228 IonicContact OE1-NH2 3.68Å; E226-R228 PolarHBondContact OE1-NH2 3.24Å; E226-R247 HydrophobicContact CB-CB 4.45Å; E226-R247 WeakPolarHBondContact OE1-CD 3.44Å; E226-R247 IonicContact OE1-NE 3.91Å; E226-R247 IonicContact OE1-NH1 3.31Å; E226-R247 VanDerWaalsContact OE2-CD 3.28Å; E226-R247 WeakPolarHBondContact OE2-CD 3.38Å; E226-R247 IonicContact OE2-CZ 3.49Å; E226-R247 IonicContact OE2-NE 3.54Å; E226-R247 IonicContact OE2-NH1 2.62Å; E226-R247 PolarHBondContact OE2-NH1 2.9Å; E226-Y248 CarbonylContact C-O 3.57Å; E226-Y248 WeakPolarHBondContact CA-O 3.27Å
227	A	85.7	Confident	84.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	146.5	172.9	0	0	0	0	0	110.7	D212 R247 Y248 V250	D212-A227 CarbonylContact O-C 3.59Å; D212-A227 VanDerWaalsContact O-CA 3.26Å; D212-A227 WeakPolarHBondContact O-CA 3.4Å; A227-R247 CarbonylContact O-C 3.54Å; A227-R247 WeakPolarHBondContact O-CA 3.5Å; A227-Y248 PolarHBondContact N-O 3.5Å; A227-Y248 PolarHBondContact O-N 3.36Å; A227-V250 HydrophobicContact CB-CG2 3.37Å; A227-V250 VanDerWaalsContact N-CG2 3.27Å
228	R	85.2	Confident	83.6	Confident	30 Å²	30	29.6 Å²	29.6	11%	0.113	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.9	170	-51.9	-171.5	-163.5	138.9	-2.5	109.1	T211 D212 K214 Y216 E226 S230 E245 R247	T211-R228 CarbonylContact C-O 3.46Å; T211-R228 VanDerWaalsContact CA-O 3.25Å; T211-R228 WeakPolarHBondContact CA-O 3.34Å; T211-R228 WeakPolarHBondContact CB-O 3.47Å; D212-R228 PolarHBondContact N-O 3.38Å; D212-R228 PolarHBondContact O-N 3.19Å; K214-R228 HydrophobicContact CG-CG 4.28Å; Y216-R228 PolarHBondContact OH-NH2 2.9Å; E226-R228 IonicContact OE1-CZ 2.72Å; E226-R228 IonicContact OE1-NE 2.73Å; E226-R228 PolarHBondContact OE1-NE 2.72Å; E226-R228 IonicContact OE1-NH2 3.68Å; E226-R228 PolarHBondContact OE1-NH2 3.24Å; R228-S230 PolarHBondContact O-N 2.64Å; R228-E245 VanDerWaalsContact CD-OE1 3.28Å; R228-E245 WeakPolarHBondContact CD-OE1 3.33Å; R228-R247 HydrophobicContact CG-CB 4.47Å; R228-R247 HydrophobicContact CG-CG 4.21Å
229	K	82.8	Confident	83.2	Confident	34 Å²	34	35.3 Å²	35.3	15%	0.148	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	131.1	172.6	177.9	171.2	175	-172.3	0	110.5	L233 D234 K236 E238	K229-L233 HydrophobicContact CG-CD1 4.05Å; K229-D234 WeakPolarHBondContact CE-OD1 3.22Å; K229-D234 VanDerWaalsContact NZ-CG 3.27Å; K229-D234 IonicContact NZ-OD1 3.45Å; K229-D234 PolarHBondContact NZ-OD1 3.45Å; K229-D234 IonicContact NZ-OD2 3.28Å; K229-D234 PolarHBondContact NZ-OD2 2.67Å; K229-K236 PolarHBondContact NZ-O 2.81Å; K229-E238 HydrophobicContact CD-CG 4.11Å; K229-E238 WeakPolarHBondContact CD-OE1 3.46Å; K229-E238 WeakPolarHBondContact CE-OE1 3.24Å; K229-E238 IonicContact NZ-OE1 2.74Å; K229-E238 PolarHBondContact NZ-OE1 3.44Å
230	S	83.9	Confident	82.7	Confident	13 Å²	13	37.3 Å²	37.3	9%	0.091	18%	0.184	C	C	.	.			trans	-67.7	130.6	-176.4	-169	0	0	0	0	111.2	G210 D212 R228 A232 L233	G210-S230 WeakPolarHBondContact O-CB 3.37Å; G210-S230 PolarHBondContact O-N 3.03Å; D212-S230 WeakPolarHBondContact OD1-CA 3.41Å; D212-S230 WeakPolarHBondContact OD1-CB 3.16Å; D212-S230 PolarHBondContact OD1-OG 2.9Å; R228-S230 PolarHBondContact O-N 2.64Å; S230-A232 PolarHBondContact O-N 3.14Å; S230-A232 PolarHBondContact OG-N 2.62Å; S230-L233 PolarHBondContact O-N 2.96Å
231	P	81	Confident	82.6	Confident	23 Å²	23	43.4 Å²	43.4	15%	0.149	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-14	171.6	-24.8	35.7	0	0	0	114.3	L177 S186 D212 L233	L177-P231 HydrophobicContact CD2-CB 3.8Å; L177-P231 HydrophobicContact CG-CB 3.85Å; S186-P231 WeakPolarHBondContact CB-O 3.38Å; S186-P231 PolarHBondContact OG-O 3.1Å; D212-P231 WeakPolarHBondContact OD2-CD 3.36Å; P231-L233 VanDerWaalsContact C-N 3.29Å; P231-L233 PolarHBondContact O-N 3.01Å
232	A	77	Confident	82.6	Confident	14 Å²	14	47.7 Å²	47.7	12%	0.116	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.3	177.7	0	0	0	0	0	114.9	I164 F205 S230	I164-A232 HydrophobicContact CD1-CB 3.42Å; I164-A232 VanDerWaalsContact CD1-CB 3.42Å; F205-A232 HydrophobicContact CE2-CB 3.95Å; F205-A232 HydrophobicContact CZ-CB 4.37Å; S230-A232 PolarHBondContact O-N 3.14Å; S230-A232 PolarHBondContact OG-N 2.62Å
233	L	75.9	Confident	82.2	Confident	93 Å²	93	49.2 Å²	49.2	49%	0.487	25%	0.246	S	C	.	.	S	Bend	trans	-78.4	-96.8	-175.3	-66	175.4	0	0	0	112.9	G210 K229 S230 P231	G210-L233 WeakPolarHBondContact O-CD1 3.37Å; K229-L233 HydrophobicContact CG-CD1 4.05Å; S230-L233 PolarHBondContact O-N 2.96Å; P231-L233 VanDerWaalsContact C-N 3.29Å; P231-L233 PolarHBondContact O-N 3.01Å
234	D	78.3	Confident	81.7	Confident	69 Å²	69	52.5 Å²	52.5	37%	0.369	26%	0.259	S	S	.	.	S	Bend	trans	-103.9	-15.5	-178.6	57.8	5.1	0	0	0	112.8	R184 K229 K236	R184-D234 PolarHBondContact NH2-O 2.87Å; K229-D234 WeakPolarHBondContact CE-OD1 3.22Å; K229-D234 VanDerWaalsContact NZ-CG 3.27Å; K229-D234 IonicContact NZ-OD1 3.45Å; K229-D234 PolarHBondContact NZ-OD1 3.45Å; K229-D234 IonicContact NZ-OD2 3.28Å; K229-D234 PolarHBondContact NZ-OD2 2.67Å; D234-K236 VanDerWaalsContact C-N 3.26Å; D234-K236 PolarHBondContact O-N 3.05Å; D234-K236 PolarHBondContact OD1-N 2.95Å
235	G	77.1	Confident	81.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.261	C	S	.	.			trans	72.9	11.1	-171.4	0	0	0	0	0	114.8	R184 S185 S186	R184-G235 CarbonylContact C-O 3.55Å; R184-G235 WeakPolarHBondContact CA-O 3.15Å; S185-G235 PolarHBondContact N-O 3.48Å; S185-G235 PolarHBondContact OG-O 3.48Å; S186-G235 WeakPolarHBondContact OG-CA 3.28Å; S186-G235 PolarHBondContact OG-N 2.63Å
236	K	82.9	Confident	80.8	Confident	133 Å²	133	54.7 Å²	54.7	58%	0.578	27%	0.271	S	S	*	.	B	Isolated β-bridge	trans	-89	111.4	177	-175.6	-176.1	177	-174.1	0	109.1	K229 D234 E238	K229-K236 PolarHBondContact NZ-O 2.81Å; D234-K236 VanDerWaalsContact C-N 3.26Å; D234-K236 PolarHBondContact O-N 3.05Å; D234-K236 PolarHBondContact OD1-N 2.95Å; K236-E238 PolarHBondContact O-N 2.9Å
237	V	84.5	Confident	80.4	Confident	13 Å²	13	56.9 Å²	56.9	8%	0.079	28%	0.279	C	S	.	.			trans	-70.4	111.9	176.7	-177.5	0	0	0	0	108.7	K180 N183 R239 E245	K180-V237 HydrophobicContact CD-CG2 4.25Å; K180-V237 HydrophobicContact CG-CG2 4.16Å; N183-V237 PolarHBondContact O-N 3.1Å; V237-R239 HydrophobicContact CG1-CG 4.4Å; V237-E245 HydrophobicContact CG1-CB 4.14Å; V237-E245 HydrophobicContact CG1-CG 3.89Å
238	E	79.6	Confident	79.9	Confident	39 Å²	39	58.6 Å²	58.6	18%	0.182	29%	0.285	C	S	.	.			trans	-69.3	135.8	173.3	-80.4	161.7	-163.4	0	0	110.5	K229 K236 E245 V246	K229-E238 HydrophobicContact CD-CG 4.11Å; K229-E238 WeakPolarHBondContact CD-OE1 3.46Å; K229-E238 WeakPolarHBondContact CE-OE1 3.24Å; K229-E238 IonicContact NZ-OE1 2.74Å; K229-E238 PolarHBondContact NZ-OE1 3.44Å; K236-E238 PolarHBondContact O-N 2.9Å; E238-E245 WeakPolarHBondContact O-CA 3Å; E238-V246 HydrophobicContact CB-CB 4.29Å; E238-V246 HydrophobicContact CB-CG2 4.23Å; E238-V246 PolarHBondContact O-N 2.75Å
239	R	83.1	Confident	79.2	Confident	119 Å²	119	58.4 Å²	58.4	45%	0.449	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-130.3	144.2	-175.2	-68.6	178.4	180	-88.1	0.2	111.4	G182 V237 G243 K244 V246	G182-R239 PolarHBondContact O-NH2 3.4Å; V237-R239 HydrophobicContact CG1-CG 4.4Å; R239-G243 WeakPolarHBondContact CD-O 3.41Å; R239-G243 PolarHBondContact NH1-O 2.97Å; R239-K244 CarbonylContact C-O 3.59Å; R239-K244 WeakPolarHBondContact CA-O 3.26Å; R239-K244 WeakPolarHBondContact CB-O 3.4Å; R239-V246 VanDerWaalsContact C-CG2 3.48Å
240	D	77.9	Confident	79.1	Confident	54 Å²	54	57.5 Å²	57.5	29%	0.289	29%	0.285	S	S	.	.			trans	-76.9	179.8	174.6	66.1	20.6	0	0	0	111.7	E242 G243 K244 V246	D240-E242 PolarHBondContact O-N 3.3Å; D240-E242 VanDerWaalsContact OD1-C 3.29Å; D240-E242 WeakPolarHBondContact OD1-CA 3.4Å; D240-E242 WeakPolarHBondContact OD1-CB 3.45Å; D240-E242 PolarHBondContact OD1-N 3.33Å; D240-G243 WeakPolarHBondContact O-CA 3.47Å; D240-G243 PolarHBondContact O-N 3.44Å; D240-G243 PolarHBondContact OD1-N 3.19Å; D240-K244 PolarHBondContact N-O 3.16Å; D240-K244 PolarHBondContact OD1-N 3.38Å; D240-K244 WeakPolarHBondContact OD2-CB 3.39Å; D240-V246 HydrophobicContact CB-CG2 4.37Å
241	H	77.6	Confident	78.8	Confident	183 Å²	183	58.9 Å²	58.9	85%	0.847	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-13	178.6	60.6	-94.7	0	0	0	113.8
242	E	75.2	Confident	78.8	Confident	126 Å²	126	58.2 Å²	58.2	59%	0.589	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	2.8	168.9	-66.4	-173.5	-115.8	0	0	112.2	D240 K244	D240-E242 PolarHBondContact O-N 3.3Å; D240-E242 VanDerWaalsContact OD1-C 3.29Å; D240-E242 WeakPolarHBondContact OD1-CA 3.4Å; D240-E242 WeakPolarHBondContact OD1-CB 3.45Å; D240-E242 PolarHBondContact OD1-N 3.33Å; E242-K244 VanDerWaalsContact C-N 3.29Å; E242-K244 HydrophobicContact CB-CD 4.4Å; E242-K244 HydrophobicContact CB-CG 4.29Å; E242-K244 PolarHBondContact O-N 2.56Å; E242-K244 IonicContact OE1-NZ 3.33Å; E242-K244 PolarHBondContact OE1-NZ 2.74Å; E242-K244 WeakPolarHBondContact OE2-CE 3.16Å; E242-K244 IonicContact OE2-NZ 2.59Å; E242-K244 PolarHBondContact OE2-NZ 2.98Å
243	G	79.4	Confident	78.8	Confident	37 Å²	37	60.6 Å²	60.6	38%	0.381	30%	0.299	S	S	.	.	S	Bend	trans	74.4	8.9	-178.3	0	0	0	0	0	114.8	R239 D240	R239-G243 WeakPolarHBondContact CD-O 3.41Å; R239-G243 PolarHBondContact NH1-O 2.97Å; D240-G243 WeakPolarHBondContact O-CA 3.47Å; D240-G243 PolarHBondContact O-N 3.44Å; D240-G243 PolarHBondContact OD1-N 3.19Å
244	K	78.6	Confident	78.7	Confident	77 Å²	77	57.7 Å²	57.7	34%	0.335	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-78.5	156.1	174.2	-50.1	166.4	-165.5	148.9	0	109.7	R239 D240 E242 V246	R239-K244 CarbonylContact C-O 3.59Å; R239-K244 WeakPolarHBondContact CA-O 3.26Å; R239-K244 WeakPolarHBondContact CB-O 3.4Å; D240-K244 PolarHBondContact N-O 3.16Å; D240-K244 PolarHBondContact OD1-N 3.38Å; D240-K244 WeakPolarHBondContact OD2-CB 3.39Å; E242-K244 VanDerWaalsContact C-N 3.29Å; E242-K244 HydrophobicContact CB-CD 4.4Å; E242-K244 HydrophobicContact CB-CG 4.29Å; E242-K244 PolarHBondContact O-N 2.56Å; E242-K244 IonicContact OE1-NZ 3.33Å; E242-K244 PolarHBondContact OE1-NZ 2.74Å; E242-K244 WeakPolarHBondContact OE2-CE 3.16Å; E242-K244 IonicContact OE2-NZ 2.59Å; E242-K244 PolarHBondContact OE2-NZ 2.98Å; K244-V246 PolarHBondContact O-N 3.39Å
245	E	83.1	Confident	78.7	Confident	44 Å²	44	58.5 Å²	58.5	21%	0.206	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-63.8	127.3	172.1	176	174.1	-175.6	0	0	111	K180 R228 V237 E238 R247	K180-E245 IonicContact NZ-OE1 2.74Å; K180-E245 PolarHBondContact NZ-OE1 2.84Å; K180-E245 IonicContact NZ-OE2 2.69Å; K180-E245 PolarHBondContact NZ-OE2 2.89Å; R228-E245 VanDerWaalsContact CD-OE1 3.28Å; R228-E245 WeakPolarHBondContact CD-OE1 3.33Å; V237-E245 HydrophobicContact CG1-CB 4.14Å; V237-E245 HydrophobicContact CG1-CG 3.89Å; E238-E245 WeakPolarHBondContact O-CA 3Å; E245-R247 WeakPolarHBondContact O-CG 3.33Å
246	V	80	Confident	79.3	Confident	39 Å²	39	58.5 Å²	58.5	24%	0.236	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-63.4	138	177.3	177.1	0	0	0	0	110.1	E238 R239 D240 K244 Y248	E238-V246 HydrophobicContact CB-CB 4.29Å; E238-V246 HydrophobicContact CB-CG2 4.23Å; E238-V246 PolarHBondContact O-N 2.75Å; R239-V246 VanDerWaalsContact C-CG2 3.48Å; D240-V246 HydrophobicContact CB-CG2 4.37Å; K244-V246 PolarHBondContact O-N 3.39Å; V246-Y248 HydrophobicContact CG1-CE1 3.86Å; V246-Y248 HydrophobicContact CG1-CE2 4.25Å
247	R	80.2	Confident	79.3	Confident	55 Å²	55	52.5 Å²	52.5	21%	0.208	26%	0.258	C	S	.	.			trans	-138.4	147.8	176.5	-39.8	-170.4	-142.6	133.7	23.7	109.5	E226 A227 R228 E245 K295 S296	E226-R247 HydrophobicContact CB-CB 4.45Å; E226-R247 WeakPolarHBondContact OE1-CD 3.44Å; E226-R247 IonicContact OE1-NE 3.91Å; E226-R247 IonicContact OE1-NH1 3.31Å; E226-R247 VanDerWaalsContact OE2-CD 3.28Å; E226-R247 WeakPolarHBondContact OE2-CD 3.38Å; E226-R247 IonicContact OE2-CZ 3.49Å; E226-R247 IonicContact OE2-NE 3.54Å; E226-R247 IonicContact OE2-NH1 2.62Å; E226-R247 PolarHBondContact OE2-NH1 2.9Å; A227-R247 CarbonylContact O-C 3.54Å; A227-R247 WeakPolarHBondContact O-CA 3.5Å; R228-R247 HydrophobicContact CG-CB 4.47Å; R228-R247 HydrophobicContact CG-CG 4.21Å; E245-R247 WeakPolarHBondContact O-CG 3.33Å; R247-K295 PolarHBondContact NH1-O 3.32Å; R247-S296 PolarHBondContact NH2-OG 3.4Å
248	Y	74.7	Confident	79.3	Confident	36 Å²	36	54.2 Å²	54.2	14%	0.141	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.3	178.2	-52.1	-71.7	0	0	0	109.3	E226 A227 V246 V250 P571	E226-Y248 CarbonylContact C-O 3.57Å; E226-Y248 WeakPolarHBondContact CA-O 3.27Å; A227-Y248 PolarHBondContact N-O 3.5Å; A227-Y248 PolarHBondContact O-N 3.36Å; V246-Y248 HydrophobicContact CG1-CE1 3.86Å; V246-Y248 HydrophobicContact CG1-CE2 4.25Å; Y248-V250 PolarHBondContact O-N 2.92Å; Y248-P571 HydrophobicContact CD1-CB 3.54Å; Y248-P571 HydrophobicContact CD1-CG 3.71Å; Y248-P571 HydrophobicContact CE1-CB 4.01Å; Y248-P571 HydrophobicContact CE1-CG 3.66Å; Y248-P571 HydrophobicContact CG-CB 4.32Å
249	P	70.3	Confident	79.9	Confident	26 Å²	26	52.8 Å²	52.8	17%	0.169	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	126.2	-179.9	28.1	-35.7	0	0	0	110.7	L565 I572 Q575	P249-L565 HydrophobicContact CB-CB 4.06Å; P249-L565 HydrophobicContact CB-CD1 4Å; P249-L565 HydrophobicContact CB-CD2 3.7Å; P249-L565 HydrophobicContact CB-CG 4.12Å; P249-L565 HydrophobicContact CG-CB 3.98Å; P249-L565 HydrophobicContact CG-CD1 3.85Å; P249-L565 HydrophobicContact CG-CD2 4.41Å; P249-L565 HydrophobicContact CG-CG 4.29Å; P249-I572 HydrophobicContact CG-CD1 4.4Å; P249-I572 HydrophobicContact CG-CG1 3.94Å; P249-Q575 PolarHBondContact O-OE1 2.87Å
250	V	80.8	Confident	80.3	Confident	14 Å²	14	47.1 Å²	47.1	9%	0.085	24%	0.238	C	C	.	.			trans	-113.7	129.1	178.8	173.5	0	0	0	0	111.6	V213 A225 A227 Y248 L252	V213-V250 HydrophobicContact CG1-CB 4.3Å; V213-V250 HydrophobicContact CG1-CG1 3.76Å; V213-V250 HydrophobicContact CG1-CG2 4.45Å; V213-V250 HydrophobicContact CG2-CG1 4.24Å; V213-V250 HydrophobicContact CG2-CG2 4.27Å; A225-V250 HydrophobicContact CB-CB 3.95Å; A225-V250 HydrophobicContact CB-CG1 4.03Å; A225-V250 PolarHBondContact O-N 3.41Å; A225-V250 VanDerWaalsContact O-N 3.07Å; A227-V250 HydrophobicContact CB-CG2 3.37Å; A227-V250 VanDerWaalsContact N-CG2 3.27Å; Y248-V250 PolarHBondContact O-N 2.92Å; V250-L252 HydrophobicContact CG1-CD2 4.28Å
251	I	77.2	Confident	80.8	Confident	42 Å²	42	46.1 Å²	46.1	22%	0.215	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-89.2	126.1	164.3	-57	-176.7	0	0	0	108.3	R278 H534 L541 L563 M576	I251-R278 PolarHBondContact O-NH2 3.34Å; I251-H534 WeakPolarHBondContact CG1-NE2 3.44Å; I251-L541 HydrophobicContact CD1-CD2 4.17Å; I251-L563 HydrophobicContact CD1-CD1 3.49Å; I251-L563 VanDerWaalsContact CD1-CD1 3.49Å; I251-L563 HydrophobicContact CG1-CD1 4.13Å; I251-M576 HydrophobicContact CD1-CE 3.45Å; I251-M576 VanDerWaalsContact CD1-CE 3.45Å; I251-M576 HydrophobicContact CD1-CG 3.86Å; I251-M576 HydrophobicContact CD1-SD 3.66Å; I251-M576 HydrophobicContact CG1-CG 4.43Å; I251-M576 HydrophobicContact CG1-SD 4.3Å
252	L	82.5	Confident	81.5	Confident	9 Å²	9	40.5 Å²	40.5	5%	0.047	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-78.4	131.2	168.8	-61.2	-175.9	0	0	0	110.2	V213 V215 A223 A225 V250 E256 K257 A260 L276	V213-L252 HydrophobicContact CG1-CD2 4.18Å; V215-L252 HydrophobicContact CG1-CD1 3.8Å; V215-L252 HydrophobicContact CG2-CD1 4.24Å; V215-L252 HydrophobicContact CG2-CD2 3.98Å; A223-L252 HydrophobicContact CB-CD1 3.9Å; A225-L252 HydrophobicContact CB-CD1 4.24Å; A225-L252 HydrophobicContact CB-CD2 3.61Å; A225-L252 HydrophobicContact CB-CG 3.74Å; V250-L252 HydrophobicContact CG1-CD2 4.28Å; L252-E256 HydrophobicContact CB-CB 3.95Å; L252-E256 HydrophobicContact CD2-CB 4.05Å; L252-E256 HydrophobicContact CG-CB 4.44Å; L252-K257 HydrophobicContact CB-CG 3.74Å; L252-K257 WeakPolarHBondContact O-CE 3.32Å; L252-A260 HydrophobicContact CD1-CB 4.46Å; L252-L276 HydrophobicContact CD2-CD1 4.25Å
253	T	76.7	Confident	82.4	Confident	64 Å²	64	34.5 Å²	34.5	39%	0.393	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-63.3	161.8	168.8	60.1	0	0	0	0	111.1	R255 E256 K257	T253-R255 PolarHBondContact O-N 3.06Å; T253-E256 WeakPolarHBondContact CB-OE2 3.36Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.45Å; T253-E256 PolarHBondContact N-OE2 2.87Å; T253-E256 PolarHBondContact O-N 2.9Å; T253-E256 VanDerWaalsContact OG1-CG 3.32Å; T253-E256 WeakPolarHBondContact OG1-CG 3.48Å; T253-E256 PolarHBondContact OG1-N 3.35Å; T253-E256 PolarHBondContact OG1-OE2 3.47Å; T253-K257 WeakPolarHBondContact O-CB 3.41Å; T253-K257 WeakPolarHBondContact O-CG 3.44Å; T253-K257 PolarHBondContact O-N 2.85Å
254	P	72.7	Confident	83.1	Confident	33 Å²	33	33.1 Å²	33.1	21%	0.214	16%	0.161	C	C	.	.	H	α-helix	trans	-53.2	-37.3	175.4	-28.8	36.7	0	0	0	113.8	K257 I258	P254-K257 WeakPolarHBondContact O-CB 3.44Å; P254-K257 PolarHBondContact O-N 2.95Å; P254-I258 WeakPolarHBondContact O-CG1 3.48Å; P254-I258 PolarHBondContact O-N 3.33Å
255	R	79	Confident	83.7	Confident	85 Å²	85	34.2 Å²	34.2	32%	0.321	17%	0.166	S	C	.	.	H	α-helix	trans	-65.5	-44.4	174.5	-177	173.7	-73.7	171.5	-0.4	112.2	T253 K257 I258 I259 M282	T253-R255 PolarHBondContact O-N 3.06Å; R255-K257 VanDerWaalsContact C-N 3.34Å; R255-I258 PolarHBondContact O-N 3.38Å; R255-I259 HydrophobicContact CG-CD1 4.24Å; R255-I259 WeakPolarHBondContact O-CG1 3.29Å; R255-I259 PolarHBondContact O-N 2.92Å; R255-M282 PolarHBondContact NH1-SD 3.17Å
256	E	88.8	Confident	84.2	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-31.7	176.8	-68.5	164.3	122.5	0	0	112.8	L252 T253 I259 A260 L276 R278 S283	L252-E256 HydrophobicContact CB-CB 3.95Å; L252-E256 HydrophobicContact CD2-CB 4.05Å; L252-E256 HydrophobicContact CG-CB 4.44Å; T253-E256 WeakPolarHBondContact CB-OE2 3.36Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.45Å; T253-E256 PolarHBondContact N-OE2 2.87Å; T253-E256 PolarHBondContact O-N 2.9Å; T253-E256 VanDerWaalsContact OG1-CG 3.32Å; T253-E256 WeakPolarHBondContact OG1-CG 3.48Å; T253-E256 PolarHBondContact OG1-N 3.35Å; T253-E256 PolarHBondContact OG1-OE2 3.47Å; E256-I259 PolarHBondContact O-N 2.79Å; E256-A260 WeakPolarHBondContact O-CB 3.43Å; E256-A260 PolarHBondContact O-N 3.35Å; E256-L276 HydrophobicContact CB-CD1 4.14Å; E256-L276 HydrophobicContact CG-CD1 4Å; E256-R278 VanDerWaalsContact CD-NH2 3.29Å; E256-R278 IonicContact OE1-CZ 2.77Å; E256-R278 VanDerWaalsContact OE1-CZ 3.31Å; E256-R278 IonicContact OE1-NE 3.37Å; E256-R278 PolarHBondContact OE1-NE 2.84Å; E256-R278 IonicContact OE1-NH2 3.12Å; E256-R278 PolarHBondContact OE1-NH2 2.6Å; E256-R278 IonicContact OE2-CZ 3.62Å; E256-R278 IonicContact OE2-NE 3.61Å; E256-R278 IonicContact OE2-NH2 2.75Å; E256-R278 PolarHBondContact OE2-NH2 2.93Å; E256-S283 WeakPolarHBondContact CG-OG 3.47Å; E256-S283 PolarHBondContact OE1-OG 3.16Å
257	K	83.7	Confident	84.8	Confident	8 Å²	8	31.1 Å²	31.1	4%	0.035	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-45.4	170.8	-77.6	177.2	164.7	-156	0	111	L252 T253 P254 R255 A260 K261 H534 T536 Y537 H539	L252-K257 HydrophobicContact CB-CG 3.74Å; L252-K257 WeakPolarHBondContact O-CE 3.32Å; T253-K257 WeakPolarHBondContact O-CB 3.41Å; T253-K257 WeakPolarHBondContact O-CG 3.44Å; T253-K257 PolarHBondContact O-N 2.85Å; P254-K257 WeakPolarHBondContact O-CB 3.44Å; P254-K257 PolarHBondContact O-N 2.95Å; R255-K257 VanDerWaalsContact C-N 3.34Å; K257-A260 PolarHBondContact O-N 2.86Å; K257-K261 PolarHBondContact O-N 2.86Å; K257-K261 VanDerWaalsContact O-N 3.13Å; K257-H534 PolarHBondContact NZ-O 2.89Å; K257-T536 PolarHBondContact NZ-O 3.32Å; K257-Y537 HydrophobicContact CB-CD1 3.43Å; K257-Y537 VanDerWaalsContact CB-CD1 3.43Å; K257-Y537 HydrophobicContact CB-CE1 4.02Å; K257-Y537 HydrophobicContact CB-CG 4.15Å; K257-Y537 HydrophobicContact CD-CD1 4.29Å; K257-Y537 HydrophobicContact CG-CD1 3.74Å; K257-Y537 HydrophobicContact CG-CE1 4.31Å; K257-Y537 VanDerWaalsContact O-CE1 3.25Å; K257-Y537 WeakPolarHBondContact O-CE1 3.32Å; K257-H539 PolarHBondContact NZ-O 2.88Å
258	I	84.3	Confident	85.5	Confident	49 Å²	49	36.2 Å²	36.2	25%	0.251	17%	0.171	S	C	.	.	H	α-helix	trans	-64.5	-41.2	172.7	-67.2	164.2	0	0	0	111.5	P254 R255 A260 K261 K262	P254-I258 WeakPolarHBondContact O-CG1 3.48Å; P254-I258 PolarHBondContact O-N 3.33Å; R255-I258 PolarHBondContact O-N 3.38Å; I258-A260 VanDerWaalsContact C-N 3.34Å; I258-A260 PolarHBondContact O-N 2.88Å; I258-K261 PolarHBondContact O-N 2.91Å; I258-K262 PolarHBondContact O-N 2.93Å
259	I	91.5	Very high	86.5	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-44.8	173.9	-72.6	165	0	0	0	110.8	V114 P115 R255 E256 K261 K262 V263 F274 L276 V285	V114-I259 HydrophobicContact CG1-CG2 3.92Å; P115-I259 HydrophobicContact CG-CD1 4.36Å; R255-I259 HydrophobicContact CG-CD1 4.24Å; R255-I259 WeakPolarHBondContact O-CG1 3.29Å; R255-I259 PolarHBondContact O-N 2.92Å; E256-I259 PolarHBondContact O-N 2.79Å; I259-K261 VanDerWaalsContact C-N 3.34Å; I259-K261 PolarHBondContact O-N 2.86Å; I259-K262 PolarHBondContact O-N 3.48Å; I259-K262 VanDerWaalsContact O-N 3.15Å; I259-V263 HydrophobicContact CG2-CG2 4.08Å; I259-V263 VanDerWaalsContact O-CG2 3.31Å; I259-V263 WeakPolarHBondContact O-CG2 3.22Å; I259-V263 PolarHBondContact O-N 2.9Å; I259-F274 HydrophobicContact CG2-CE2 4.29Å; I259-L276 HydrophobicContact CG2-CD2 4.28Å; I259-V285 HydrophobicContact CG2-CG2 3.64Å
260	A	92.5	Very high	87.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-42.8	177.1	0	0	0	0	0	112.5	V215 T217 A223 L252 E256 K257 I258 V263 A264 F274 Y537	V215-A260 HydrophobicContact CG1-CB 4.23Å; T217-A260 HydrophobicContact CG2-CB 3.98Å; A223-A260 HydrophobicContact CB-CB 3.96Å; L252-A260 HydrophobicContact CD1-CB 4.46Å; E256-A260 WeakPolarHBondContact O-CB 3.43Å; E256-A260 PolarHBondContact O-N 3.35Å; K257-A260 PolarHBondContact O-N 2.86Å; I258-A260 VanDerWaalsContact C-N 3.34Å; I258-A260 PolarHBondContact O-N 2.88Å; A260-V263 PolarHBondContact O-N 2.89Å; A260-A264 PolarHBondContact O-N 3.26Å; A260-A264 VanDerWaalsContact O-N 3.13Å; A260-F274 HydrophobicContact CB-CE1 3.86Å; A260-F274 HydrophobicContact CB-CZ 3.7Å; A260-Y537 HydrophobicContact CB-CE1 4.18Å
261	K	88.8	Confident	88.3	Confident	33 Å²	33	34.9 Å²	34.9	14%	0.143	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-44.8	173.4	-166	160.2	-175	143.5	0	112.1	D220 D221 K257 I258 I259 K265 Y537	D220-K261 WeakPolarHBondContact O-CD 3.35Å; D220-K261 WeakPolarHBondContact O-CE 3.48Å; D220-K261 WeakPolarHBondContact O-CG 3.3Å; D220-K261 PolarHBondContact O-NZ 2.85Å; D220-K261 WeakPolarHBondContact OD2-CE 3.28Å; D220-K261 IonicContact OD2-NZ 2.64Å; D220-K261 PolarHBondContact OD2-NZ 2.95Å; D221-K261 IonicContact OD1-NZ 3.78Å; D221-K261 PolarHBondContact OD1-NZ 2.91Å; K257-K261 PolarHBondContact O-N 2.86Å; K257-K261 VanDerWaalsContact O-N 3.13Å; I258-K261 PolarHBondContact O-N 2.91Å; I259-K261 VanDerWaalsContact C-N 3.34Å; I259-K261 PolarHBondContact O-N 2.86Å; K261-K265 WeakPolarHBondContact O-CG 3.48Å; K261-K265 PolarHBondContact O-N 2.97Å; K261-Y537 HydrophobicContact CB-CD2 4.24Å; K261-Y537 HydrophobicContact CB-CE2 3.55Å; K261-Y537 HydrophobicContact CD-CD2 3.95Å; K261-Y537 HydrophobicContact CD-CE2 3.82Å; K261-Y537 HydrophobicContact CG-CE2 3.94Å; K261-Y537 PolarHBondContact N-OH 2.63Å
262	K	92	Very high	89.2	Confident	66 Å²	66	32.9 Å²	32.9	29%	0.287	15%	0.153	S	C	.	.	H	α-helix	trans	-63.6	-48.4	177.3	-75.4	-171	171.4	-165.1	0	112.2	E112 G113 V114 I258 I259 A264 K265 A266	E112-K262 WeakPolarHBondContact O-CD 3.22Å; E112-K262 WeakPolarHBondContact O-CE 3.34Å; E112-K262 PolarHBondContact O-NZ 2.75Å; G113-K262 PolarHBondContact O-NZ 3.34Å; V114-K262 HydrophobicContact CG2-CB 3.5Å; V114-K262 VanDerWaalsContact CG2-CB 3.5Å; V114-K262 HydrophobicContact CG2-CD 3.84Å; V114-K262 HydrophobicContact CG2-CG 4.34Å; I258-K262 PolarHBondContact O-N 2.93Å; I259-K262 PolarHBondContact O-N 3.48Å; I259-K262 VanDerWaalsContact O-N 3.15Å; K262-A264 PolarHBondContact O-N 3.49Å; K262-K265 PolarHBondContact O-N 2.83Å; K262-A266 VanDerWaalsContact O-CB 3.31Å; K262-A266 WeakPolarHBondContact O-CB 3.4Å; K262-A266 PolarHBondContact O-N 3.09Å
263	V	94.6	Very high	89.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.3	-52.4	179.3	172.7	0	0	0	0	110.7	L109 V114 I259 A260 K265 A266 V267 F274 V285 V288	L109-V263 HydrophobicContact CD2-CB 4.39Å; L109-V263 HydrophobicContact CD2-CG1 4.41Å; L109-V263 HydrophobicContact CD2-CG2 3.84Å; V114-V263 HydrophobicContact CG1-CG2 4.16Å; I259-V263 HydrophobicContact CG2-CG2 4.08Å; I259-V263 VanDerWaalsContact O-CG2 3.31Å; I259-V263 WeakPolarHBondContact O-CG2 3.22Å; I259-V263 PolarHBondContact O-N 2.9Å; A260-V263 PolarHBondContact O-N 2.89Å; V263-K265 VanDerWaalsContact C-N 3.28Å; V263-K265 PolarHBondContact O-N 2.94Å; V263-A266 PolarHBondContact O-N 3.29Å; V263-V267 WeakPolarHBondContact O-CG2 3.42Å; V263-V267 PolarHBondContact O-N 2.82Å; V263-F274 HydrophobicContact CB-CD1 4.23Å; V263-F274 HydrophobicContact CB-CE1 4.19Å; V263-F274 HydrophobicContact CB-CG 4.49Å; V263-F274 HydrophobicContact CB-CZ 4.41Å; V263-F274 HydrophobicContact CG1-CB 4.1Å; V263-F274 HydrophobicContact CG1-CD1 3.76Å; V263-F274 HydrophobicContact CG1-CD2 4.38Å; V263-F274 HydrophobicContact CG1-CE1 4.23Å; V263-F274 HydrophobicContact CG1-CG 3.85Å; V263-F274 HydrophobicContact CG2-CD2 4.23Å; V263-F274 HydrophobicContact CG2-CE1 4.48Å; V263-F274 HydrophobicContact CG2-CE2 4.09Å; V263-F274 HydrophobicContact CG2-CG 4.49Å; V263-F274 HydrophobicContact CG2-CZ 4.24Å; V263-V285 HydrophobicContact CG2-CG1 4.5Å; V263-V285 HydrophobicContact CG2-CG2 3.9Å; V263-V288 HydrophobicContact CG1-CG1 4.08Å; V263-V288 HydrophobicContact CG1-CG2 4.15Å
264	A	93	Very high	90.8	Very high	7 Å²	7	29.7 Å²	29.7	6%	0.058	13%	0.134	C	C	.	.	H	α-helix	trans	-57.6	-39.3	-179.1	0	0	0	0	0	112.8	T217 A260 K262 R268 Q269	T217-A264 HydrophobicContact CG2-CB 4.24Å; A260-A264 PolarHBondContact O-N 3.26Å; A260-A264 VanDerWaalsContact O-N 3.13Å; K262-A264 PolarHBondContact O-N 3.49Å; A264-R268 WeakPolarHBondContact O-CA 3.17Å; A264-R268 PolarHBondContact O-N 3.43Å; A264-R268 VanDerWaalsContact O-N 3.1Å; A264-Q269 PolarHBondContact O-N 3.05Å
265	K	92	Very high	91.9	Very high	101 Å²	101	29.4 Å²	29.4	44%	0.439	13%	0.13	S	C	.	.	H	α-helix	trans	-72.8	-43.1	175.9	-69	-175.3	-171.1	-117.6	0	112.9	D220 K261 K262 V263 V267 R268	D220-K265 VanDerWaalsContact CG-CE 3.43Å; D220-K265 WeakPolarHBondContact OD1-CE 3.46Å; D220-K265 IonicContact OD1-NZ 2.61Å; D220-K265 PolarHBondContact OD1-NZ 2.88Å; D220-K265 WeakPolarHBondContact OD2-CE 3.34Å; D220-K265 IonicContact OD2-NZ 2.64Å; D220-K265 PolarHBondContact OD2-NZ 2.83Å; K261-K265 WeakPolarHBondContact O-CG 3.48Å; K261-K265 PolarHBondContact O-N 2.97Å; K262-K265 PolarHBondContact O-N 2.83Å; V263-K265 VanDerWaalsContact C-N 3.28Å; V263-K265 PolarHBondContact O-N 2.94Å; K265-V267 VanDerWaalsContact C-N 3.3Å; K265-V267 PolarHBondContact O-N 3.11Å; K265-R268 PolarHBondContact O-N 2.98Å
266	A	92.7	Very high	92.6	Very high	17 Å²	17	25.3 Å²	25.3	14%	0.14	12%	0.115	C	C	.	.	H	α-helix	trans	-56.5	-42.1	-179.4	0	0	0	0	0	112.3	C108 L109 E112 K262 V263	C108-A266 HydrophobicContact CB-CB 4.41Å; L109-A266 HydrophobicContact CD2-CB 4.4Å; E112-A266 HydrophobicContact CG-CB 3.93Å; K262-A266 VanDerWaalsContact O-CB 3.31Å; K262-A266 WeakPolarHBondContact O-CB 3.4Å; K262-A266 PolarHBondContact O-N 3.09Å; V263-A266 PolarHBondContact O-N 3.29Å
267	V	94	Very high	92.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	4.5	176.7	-61.5	0	0	0	0	114.1	S95 L99 V263 K265 Q269 V288	S95-V267 VanDerWaalsContact CB-O 3.29Å; S95-V267 WeakPolarHBondContact CB-O 3.29Å; L99-V267 HydrophobicContact CD2-CB 3.92Å; L99-V267 HydrophobicContact CD2-CG1 3.85Å; L99-V267 HydrophobicContact CD2-CG2 4.18Å; V263-V267 WeakPolarHBondContact O-CG2 3.42Å; V263-V267 PolarHBondContact O-N 2.82Å; K265-V267 VanDerWaalsContact C-N 3.3Å; K265-V267 PolarHBondContact O-N 3.11Å; V267-Q269 VanDerWaalsContact C-N 3.27Å; V267-Q269 HydrophobicContact CB-CG 4.22Å; V267-Q269 HydrophobicContact CG2-CB 4.05Å; V267-Q269 HydrophobicContact CG2-CG 3.7Å; V267-Q269 WeakPolarHBondContact O-CG 3.35Å; V267-Q269 PolarHBondContact O-N 3.46Å; V267-Q269 PolarHBondContact O-NE2 3.45Å; V267-V288 HydrophobicContact CG1-CG1 4.27Å; V267-V288 HydrophobicContact CG2-CG1 4.09Å
268	R	94.7	Very high	93.1	Very high	162 Å²	162	29.4 Å²	29.4	61%	0.611	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	36.6	179.8	-53.7	-175.8	-177.8	175.4	-0.1	114.7	D92 A264 K265	D92-R268 HydrophobicContact CB-CB 3.6Å; D92-R268 WeakPolarHBondContact CB-O 3.49Å; D92-R268 PolarHBondContact N-O 3.28Å; A264-R268 WeakPolarHBondContact O-CA 3.17Å; A264-R268 PolarHBondContact O-N 3.43Å; A264-R268 VanDerWaalsContact O-N 3.1Å; K265-R268 PolarHBondContact O-N 2.98Å
269	Q	95.1	Very high	93.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-112.2	108.4	-179.5	-57.8	-53.4	-74.8	0	0	109.6	N91 D92 L99 A264 V267 I271 C272	N91-Q269 PolarHBondContact ND2-OE1 3.5Å; D92-Q269 PolarHBondContact O-NE2 3.31Å; L99-Q269 HydrophobicContact CD1-CG 4.04Å; A264-Q269 PolarHBondContact O-N 3.05Å; V267-Q269 VanDerWaalsContact C-N 3.27Å; V267-Q269 HydrophobicContact CB-CG 4.22Å; V267-Q269 HydrophobicContact CG2-CB 4.05Å; V267-Q269 HydrophobicContact CG2-CG 3.7Å; V267-Q269 WeakPolarHBondContact O-CG 3.35Å; V267-Q269 PolarHBondContact O-N 3.46Å; V267-Q269 PolarHBondContact O-NE2 3.45Å; Q269-I271 VanDerWaalsContact C-N 3.33Å; Q269-C272 HydrophobicContact CB-CB 3.8Å
270	Q	92	Very high	92.6	Very high	48 Å²	48	32.7 Å²	32.7	22%	0.224	15%	0.151	C	C	.	.	S	Bend	trans	-69.8	-32.4	178	-63.2	-68.7	-7.3	0	0	111.8	V90 N91 V218 A219	V90-Q270 HydrophobicContact CG1-CB 4.49Å; V90-Q270 WeakPolarHBondContact O-CB 3.36Å; V90-Q270 WeakPolarHBondContact O-CG 3.37Å; N91-Q270 PolarHBondContact OD1-N 2.57Å; V218-Q270 CarbonylContact C-O 3.54Å; V218-Q270 WeakPolarHBondContact CA-O 3.43Å; A219-Q270 VanDerWaalsContact C-OE1 3.31Å; A219-Q270 VanDerWaalsContact CA-OE1 3.24Å; A219-Q270 PolarHBondContact N-O 3.4Å
271	I	95.9	Very high	91.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.4	164.8	-65	160	0	0	0	107.1	V90 N91 Q269 F291 F293 L308	V90-I271 HydrophobicContact CG1-CD1 4.16Å; N91-I271 PolarHBondContact ND2-O 3.23Å; N91-I271 PolarHBondContact OD1-N 3.1Å; Q269-I271 VanDerWaalsContact C-N 3.33Å; I271-F291 HydrophobicContact CB-CD2 3.94Å; I271-F291 HydrophobicContact CB-CE2 3.99Å; I271-F291 HydrophobicContact CD1-CD2 4.28Å; I271-F291 HydrophobicContact CD1-CE2 3.48Å; I271-F291 VanDerWaalsContact CD1-CE2 3.48Å; I271-F291 HydrophobicContact CD1-CZ 4Å; I271-F291 HydrophobicContact CG1-CE2 4.35Å; I271-F291 HydrophobicContact CG2-CD2 3.92Å; I271-F291 HydrophobicContact CG2-CE2 3.96Å; I271-F291 HydrophobicContact CG2-CG 4.22Å; I271-F291 HydrophobicContact CG2-CZ 4.27Å; I271-F291 WeakPolarHBondContact O-CA 3.32Å; I271-F293 HydrophobicContact CD1-CE1 3.81Å; I271-F293 HydrophobicContact CD1-CZ 4.19Å; I271-F293 HydrophobicContact CG1-CE1 4.33Å; I271-F293 HydrophobicContact CG2-CD1 3.97Å; I271-F293 HydrophobicContact CG2-CE1 3.83Å; I271-L308 HydrophobicContact CD1-CD1 3.75Å; I271-L308 HydrophobicContact CD1-CD2 4.04Å; I271-L308 HydrophobicContact CG1-CD1 4.14Å
272	C	96.3	Very high	91.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124	-177.8	-160.9	0	0	0	0	112.7	T217 Q269 G290	T217-C272 PolarHBondContact N-O 2.93Å; T217-C272 PolarHBondContact O-N 3.41Å; T217-C272 VanDerWaalsContact OG1-CB 3.28Å; T217-C272 WeakPolarHBondContact OG1-CB 3.21Å; T217-C272 PolarHBondContact OG1-N 3.5Å; T217-C272 VanDerWaalsContact OG1-N 3.11Å; T217-C272 PolarHBondContact OG1-O 3.43Å; Q269-C272 HydrophobicContact CB-CB 3.8Å; C272-G290 CarbonylContact C-O 3.54Å; C272-G290 WeakPolarHBondContact CA-O 3.47Å
273	G	96.1	Very high	91.8	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.8	165.5	0	0	0	0	0	111.4	V215 N289 G290	V215-G273 CarbonylContact O-C 3.56Å; V215-G273 VanDerWaalsContact O-CA 3.24Å; V215-G273 WeakPolarHBondContact O-CA 3.14Å; G273-N289 PolarHBondContact O-N 3.38Å; G273-G290 PolarHBondContact N-O 2.89Å
274	F	96.6	Very high	91.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	163.3	173.8	72.3	-87.9	0	0	0	112.1	V215 T217 I259 A260 V263 L276 V285 D287 V288	V215-F274 HydrophobicContact CB-CD1 3.92Å; V215-F274 HydrophobicContact CB-CD2 4.33Å; V215-F274 HydrophobicContact CB-CE1 3.57Å; V215-F274 HydrophobicContact CB-CE2 4.02Å; V215-F274 HydrophobicContact CB-CG 4.29Å; V215-F274 HydrophobicContact CB-CZ 3.61Å; V215-F274 HydrophobicContact CG1-CD1 4.12Å; V215-F274 HydrophobicContact CG1-CE1 3.36Å; V215-F274 HydrophobicContact CG1-CE2 4.41Å; V215-F274 HydrophobicContact CG1-CZ 3.53Å; V215-F274 HydrophobicContact CG2-CE1 4.41Å; V215-F274 HydrophobicContact CG2-CE2 4.05Å; V215-F274 HydrophobicContact CG2-CZ 3.94Å; V215-F274 PolarHBondContact N-O 3.28Å; V215-F274 PolarHBondContact O-N 3.36Å; T217-F274 HydrophobicContact CG2-CE1 4.11Å; I259-F274 HydrophobicContact CG2-CE2 4.29Å; A260-F274 HydrophobicContact CB-CE1 3.86Å; A260-F274 HydrophobicContact CB-CZ 3.7Å; V263-F274 HydrophobicContact CB-CD1 4.23Å; V263-F274 HydrophobicContact CB-CE1 4.19Å; V263-F274 HydrophobicContact CB-CG 4.49Å; V263-F274 HydrophobicContact CB-CZ 4.41Å; V263-F274 HydrophobicContact CG1-CB 4.1Å; V263-F274 HydrophobicContact CG1-CD1 3.76Å; V263-F274 HydrophobicContact CG1-CD2 4.38Å; V263-F274 HydrophobicContact CG1-CE1 4.23Å; V263-F274 HydrophobicContact CG1-CG 3.85Å; V263-F274 HydrophobicContact CG2-CD2 4.23Å; V263-F274 HydrophobicContact CG2-CE1 4.48Å; V263-F274 HydrophobicContact CG2-CE2 4.09Å; V263-F274 HydrophobicContact CG2-CG 4.49Å; V263-F274 HydrophobicContact CG2-CZ 4.24Å; F274-L276 HydrophobicContact CD2-CG 4.33Å; F274-L276 HydrophobicContact CE2-CD1 4.11Å; F274-L276 HydrophobicContact CE2-CD2 4.14Å; F274-L276 HydrophobicContact CE2-CG 3.74Å; F274-V285 HydrophobicContact CD2-CG1 4.02Å; F274-V285 HydrophobicContact CD2-CG2 3.99Å; F274-V285 HydrophobicContact CE2-CG2 3.94Å; F274-D287 CarbonylContact C-O 3.48Å; F274-D287 WeakPolarHBondContact CA-O 3.45Å; F274-D287 WeakPolarHBondContact CB-O 3.28Å; F274-V288 HydrophobicContact CB-CB 4.37Å; F274-V288 HydrophobicContact CB-CG1 4.29Å; F274-V288 HydrophobicContact CB-CG2 4.11Å
275	D	95.6	Very high	92	Very high	27 Å²	27	37.4 Å²	37.4	14%	0.144	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.2	-174.1	-69.6	0.1	0	0	0	111.5	K214 V285 C286 D287	K214-D275 WeakPolarHBondContact CD-OD1 3.45Å; K214-D275 IonicContact NZ-OD1 2.69Å; K214-D275 IonicContact NZ-OD2 3.84Å; K214-D275 PolarHBondContact NZ-OD2 3.05Å; D275-V285 WeakPolarHBondContact O-CA 3.49Å; D275-C286 PolarHBondContact O-N 3.12Å; D275-D287 HydrophobicContact CB-CB 3.96Å; D275-D287 PolarHBondContact N-O 3.43Å
276	L	94.5	Very high	92.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.7	174.2	-81.5	176.7	0	0	0	111.8	V213 V215 L252 E256 I259 F274 Y284 V285	V213-L276 HydrophobicContact CB-CB 3.98Å; V213-L276 HydrophobicContact CG1-CB 4.33Å; V213-L276 PolarHBondContact N-O 3.24Å; V213-L276 PolarHBondContact O-N 3.49Å; V215-L276 HydrophobicContact CG2-CD1 3.82Å; V215-L276 HydrophobicContact CG2-CG 4.22Å; L252-L276 HydrophobicContact CD2-CD1 4.25Å; E256-L276 HydrophobicContact CB-CD1 4.14Å; E256-L276 HydrophobicContact CG-CD1 4Å; I259-L276 HydrophobicContact CG2-CD2 4.28Å; F274-L276 HydrophobicContact CD2-CG 4.33Å; F274-L276 HydrophobicContact CE2-CD1 4.11Å; F274-L276 HydrophobicContact CE2-CD2 4.14Å; F274-L276 HydrophobicContact CE2-CG 3.74Å; L276-Y284 CarbonylContact C-O 3.59Å; L276-Y284 WeakPolarHBondContact CA-O 3.33Å; L276-V285 HydrophobicContact CD2-CB 4.48Å; L276-V285 HydrophobicContact CD2-CG2 3.62Å
277	L	92.7	Very high	92.2	Very high	20 Å²	20	33.6 Å²	33.6	11%	0.105	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.8	168.2	-57.4	-179.9	0	0	0	108.8	M206 T208 S283 Y284 C286	M206-L277 HydrophobicContact CB-CB 4.26Å; M206-L277 HydrophobicContact CB-CD1 3.92Å; M206-L277 HydrophobicContact CG-CD1 4.01Å; T208-L277 HydrophobicContact CG2-CB 3.77Å; T208-L277 HydrophobicContact CG2-CD2 4.02Å; T208-L277 HydrophobicContact CG2-CG 4.4Å; L277-S283 WeakPolarHBondContact O-CA 3.37Å; L277-Y284 PolarHBondContact N-O 3.1Å; L277-Y284 PolarHBondContact O-N 2.84Å; L277-C286 HydrophobicContact CD1-CB 3.74Å; L277-C286 HydrophobicContact CG-CB 4.01Å
278	R	90	Very high	92.3	Very high	73 Å²	73	33.8 Å²	33.8	28%	0.275	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	110.7	171.3	-73.3	178.7	171.6	172.8	-4.4	108.6	T208 V213 I251 E256 M282	T208-R278 WeakPolarHBondContact CA-O 3.32Å; T208-R278 WeakPolarHBondContact CB-O 3.3Å; T208-R278 WeakPolarHBondContact CG2-O 3.28Å; V213-R278 HydrophobicContact CG2-CG 4.48Å; I251-R278 PolarHBondContact O-NH2 3.34Å; E256-R278 VanDerWaalsContact CD-NH2 3.29Å; E256-R278 IonicContact OE1-CZ 2.77Å; E256-R278 VanDerWaalsContact OE1-CZ 3.31Å; E256-R278 IonicContact OE1-NE 3.37Å; E256-R278 PolarHBondContact OE1-NE 2.84Å; E256-R278 IonicContact OE1-NH2 3.12Å; E256-R278 PolarHBondContact OE1-NH2 2.6Å; E256-R278 IonicContact OE2-CZ 3.62Å; E256-R278 IonicContact OE2-NE 3.61Å; E256-R278 IonicContact OE2-NH2 2.75Å; E256-R278 PolarHBondContact OE2-NH2 2.93Å; R278-M282 WeakPolarHBondContact CA-O 3.49Å
279	A	85.6	Confident	92.1	Very high	6 Å²	6	30 Å²	30	5%	0.05	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	146.5	-176.4	0	0	0	0	0	109.8	M206 P207 G281 M282 Y284	M206-A279 HydrophobicContact CB-CB 3.92Å; M206-A279 HydrophobicContact CE-CB 3.96Å; P207-A279 VanDerWaalsContact O-CB 3.24Å; P207-A279 WeakPolarHBondContact O-CB 3.32Å; A279-G281 PolarHBondContact O-N 2.8Å; A279-M282 PolarHBondContact N-O 2.82Å; A279-M282 CarbonylContact O-C 3.6Å; A279-M282 WeakPolarHBondContact O-CA 3.27Å; A279-M282 PolarHBondContact O-N 3.15Å; A279-M282 VanDerWaalsContact O-O 3.06Å; A279-Y284 HydrophobicContact CB-CE2 4.45Å
280	N	80.5	Confident	92	Very high	121 Å²	121	29.9 Å²	29.9	65%	0.647	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	34	173.4	-56.8	-16.7	0	0	0	114.9	M282	N280-M282 PolarHBondContact O-N 2.96Å
281	G	77.7	Confident	92.2	Very high	86 Å²	86	28.7 Å²	28.7	89%	0.887	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	4.3	-177.1	0	0	0	0	0	115.4	A279	A279-G281 PolarHBondContact O-N 2.8Å
282	M	86.2	Confident	92.1	Very high	61 Å²	61	30.3 Å²	30.3	30%	0.3	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	172.7	-177	-71	-68.4	-78	0	0	111.2	P115 R255 R278 A279 N280 Y284	P115-M282 HydrophobicContact CG-CE 4.46Å; R255-M282 PolarHBondContact NH1-SD 3.17Å; R278-M282 WeakPolarHBondContact CA-O 3.49Å; A279-M282 PolarHBondContact N-O 2.82Å; A279-M282 CarbonylContact O-C 3.6Å; A279-M282 WeakPolarHBondContact O-CA 3.27Å; A279-M282 PolarHBondContact O-N 3.15Å; A279-M282 VanDerWaalsContact O-O 3.06Å; N280-M282 PolarHBondContact O-N 2.96Å; M282-Y284 HydrophobicContact CB-CD2 4.3Å; M282-Y284 HydrophobicContact CB-CE2 3.47Å; M282-Y284 VanDerWaalsContact CB-CE2 3.47Å
283	S	92	Very high	92	Very high	12 Å²	12	31.3 Å²	31.3	8%	0.084	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	120	179.6	-48.2	0	0	0	0	109.4	E256 L277	E256-S283 WeakPolarHBondContact CG-OG 3.47Å; E256-S283 PolarHBondContact OE1-OG 3.16Å; L277-S283 WeakPolarHBondContact O-CA 3.37Å
284	Y	95.4	Very high	91.7	Very high	46 Å²	46	31.1 Å²	31.1	18%	0.18	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.7	-171.7	-58.1	-95.6	0	0	0	110.4	P115 V116 M206 L276 L277 A279 M282	P115-Y284 HydrophobicContact CB-CD1 3.84Å; P115-Y284 HydrophobicContact CB-CE1 4.27Å; P115-Y284 CarbonylContact O-C 3.56Å; P115-Y284 WeakPolarHBondContact O-CA 3.31Å; V116-Y284 WeakPolarHBondContact O-CD1 3.36Å; M206-Y284 HydrophobicContact CE-CD2 3.78Å; M206-Y284 HydrophobicContact CE-CE1 4.35Å; M206-Y284 HydrophobicContact CE-CE2 3.53Å; M206-Y284 HydrophobicContact CE-CG 4.3Å; L276-Y284 CarbonylContact C-O 3.59Å; L276-Y284 WeakPolarHBondContact CA-O 3.33Å; L277-Y284 PolarHBondContact N-O 3.1Å; L277-Y284 PolarHBondContact O-N 2.84Å; A279-Y284 HydrophobicContact CB-CE2 4.45Å; M282-Y284 HydrophobicContact CB-CD2 4.3Å; M282-Y284 HydrophobicContact CB-CE2 3.47Å; M282-Y284 VanDerWaalsContact CB-CE2 3.47Å
285	V	96.8	Very high	91.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.3	175.7	179.2	0	0	0	0	109.3	L109 V114 P115 V116 P117 I259 V263 F274 D275 L276 V288	L109-V285 HydrophobicContact CD1-CB 3.97Å; L109-V285 HydrophobicContact CD1-CG1 3.55Å; V114-V285 HydrophobicContact CG1-CB 4.19Å; V114-V285 HydrophobicContact CG1-CG2 3.61Å; P115-V285 PolarHBondContact O-N 3.35Å; V116-V285 HydrophobicContact CG1-CB 4.44Å; V116-V285 WeakPolarHBondContact CG1-O 3.3Å; P117-V285 VanDerWaalsContact CD-O 3.29Å; P117-V285 WeakPolarHBondContact CD-O 3.44Å; I259-V285 HydrophobicContact CG2-CG2 3.64Å; V263-V285 HydrophobicContact CG2-CG1 4.5Å; V263-V285 HydrophobicContact CG2-CG2 3.9Å; F274-V285 HydrophobicContact CD2-CG1 4.02Å; F274-V285 HydrophobicContact CD2-CG2 3.99Å; F274-V285 HydrophobicContact CE2-CG2 3.94Å; D275-V285 WeakPolarHBondContact O-CA 3.49Å; L276-V285 HydrophobicContact CD2-CB 4.48Å; L276-V285 HydrophobicContact CD2-CG2 3.62Å; V285-V288 HydrophobicContact CG1-CG2 3.86Å
286	C	94.8	Very high	90.5	Very high	13 Å²	13	37.8 Å²	37.8	9%	0.088	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-11.2	-176.1	70.7	0	0	0	0	114.8	Y106 P117 K153 D275 L277	Y106-C286 WeakPolarHBondContact OH-CA 3.41Å; Y106-C286 PolarHBondContact OH-O 2.97Å; P117-C286 HydrophobicContact CG-CB 4.32Å; K153-C286 PolarHBondContact NZ-O 3.46Å; D275-C286 PolarHBondContact O-N 3.12Å; L277-C286 HydrophobicContact CD1-CB 3.74Å; L277-C286 HydrophobicContact CG-CB 4.01Å
287	D	93.6	Very high	89.9	Confident	24 Å²	24	38.6 Å²	38.6	13%	0.128	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	144.3	177	-163.5	46.1	0	0	0	110.1	R102 F274 D275 N289	R102-D287 IonicContact CZ-OD1 3.06Å; R102-D287 IonicContact NH1-OD1 2.7Å; R102-D287 PolarHBondContact NH1-OD1 2.93Å; F274-D287 CarbonylContact C-O 3.48Å; F274-D287 WeakPolarHBondContact CA-O 3.45Å; F274-D287 WeakPolarHBondContact CB-O 3.28Å; D275-D287 HydrophobicContact CB-CB 3.96Å; D275-D287 PolarHBondContact N-O 3.43Å; D287-N289 PolarHBondContact OD2-ND2 2.87Å
288	V	95.9	Very high	89.4	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	117.2	177.4	-174.4	0	0	0	0	108.8	L99 V105 L109 V263 V267 F274 V285	L99-V288 HydrophobicContact CD2-CB 4.44Å; L99-V288 HydrophobicContact CD2-CG1 3.84Å; V105-V288 HydrophobicContact CG1-CB 3.8Å; V105-V288 HydrophobicContact CG1-CG2 3.63Å; L109-V288 HydrophobicContact CD1-CG2 3.98Å; V263-V288 HydrophobicContact CG1-CG1 4.08Å; V263-V288 HydrophobicContact CG1-CG2 4.15Å; V267-V288 HydrophobicContact CG1-CG1 4.27Å; V267-V288 HydrophobicContact CG2-CG1 4.09Å; F274-V288 HydrophobicContact CB-CB 4.37Å; F274-V288 HydrophobicContact CB-CG1 4.29Å; F274-V288 HydrophobicContact CB-CG2 4.11Å; V285-V288 HydrophobicContact CG1-CG2 3.86Å
289	N	91.1	Very high	88.8	Confident	81 Å²	81	43.1 Å²	43.1	43%	0.433	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-8.3	-168.9	-76.6	-109.8	0	0	0	113.7	G273 D287	G273-N289 PolarHBondContact O-N 3.38Å; D287-N289 PolarHBondContact OD2-ND2 2.87Å
290	G	92.5	Very high	88.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.5	-137.6	-170.4	0	0	0	0	0	112.3	C272 G273 S292	C272-G290 CarbonylContact C-O 3.54Å; C272-G290 WeakPolarHBondContact CA-O 3.47Å; G273-G290 PolarHBondContact N-O 2.89Å; G290-S292 PolarHBondContact O-N 3Å
291	F	95.6	Very high	89.3	Confident	23 Å²	23	37.5 Å²	37.5	10%	0.101	21%	0.209	C	C	.	.	S	Bend	trans	-57.2	109.7	-170.3	-166.5	-78	0	0	0	113.2	M28 V66 F68 I271 F293	M28-F291 HydrophobicContact CE-CE1 4.06Å; M28-F291 HydrophobicContact CE-CZ 3.94Å; V66-F291 HydrophobicContact CG1-CE2 3.78Å; V66-F291 HydrophobicContact CG1-CZ 4.05Å; F68-F291 HydrophobicContact CB-CB 3.42Å; F68-F291 VanDerWaalsContact CB-CB 3.42Å; F68-F291 HydrophobicContact CB-CD1 4.38Å; F68-F291 HydrophobicContact CB-CD2 3.99Å; F68-F291 HydrophobicContact CB-CG 3.68Å; F68-F291 HydrophobicContact CD1-CB 4.2Å; F68-F291 AromaticContact CD1-CD1 3.57Å; F68-F291 HydrophobicContact CD1-CD1 3.57Å; F68-F291 AromaticContact CD1-CD2 3.53Å; F68-F291 HydrophobicContact CD1-CD2 3.53Å; F68-F291 AromaticContact CD1-CE1 3.74Å; F68-F291 HydrophobicContact CD1-CE1 3.74Å; F68-F291 AromaticContact CD1-CE2 3.66Å; F68-F291 HydrophobicContact CD1-CE2 3.66Å; F68-F291 AromaticContact CD1-CG 3.47Å; F68-F291 HydrophobicContact CD1-CG 3.47Å; F68-F291 VanDerWaalsContact CD1-CG 3.47Å; F68-F291 AromaticContact CD1-CZ 3.77Å; F68-F291 HydrophobicContact CD1-CZ 3.77Å; F68-F291 HydrophobicContact CD2-CB 3.89Å; F68-F291 AromaticContact CD2-CD1 3.62Å; F68-F291 HydrophobicContact CD2-CD1 3.62Å; F68-F291 HydrophobicContact CD2-CE1 4.36Å; F68-F291 AromaticContact CD2-CG 3.8Å; F68-F291 HydrophobicContact CD2-CG 3.8Å; F68-F291 AromaticContact CE1-CD1 3.62Å; F68-F291 HydrophobicContact CE1-CD1 3.62Å; F68-F291 HydrophobicContact CE1-CD2 4.17Å; F68-F291 AromaticContact CE1-CE1 3.38Å; F68-F291 HydrophobicContact CE1-CE1 3.38Å; F68-F291 AromaticContact CE1-CE2 3.94Å; F68-F291 HydrophobicContact CE1-CE2 3.94Å; F68-F291 HydrophobicContact CE1-CG 4.03Å; F68-F291 AromaticContact CE1-CZ 3.54Å; F68-F291 HydrophobicContact CE1-CZ 3.54Å; F68-F291 AromaticContact CE2-CD1 3.65Å; F68-F291 HydrophobicContact CE2-CD1 3.65Å; F68-F291 HydrophobicContact CE2-CE1 4.03Å; F68-F291 HydrophobicContact CE2-CG 4.29Å; F68-F291 HydrophobicContact CG-CB 3.58Å; F68-F291 AromaticContact CG-CD1 3.58Å; F68-F291 HydrophobicContact CG-CD1 3.58Å; F68-F291 AromaticContact CG-CD2 3.81Å; F68-F291 HydrophobicContact CG-CD2 3.81Å; F68-F291 HydrophobicContact CG-CE1 4.22Å; F68-F291 HydrophobicContact CG-CE2 4.39Å; F68-F291 AromaticContact CG-CG 3.35Å; F68-F291 HydrophobicContact CG-CG 3.35Å; F68-F291 AromaticContact CZ-CD1 3.66Å; F68-F291 HydrophobicContact CZ-CD1 3.66Å; F68-F291 AromaticContact CZ-CE1 3.54Å; F68-F291 HydrophobicContact CZ-CE1 3.54Å; F68-F291 HydrophobicContact CZ-CG 4.4Å; F68-F291 HydrophobicContact CZ-CZ 4.17Å; I271-F291 HydrophobicContact CB-CD2 3.94Å; I271-F291 HydrophobicContact CB-CE2 3.99Å; I271-F291 HydrophobicContact CD1-CD2 4.28Å; I271-F291 HydrophobicContact CD1-CE2 3.48Å; I271-F291 VanDerWaalsContact CD1-CE2 3.48Å; I271-F291 HydrophobicContact CD1-CZ 4Å; I271-F291 HydrophobicContact CG1-CE2 4.35Å; I271-F291 HydrophobicContact CG2-CD2 3.92Å; I271-F291 HydrophobicContact CG2-CE2 3.96Å; I271-F291 HydrophobicContact CG2-CG 4.22Å; I271-F291 HydrophobicContact CG2-CZ 4.27Å; I271-F291 WeakPolarHBondContact O-CA 3.32Å; F291-F293 HydrophobicContact CE1-CD1 4.49Å; F291-F293 HydrophobicContact CE1-CD2 4.08Å; F291-F293 HydrophobicContact CE1-CE1 4.25Å; F291-F293 AromaticContact CE1-CE2 3.8Å; F291-F293 HydrophobicContact CE1-CE2 3.8Å; F291-F293 HydrophobicContact CE1-CG 4.44Å; F291-F293 AromaticContact CE1-CZ 3.9Å; F291-F293 HydrophobicContact CE1-CZ 3.9Å; F291-F293 HydrophobicContact CE2-CZ 4.42Å; F291-F293 HydrophobicContact CZ-CD2 4.45Å; F291-F293 AromaticContact CZ-CE1 3.89Å; F291-F293 HydrophobicContact CZ-CE1 3.89Å; F291-F293 AromaticContact CZ-CE2 3.75Å; F291-F293 HydrophobicContact CZ-CE2 3.75Å; F291-F293 AromaticContact CZ-CZ 3.43Å; F291-F293 HydrophobicContact CZ-CZ 3.43Å; F291-F293 VanDerWaalsContact CZ-CZ 3.43Å
292	S	94.2	Very high	89.5	Confident	34 Å²	34	35.9 Å²	35.9	24%	0.238	18%	0.18	C	C	.	.			trans	-150.1	131.5	-176.5	-157.9	0	0	0	0	110.4	Y216 G290	Y216-S292 WeakPolarHBondContact CE1-OG 3.39Å; G290-S292 PolarHBondContact O-N 3Å
293	F	94.5	Very high	89.3	Confident	20 Å²	20	33.7 Å²	33.7	9%	0.088	17%	0.169	C	C	.	.			trans	-106.2	144.2	174.2	-71.2	-35.4	0	0	0	110.9	P27 M28 I31 I271 F291 Y300	P27-F293 HydrophobicContact CB-CB 3.93Å; P27-F293 HydrophobicContact CB-CD2 4.13Å; P27-F293 HydrophobicContact CB-CG 4.5Å; M28-F293 HydrophobicContact CE-CE2 3.79Å; M28-F293 HydrophobicContact CE-CZ 4.47Å; M28-F293 HydrophobicContact SD-CE2 3.83Å; M28-F293 HydrophobicContact SD-CZ 4.48Å; I31-F293 HydrophobicContact CD1-CD1 3.81Å; I31-F293 HydrophobicContact CD1-CD2 3.68Å; I31-F293 HydrophobicContact CD1-CE1 3.69Å; I31-F293 HydrophobicContact CD1-CE2 3.56Å; I31-F293 HydrophobicContact CD1-CG 3.8Å; I31-F293 HydrophobicContact CD1-CZ 3.56Å; I271-F293 HydrophobicContact CD1-CE1 3.81Å; I271-F293 HydrophobicContact CD1-CZ 4.19Å; I271-F293 HydrophobicContact CG1-CE1 4.33Å; I271-F293 HydrophobicContact CG2-CD1 3.97Å; I271-F293 HydrophobicContact CG2-CE1 3.83Å; F291-F293 HydrophobicContact CE1-CD1 4.49Å; F291-F293 HydrophobicContact CE1-CD2 4.08Å; F291-F293 HydrophobicContact CE1-CE1 4.25Å; F291-F293 AromaticContact CE1-CE2 3.8Å; F291-F293 HydrophobicContact CE1-CE2 3.8Å; F291-F293 HydrophobicContact CE1-CG 4.44Å; F291-F293 AromaticContact CE1-CZ 3.9Å; F291-F293 HydrophobicContact CE1-CZ 3.9Å; F291-F293 HydrophobicContact CE2-CZ 4.42Å; F291-F293 HydrophobicContact CZ-CD2 4.45Å; F291-F293 AromaticContact CZ-CE1 3.89Å; F291-F293 HydrophobicContact CZ-CE1 3.89Å; F291-F293 AromaticContact CZ-CE2 3.75Å; F291-F293 HydrophobicContact CZ-CE2 3.75Å; F291-F293 AromaticContact CZ-CZ 3.43Å; F291-F293 HydrophobicContact CZ-CZ 3.43Å; F291-F293 VanDerWaalsContact CZ-CZ 3.43Å; F293-Y300 HydrophobicContact CB-CE1 4.04Å; F293-Y300 AromaticContact CD1-CE1 3.94Å; F293-Y300 HydrophobicContact CD1-CE1 3.94Å; F293-Y300 HydrophobicContact CG-CE1 4.32Å
294	V	90.2	Very high	89.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.			trans	-58.8	149	167.4	-177.8	0	0	0	0	109.3	Y216 H224 Y300 Y301	Y216-V294 HydrophobicContact CD1-CG2 3.91Å; Y216-V294 HydrophobicContact CD2-CG2 3.6Å; Y216-V294 HydrophobicContact CE1-CG2 4.48Å; Y216-V294 HydrophobicContact CE2-CG2 4.22Å; Y216-V294 HydrophobicContact CG-CG2 3.43Å; Y216-V294 VanDerWaalsContact CG-CG2 3.43Å; H224-V294 HydrophobicContact CB-CG2 4.12Å; H224-V294 WeakPolarHBondContact CD2-CG2 3.44Å; V294-Y300 HydrophobicContact CB-CD1 3.56Å; V294-Y300 HydrophobicContact CB-CD2 3.95Å; V294-Y300 HydrophobicContact CB-CE1 3.88Å; V294-Y300 HydrophobicContact CB-CE2 4.24Å; V294-Y300 HydrophobicContact CB-CG 3.58Å; V294-Y300 HydrophobicContact CG1-CG 4.39Å; V294-Y300 HydrophobicContact CG2-CD1 3.94Å; V294-Y300 HydrophobicContact CG2-CD2 3.44Å; V294-Y300 VanDerWaalsContact CG2-CD2 3.44Å; V294-Y300 HydrophobicContact CG2-CE1 3.99Å; V294-Y300 HydrophobicContact CG2-CE2 3.49Å; V294-Y300 VanDerWaalsContact CG2-CE2 3.49Å; V294-Y300 HydrophobicContact CG2-CG 3.65Å; V294-Y301 WeakPolarHBondContact O-CE1 3.43Å
295	K	85.8	Confident	89	Confident	123 Å²	123	31.1 Å²	31.1	54%	0.535	16%	0.158	S	C	.	.	S	Bend	trans	-108.6	154.6	177.8	-62.5	168.9	-171.6	170.3	0	109.6	P27 R247 S297	P27-K295 HydrophobicContact CG-CG 4.33Å; R247-K295 PolarHBondContact NH1-O 3.32Å; K295-S297 PolarHBondContact O-N 2.82Å
296	S	80	Confident	88.4	Confident	46 Å²	46	34.1 Å²	34.1	32%	0.322	17%	0.172	S	C	.	.	S	Bend	trans	58.9	-33	-178.4	54.3	0	0	0	0	118.4	R247 K298 Y301	R247-S296 PolarHBondContact NH2-OG 3.4Å; S296-K298 PolarHBondContact O-N 3.46Å; S296-K298 VanDerWaalsContact O-N 3.1Å; S296-Y301 PolarHBondContact N-OH 3.37Å; S296-Y301 VanDerWaalsContact N-OH 3.07Å
297	S	82.2	Confident	87.9	Confident	17 Å²	17	34.5 Å²	34.5	12%	0.119	17%	0.173	C	C	.	.			trans	-64.1	110.2	179.5	-175.5	0	0	0	0	112.4	K295 Y300 Y301	K295-S297 PolarHBondContact O-N 2.82Å; S297-Y300 PolarHBondContact OG-N 3.37Å; S297-Y301 WeakPolarHBondContact O-CD2 3.39Å; S297-Y301 WeakPolarHBondContact O-CE2 3.18Å
298	K	82.3	Confident	87.7	Confident	156 Å²	156	33.5 Å²	33.5	68%	0.678	17%	0.168	S	C	*	.	H	α-helix	trans	-58.5	-49.9	172.7	-72.3	180	178.2	176.6	0	111.2	S296 Y300 Y301 D302	S296-K298 PolarHBondContact O-N 3.46Å; S296-K298 VanDerWaalsContact O-N 3.1Å; K298-Y300 VanDerWaalsContact C-N 3.29Å; K298-Y300 PolarHBondContact O-N 3.14Å; K298-Y301 WeakPolarHBondContact O-CA 3.48Å; K298-Y301 WeakPolarHBondContact O-CB 3.36Å; K298-Y301 PolarHBondContact O-N 3.18Å; K298-D302 PolarHBondContact O-N 2.74Å; K298-D302 VanDerWaalsContact O-N 3.1Å
299	K	78.2	Confident	87.2	Confident	32 Å²	32	33.3 Å²	33.3	14%	0.139	17%	0.166	C	C	.	.	H	α-helix	trans	-50.7	-44.6	179.9	178.1	-123.8	-170.1	-61	0	112.3	Y301 D302 D303 L531 S535	K299-Y301 VanDerWaalsContact C-N 3.32Å; K299-Y301 PolarHBondContact O-N 3.36Å; K299-D302 PolarHBondContact O-N 2.93Å; K299-D303 IonicContact NZ-OD1 2.73Å; K299-D303 PolarHBondContact NZ-OD1 3.41Å; K299-D303 IonicContact NZ-OD2 2.67Å; K299-D303 PolarHBondContact NZ-OD2 3.18Å; K299-D303 VanDerWaalsContact O-CG 3.29Å; K299-D303 PolarHBondContact O-N 3.02Å; K299-L531 WeakPolarHBondContact CE-O 3.49Å; K299-L531 PolarHBondContact NZ-O 3.16Å; K299-S535 PolarHBondContact NZ-OG 3.13Å
300	Y	86.7	Confident	86.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-37.3	176	178	-93.5	0	0	0	112.8	I31 V218 Y222 H224 F293 V294 S297 K298 C304	I31-Y300 HydrophobicContact CD1-CE1 4.35Å; V218-Y300 HydrophobicContact CG2-CE2 3.83Å; Y222-Y300 HydrophobicContact CE1-CD2 4.05Å; Y222-Y300 HydrophobicContact CE1-CE2 4.02Å; H224-Y300 HydrophobicContact CB-CD2 3.84Å; H224-Y300 HydrophobicContact CB-CE2 4.15Å; F293-Y300 HydrophobicContact CB-CE1 4.04Å; F293-Y300 AromaticContact CD1-CE1 3.94Å; F293-Y300 HydrophobicContact CD1-CE1 3.94Å; F293-Y300 HydrophobicContact CG-CE1 4.32Å; V294-Y300 HydrophobicContact CB-CD1 3.56Å; V294-Y300 HydrophobicContact CB-CD2 3.95Å; V294-Y300 HydrophobicContact CB-CE1 3.88Å; V294-Y300 HydrophobicContact CB-CE2 4.24Å; V294-Y300 HydrophobicContact CB-CG 3.58Å; V294-Y300 HydrophobicContact CG1-CG 4.39Å; V294-Y300 HydrophobicContact CG2-CD1 3.94Å; V294-Y300 HydrophobicContact CG2-CD2 3.44Å; V294-Y300 VanDerWaalsContact CG2-CD2 3.44Å; V294-Y300 HydrophobicContact CG2-CE1 3.99Å; V294-Y300 HydrophobicContact CG2-CE2 3.49Å; V294-Y300 VanDerWaalsContact CG2-CE2 3.49Å; V294-Y300 HydrophobicContact CG2-CG 3.65Å; S297-Y300 PolarHBondContact OG-N 3.37Å; K298-Y300 VanDerWaalsContact C-N 3.29Å; K298-Y300 PolarHBondContact O-N 3.14Å; Y300-C304 HydrophobicContact CD1-CB 4.4Å; Y300-C304 HydrophobicContact CE1-CB 4.14Å; Y300-C304 WeakPolarHBondContact O-CB 3.2Å; Y300-C304 PolarHBondContact O-N 3.3Å
301	Y	90.2	Very high	86.4	Confident	8 Å²	8	33.5 Å²	33.5	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-67.9	-39.9	176.1	-50.1	-39.2	0	0	0	111.8	P27 E30 I31 R34 V294 S296 S297 K298 K299 S305	P27-Y301 HydrophobicContact CB-CE1 3.8Å; P27-Y301 HydrophobicContact CG-CE1 4.41Å; E30-Y301 HydrophobicContact CB-CD1 4.37Å; E30-Y301 HydrophobicContact CB-CD2 3.52Å; E30-Y301 HydrophobicContact CB-CE2 3.92Å; E30-Y301 HydrophobicContact CB-CG 3.78Å; E30-Y301 HydrophobicContact CG-CD2 3.96Å; E30-Y301 HydrophobicContact CG-CE2 3.96Å; I31-Y301 HydrophobicContact CD1-CD1 4.01Å; I31-Y301 HydrophobicContact CG1-CD1 3.87Å; I31-Y301 HydrophobicContact CG1-CG 4.27Å; R34-Y301 WeakPolarHBondContact CD-O 3.5Å; V294-Y301 WeakPolarHBondContact O-CE1 3.43Å; S296-Y301 PolarHBondContact N-OH 3.37Å; S296-Y301 VanDerWaalsContact N-OH 3.07Å; S297-Y301 WeakPolarHBondContact O-CD2 3.39Å; S297-Y301 WeakPolarHBondContact O-CE2 3.18Å; K298-Y301 WeakPolarHBondContact O-CA 3.48Å; K298-Y301 WeakPolarHBondContact O-CB 3.36Å; K298-Y301 PolarHBondContact O-N 3.18Å; K299-Y301 VanDerWaalsContact C-N 3.32Å; K299-Y301 PolarHBondContact O-N 3.36Å; Y301-S305 WeakPolarHBondContact O-CB 3.03Å; Y301-S305 PolarHBondContact O-N 3.08Å; Y301-S305 PolarHBondContact O-OG 2.62Å
302	D	82.2	Confident	86.1	Confident	52 Å²	52	32.4 Å²	32.4	28%	0.278	16%	0.164	S	C	.	.	H	α-helix	trans	-62.4	-54	174.5	-70.1	-70.8	0	0	0	111.1	R34 K298 K299 S305 H306	R34-D302 WeakPolarHBondContact CD-OD1 3.19Å; R34-D302 IonicContact CZ-OD1 2.74Å; R34-D302 IonicContact CZ-OD2 3.72Å; R34-D302 IonicContact NE-OD1 2.69Å; R34-D302 PolarHBondContact NE-OD1 3.33Å; R34-D302 IonicContact NE-OD2 3.18Å; R34-D302 PolarHBondContact NE-OD2 3.4Å; R34-D302 VanDerWaalsContact NE-OD2 3.12Å; R34-D302 IonicContact NH2-OD1 3.66Å; R34-D302 IonicContact NH2-OD2 3.88Å; R34-D302 PolarHBondContact NH2-OD2 2.92Å; K298-D302 PolarHBondContact O-N 2.74Å; K298-D302 VanDerWaalsContact O-N 3.1Å; K299-D302 PolarHBondContact O-N 2.93Å; D302-S305 PolarHBondContact O-OG 3.32Å; D302-H306 PolarHBondContact O-N 3.47Å
303	D	81.2	Confident	85.6	Confident	15 Å²	15	31.3 Å²	31.3	8%	0.08	16%	0.156	C	C	.	.	H	α-helix	trans	-56.2	-54.4	175.3	-63.6	-39.7	0	0	0	112	Y222 K299 S305 H306 I307	Y222-D303 HydrophobicContact CE2-CB 3.59Å; Y222-D303 VanDerWaalsContact CE2-OD2 3.3Å; Y222-D303 WeakPolarHBondContact CE2-OD2 3.36Å; Y222-D303 WeakPolarHBondContact OH-CB 3.35Å; Y222-D303 PolarHBondContact OH-OD2 3.3Å; K299-D303 IonicContact NZ-OD1 2.73Å; K299-D303 PolarHBondContact NZ-OD1 3.41Å; K299-D303 IonicContact NZ-OD2 2.67Å; K299-D303 PolarHBondContact NZ-OD2 3.18Å; K299-D303 VanDerWaalsContact O-CG 3.29Å; K299-D303 PolarHBondContact O-N 3.02Å; D303-S305 PolarHBondContact O-N 3.04Å; D303-H306 PolarHBondContact O-N 3.33Å; D303-I307 HydrophobicContact CB-CD1 4.31Å; D303-I307 WeakPolarHBondContact O-CB 3.47Å; D303-I307 VanDerWaalsContact O-CG1 3.26Å; D303-I307 WeakPolarHBondContact O-CG1 3.37Å; D303-I307 PolarHBondContact O-N 3.1Å
304	C	89.8	Confident	85	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-42.1	-172.9	-176.6	0	0	0	0	111.3	I31 V218 Y300 H306 L308	I31-C304 HydrophobicContact CD1-CB 4.2Å; I31-C304 HydrophobicContact CG1-CB 4.49Å; V218-C304 HydrophobicContact CG1-CB 4.47Å; V218-C304 HydrophobicContact CG2-CB 4.12Å; Y300-C304 HydrophobicContact CD1-CB 4.4Å; Y300-C304 HydrophobicContact CE1-CB 4.14Å; Y300-C304 WeakPolarHBondContact O-CB 3.2Å; Y300-C304 PolarHBondContact O-N 3.3Å; C304-H306 PolarHBondContact O-N 2.96Å; C304-L308 VanDerWaalsContact O-CB 3.29Å; C304-L308 WeakPolarHBondContact O-CB 2.88Å; C304-L308 PolarHBondContact O-N 3.48Å
305	S	90.6	Very high	84.8	Confident	5 Å²	5	42.9 Å²	42.9	4%	0.035	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-42.5	177.5	66.1	0	0	0	0	112.3	I31 R34 M35 Y301 D302 D303 G309	I31-S305 WeakPolarHBondContact O-CB 3.39Å; R34-S305 VanDerWaalsContact CB-CB 3.44Å; R34-S305 WeakPolarHBondContact CB-OG 3.4Å; M35-S305 WeakPolarHBondContact CG-O 3.41Å; Y301-S305 WeakPolarHBondContact O-CB 3.03Å; Y301-S305 PolarHBondContact O-N 3.08Å; Y301-S305 PolarHBondContact O-OG 2.62Å; D302-S305 PolarHBondContact O-OG 3.32Å; D303-S305 PolarHBondContact O-N 3.04Å; S305-G309 PolarHBondContact O-N 2.7Å
306	H	84	Confident	84.9	Confident	63 Å²	63	39.6 Å²	39.6	29%	0.292	19%	0.191	S	C	.	.	H	α-helix	trans	-72.1	-46.3	-179.6	178.2	97.3	0	0	0	111.8	D302 D303 C304 L308 G309 V310 R532	D302-H306 PolarHBondContact O-N 3.47Å; D303-H306 PolarHBondContact O-N 3.33Å; C304-H306 PolarHBondContact O-N 2.96Å; H306-L308 VanDerWaalsContact C-N 3.31Å; H306-L308 PolarHBondContact O-N 3.21Å; H306-G309 PolarHBondContact O-N 2.78Å; H306-V310 WeakPolarHBondContact O-CG2 3.32Å; H306-V310 PolarHBondContact O-N 2.85Å; H306-R532 PolarHBondContact CD2-NH1 2.76Å; H306-R532 PolarHBondContact NE2-NH1 3.29Å
307	I	85	Confident	85.1	Confident	20 Å²	20	38 Å²	38	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-42.9	178.5	-67.5	166.6	0	0	0	110.3	V218 A219 Y222 D303 L311	V218-I307 HydrophobicContact CG1-CB 4.19Å; V218-I307 HydrophobicContact CG1-CG2 3.85Å; A219-I307 HydrophobicContact CB-CG2 3.69Å; Y222-I307 HydrophobicContact CD1-CD1 4.43Å; Y222-I307 HydrophobicContact CD2-CD1 3.49Å; Y222-I307 VanDerWaalsContact CD2-CD1 3.49Å; Y222-I307 HydrophobicContact CE2-CD1 4.03Å; Y222-I307 HydrophobicContact CG-CD1 3.72Å; D303-I307 HydrophobicContact CB-CD1 4.31Å; D303-I307 WeakPolarHBondContact O-CB 3.47Å; D303-I307 VanDerWaalsContact O-CG1 3.26Å; D303-I307 WeakPolarHBondContact O-CG1 3.37Å; D303-I307 PolarHBondContact O-N 3.1Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 PolarHBondContact O-N 3.48Å
308	L	89	Confident	84.8	Confident	4 Å²	4	41 Å²	41	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-68.7	-42.6	178.1	-141.4	75	0	0	0	112.3	M35 V66 V90 V218 I271 C304 H306 V310 L311 I312	M35-L308 HydrophobicContact CE-CB 4.21Å; M35-L308 HydrophobicContact CE-CD2 4.26Å; M35-L308 HydrophobicContact SD-CB 4.31Å; M35-L308 HydrophobicContact SD-CD2 4.19Å; V66-L308 HydrophobicContact CG2-CD2 4.2Å; V90-L308 HydrophobicContact CG1-CD1 3.81Å; V90-L308 HydrophobicContact CG1-CD2 4.41Å; V90-L308 HydrophobicContact CG1-CG 4.39Å; V218-L308 HydrophobicContact CG1-CD1 4.32Å; I271-L308 HydrophobicContact CD1-CD1 3.75Å; I271-L308 HydrophobicContact CD1-CD2 4.04Å; I271-L308 HydrophobicContact CG1-CD1 4.14Å; C304-L308 VanDerWaalsContact O-CB 3.29Å; C304-L308 WeakPolarHBondContact O-CB 2.88Å; C304-L308 PolarHBondContact O-N 3.48Å; H306-L308 VanDerWaalsContact C-N 3.31Å; H306-L308 PolarHBondContact O-N 3.21Å; L308-V310 PolarHBondContact O-N 3Å; L308-L311 PolarHBondContact O-N 3.12Å; L308-I312 HydrophobicContact CD2-CD1 4.24Å; L308-I312 HydrophobicContact CG-CD1 3.96Å; L308-I312 WeakPolarHBondContact O-CB 3.39Å; L308-I312 WeakPolarHBondContact O-CD1 3.35Å; L308-I312 VanDerWaalsContact O-CG1 3.23Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 2.94Å
309	G	86	Confident	84.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-44.8	176	0	0	0	0	0	112.6	S305 H306 T313	S305-G309 PolarHBondContact O-N 2.7Å; H306-G309 PolarHBondContact O-N 2.78Å; G309-T313 VanDerWaalsContact O-CB 3.28Å; G309-T313 WeakPolarHBondContact O-CB 3.46Å; G309-T313 PolarHBondContact O-N 3.33Å; G309-T313 PolarHBondContact O-OG1 3.27Å
310	V	82	Confident	83.6	Confident	43 Å²	43	43.4 Å²	43.4	26%	0.261	21%	0.205	S	C	.	.	H	α-helix	trans	-66.6	-47.4	175.6	172.7	0	0	0	0	111.5	F38 H306 L308 I312 T313 R314	F38-V310 HydrophobicContact CE1-CG2 4.19Å; F38-V310 HydrophobicContact CZ-CG2 4.3Å; H306-V310 WeakPolarHBondContact O-CG2 3.32Å; H306-V310 PolarHBondContact O-N 2.85Å; L308-V310 PolarHBondContact O-N 3Å; V310-I312 VanDerWaalsContact C-N 3.34Å; V310-I312 PolarHBondContact O-N 2.88Å; V310-T313 PolarHBondContact O-N 3.36Å; V310-R314 WeakPolarHBondContact O-CB 3.44Å; V310-R314 PolarHBondContact O-N 3.18Å
311	L	85.6	Confident	82.3	Confident	42 Å²	42	45.9 Å²	45.9	22%	0.22	22%	0.222	C	C	.	.	H	α-helix	trans	-55.5	-48.7	178.7	176.2	67.2	0	0	0	111.7	A219 I307 L308 K315	A219-L311 HydrophobicContact CB-CD2 3.97Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 PolarHBondContact O-N 3.48Å; L308-L311 PolarHBondContact O-N 3.12Å; L311-K315 WeakPolarHBondContact O-CB 3.37Å; L311-K315 PolarHBondContact O-N 3.11Å
312	I	88.8	Confident	80.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.9	-51.2	-177.7	-68.3	169.2	0	0	0	110.6	V12 I14 M35 A64 Y88 V90 L308 V310 R314 K315 I316	V12-I312 HydrophobicContact CG1-CG2 4.02Å; I14-I312 HydrophobicContact CD1-CD1 3.78Å; I14-I312 HydrophobicContact CD1-CG2 4Å; I14-I312 HydrophobicContact CG1-CG2 4.23Å; I14-I312 HydrophobicContact CG2-CD1 4.45Å; M35-I312 HydrophobicContact CE-CD1 4.29Å; A64-I312 HydrophobicContact CB-CD1 4.3Å; A64-I312 HydrophobicContact CB-CG1 4.41Å; A64-I312 HydrophobicContact CB-CG2 3.51Å; Y88-I312 HydrophobicContact CD1-CG1 4.23Å; Y88-I312 HydrophobicContact CE1-CG1 4.05Å; V90-I312 HydrophobicContact CG2-CD1 3.73Å; V90-I312 HydrophobicContact CG2-CG1 3.95Å; L308-I312 HydrophobicContact CD2-CD1 4.24Å; L308-I312 HydrophobicContact CG-CD1 3.96Å; L308-I312 WeakPolarHBondContact O-CB 3.39Å; L308-I312 WeakPolarHBondContact O-CD1 3.35Å; L308-I312 VanDerWaalsContact O-CG1 3.23Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 2.94Å; V310-I312 VanDerWaalsContact C-N 3.34Å; V310-I312 PolarHBondContact O-N 2.88Å; I312-R314 VanDerWaalsContact C-N 3.35Å; I312-R314 PolarHBondContact O-N 2.85Å; I312-K315 PolarHBondContact O-N 2.92Å; I312-K315 VanDerWaalsContact O-N 3.1Å; I312-I316 HydrophobicContact CG2-CD1 3.68Å; I312-I316 PolarHBondContact O-N 3.35Å
313	T	84.2	Confident	77.9	Confident	11 Å²	11	54.5 Å²	54.5	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-46	-178.9	-51.2	0	0	0	0	110.7	G309 V310 K315 I316 A317 L320	G309-T313 VanDerWaalsContact O-CB 3.28Å; G309-T313 WeakPolarHBondContact O-CB 3.46Å; G309-T313 PolarHBondContact O-N 3.33Å; G309-T313 PolarHBondContact O-OG1 3.27Å; V310-T313 PolarHBondContact O-N 3.36Å; T313-K315 PolarHBondContact O-N 3.01Å; T313-I316 PolarHBondContact O-N 2.7Å; T313-A317 CarbonylContact O-C 3.5Å; T313-A317 WeakPolarHBondContact O-CA 3.46Å; T313-A317 PolarHBondContact O-N 2.87Å; T313-L320 HydrophobicContact CG2-CB 4.12Å
314	R	82	Confident	75.7	Confident	118 Å²	118	58.9 Å²	58.9	45%	0.445	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-25.9	178.7	-173.6	176.1	179.7	177.8	3.6	113.2	V310 I312 P318 D331	V310-R314 WeakPolarHBondContact O-CB 3.44Å; V310-R314 PolarHBondContact O-N 3.18Å; I312-R314 VanDerWaalsContact C-N 3.35Å; I312-R314 PolarHBondContact O-N 2.85Å; R314-P318 WeakPolarHBondContact O-CG 3.29Å; R314-D331 IonicContact CZ-OD1 2.73Å; R314-D331 IonicContact NH1-OD1 3.04Å; R314-D331 PolarHBondContact NH1-OD1 3.03Å; R314-D331 IonicContact NH2-OD1 3.31Å; R314-D331 PolarHBondContact NH2-OD1 3.21Å; R314-D331 IonicContact NH2-OD2 2.76Å
315	K	86	Confident	73	Confident	145 Å²	145	67 Å²	67	63%	0.63	34%	0.344	S	S	*	.	H	α-helix	trans	-90.7	-31.2	-179.1	-156.6	68.6	-177.3	174.2	0	113.8	Y88 L311 I312 T313	Y88-K315 HydrophobicContact CD2-CG 4.06Å; Y88-K315 HydrophobicContact CE1-CB 4.33Å; Y88-K315 HydrophobicContact CE2-CG 3.9Å; L311-K315 WeakPolarHBondContact O-CB 3.37Å; L311-K315 PolarHBondContact O-N 3.11Å; I312-K315 PolarHBondContact O-N 2.92Å; I312-K315 VanDerWaalsContact O-N 3.1Å; T313-K315 PolarHBondContact O-N 3.01Å
316	I	87.8	Confident	70.3	Confident	55 Å²	55	71.2 Å²	71.2	28%	0.282	37%	0.366	S	S	.	.	H	α-helix	trans	-96.1	-47.4	-177.2	-62.8	174.6	0	0	0	111.5	V12 D63 A64 Y88 I312 T313 P318	V12-I316 HydrophobicContact CG1-CB 4.4Å; V12-I316 HydrophobicContact CG1-CD1 3.82Å; V12-I316 HydrophobicContact CG1-CG2 4.24Å; V12-I316 HydrophobicContact CG2-CG2 4.24Å; D63-I316 HydrophobicContact CB-CD1 3.88Å; D63-I316 HydrophobicContact CB-CG2 3.97Å; D63-I316 WeakPolarHBondContact O-CD1 3.28Å; A64-I316 HydrophobicContact CB-CD1 3.64Å; Y88-I316 HydrophobicContact CD1-CD1 4.43Å; I312-I316 HydrophobicContact CG2-CD1 3.68Å; I312-I316 PolarHBondContact O-N 3.35Å; T313-I316 PolarHBondContact O-N 2.7Å; I316-P318 VanDerWaalsContact C-CD 3.47Å; I316-P318 WeakPolarHBondContact O-CD 3.47Å
317	A	83.8	Confident	67.7	Low	13 Å²	13	72.6 Å²	72.6	11%	0.107	38%	0.38	C	S	.	.			trans	-126.7	67.8	-177.5	0	0	0	0	0	111.4	V10 V12 T313 R319 L320	V10-A317 HydrophobicContact CG1-CB 4.5Å; V12-A317 HydrophobicContact CG2-CB 3.91Å; T313-A317 CarbonylContact O-C 3.5Å; T313-A317 WeakPolarHBondContact O-CA 3.46Å; T313-A317 PolarHBondContact O-N 2.87Å; A317-R319 PolarHBondContact O-N 3.3Å; A317-L320 HydrophobicContact CB-CB 4.34Å; A317-L320 HydrophobicContact CB-CD1 3.75Å; A317-L320 HydrophobicContact CB-CG 4.03Å; A317-L320 PolarHBondContact O-N 3.49Å
318	P	75.2	Confident	65	Low	79 Å²	79	78.6 Å²	78.6	51%	0.513	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-25.3	179.7	-21.6	28.3	0	0	0	114.3	R314 I316 C321	R314-P318 WeakPolarHBondContact O-CG 3.29Å; I316-P318 VanDerWaalsContact C-CD 3.47Å; I316-P318 WeakPolarHBondContact O-CD 3.47Å; P318-C321 CarbonylContact O-C 3.58Å; P318-C321 WeakPolarHBondContact O-CB 3.47Å; P318-C321 PolarHBondContact O-N 2.85Å
319	R	68.6	Low	62.5	Low	208 Å²	208	81.2 Å²	81.2	79%	0.785	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-35.5	178.6	-57.3	177.2	-170.9	151.7	2.3	112.9	A317 C321	A317-R319 PolarHBondContact O-N 3.3Å; R319-C321 VanDerWaalsContact C-N 3.26Å; R319-C321 PolarHBondContact O-N 2.84Å
320	L	67.4	Low	60	Low	31 Å²	31	83.7 Å²	83.7	16%	0.162	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.3	176	-65.1	179	0	0	0	112.2	V10 H40 T313 A317 L322	V10-L320 HydrophobicContact CB-CD1 4.09Å; V10-L320 HydrophobicContact CB-CD2 4.3Å; V10-L320 HydrophobicContact CB-CG 4.49Å; V10-L320 HydrophobicContact CG1-CD1 3.82Å; V10-L320 HydrophobicContact CG1-CG 4.38Å; H40-L320 HydrophobicContact CB-CD1 3.68Å; T313-L320 HydrophobicContact CG2-CB 4.12Å; A317-L320 HydrophobicContact CB-CB 4.34Å; A317-L320 HydrophobicContact CB-CD1 3.75Å; A317-L320 HydrophobicContact CB-CG 4.03Å; A317-L320 PolarHBondContact O-N 3.49Å; L320-L322 PolarHBondContact O-N 2.72Å
321	C	59.4	Low	57.8	Low	51 Å²	51	83.6 Å²	83.6	35%	0.345	46%	0.461	S	S	.	.	S	Bend	trans	-79.2	66.3	163.2	-62.4	0	0	0	0	109.7	P318 R319 P323	P318-C321 CarbonylContact O-C 3.58Å; P318-C321 WeakPolarHBondContact O-CB 3.47Å; P318-C321 PolarHBondContact O-N 2.85Å; R319-C321 VanDerWaalsContact C-N 3.26Å; R319-C321 PolarHBondContact O-N 2.84Å; C321-P323 WeakPolarHBondContact O-CD 3.35Å; C321-P323 VanDerWaalsContact O-N 3.15Å
322	L	42.8	Very low	55.8	Low	144 Å²	144	87.9 Å²	87.9	75%	0.754	49%	0.489	S	S	*	.			trans	-45.5	118.2	-178.9	-85.1	171.1	0	0	0	111.3	L320 T324	L320-L322 PolarHBondContact O-N 2.72Å; L322-T324 PolarHBondContact O-N 3.38Å
323	P	36.7	Very low	53.7	Low	98 Å²	98	90.9 Å²	90.9	64%	0.636	51%	0.505	S	S	*	.			trans	-73.1	113.1	173.2	29.1	-31.8	0	0	0	109.1	C321 N325	C321-P323 WeakPolarHBondContact O-CD 3.35Å; C321-P323 VanDerWaalsContact O-N 3.15Å; P323-N325 PolarHBondContact O-N 2.92Å
324	T	35.2	Very low	52	Low	106 Å²	106	91.4 Å²	91.4	65%	0.65	51%	0.509	S	S	*	.			trans	-55.9	128.1	147.2	38.5	0	0	0	0	107	L322 L326	L322-T324 PolarHBondContact O-N 3.38Å; T324-L326 WeakPolarHBondContact O-CB 3.46Å; T324-L326 PolarHBondContact O-N 3.24Å
325	N	33.5	Very low	50.5	Low	170 Å²	170	86.6 Å²	86.6	91%	0.909	49%	0.492	S	S	*	.	S	Bend	trans	-55.7	96.6	-167.4	-67	-44.4	0	0	0	112.4	P323	P323-N325 PolarHBondContact O-N 2.92Å
326	L	33	Very low	49.1	Very low	95 Å²	95	82.9 Å²	82.9	50%	0.497	48%	0.479	S	S	.	.			trans	-139	134.9	-172.6	-87.1	163.7	0	0	0	109	T324 T330	T324-L326 WeakPolarHBondContact O-CB 3.46Å; T324-L326 PolarHBondContact O-N 3.24Å; L326-T330 WeakPolarHBondContact CB-OG1 3.49Å; L326-T330 HydrophobicContact CD2-CG2 4.11Å
327	P	28.6	Very low	47.8	Very low	91 Å²	91	81 Å²	81	59%	0.591	47%	0.47	S	S	*	.			trans	-61.3	162.5	-172.2	-26.5	35.5	0	0	0	115.4	G329 T330	P327-G329 PolarHBondContact O-N 2.88Å; P327-T330 WeakPolarHBondContact CD-OG1 3.39Å; P327-T330 PolarHBondContact O-N 2.92Å; P327-T330 VanDerWaalsContact O-N 3.14Å; P327-T330 PolarHBondContact O-OG1 2.64Å
328	P	28.8	Very low	46.6	Very low	146 Å²	146	84.6 Å²	84.6	95%	0.948	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	98	169.3	-21.1	33.7	0	0	0	111.3
329	G	36.4	Very low	46.1	Very low	59 Å²	59	81.1 Å²	81.1	61%	0.608	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.2	-26.8	-176.3	0	0	0	0	0	113.7	P327 D331	P327-G329 PolarHBondContact O-N 2.88Å; G329-D331 PolarHBondContact O-N 2.65Å
330	T	33.6	Very low	45.9	Very low	52 Å²	52	72.9 Å²	72.9	32%	0.319	44%	0.442	S	S	.	.			trans	-85.2	97	174.8	23.8	0	0	0	0	111.3	L326 P327	L326-T330 WeakPolarHBondContact CB-OG1 3.49Å; L326-T330 HydrophobicContact CD2-CG2 4.11Å; P327-T330 WeakPolarHBondContact CD-OG1 3.39Å; P327-T330 PolarHBondContact O-N 2.92Å; P327-T330 VanDerWaalsContact O-N 3.14Å; P327-T330 PolarHBondContact O-OG1 2.64Å
331	D	37	Very low	45.7	Very low	41 Å²	41	74.8 Å²	74.8	22%	0.219	46%	0.458	C	S	.	.			trans	-77.3	146.4	175.1	-119.8	-37.7	0	0	0	111.7	R314 G329 D333 T334	R314-D331 IonicContact CZ-OD1 2.73Å; R314-D331 IonicContact NH1-OD1 3.04Å; R314-D331 PolarHBondContact NH1-OD1 3.03Å; R314-D331 IonicContact NH2-OD1 3.31Å; R314-D331 PolarHBondContact NH2-OD1 3.21Å; R314-D331 IonicContact NH2-OD2 2.76Å; G329-D331 PolarHBondContact O-N 2.65Å; D331-D333 PolarHBondContact O-N 3.47Å; D331-D333 VanDerWaalsContact O-N 3.08Å; D331-T334 PolarHBondContact O-N 2.82Å; D331-T334 PolarHBondContact O-OG1 3.31Å
332	V	43.1	Very low	45.7	Very low	133 Å²	133	75 Å²	75	81%	0.806	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.5	-175.6	-176.4	0	0	0	0	112.7	T334	V332-T334 VanDerWaalsContact C-N 3.27Å; V332-T334 PolarHBondContact O-N 2.83Å
333	D	45.3	Very low	46.8	Very low	62 Å²	62	70.1 Å²	70.1	33%	0.332	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	19.8	172.4	-73.9	-82.5	0	0	0	114	D331 P335 R532 R538	D331-D333 PolarHBondContact O-N 3.47Å; D331-D333 VanDerWaalsContact O-N 3.08Å; D333-P335 WeakPolarHBondContact O-CD 3.18Å; D333-R532 IonicContact OD1-CZ 2.86Å; D333-R532 IonicContact OD1-NE 2.77Å; D333-R532 IonicContact OD1-NH2 3.29Å; D333-R532 PolarHBondContact OD1-NH2 2.77Å; D333-R532 IonicContact OD2-NH2 3.85Å; D333-R538 PolarHBondContact O-NH1 3.27Å
334	T	46.9	Very low	48.2	Very low	23 Å²	23	71 Å²	71	14%	0.141	45%	0.447	C	S	.	.			trans	-70.5	126.6	172.4	-45.1	0	0	0	0	109.8	D331 V332 L336 E346 V803	D331-T334 PolarHBondContact O-N 2.82Å; D331-T334 PolarHBondContact O-OG1 3.31Å; V332-T334 VanDerWaalsContact C-N 3.27Å; V332-T334 PolarHBondContact O-N 2.83Å; T334-L336 HydrophobicContact CG2-CD1 4.28Å; T334-L336 HydrophobicContact CG2-CD2 3.94Å; T334-L336 HydrophobicContact CG2-CG 3.61Å; T334-L336 PolarHBondContact O-N 2.95Å; T334-E346 WeakPolarHBondContact CG2-OE2 3.42Å; T334-V803 HydrophobicContact CG2-CB 4.49Å; T334-V803 HydrophobicContact CG2-CG1 3.93Å; T334-V803 HydrophobicContact CG2-CG2 3.7Å; T334-V803 WeakPolarHBondContact OG1-CG1 3.43Å; T334-V803 WeakPolarHBondContact OG1-CG2 3.04Å
335	P	52.4	Low	50.1	Low	16 Å²	16	66.7 Å²	66.7	10%	0.104	42%	0.42	C	S	.	.			trans	-78.2	54.6	177.7	30.5	-29.3	0	0	0	111.5	D333 E346 L347 P516 V810	D333-P335 WeakPolarHBondContact O-CD 3.18Å; P335-E346 HydrophobicContact CG-CG 3.83Å; P335-L347 PolarHBondContact O-N 2.88Å; P335-P516 HydrophobicContact CB-CB 4.21Å; P335-P516 HydrophobicContact CB-CG 3.48Å; P335-P516 VanDerWaalsContact CB-CG 3.48Å; P335-V810 HydrophobicContact CG-CG2 4.39Å
336	L	56.2	Low	52.2	Low	68 Å²	68	58.8 Å²	58.8	36%	0.356	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.1	171.8	-68	179	0	0	0	109.5	T334 I344 M345 E346	T334-L336 HydrophobicContact CG2-CD1 4.28Å; T334-L336 HydrophobicContact CG2-CD2 3.94Å; T334-L336 HydrophobicContact CG2-CG 3.61Å; T334-L336 PolarHBondContact O-N 2.95Å; L336-I344 HydrophobicContact CB-CG2 3.71Å; L336-I344 HydrophobicContact CD1-CG2 4.04Å; L336-I344 HydrophobicContact CD2-CG2 4.3Å; L336-I344 HydrophobicContact CG-CG2 4.21Å; L336-M345 WeakPolarHBondContact CA-O 3.31Å; L336-E346 HydrophobicContact CD2-CB 4.29Å
337	V	60	Low	54.6	Low	16 Å²	16	54.3 Å²	54.3	10%	0.097	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.9	176.6	-126.5	0	0	0	0	108.1	T339 M345 L347 P516 Y867	V337-T339 PolarHBondContact O-N 2.77Å; V337-M345 PolarHBondContact N-O 2.95Å; V337-M345 PolarHBondContact O-N 3.32Å; V337-L347 HydrophobicContact CG2-CB 3.82Å; V337-P516 HydrophobicContact CG1-CB 4.08Å; V337-P516 HydrophobicContact CG2-CB 4.05Å; V337-P516 HydrophobicContact CG2-CG 3.94Å; V337-Y867 HydrophobicContact CB-CE1 4.22Å; V337-Y867 HydrophobicContact CG2-CD1 4.3Å; V337-Y867 HydrophobicContact CG2-CE1 3.84Å
338	P	59.1	Low	57.2	Low	88 Å²	88	50.9 Å²	50.9	57%	0.571	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	121.1	159.1	27.9	-32.6	0	0	0	108.4	A343	P338-A343 CarbonylContact C-O 3.59Å; P338-A343 WeakPolarHBondContact CA-O 3.46Å
339	T	64.8	Low	60	Low	6 Å²	6	43.9 Å²	43.9	4%	0.037	28%	0.284	C	S	.	.			trans	-66.9	168	166.4	63	0	0	0	0	109.7	V337 C341 G342 A343 M345 Y867	V337-T339 PolarHBondContact O-N 2.77Å; T339-C341 PolarHBondContact O-N 3.35Å; T339-C341 PolarHBondContact OG1-SG 3.36Å; T339-G342 WeakPolarHBondContact O-CA 3.33Å; T339-G342 PolarHBondContact O-N 2.67Å; T339-A343 PolarHBondContact N-O 3.17Å; T339-A343 PolarHBondContact OG1-N 2.82Å; T339-A343 PolarHBondContact OG1-O 2.75Å; T339-M345 HydrophobicContact CG2-CB 4.15Å; T339-M345 HydrophobicContact CG2-CG 4.11Å; T339-M345 HydrophobicContact CG2-SD 3.97Å; T339-Y867 HydrophobicContact CG2-CD1 3.89Å; T339-Y867 HydrophobicContact CG2-CD2 4.26Å; T339-Y867 HydrophobicContact CG2-CE1 3.9Å; T339-Y867 HydrophobicContact CG2-CE2 4.29Å; T339-Y867 HydrophobicContact CG2-CG 4.05Å
340	T	62.8	Low	62.6	Low	34 Å²	34	41.1 Å²	41.1	21%	0.209	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.5	175.6	58.5	0	0	0	0	113.8	E883 S905 N1478	T340-E883 WeakPolarHBondContact CB-OE1 3.4Å; T340-E883 WeakPolarHBondContact CG2-OE1 2.97Å; T340-E883 PolarHBondContact N-OE1 3.05Å; T340-E883 PolarHBondContact OG1-OE1 3.09Å; T340-S905 WeakPolarHBondContact CG2-OG 3.45Å; T340-N1478 WeakPolarHBondContact OG1-CB 3.5Å; T340-N1478 PolarHBondContact OG1-ND2 2.93Å
341	C	63.2	Low	65.5	Low	72 Å²	72	38.7 Å²	38.7	49%	0.486	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	2.8	167.1	70.4	0	0	0	0	113.9	T339	T339-C341 PolarHBondContact O-N 3.35Å; T339-C341 PolarHBondContact OG1-SG 3.36Å
342	G	59.6	Low	68.4	Low	55 Å²	55	36.8 Å²	36.8	57%	0.567	23%	0.23	S	C	*	.	S	Bend	trans	85.6	-0.7	175.1	0	0	0	0	0	115.5	T339	T339-G342 WeakPolarHBondContact O-CA 3.33Å; T339-G342 PolarHBondContact O-N 2.67Å
343	A	65.7	Low	71	Confident	41 Å²	41	30.6 Å²	30.6	34%	0.339	19%	0.192	S	C	.	.			trans	-73.8	138.9	174.3	0	0	0	0	0	110.5	P338 T339 M345	P338-A343 CarbonylContact C-O 3.59Å; P338-A343 WeakPolarHBondContact CA-O 3.46Å; T339-A343 PolarHBondContact N-O 3.17Å; T339-A343 PolarHBondContact OG1-N 2.82Å; T339-A343 PolarHBondContact OG1-O 2.75Å; A343-M345 HydrophobicContact CB-CG 4.16Å; A343-M345 HydrophobicContact CB-SD 4.41Å; A343-M345 PolarHBondContact O-N 2.87Å
344	I	67.2	Low	73.4	Confident	118 Å²	118	27.6 Å²	27.6	61%	0.605	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	104.7	177.9	-61.1	179.7	0	0	0	108.2	L336	L336-I344 HydrophobicContact CB-CG2 3.71Å; L336-I344 HydrophobicContact CD1-CG2 4.04Å; L336-I344 HydrophobicContact CD2-CG2 4.3Å; L336-I344 HydrophobicContact CG-CG2 4.21Å
345	M	75.9	Confident	75.8	Confident	15 Å²	15	26.8 Å²	26.8	7%	0.074	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	161.1	-174.8	-58.7	-176	80.7	0	0	111.7	L336 V337 T339 A343 Y867 D869 H881	L336-M345 WeakPolarHBondContact CA-O 3.31Å; V337-M345 PolarHBondContact N-O 2.95Å; V337-M345 PolarHBondContact O-N 3.32Å; T339-M345 HydrophobicContact CG2-CB 4.15Å; T339-M345 HydrophobicContact CG2-CG 4.11Å; T339-M345 HydrophobicContact CG2-SD 3.97Å; A343-M345 HydrophobicContact CB-CG 4.16Å; A343-M345 HydrophobicContact CB-SD 4.41Å; A343-M345 PolarHBondContact O-N 2.87Å; M345-Y867 HydrophobicContact CB-CD1 4.24Å; M345-Y867 HydrophobicContact CB-CG 4.44Å; M345-D869 HydrophobicContact CE-CB 3.84Å; M345-H881 HydrophobicContact CE-CB 3.59Å; M345-H881 HydrophobicContact SD-CB 3.59Å; M345-H881 VanDerWaalsContact SD-CB 3.59Å
346	E	77	Confident	77.8	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.9	179.6	-168.9	173.5	130	0	0	111.6	T334 P335 L336 R348 R808 Y867 E868	T334-E346 WeakPolarHBondContact CG2-OE2 3.42Å; P335-E346 HydrophobicContact CG-CG 3.83Å; L336-E346 HydrophobicContact CD2-CB 4.29Å; E346-R348 PolarHBondContact O-N 3.21Å; E346-R808 VanDerWaalsContact CD-CZ 3.43Å; E346-R808 VanDerWaalsContact CD-NH1 3.31Å; E346-R808 WeakPolarHBondContact OE1-CD 3.26Å; E346-R808 IonicContact OE1-CZ 3.89Å; E346-R808 IonicContact OE1-NE 2.64Å; E346-R808 PolarHBondContact OE1-NE 2.96Å; E346-R808 IonicContact OE1-NH1 3.91Å; E346-R808 PolarHBondContact OE1-NH1 2.94Å; E346-R808 IonicContact OE1-NH2 2.96Å; E346-R808 PolarHBondContact OE1-NH2 3.11Å; E346-R808 IonicContact OE2-CZ 3.88Å; E346-R808 IonicContact OE2-NH1 2.78Å; E346-R808 PolarHBondContact OE2-NH1 3.2Å; E346-R808 IonicContact OE2-NH2 3.83Å; E346-R808 PolarHBondContact OE2-NH2 3.47Å; E346-Y867 CarbonylContact O-C 3.47Å; E346-Y867 WeakPolarHBondContact O-CA 3.49Å; E346-E868 PolarHBondContact N-O 3.36Å; E346-E868 PolarHBondContact O-N 3.06Å
347	L	82.4	Confident	79.5	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	121	176.9	-177.6	64.6	0	0	0	110.9	P335 V337 V350 Y515 V810 M865 Y867	P335-L347 PolarHBondContact O-N 2.88Å; V337-L347 HydrophobicContact CG2-CB 3.82Å; L347-V350 HydrophobicContact CD1-CG2 4Å; L347-V350 HydrophobicContact CD2-CG2 3.81Å; L347-V350 HydrophobicContact CG-CG2 4.2Å; L347-Y515 HydrophobicContact CD2-CD1 3.88Å; L347-Y515 HydrophobicContact CD2-CE1 4.37Å; L347-Y515 HydrophobicContact CD2-CG 4.47Å; L347-V810 HydrophobicContact CD2-CG1 4.39Å; L347-V810 HydrophobicContact CG-CG1 4.27Å; L347-V810 WeakPolarHBondContact O-CG2 3.35Å; L347-M865 HydrophobicContact CD1-CB 4.28Å; L347-M865 HydrophobicContact CD1-CE 3.83Å; L347-M865 HydrophobicContact CD2-CE 4.24Å; L347-Y867 HydrophobicContact CB-CD1 4.32Å; L347-Y867 HydrophobicContact CB-CE1 4.46Å; L347-Y867 HydrophobicContact CD1-CD1 4.18Å; L347-Y867 HydrophobicContact CD1-CE1 4.05Å; L347-Y867 HydrophobicContact CD1-CE2 4.46Å; L347-Y867 HydrophobicContact CD1-CG 4.48Å
348	R	83.3	Confident	81.1	Confident	19 Å²	19	22.3 Å²	22.3	7%	0.072	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-40.2	-178	-53.4	-60.7	-76.9	106.4	18.2	113.3	E346 T775 F809 V810 R811 I866 E868	E346-R348 PolarHBondContact O-N 3.21Å; R348-T775 HydrophobicContact CB-CG2 4.24Å; R348-F809 PolarHBondContact NH1-O 3.16Å; R348-V810 CarbonylContact O-C 3.58Å; R348-V810 WeakPolarHBondContact O-CA 3.08Å; R348-R811 PolarHBondContact O-N 2.69Å; R348-I866 WeakPolarHBondContact CA-O 3.42Å; R348-I866 PolarHBondContact N-O 3.2Å; R348-E868 WeakPolarHBondContact CD-OE2 3.43Å; R348-E868 HydrophobicContact CG-CB 3.4Å; R348-E868 IonicContact CZ-OE2 2.65Å; R348-E868 IonicContact NE-OE2 2.67Å; R348-E868 PolarHBondContact NE-OE2 3.07Å; R348-E868 IonicContact NH2-OE2 2.76Å
349	C	87.8	Confident	82.6	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.2	179.6	-164.9	0	0	0	0	112.8	R811 M865 I866	C349-R811 CarbonylContact C-O 3.58Å; C349-R811 VanDerWaalsContact CA-O 3.27Å; C349-R811 WeakPolarHBondContact CA-O 3.48Å; C349-R811 HydrophobicContact CB-CB 4.42Å; C349-R811 PolarHBondContact SG-O 3Å; C349-M865 WeakPolarHBondContact O-CA 3.14Å; C349-I866 HydrophobicContact CB-CB 4Å; C349-I866 HydrophobicContact CB-CD1 4.03Å; C349-I866 HydrophobicContact CB-CG1 4.15Å; C349-I866 PolarHBondContact N-O 3.25Å; C349-I866 PolarHBondContact O-N 2.59Å
350	V	91.9	Very high	83.8	Confident	0 Å²	0	19 Å²	19	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.4	168	-178.8	0	0	0	0	108.2	L347 I514 Y515 R811 S812 R813 V863 M865	L347-V350 HydrophobicContact CD1-CG2 4Å; L347-V350 HydrophobicContact CD2-CG2 3.81Å; L347-V350 HydrophobicContact CG-CG2 4.2Å; V350-I514 HydrophobicContact CG1-CD1 4Å; V350-Y515 HydrophobicContact CB-CE1 4.28Å; V350-Y515 WeakPolarHBondContact CB-OH 3.21Å; V350-Y515 HydrophobicContact CG2-CD1 4.44Å; V350-Y515 HydrophobicContact CG2-CE1 3.71Å; V350-R811 PolarHBondContact N-O 3.05Å; V350-S812 CarbonylContact O-C 3.55Å; V350-S812 WeakPolarHBondContact O-CA 3.47Å; V350-R813 PolarHBondContact O-N 2.94Å; V350-V863 HydrophobicContact CG1-CG1 4.09Å; V350-M865 HydrophobicContact CG1-CG 4.44Å; V350-M865 HydrophobicContact CG2-CG 4.32Å
351	I	94.8	Very high	85.1	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125	175.8	-53.8	-177.9	0	0	0	107.8	I768 D771 A772 R813 Y815 V863 I864	I351-I768 HydrophobicContact CD1-CG2 3.99Å; I351-I768 HydrophobicContact CG2-CG1 4.13Å; I351-I768 HydrophobicContact CG2-CG2 4.39Å; I351-D771 HydrophobicContact CD1-CB 4.42Å; I351-A772 HydrophobicContact CD1-CB 4.42Å; I351-R813 CarbonylContact C-O 3.59Å; I351-R813 WeakPolarHBondContact CA-O 3.42Å; I351-R813 HydrophobicContact CG1-CB 4.31Å; I351-R813 HydrophobicContact CG2-CB 4.4Å; I351-Y815 HydrophobicContact CG2-CD2 4.28Å; I351-Y815 HydrophobicContact CG2-CE2 3.95Å; I351-V863 CarbonylContact O-C 3.57Å; I351-V863 WeakPolarHBondContact O-CA 3.2Å; I351-I864 HydrophobicContact CB-CB 4.31Å; I351-I864 PolarHBondContact N-O 2.73Å; I351-I864 PolarHBondContact O-N 2.75Å
352	A	96.7	Very high	86.3	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.6	177.3	0	0	0	0	0	111.5	I354 F511 R813 L814 Y815 I862 V863	A352-I354 HydrophobicContact CB-CD1 4.09Å; A352-I354 HydrophobicContact CB-CG1 4.17Å; A352-F511 HydrophobicContact CB-CE1 3.97Å; A352-F511 HydrophobicContact CB-CZ 4.43Å; A352-R813 PolarHBondContact N-O 2.7Å; A352-L814 HydrophobicContact CB-CD2 3.78Å; A352-L814 WeakPolarHBondContact O-CA 3.4Å; A352-Y815 PolarHBondContact O-N 2.74Å; A352-I862 CarbonylContact C-O 3.58Å; A352-I862 WeakPolarHBondContact CA-O 3.29Å; A352-V863 HydrophobicContact CB-CG2 4.08Å
353	V	97	Very high	87.6	Confident	3 Å²	3	16.1 Å²	16.1	2%	0.018	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.9	172.8	-169	0	0	0	0	107.9	L764 I768 Y815 T817 I822 L825 Q861 I862	V353-L764 HydrophobicContact CG1-CD2 3.95Å; V353-L764 HydrophobicContact CG2-CD2 4.29Å; V353-I768 HydrophobicContact CG2-CD1 4.12Å; V353-Y815 WeakPolarHBondContact CA-O 3.38Å; V353-Y815 HydrophobicContact CG2-CD2 4.27Å; V353-T817 HydrophobicContact CG1-CG2 3.83Å; V353-I822 HydrophobicContact CB-CD1 4.28Å; V353-I822 HydrophobicContact CG1-CD1 3.75Å; V353-L825 HydrophobicContact CB-CD2 4.22Å; V353-L825 HydrophobicContact CG1-CD2 4.48Å; V353-L825 HydrophobicContact CG2-CD2 3.78Å; V353-Q861 VanDerWaalsContact O-CA 3.29Å; V353-Q861 WeakPolarHBondContact O-CA 3.22Å; V353-I862 PolarHBondContact N-O 2.61Å; V353-I862 PolarHBondContact O-N 2.72Å
354	I	97.2	Very high	88.8	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.8	-163	-52.3	174	0	0	0	110.3	A352 F511 F558 Y815 F816 T817 L859 A860 Q861	A352-I354 HydrophobicContact CB-CD1 4.09Å; A352-I354 HydrophobicContact CB-CG1 4.17Å; I354-F511 HydrophobicContact CD1-CZ 4.41Å; I354-F558 HydrophobicContact CD1-CD2 4.44Å; I354-F558 HydrophobicContact CD1-CE2 3.9Å; I354-F558 HydrophobicContact CD1-CZ 4.18Å; I354-Y815 PolarHBondContact N-O 2.85Å; I354-F816 HydrophobicContact CB-CD1 4.04Å; I354-F816 HydrophobicContact CB-CE1 3.86Å; I354-F816 HydrophobicContact CB-CZ 4.42Å; I354-F816 HydrophobicContact CD1-CE1 3.97Å; I354-F816 HydrophobicContact CD1-CE2 4.46Å; I354-F816 HydrophobicContact CD1-CZ 3.73Å; I354-F816 HydrophobicContact CG1-CE1 4.49Å; I354-F816 HydrophobicContact CG2-CD1 4.18Å; I354-F816 HydrophobicContact CG2-CE1 3.8Å; I354-F816 WeakPolarHBondContact O-CA 3.4Å; I354-T817 PolarHBondContact O-N 2.88Å; I354-L859 HydrophobicContact CG2-CD2 4.47Å; I354-A860 CarbonylContact C-O 3.51Å; I354-A860 WeakPolarHBondContact CA-O 3.21Å; I354-Q861 HydrophobicContact CG1-CB 4.15Å
355	R	95.8	Very high	89.8	Confident	5 Å²	5	12.4 Å²	12.4	2%	0.019	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	154.2	173.7	-164.3	-179.2	177.2	-150.1	-5.1	110.4	T817 E819 I822 E855 I856 N857 L859 A860	R355-T817 CarbonylContact C-O 3.52Å; R355-T817 WeakPolarHBondContact CA-O 3.4Å; R355-E819 IonicContact CZ-OE2 3.26Å; R355-E819 IonicContact NE-OE2 3.64Å; R355-E819 IonicContact NH2-OE2 3.75Å; R355-E819 PolarHBondContact NH2-OE2 3.34Å; R355-I822 HydrophobicContact CB-CG1 4.16Å; R355-E855 IonicContact NH1-OE1 3.61Å; R355-I856 PolarHBondContact NH1-O 2.99Å; R355-N857 VanDerWaalsContact CD-O 3.28Å; R355-N857 WeakPolarHBondContact CD-O 3.45Å; R355-N857 VanDerWaalsContact NH1-CA 3.32Å; R355-N857 PolarHBondContact NH1-O 2.83Å; R355-L859 WeakPolarHBondContact O-CA 3.34Å; R355-L859 WeakPolarHBondContact O-CD2 3.34Å; R355-A860 HydrophobicContact CB-CB 4.44Å; R355-A860 PolarHBondContact N-O 2.93Å
356	H	94.7	Very high	90.5	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.023	7%	0.074	C	C	.	.			trans	-58.9	158.1	169.6	66.3	62.8	0	0	0	113.3	R550 V551 T817 Y858 L859	H356-R550 HydrophobicContact CB-CG 4.44Å; H356-R550 PolarHBondContact CD2-NE 3.28Å; H356-R550 PolarHBondContact CE1-NE 3.11Å; H356-R550 PolarHBondContact NE2-NE 3.31Å; H356-V551 HydrophobicContact CB-CG2 4.08Å; H356-T817 PolarHBondContact N-O 2.81Å; H356-Y858 AromaticContact CE1-CE1 3.88Å; H356-Y858 AromaticContact ND1-CD1 3.98Å; H356-L859 PolarHBondContact O-N 2.89Å; H356-L859 VanDerWaalsContact O-N 3.1Å
357	G	93.2	Very high	91.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.			trans	-73.8	-176.3	173.1	0	0	0	0	0	113.7	T554	G357-T554 PolarHBondContact N-OG1 2.81Å
358	D	92.5	Very high	91.6	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.011	9%	0.087	C	C	.	.			trans	-58.6	143.5	179.4	173.4	49.4	0	0	0	114.3	L496 T497 H717 Y858	D358-L496 WeakPolarHBondContact O-CD1 3.42Å; D358-T497 PolarHBondContact O-N 3.04Å; D358-T497 PolarHBondContact O-OG1 3.44Å; D358-T497 WeakPolarHBondContact OD2-CB 3.42Å; D358-T497 VanDerWaalsContact OD2-CG2 3.27Å; D358-T497 WeakPolarHBondContact OD2-CG2 3.41Å; D358-T497 PolarHBondContact OD2-OG1 2.9Å; D358-H717 IonicContact OD1-NE2 3.89Å; D358-H717 IonicContact OD2-CD2 2.95Å; D358-H717 IonicContact OD2-CE1 2.82Å; D358-H717 PolarHBondContact OD2-CE1 2.87Å; D358-H717 IonicContact OD2-NE2 2.71Å; D358-H717 PolarHBondContact OD2-NE2 2.87Å; D358-Y858 HydrophobicContact CB-CD2 3.68Å; D358-Y858 HydrophobicContact CB-CE2 3.73Å; D358-Y858 HydrophobicContact CB-CG 4.4Å; D358-Y858 WeakPolarHBondContact OD1-CE2 3.4Å
359	R	91.5	Very high	91.9	Very high	16 Å²	16	18.7 Å²	18.7	6%	0.06	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-149.8	147.3	-167.3	63	92.4	176.5	97	1.9	114.1	E495 R550 D709 Y858	R359-E495 CarbonylContact C-O 3.58Å; R359-E495 WeakPolarHBondContact CA-O 3.4Å; R359-E495 WeakPolarHBondContact CB-O 3.26Å; R359-R550 VanDerWaalsContact CB-CD 3.46Å; R359-D709 IonicContact CZ-OD1 3.62Å; R359-D709 IonicContact CZ-OD2 2.82Å; R359-D709 VanDerWaalsContact CZ-OD2 3.31Å; R359-D709 IonicContact NH1-OD1 2.79Å; R359-D709 PolarHBondContact NH1-OD1 2.9Å; R359-D709 IonicContact NH1-OD2 2.67Å; R359-D709 PolarHBondContact NH1-OD2 2.88Å; R359-D709 IonicContact NH2-OD1 3.78Å; R359-D709 PolarHBondContact NH2-OD1 3.29Å; R359-D709 IonicContact NH2-OD2 2.84Å; R359-D709 PolarHBondContact NH2-OD2 2.8Å; R359-Y858 HydrophobicContact CG-CE1 4.12Å; R359-Y858 PolarHBondContact NH1-OH 2.97Å
360	T	90.4	Very high	91.9	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.043	11%	0.107	C	C	.	.			trans	-63.2	143.5	174.6	59.1	0	0	0	0	111.8	K362 G493 G494 E495 T497 Y673 Y713	T360-K362 PolarHBondContact O-N 2.93Å; T360-G493 WeakPolarHBondContact OG1-CA 3.36Å; T360-G494 WeakPolarHBondContact O-CA 3.45Å; T360-G494 PolarHBondContact O-N 2.96Å; T360-G494 PolarHBondContact OG1-N 3.12Å; T360-E495 PolarHBondContact N-O 3.27Å; T360-E495 PolarHBondContact OG1-N 2.95Å; T360-E495 PolarHBondContact OG1-O 3.42Å; T360-T497 HydrophobicContact CG2-CG2 4.1Å; T360-Y673 HydrophobicContact CG2-CE1 4.16Å; T360-Y713 HydrophobicContact CG2-CE2 3.96Å
361	P	89.8	Confident	91.7	Very high	4 Å²	4	24 Å²	24	3%	0.026	12%	0.116	C	C	.	.			trans	-56.5	137.6	178	-28.5	35.4	0	0	0	113	Q363 Y713	P361-Q363 PolarHBondContact O-N 3.18Å; P361-Y713 VanDerWaalsContact CD-CD1 3.49Å; P361-Y713 HydrophobicContact CG-CD1 3.65Å; P361-Y713 HydrophobicContact CG-CD2 4.34Å; P361-Y713 HydrophobicContact CG-CE1 4.36Å; P361-Y713 HydrophobicContact CG-CG 3.62Å
362	K	87.1	Confident	91.5	Very high	68 Å²	68	30.1 Å²	30.1	30%	0.296	14%	0.144	S	C	.	.			trans	-88.7	106.6	-171.7	-162.1	170.6	-171.6	176.8	0	111.2	T360 E548 A1419	T360-K362 PolarHBondContact O-N 2.93Å; K362-E548 IonicContact NZ-OE2 3.12Å; K362-E548 PolarHBondContact NZ-OE2 2.79Å; K362-A1419 HydrophobicContact CD-CB 4.15Å; K362-A1419 PolarHBondContact NZ-O 3.4Å
363	Q	88.6	Confident	91.3	Very high	30 Å²	30	32.8 Å²	32.8	14%	0.14	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	152.3	-171.8	-62.1	-173.4	60.6	0	0	112.9	P361 K491 W492	P361-Q363 PolarHBondContact O-N 3.18Å; Q363-K491 WeakPolarHBondContact O-CA 3.39Å; Q363-W492 HydrophobicContact CB-CD2 3.69Å; Q363-W492 HydrophobicContact CB-CE3 4.18Å; Q363-W492 HydrophobicContact CB-CG 4.19Å; Q363-W492 HydrophobicContact CB-CH2 4.05Å; Q363-W492 HydrophobicContact CB-CZ2 3.52Å; Q363-W492 HydrophobicContact CB-CZ3 4.34Å; Q363-W492 HydrophobicContact CG-CZ2 4.26Å; Q363-W492 PolarHBondContact N-O 3.43Å; Q363-W492 PolarHBondContact O-N 3.34Å
364	K	89.4	Confident	91.1	Very high	65 Å²	65	32.7 Å²	32.7	28%	0.283	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	125.2	-175.3	65.7	-151.3	178.4	-138.2	0	111.1	K491 K687 D706 S1417	K364-K491 HydrophobicContact CB-CG 4.49Å; K364-K687 PolarHBondContact O-NZ 2.79Å; K364-D706 IonicContact NZ-OD2 3.44Å; K364-D706 PolarHBondContact NZ-OD2 3.07Å; K364-S1417 PolarHBondContact NZ-OG 3.24Å
365	M	89.1	Confident	90.8	Very high	15 Å²	15	34.1 Å²	34.1	7%	0.074	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	162.4	170.7	78.4	-176.5	-66.8	0	0	112	M367 K427 Q430 L431 A490 W492	M365-M367 HydrophobicContact CE-CE 4.35Å; M365-K427 HydrophobicContact CE-CB 4.02Å; M365-K427 WeakPolarHBondContact CE-O 3.47Å; M365-Q430 HydrophobicContact CE-CB 3.97Å; M365-Q430 HydrophobicContact CE-CG 4.12Å; M365-Q430 HydrophobicContact SD-CB 4.38Å; M365-Q430 HydrophobicContact SD-CG 4.01Å; M365-L431 HydrophobicContact SD-CB 4.41Å; M365-A490 HydrophobicContact CG-CB 3.93Å; M365-A490 PolarHBondContact N-O 2.87Å; M365-A490 PolarHBondContact O-N 2.84Å; M365-A490 HydrophobicContact SD-CB 4.29Å; M365-W492 HydrophobicContact CB-CH2 4.01Å; M365-W492 HydrophobicContact CB-CZ3 3.9Å; M365-W492 HydrophobicContact CG-CH2 4.29Å; M365-W492 HydrophobicContact CG-CZ3 3.82Å; M365-W492 HydrophobicContact SD-CH2 4.36Å; M365-W492 HydrophobicContact SD-CZ3 4.14Å
366	K	91.2	Very high	90.6	Very high	107 Å²	107	37 Å²	37	47%	0.465	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.9	175.4	-66.2	-175.1	-175.5	174.1	0	110.9	K427 L487 V488 V489	K366-K427 PolarHBondContact O-NZ 3.45Å; K366-L487 HydrophobicContact CB-CD1 4.15Å; K366-V488 WeakPolarHBondContact CA-O 3.44Å; K366-V489 HydrophobicContact CG-CG2 4.34Å
367	M	91.3	Very high	90.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140	164.2	58.5	-174.8	155.7	0	0	110.9	M365 V369 K427 F428 L431 V488	M365-M367 HydrophobicContact CE-CE 4.35Å; M367-V369 HydrophobicContact CG-CG1 4.12Å; M367-V369 HydrophobicContact SD-CG1 4.31Å; M367-K427 HydrophobicContact CB-CB 4.31Å; M367-K427 HydrophobicContact CB-CD 3.59Å; M367-K427 HydrophobicContact SD-CB 3.54Å; M367-K427 VanDerWaalsContact SD-CB 3.54Å; M367-F428 HydrophobicContact CE-CD1 3.86Å; M367-F428 HydrophobicContact CE-CE1 4.04Å; M367-F428 HydrophobicContact SD-CD1 4.1Å; M367-F428 HydrophobicContact SD-CE1 4.08Å; M367-L431 HydrophobicContact CE-CB 3.69Å; M367-L431 HydrophobicContact CE-CD2 3.32Å; M367-L431 HydrophobicContact CE-CG 4.1Å; M367-V488 HydrophobicContact CE-CG1 4.41Å; M367-V488 HydrophobicContact CG-CB 3.86Å; M367-V488 HydrophobicContact CG-CG2 4.16Å; M367-V488 PolarHBondContact N-O 2.81Å; M367-V488 WeakPolarHBondContact O-CB 3.49Å; M367-V488 PolarHBondContact O-N 3.4Å
368	E	89.6	Confident	90.5	Very high	61 Å²	61	37.5 Å²	37.5	29%	0.285	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	142	160.9	-67	100.8	-125.3	0	0	109	Y465 L486 L487	E368-Y465 PolarHBondContact OE1-OH 3.06Å; E368-L486 CarbonylContact C-O 3.49Å; E368-L486 WeakPolarHBondContact CA-O 3.11Å; E368-L487 HydrophobicContact CG-CD1 4.23Å
369	V	90.3	Very high	90.3	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	137.4	173.1	-58	0	0	0	0	109.5	M367 F374 I424 F428 L486 V488	M367-V369 HydrophobicContact CG-CG1 4.12Å; M367-V369 HydrophobicContact SD-CG1 4.31Å; V369-F374 HydrophobicContact CB-CD2 4.41Å; V369-F374 HydrophobicContact CG2-CB 3.75Å; V369-F374 HydrophobicContact CG2-CD1 4.11Å; V369-F374 HydrophobicContact CG2-CD2 3.94Å; V369-F374 HydrophobicContact CG2-CG 3.67Å; V369-I424 HydrophobicContact CG1-CD1 4.34Å; V369-F428 HydrophobicContact CG1-CE1 3.94Å; V369-F428 HydrophobicContact CG1-CZ 3.68Å; V369-L486 HydrophobicContact CG2-CB 3.91Å; V369-L486 PolarHBondContact N-O 2.85Å; V369-L486 PolarHBondContact O-N 3.1Å; V369-V488 HydrophobicContact CB-CG2 4.42Å; V369-V488 HydrophobicContact CG1-CG2 3.84Å; V369-V488 HydrophobicContact CG2-CG2 3.67Å
370	C	87.6	Confident	90.2	Very high	72 Å²	72	46.7 Å²	46.7	49%	0.486	23%	0.233	S	C	.	.			trans	-108.6	2.9	173.1	-56	0	0	0	0	112.1	F375	C370-F375 WeakPolarHBondContact O-CE2 3.43Å
371	H	88.4	Confident	90.2	Very high	39 Å²	39	50.2 Å²	50.2	18%	0.181	25%	0.246	C	C	.	.			trans	-70.7	129.6	-172	-166.8	-86.1	0	0	0	112.8	K373 F374 I407 L421	H371-K373 VanDerWaalsContact C-N 3.28Å; H371-K373 VanDerWaalsContact CE1-CD 3.47Å; H371-K373 WeakPolarHBondContact CE1-CD 3.29Å; H371-K373 PolarHBondContact ND1-N 2.69Å; H371-K373 PolarHBondContact O-N 3.2Å; H371-K373 VanDerWaalsContact O-N 3.12Å; H371-F374 HydrophobicContact CB-CD2 4.49Å; H371-F374 WeakPolarHBondContact O-CB 3.37Å; H371-F374 PolarHBondContact O-N 3.15Å; H371-I407 HydrophobicContact CB-CD1 4.19Å; H371-L421 HydrophobicContact CB-CD2 4.48Å
372	Q	89.5	Confident	89.8	Confident	130 Å²	130	51 Å²	51	61%	0.607	25%	0.254	S	S	*	.	H	α-helix	trans	-55.5	-37	-171.7	-172.9	62.2	7.5	0	0	114	F374 F375 S376	Q372-F374 PolarHBondContact O-N 3.4Å; Q372-F375 PolarHBondContact O-N 3.07Å; Q372-S376 PolarHBondContact O-N 2.88Å; Q372-S376 PolarHBondContact O-OG 2.65Å
373	K	92.6	Very high	88.7	Confident	57 Å²	57	49.8 Å²	49.8	25%	0.248	26%	0.26	C	S	.	.	H	α-helix	trans	-54.1	-37.7	175.1	-65.6	170	-169.7	163.9	0	112.9	H371 F377 I403 S406 I407 E410	H371-K373 VanDerWaalsContact C-N 3.28Å; H371-K373 VanDerWaalsContact CE1-CD 3.47Å; H371-K373 WeakPolarHBondContact CE1-CD 3.29Å; H371-K373 PolarHBondContact ND1-N 2.69Å; H371-K373 PolarHBondContact O-N 3.2Å; H371-K373 VanDerWaalsContact O-N 3.12Å; K373-F377 WeakPolarHBondContact O-CB 3.24Å; K373-F377 PolarHBondContact O-N 2.82Å; K373-I403 HydrophobicContact CB-CD1 4.5Å; K373-I403 HydrophobicContact CB-CG1 4.24Å; K373-I403 HydrophobicContact CB-CG2 3.73Å; K373-I403 HydrophobicContact CD-CG2 4.43Å; K373-S406 PolarHBondContact NZ-OG 2.95Å; K373-I407 HydrophobicContact CD-CG1 4.27Å; K373-E410 IonicContact NZ-OE1 3.22Å; K373-E410 PolarHBondContact NZ-OE1 2.63Å; K373-E410 IonicContact NZ-OE2 2.92Å; K373-E410 PolarHBondContact NZ-OE2 3.48Å
374	F	92.6	Very high	87.4	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-72.7	-34.2	176.2	-85.7	-85.1	0	0	0	112.7	V369 H371 Q372 F378 I400 I403 V404 I407 F428 L450 L486 V488	V369-F374 HydrophobicContact CB-CD2 4.41Å; V369-F374 HydrophobicContact CG2-CB 3.75Å; V369-F374 HydrophobicContact CG2-CD1 4.11Å; V369-F374 HydrophobicContact CG2-CD2 3.94Å; V369-F374 HydrophobicContact CG2-CG 3.67Å; H371-F374 HydrophobicContact CB-CD2 4.49Å; H371-F374 WeakPolarHBondContact O-CB 3.37Å; H371-F374 PolarHBondContact O-N 3.15Å; Q372-F374 PolarHBondContact O-N 3.4Å; F374-F378 WeakPolarHBondContact O-CB 3.4Å; F374-F378 PolarHBondContact O-N 2.89Å; F374-I400 HydrophobicContact CE1-CG2 4.15Å; F374-I400 HydrophobicContact CZ-CG2 4.35Å; F374-I403 HydrophobicContact CD2-CG2 3.86Å; F374-I403 HydrophobicContact CE2-CG2 3.64Å; F374-I403 HydrophobicContact CZ-CG2 4.13Å; F374-V404 HydrophobicContact CE2-CG2 4.46Å; F374-V404 HydrophobicContact CZ-CG2 3.9Å; F374-I407 HydrophobicContact CD2-CD1 4.05Å; F374-I407 HydrophobicContact CE2-CD1 3.8Å; F374-F428 AromaticContact CE2-CE1 3.67Å; F374-F428 HydrophobicContact CE2-CE1 3.67Å; F374-F428 HydrophobicContact CE2-CZ 4.23Å; F374-F428 HydrophobicContact CZ-CE1 4.08Å; F374-L450 HydrophobicContact CD1-CD2 4.42Å; F374-L486 HydrophobicContact CB-CD1 4.04Å; F374-L486 WeakPolarHBondContact O-CD1 3.24Å; F374-V488 HydrophobicContact CD1-CG2 4.38Å; F374-V488 HydrophobicContact CE1-CG2 4.19Å
375	F	90.9	Very high	85.9	Confident	30 Å²	30	61 Å²	61	13%	0.132	32%	0.323	C	S	.	.	H	α-helix	trans	-67.8	-45.4	172.5	-75.9	-68.9	0	0	0	112	C370 Q372 F377 F378 T379 Y452 P484 L486	C370-F375 WeakPolarHBondContact O-CE2 3.43Å; Q372-F375 PolarHBondContact O-N 3.07Å; F375-F377 VanDerWaalsContact C-N 3.32Å; F375-F377 PolarHBondContact O-N 2.85Å; F375-F378 PolarHBondContact O-N 2.85Å; F375-F378 VanDerWaalsContact O-N 3.13Å; F375-T379 PolarHBondContact O-N 3.42Å; F375-T379 PolarHBondContact O-OG1 3.12Å; F375-T379 VanDerWaalsContact O-OG1 3.13Å; F375-Y452 HydrophobicContact CE1-CD2 4.06Å; F375-Y452 AromaticContact CE1-CE2 3.91Å; F375-Y452 HydrophobicContact CE1-CE2 3.91Å; F375-P484 WeakPolarHBondContact CZ-O 3.39Å; F375-L486 HydrophobicContact CD1-CD1 3.54Å; F375-L486 HydrophobicContact CD1-CG 3.91Å; F375-L486 HydrophobicContact CE1-CD1 3.81Å; F375-L486 HydrophobicContact CE1-CG 3.65Å; F375-L486 HydrophobicContact CG-CD1 3.94Å; F375-L486 HydrophobicContact CZ-CD1 4.43Å; F375-L486 HydrophobicContact CZ-CG 4.21Å
376	S	92	Very high	85	Confident	66 Å²	66	62 Å²	62	46%	0.462	34%	0.335	S	S	.	.	H	α-helix	trans	-56.6	-46.3	173.8	-60.1	0	0	0	0	111.5	Q372 K380	Q372-S376 PolarHBondContact O-N 2.88Å; Q372-S376 PolarHBondContact O-OG 2.65Å; S376-K380 WeakPolarHBondContact O-CB 3.48Å; S376-K380 PolarHBondContact O-N 2.7Å
377	F	93.4	Very high	84.6	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.009	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-43.4	174.4	-177.6	-79.3	0	0	0	112.5	K373 F375 K380 Y381 L389 I391 Q396 E399 I400 I403 L450	K373-F377 WeakPolarHBondContact O-CB 3.24Å; K373-F377 PolarHBondContact O-N 2.82Å; F375-F377 VanDerWaalsContact C-N 3.32Å; F375-F377 PolarHBondContact O-N 2.85Å; F377-K380 PolarHBondContact O-N 2.65Å; F377-Y381 HydrophobicContact CD1-CD2 4.21Å; F377-Y381 HydrophobicContact CD2-CD2 4.05Å; F377-Y381 HydrophobicContact CD2-CE2 4.01Å; F377-Y381 AromaticContact CE1-CD2 3.77Å; F377-Y381 HydrophobicContact CE1-CD2 3.77Å; F377-Y381 HydrophobicContact CE1-CE2 4.47Å; F377-Y381 AromaticContact CE2-CD2 3.64Å; F377-Y381 HydrophobicContact CE2-CD2 3.64Å; F377-Y381 AromaticContact CE2-CE2 3.5Å; F377-Y381 HydrophobicContact CE2-CE2 3.5Å; F377-Y381 HydrophobicContact CG-CD2 4.31Å; F377-Y381 AromaticContact CZ-CD2 3.49Å; F377-Y381 HydrophobicContact CZ-CD2 3.49Å; F377-Y381 VanDerWaalsContact CZ-CD2 3.49Å; F377-Y381 AromaticContact CZ-CE2 3.77Å; F377-Y381 HydrophobicContact CZ-CE2 3.77Å; F377-Y381 PolarHBondContact O-N 2.68Å; F377-L389 HydrophobicContact CD1-CD2 4.25Å; F377-L389 HydrophobicContact CE1-CD2 3.86Å; F377-I391 HydrophobicContact CD1-CD1 4.45Å; F377-I391 HydrophobicContact CE1-CD1 3.46Å; F377-I391 VanDerWaalsContact CE1-CD1 3.46Å; F377-I391 HydrophobicContact CE1-CG1 4.33Å; F377-I391 HydrophobicContact CZ-CD1 3.99Å; F377-Q396 HydrophobicContact CZ-CB 4.21Å; F377-E399 HydrophobicContact CD2-CB 4.42Å; F377-E399 HydrophobicContact CD2-CG 3.82Å; F377-E399 HydrophobicContact CE2-CB 3.97Å; F377-E399 HydrophobicContact CE2-CG 3.86Å; F377-I400 HydrophobicContact CD1-CD1 4.13Å; F377-I400 HydrophobicContact CD1-CG1 4.24Å; F377-I400 HydrophobicContact CD2-CG1 4.09Å; F377-I400 HydrophobicContact CE1-CD1 3.76Å; F377-I400 HydrophobicContact CE1-CG1 4.02Å; F377-I400 HydrophobicContact CE2-CD1 4.45Å; F377-I400 HydrophobicContact CE2-CG1 3.81Å; F377-I400 HydrophobicContact CG-CG1 4.3Å; F377-I400 HydrophobicContact CZ-CD1 3.92Å; F377-I400 HydrophobicContact CZ-CG1 3.77Å; F377-I403 HydrophobicContact CB-CD1 3.89Å; F377-I403 HydrophobicContact CD2-CD1 3.96Å; F377-I403 HydrophobicContact CG-CD1 4.22Å; F377-L450 HydrophobicContact CD1-CD1 3.95Å; F377-L450 HydrophobicContact CE1-CD1 4.34Å
378	F	91.7	Very high	84.4	Confident	13 Å²	13	68.5 Å²	68.5	6%	0.057	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-52.6	179	-174.9	-95.4	0	0	0	111	F374 F375 K380 Y381 A382 A386 L389 L450 L486	F374-F378 WeakPolarHBondContact O-CB 3.4Å; F374-F378 PolarHBondContact O-N 2.89Å; F375-F378 PolarHBondContact O-N 2.85Å; F375-F378 VanDerWaalsContact O-N 3.13Å; F378-K380 VanDerWaalsContact C-N 3.31Å; F378-K380 PolarHBondContact O-N 2.75Å; F378-Y381 PolarHBondContact O-N 2.94Å; F378-A382 HydrophobicContact CD1-CB 4.06Å; F378-A382 HydrophobicContact CD2-CB 4.3Å; F378-A382 HydrophobicContact CE1-CB 3.82Å; F378-A382 HydrophobicContact CE2-CB 4.1Å; F378-A382 HydrophobicContact CG-CB 4.29Å; F378-A382 HydrophobicContact CZ-CB 3.85Å; F378-A382 WeakPolarHBondContact O-CB 3.42Å; F378-A382 PolarHBondContact O-N 3.3Å; F378-A386 WeakPolarHBondContact CE1-O 3.41Å; F378-A386 VanDerWaalsContact CZ-O 3.28Å; F378-A386 WeakPolarHBondContact CZ-O 3.3Å; F378-L389 HydrophobicContact CD2-CB 3.85Å; F378-L389 HydrophobicContact CD2-CD2 4.27Å; F378-L389 HydrophobicContact CE2-CB 3.65Å; F378-L450 HydrophobicContact CB-CD1 4.38Å; F378-L450 HydrophobicContact CD2-CB 3.73Å; F378-L450 HydrophobicContact CD2-CD1 4.07Å; F378-L450 HydrophobicContact CE2-CB 4.03Å; F378-L486 HydrophobicContact CB-CD1 3.87Å; F378-L486 HydrophobicContact CB-CD2 4.22Å; F378-L486 HydrophobicContact CD1-CD2 4.22Å; F378-L486 HydrophobicContact CD2-CD2 3.62Å; F378-L486 HydrophobicContact CE2-CD2 3.97Å; F378-L486 HydrophobicContact CG-CD1 4.33Å; F378-L486 HydrophobicContact CG-CD2 3.76Å; F378-L486 HydrophobicContact CZ-CD2 4.42Å
379	T	88.4	Confident	84.4	Confident	95 Å²	95	66.3 Å²	66.3	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-59.1	-40.8	178.8	-58.3	0	0	0	0	112	F375 Y381	F375-T379 PolarHBondContact O-N 3.42Å; F375-T379 PolarHBondContact O-OG1 3.12Å; F375-T379 VanDerWaalsContact O-OG1 3.13Å; T379-Y381 VanDerWaalsContact C-N 3.28Å; T379-Y381 PolarHBondContact O-N 3.41Å
380	K	91.1	Very high	84.3	Confident	117 Å²	117	70 Å²	70	51%	0.509	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-34	176.8	-179.3	-172.9	-178.8	-164	0	113.8	S376 F377 F378 E399	S376-K380 WeakPolarHBondContact O-CB 3.48Å; S376-K380 PolarHBondContact O-N 2.7Å; F377-K380 PolarHBondContact O-N 2.65Å; F378-K380 VanDerWaalsContact C-N 3.31Å; F378-K380 PolarHBondContact O-N 2.75Å; K380-E399 IonicContact NZ-OE1 3.82Å; K380-E399 PolarHBondContact NZ-OE1 3.41Å; K380-E399 IonicContact NZ-OE2 3.65Å; K380-E399 PolarHBondContact NZ-OE2 3.43Å
381	Y	89.3	Confident	84.3	Confident	81 Å²	81	66.6 Å²	66.6	32%	0.318	34%	0.341	S	S	.	.	H	α-helix	trans	-119.8	-17.3	-170.4	-74.3	-60.1	0	0	0	116.1	F377 F378 T379 Q396 E399	F377-Y381 HydrophobicContact CD1-CD2 4.21Å; F377-Y381 HydrophobicContact CD2-CD2 4.05Å; F377-Y381 HydrophobicContact CD2-CE2 4.01Å; F377-Y381 AromaticContact CE1-CD2 3.77Å; F377-Y381 HydrophobicContact CE1-CD2 3.77Å; F377-Y381 HydrophobicContact CE1-CE2 4.47Å; F377-Y381 AromaticContact CE2-CD2 3.64Å; F377-Y381 HydrophobicContact CE2-CD2 3.64Å; F377-Y381 AromaticContact CE2-CE2 3.5Å; F377-Y381 HydrophobicContact CE2-CE2 3.5Å; F377-Y381 HydrophobicContact CG-CD2 4.31Å; F377-Y381 AromaticContact CZ-CD2 3.49Å; F377-Y381 HydrophobicContact CZ-CD2 3.49Å; F377-Y381 VanDerWaalsContact CZ-CD2 3.49Å; F377-Y381 AromaticContact CZ-CE2 3.77Å; F377-Y381 HydrophobicContact CZ-CE2 3.77Å; F377-Y381 PolarHBondContact O-N 2.68Å; F378-Y381 PolarHBondContact O-N 2.94Å; T379-Y381 VanDerWaalsContact C-N 3.28Å; T379-Y381 PolarHBondContact O-N 3.41Å; Y381-Q396 HydrophobicContact CE1-CG 4.26Å; Y381-Q396 HydrophobicContact CE2-CG 4.31Å; Y381-E399 WeakPolarHBondContact CE2-OE2 3.36Å; Y381-E399 PolarHBondContact OH-OE2 3.47Å; Y381-E399 VanDerWaalsContact OH-OE2 3.1Å
382	A	81.1	Confident	83.9	Confident	21 Å²	21	72 Å²	72	17%	0.174	36%	0.364	C	S	.	.	H	α-helix	trans	-86.7	-27.5	179.8	0	0	0	0	0	112.7	F378 A386 L389	F378-A382 HydrophobicContact CD1-CB 4.06Å; F378-A382 HydrophobicContact CD2-CB 4.3Å; F378-A382 HydrophobicContact CE1-CB 3.82Å; F378-A382 HydrophobicContact CE2-CB 4.1Å; F378-A382 HydrophobicContact CG-CB 4.29Å; F378-A382 HydrophobicContact CZ-CB 3.85Å; F378-A382 WeakPolarHBondContact O-CB 3.42Å; F378-A382 PolarHBondContact O-N 3.3Å; A382-A386 HydrophobicContact CB-CB 4.12Å; A382-A386 VanDerWaalsContact O-CB 3.24Å; A382-A386 WeakPolarHBondContact O-CB 3.14Å; A382-L389 HydrophobicContact CB-CB 4.16Å; A382-L389 HydrophobicContact CB-CD2 4.48Å
383	G	63.8	Low	83.5	Confident	41 Å²	41	73.7 Å²	73.7	42%	0.423	37%	0.365	S	S	.	.			trans	73	151	-163.7	0	0	0	0	0	111.6	W385 A386	G383-W385 PolarHBondContact O-N 2.99Å; G383-A386 PolarHBondContact O-N 3.03Å
384	G	61.2	Low	82.8	Confident	78 Å²	78	74.2 Å²	74.2	80%	0.804	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-1	-165.7	0	0	0	0	0	117.8
385	W	59.8	Low	82.5	Confident	252 Å²	252	78.3 Å²	78.3	96%	0.955	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-13.5	-174.1	-56.3	83.1	0	0	0	113.7	G383	G383-W385 PolarHBondContact O-N 2.99Å
386	A	69.4	Low	82.5	Confident	38 Å²	38	77.7 Å²	77.7	31%	0.314	40%	0.397	S	S	.	.			trans	-84.8	131.3	-170.5	0	0	0	0	0	112.9	F378 A382 G383	F378-A386 WeakPolarHBondContact CE1-O 3.41Å; F378-A386 VanDerWaalsContact CZ-O 3.28Å; F378-A386 WeakPolarHBondContact CZ-O 3.3Å; A382-A386 HydrophobicContact CB-CB 4.12Å; A382-A386 VanDerWaalsContact O-CB 3.24Å; A382-A386 WeakPolarHBondContact O-CB 3.14Å; G383-A386 PolarHBondContact O-N 3.03Å
387	R	82.3	Confident	82.3	Confident	199 Å²	199	74.6 Å²	74.6	75%	0.751	38%	0.375	S	S	*	.	S	Bend	trans	-84.7	-9.4	175.6	-65.1	-172.8	179.3	-167.9	0	114.3	K451 Y452	R387-K451 WeakPolarHBondContact O-CA 3.31Å; R387-Y452 PolarHBondContact O-N 3.45Å
388	E	87.2	Confident	82.2	Confident	44 Å²	44	77.7 Å²	77.7	21%	0.206	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	131.4	-177	176.2	173.8	128.7	0	0	111.2	K390 Q449 L450 K451	E388-K390 HydrophobicContact CG-CG 4.35Å; E388-K390 WeakPolarHBondContact OE1-CE 3.09Å; E388-Q449 HydrophobicContact CG-CG 3.95Å; E388-Q449 PolarHBondContact OE1-NE2 3.05Å; E388-Q449 PolarHBondContact OE2-NE2 3.03Å; E388-L450 CarbonylContact C-O 3.52Å; E388-L450 WeakPolarHBondContact CA-O 3.36Å; E388-K451 HydrophobicContact CB-CG 4.41Å; E388-K451 HydrophobicContact CG-CG 4.22Å; E388-K451 WeakPolarHBondContact OE2-CE 3.14Å; E388-K451 IonicContact OE2-NZ 3.98Å; E388-K451 PolarHBondContact OE2-NZ 3.29Å
389	L	89.9	Confident	82.3	Confident	15 Å²	15	79.7 Å²	79.7	8%	0.079	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.5	173.2	175.5	59.8	0	0	0	109.6	F377 F378 A382 I391 Q449 L450	F377-L389 HydrophobicContact CD1-CD2 4.25Å; F377-L389 HydrophobicContact CE1-CD2 3.86Å; F378-L389 HydrophobicContact CD2-CB 3.85Å; F378-L389 HydrophobicContact CD2-CD2 4.27Å; F378-L389 HydrophobicContact CE2-CB 3.65Å; A382-L389 HydrophobicContact CB-CB 4.16Å; A382-L389 HydrophobicContact CB-CD2 4.48Å; L389-I391 HydrophobicContact CD2-CD1 4.28Å; L389-I391 HydrophobicContact CD2-CG1 4.27Å; L389-I391 HydrophobicContact CG-CD1 4.38Å; L389-I391 HydrophobicContact CG-CG1 3.93Å; L389-Q449 CarbonylContact O-C 3.59Å; L389-Q449 VanDerWaalsContact O-CA 3.29Å; L389-Q449 WeakPolarHBondContact O-CA 3.29Å; L389-L450 HydrophobicContact CB-CB 4.38Å; L389-L450 HydrophobicContact CD2-CD1 4.39Å; L389-L450 PolarHBondContact N-O 3.05Å; L389-L450 PolarHBondContact O-N 3.1Å
390	K	87.6	Confident	82.5	Confident	80 Å²	80	75.1 Å²	75.1	35%	0.348	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.8	179.8	-61.1	172.5	-168.8	167.7	0	109.5	E388 Q449 R1422	E388-K390 HydrophobicContact CG-CG 4.35Å; E388-K390 WeakPolarHBondContact OE1-CE 3.09Å; K390-Q449 HydrophobicContact CG-CG 4.48Å; K390-R1422 PolarHBondContact NZ-O 2.85Å
391	I	87.9	Confident	82.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.2	-170.1	-50.1	169	0	0	0	109.8	F377 L389 Q396 L397 I400 K447 I448 L450	F377-I391 HydrophobicContact CD1-CD1 4.45Å; F377-I391 HydrophobicContact CE1-CD1 3.46Å; F377-I391 VanDerWaalsContact CE1-CD1 3.46Å; F377-I391 HydrophobicContact CE1-CG1 4.33Å; F377-I391 HydrophobicContact CZ-CD1 3.99Å; L389-I391 HydrophobicContact CD2-CD1 4.28Å; L389-I391 HydrophobicContact CD2-CG1 4.27Å; L389-I391 HydrophobicContact CG-CD1 4.38Å; L389-I391 HydrophobicContact CG-CG1 3.93Å; I391-Q396 HydrophobicContact CG2-CB 3.59Å; I391-L397 HydrophobicContact CG2-CD2 3.84Å; I391-L397 HydrophobicContact CG2-CG 4.18Å; I391-I400 HydrophobicContact CD1-CD1 3.35Å; I391-K447 WeakPolarHBondContact O-CG 3.47Å; I391-I448 HydrophobicContact CB-CB 4.21Å; I391-I448 HydrophobicContact CD1-CB 4.19Å; I391-I448 HydrophobicContact CD1-CG2 3.99Å; I391-I448 PolarHBondContact N-O 2.84Å; I391-I448 PolarHBondContact O-N 2.86Å; I391-L450 HydrophobicContact CD1-CD1 4.19Å; I391-L450 HydrophobicContact CD1-CG 4.09Å
392	K	81.1	Confident	82.9	Confident	153 Å²	153	69.1 Å²	69.1	67%	0.665	35%	0.35	S	S	*	.			trans	-140.7	-20	177.4	-71.8	-171.4	175.9	-172.5	0	114.1	K447	K392-K447 HydrophobicContact CG-CG 4.29Å
393	R	80.2	Confident	83.6	Confident	165 Å²	165	69 Å²	69	62%	0.623	35%	0.346	S	S	*	.			trans	-73.6	137.9	-171.8	-64.1	179.6	172.7	171.2	-1.6	110.2	T395 Q396 L397	R393-T395 VanDerWaalsContact C-N 3.32Å; R393-T395 PolarHBondContact O-N 3.47Å; R393-Q396 HydrophobicContact CB-CB 4.34Å; R393-Q396 HydrophobicContact CB-CG 4.16Å; R393-Q396 PolarHBondContact O-N 2.97Å; R393-Q396 VanDerWaalsContact O-N 3.08Å; R393-L397 PolarHBondContact O-N 3.22Å
394	P	78.9	Confident	85	Confident	68 Å²	68	67.1 Å²	67.1	44%	0.442	33%	0.326	S	S	.	.	H	α-helix	trans	-47.7	-49.7	179.1	-30.9	34.8	0	0	0	113.8	Q396 L397 Q398 F441 I444	P394-Q396 PolarHBondContact O-N 3.33Å; P394-L397 PolarHBondContact O-N 2.71Å; P394-Q398 PolarHBondContact O-N 3.27Å; P394-F441 HydrophobicContact CB-CB 3.76Å; P394-F441 HydrophobicContact CG-CB 4.42Å; P394-I444 HydrophobicContact CG-CD1 4.27Å
395	T	86.2	Confident	86.7	Confident	86 Å²	86	67 Å²	67	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-36.5	-179.1	52.5	0	0	0	0	113.7	R393 E399	R393-T395 VanDerWaalsContact C-N 3.32Å; R393-T395 PolarHBondContact O-N 3.47Å; T395-E399 PolarHBondContact O-N 2.88Å
396	Q	89.8	Confident	88.3	Confident	18 Å²	18	56.8 Å²	56.8	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-75.6	-28.1	177.8	-67.1	178.1	-43.9	0	0	112.5	F377 Y381 I391 R393 P394 I400	F377-Q396 HydrophobicContact CZ-CB 4.21Å; Y381-Q396 HydrophobicContact CE1-CG 4.26Å; Y381-Q396 HydrophobicContact CE2-CG 4.31Å; I391-Q396 HydrophobicContact CG2-CB 3.59Å; R393-Q396 HydrophobicContact CB-CB 4.34Å; R393-Q396 HydrophobicContact CB-CG 4.16Å; R393-Q396 PolarHBondContact O-N 2.97Å; R393-Q396 VanDerWaalsContact O-N 3.08Å; P394-Q396 PolarHBondContact O-N 3.33Å; Q396-I400 PolarHBondContact O-N 3.33Å
397	L	88.7	Confident	89.3	Confident	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-76.9	-34.8	173.6	-67	171.2	0	0	0	111.2	I391 R393 P394 I400 L401 L435 F441 I444 R446 I448	I391-L397 HydrophobicContact CG2-CD2 3.84Å; I391-L397 HydrophobicContact CG2-CG 4.18Å; R393-L397 PolarHBondContact O-N 3.22Å; P394-L397 PolarHBondContact O-N 2.71Å; L397-I400 PolarHBondContact O-N 3.35Å; L397-L401 WeakPolarHBondContact O-CB 3.35Å; L397-L401 PolarHBondContact O-N 2.89Å; L397-L435 HydrophobicContact CB-CD2 4.19Å; L397-L435 HydrophobicContact CD2-CD2 4.18Å; L397-F441 HydrophobicContact CB-CD1 4Å; L397-F441 HydrophobicContact CB-CE1 3.66Å; L397-F441 HydrophobicContact CB-CE2 4.33Å; L397-F441 HydrophobicContact CB-CG 4.47Å; L397-F441 HydrophobicContact CB-CZ 3.84Å; L397-F441 HydrophobicContact CD1-CD1 4.21Å; L397-F441 HydrophobicContact CD1-CE1 4.38Å; L397-I444 HydrophobicContact CD1-CD1 3.53Å; L397-R446 HydrophobicContact CD1-CB 4.26Å; L397-I448 HydrophobicContact CD2-CB 4.35Å; L397-I448 HydrophobicContact CD2-CD1 4.01Å; L397-I448 HydrophobicContact CD2-CG1 3.94Å
398	Q	90.5	Very high	89.8	Confident	67 Å²	67	46 Å²	46	31%	0.313	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-49.6	170.6	-174.1	58.4	63.5	0	0	111.2	P394 I400 L401 D402 F441	P394-Q398 PolarHBondContact O-N 3.27Å; Q398-I400 VanDerWaalsContact C-N 3.28Å; Q398-I400 PolarHBondContact O-N 3.38Å; Q398-L401 CarbonylContact O-C 3.48Å; Q398-L401 WeakPolarHBondContact O-CA 3.3Å; Q398-L401 WeakPolarHBondContact O-CB 3.21Å; Q398-L401 PolarHBondContact O-N 3.48Å; Q398-D402 WeakPolarHBondContact CG-OD2 3.13Å; Q398-D402 PolarHBondContact NE2-OD1 2.72Å; Q398-D402 PolarHBondContact NE2-OD2 2.79Å; Q398-D402 PolarHBondContact O-N 2.87Å; Q398-D402 VanDerWaalsContact O-OD2 3.08Å; Q398-F441 HydrophobicContact CB-CD2 4.15Å; Q398-F441 HydrophobicContact CB-CE2 3.8Å
399	E	93.7	Very high	90	Very high	55 Å²	55	49.8 Å²	49.8	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-60.3	-34.4	178	-175.6	177.8	176.7	0	0	112.8	F377 K380 Y381 T395 I403	F377-E399 HydrophobicContact CD2-CB 4.42Å; F377-E399 HydrophobicContact CD2-CG 3.82Å; F377-E399 HydrophobicContact CE2-CB 3.97Å; F377-E399 HydrophobicContact CE2-CG 3.86Å; K380-E399 IonicContact NZ-OE1 3.82Å; K380-E399 PolarHBondContact NZ-OE1 3.41Å; K380-E399 IonicContact NZ-OE2 3.65Å; K380-E399 PolarHBondContact NZ-OE2 3.43Å; Y381-E399 WeakPolarHBondContact CE2-OE2 3.36Å; Y381-E399 PolarHBondContact OH-OE2 3.47Å; Y381-E399 VanDerWaalsContact OH-OE2 3.1Å; T395-E399 PolarHBondContact O-N 2.88Å; E399-I403 HydrophobicContact CG-CD1 4.45Å; E399-I403 WeakPolarHBondContact O-CD1 3.34Å; E399-I403 VanDerWaalsContact O-CG1 3.25Å; E399-I403 WeakPolarHBondContact O-CG1 3.38Å; E399-I403 PolarHBondContact O-N 3.06Å
400	I	93.7	Very high	90	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.2	-39.6	169.8	-72.1	-172.2	0	0	0	112.3	F374 F377 I391 Q396 L397 Q398 D402 I403 V404 L431 L435 I448	F374-I400 HydrophobicContact CE1-CG2 4.15Å; F374-I400 HydrophobicContact CZ-CG2 4.35Å; F377-I400 HydrophobicContact CD1-CD1 4.13Å; F377-I400 HydrophobicContact CD1-CG1 4.24Å; F377-I400 HydrophobicContact CD2-CG1 4.09Å; F377-I400 HydrophobicContact CE1-CD1 3.76Å; F377-I400 HydrophobicContact CE1-CG1 4.02Å; F377-I400 HydrophobicContact CE2-CD1 4.45Å; F377-I400 HydrophobicContact CE2-CG1 3.81Å; F377-I400 HydrophobicContact CG-CG1 4.3Å; F377-I400 HydrophobicContact CZ-CD1 3.92Å; F377-I400 HydrophobicContact CZ-CG1 3.77Å; I391-I400 HydrophobicContact CD1-CD1 3.35Å; Q396-I400 PolarHBondContact O-N 3.33Å; L397-I400 PolarHBondContact O-N 3.35Å; Q398-I400 VanDerWaalsContact C-N 3.28Å; Q398-I400 PolarHBondContact O-N 3.38Å; I400-D402 VanDerWaalsContact C-N 3.26Å; I400-D402 PolarHBondContact O-N 3.24Å; I400-I403 PolarHBondContact O-N 3.39Å; I400-V404 HydrophobicContact CG2-CG2 4.19Å; I400-V404 WeakPolarHBondContact O-CB 3.47Å; I400-V404 VanDerWaalsContact O-CG2 3.22Å; I400-V404 WeakPolarHBondContact O-CG2 3.19Å; I400-V404 PolarHBondContact O-N 3.08Å; I400-L431 HydrophobicContact CG2-CD2 4.29Å; I400-L435 HydrophobicContact CG2-CD1 3.99Å; I400-I448 HydrophobicContact CB-CD1 4.36Å; I400-I448 HydrophobicContact CD1-CD1 4.15Å; I400-I448 HydrophobicContact CD1-CG2 4.1Å; I400-I448 HydrophobicContact CG2-CD1 3.74Å
401	L	92.8	Very high	89.9	Confident	4 Å²	4	49 Å²	49	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-41.2	175.6	172.5	55.6	0	0	0	111	L397 Q398 V404 R405 K432 L435 E436 F441	L397-L401 WeakPolarHBondContact O-CB 3.35Å; L397-L401 PolarHBondContact O-N 2.89Å; Q398-L401 CarbonylContact O-C 3.48Å; Q398-L401 WeakPolarHBondContact O-CA 3.3Å; Q398-L401 WeakPolarHBondContact O-CB 3.21Å; Q398-L401 PolarHBondContact O-N 3.48Å; L401-V404 PolarHBondContact O-N 3.09Å; L401-R405 HydrophobicContact CD1-CG 4.14Å; L401-R405 VanDerWaalsContact O-CG 3.3Å; L401-R405 WeakPolarHBondContact O-CG 3.04Å; L401-R405 PolarHBondContact O-N 2.67Å; L401-K432 HydrophobicContact CD1-CG 4.2Å; L401-L435 HydrophobicContact CB-CB 4.1Å; L401-L435 HydrophobicContact CB-CD1 3.92Å; L401-L435 HydrophobicContact CD1-CB 3.96Å; L401-L435 HydrophobicContact CD2-CB 4.24Å; L401-L435 HydrophobicContact CG-CB 4.32Å; L401-E436 HydrophobicContact CD1-CG 3.72Å; L401-E436 HydrophobicContact CD2-CG 3.82Å; L401-E436 HydrophobicContact CG-CG 4.42Å; L401-F441 HydrophobicContact CB-CZ 4.48Å; L401-F441 HydrophobicContact CD2-CE2 4.3Å; L401-F441 HydrophobicContact CD2-CZ 4.16Å
402	D	95	Very high	89.9	Confident	67 Å²	67	54.1 Å²	54.1	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-74.3	-34.6	-179.5	-58.5	-38.4	0	0	0	112.3	Q398 I400 V404 R405 S406	Q398-D402 WeakPolarHBondContact CG-OD2 3.13Å; Q398-D402 PolarHBondContact NE2-OD1 2.72Å; Q398-D402 PolarHBondContact NE2-OD2 2.79Å; Q398-D402 PolarHBondContact O-N 2.87Å; Q398-D402 VanDerWaalsContact O-OD2 3.08Å; I400-D402 VanDerWaalsContact C-N 3.26Å; I400-D402 PolarHBondContact O-N 3.24Å; D402-V404 VanDerWaalsContact C-N 3.32Å; D402-V404 PolarHBondContact O-N 3.02Å; D402-R405 PolarHBondContact O-N 3.4Å; D402-R405 IonicContact OD1-CZ 2.89Å; D402-R405 IonicContact OD1-NH1 3.27Å; D402-R405 PolarHBondContact OD1-NH1 2.91Å; D402-S406 WeakPolarHBondContact O-CB 3.29Å; D402-S406 PolarHBondContact O-N 3.4Å
403	I	95.5	Very high	90.1	Very high	20 Å²	20	49.9 Å²	49.9	10%	0.103	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-43.7	166.3	-71.8	166.1	0	0	0	111	K373 F374 F377 E399 I400 I407	K373-I403 HydrophobicContact CB-CD1 4.5Å; K373-I403 HydrophobicContact CB-CG1 4.24Å; K373-I403 HydrophobicContact CB-CG2 3.73Å; K373-I403 HydrophobicContact CD-CG2 4.43Å; F374-I403 HydrophobicContact CD2-CG2 3.86Å; F374-I403 HydrophobicContact CE2-CG2 3.64Å; F374-I403 HydrophobicContact CZ-CG2 4.13Å; F377-I403 HydrophobicContact CB-CD1 3.89Å; F377-I403 HydrophobicContact CD2-CD1 3.96Å; F377-I403 HydrophobicContact CG-CD1 4.22Å; E399-I403 HydrophobicContact CG-CD1 4.45Å; E399-I403 WeakPolarHBondContact O-CD1 3.34Å; E399-I403 VanDerWaalsContact O-CG1 3.25Å; E399-I403 WeakPolarHBondContact O-CG1 3.38Å; E399-I403 PolarHBondContact O-N 3.06Å; I400-I403 PolarHBondContact O-N 3.39Å; I403-I407 HydrophobicContact CG2-CD1 3.76Å; I403-I407 WeakPolarHBondContact O-CD1 3.41Å; I403-I407 VanDerWaalsContact O-CG1 3.28Å; I403-I407 WeakPolarHBondContact O-CG1 3.32Å; I403-I407 PolarHBondContact O-N 2.94Å
404	V	94.8	Very high	90	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-39.5	-179.8	170.7	0	0	0	0	111.8	F374 I400 L401 D402 L408 F428 L431 K432	F374-V404 HydrophobicContact CE2-CG2 4.46Å; F374-V404 HydrophobicContact CZ-CG2 3.9Å; I400-V404 HydrophobicContact CG2-CG2 4.19Å; I400-V404 WeakPolarHBondContact O-CB 3.47Å; I400-V404 VanDerWaalsContact O-CG2 3.22Å; I400-V404 WeakPolarHBondContact O-CG2 3.19Å; I400-V404 PolarHBondContact O-N 3.08Å; L401-V404 PolarHBondContact O-N 3.09Å; D402-V404 VanDerWaalsContact C-N 3.32Å; D402-V404 PolarHBondContact O-N 3.02Å; V404-L408 HydrophobicContact CG1-CD1 4.06Å; V404-L408 VanDerWaalsContact O-CG 3.32Å; V404-L408 WeakPolarHBondContact O-CG 3.24Å; V404-L408 PolarHBondContact O-N 2.92Å; V404-F428 HydrophobicContact CG1-CB 4.19Å; V404-F428 HydrophobicContact CG1-CD1 4.25Å; V404-F428 WeakPolarHBondContact CG1-O 3.39Å; V404-F428 HydrophobicContact CG2-CD1 4.16Å; V404-L431 HydrophobicContact CG2-CD2 3.66Å; V404-L431 HydrophobicContact CG2-CG 4.14Å; V404-K432 HydrophobicContact CG1-CB 3.99Å
405	R	95.1	Very high	89.7	Confident	75 Å²	75	49.2 Å²	49.2	28%	0.283	27%	0.268	S	S	.	.	H	α-helix	trans	-60.9	-50.8	173.7	-74.6	163.6	170.6	175.6	-11.8	111.1	L401 D402 I407 L408 E409 E436	L401-R405 HydrophobicContact CD1-CG 4.14Å; L401-R405 VanDerWaalsContact O-CG 3.3Å; L401-R405 WeakPolarHBondContact O-CG 3.04Å; L401-R405 PolarHBondContact O-N 2.67Å; D402-R405 PolarHBondContact O-N 3.4Å; D402-R405 IonicContact OD1-CZ 2.89Å; D402-R405 IonicContact OD1-NH1 3.27Å; D402-R405 PolarHBondContact OD1-NH1 2.91Å; R405-I407 VanDerWaalsContact C-N 3.34Å; R405-I407 PolarHBondContact O-N 2.71Å; R405-L408 WeakPolarHBondContact O-CB 3.35Å; R405-L408 PolarHBondContact O-N 3.15Å; R405-E409 WeakPolarHBondContact O-CG 3.42Å; R405-E409 PolarHBondContact O-N 2.85Å; R405-E436 IonicContact CZ-OE1 2.86Å; R405-E436 VanDerWaalsContact CZ-OE1 3.29Å; R405-E436 IonicContact NE-OE1 2.83Å; R405-E436 PolarHBondContact NE-OE1 2.62Å; R405-E436 IonicContact NH2-OE1 3.28Å; R405-E436 PolarHBondContact NH2-OE1 3.31Å
406	S	93.7	Very high	88.9	Confident	38 Å²	38	46.2 Å²	46.2	27%	0.266	25%	0.25	S	S	.	.	H	α-helix	trans	-60.1	-39.7	179	177.5	0	0	0	0	112.8	K373 D402 E409 E410	K373-S406 PolarHBondContact NZ-OG 2.95Å; D402-S406 WeakPolarHBondContact O-CB 3.29Å; D402-S406 PolarHBondContact O-N 3.4Å; S406-E409 PolarHBondContact O-N 3.17Å; S406-E410 VanDerWaalsContact O-CG 3.31Å; S406-E410 WeakPolarHBondContact O-CG 3.48Å; S406-E410 PolarHBondContact O-N 3.03Å
407	I	91.8	Very high	87.9	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-35.8	174.9	-69	165.3	0	0	0	111.8	H371 K373 F374 I403 R405 I411 L421 F428	H371-I407 HydrophobicContact CB-CD1 4.19Å; K373-I407 HydrophobicContact CD-CG1 4.27Å; F374-I407 HydrophobicContact CD2-CD1 4.05Å; F374-I407 HydrophobicContact CE2-CD1 3.8Å; I403-I407 HydrophobicContact CG2-CD1 3.76Å; I403-I407 WeakPolarHBondContact O-CD1 3.41Å; I403-I407 VanDerWaalsContact O-CG1 3.28Å; I403-I407 WeakPolarHBondContact O-CG1 3.32Å; I403-I407 PolarHBondContact O-N 2.94Å; R405-I407 VanDerWaalsContact C-N 3.34Å; R405-I407 PolarHBondContact O-N 2.71Å; I407-I411 HydrophobicContact CG2-CD1 4.11Å; I407-I411 WeakPolarHBondContact O-CD1 3.29Å; I407-I411 VanDerWaalsContact O-CG1 3.31Å; I407-I411 WeakPolarHBondContact O-CG1 3.28Å; I407-I411 PolarHBondContact O-N 3.27Å; I407-L421 HydrophobicContact CG2-CD2 4.04Å; I407-F428 HydrophobicContact CD1-CZ 4.42Å; I407-F428 HydrophobicContact CG2-CD2 3.94Å; I407-F428 HydrophobicContact CG2-CE2 3.77Å; I407-F428 HydrophobicContact CG2-CZ 4.23Å
408	L	92.1	Very high	87.2	Confident	10 Å²	10	55 Å²	55	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-68.2	-38.2	174.1	-73.6	167.8	0	0	0	111.6	V404 R405 I411 D412 K425 F428 E429 K432	V404-L408 HydrophobicContact CG1-CD1 4.06Å; V404-L408 VanDerWaalsContact O-CG 3.32Å; V404-L408 WeakPolarHBondContact O-CG 3.24Å; V404-L408 PolarHBondContact O-N 2.92Å; R405-L408 WeakPolarHBondContact O-CB 3.35Å; R405-L408 PolarHBondContact O-N 3.15Å; L408-I411 PolarHBondContact O-N 3.45Å; L408-D412 WeakPolarHBondContact O-CB 3.4Å; L408-D412 PolarHBondContact O-N 3.35Å; L408-K425 HydrophobicContact CD2-CG 3.85Å; L408-F428 HydrophobicContact CD1-CB 4.34Å; L408-F428 HydrophobicContact CD2-CB 3.78Å; L408-F428 HydrophobicContact CG-CB 4.01Å; L408-E429 HydrophobicContact CD2-CG 4.15Å; L408-K432 HydrophobicContact CD1-CB 4.06Å; L408-K432 HydrophobicContact CD1-CD 3.76Å
409	E	92.2	Very high	86.4	Confident	123 Å²	123	57.4 Å²	57.4	58%	0.575	32%	0.318	S	S	*	.	H	α-helix	trans	-65.9	-39.3	175.1	-72.2	158.3	-168.4	0	0	112.3	R405 S406 I411 D412 S413	R405-E409 WeakPolarHBondContact O-CG 3.42Å; R405-E409 PolarHBondContact O-N 2.85Å; S406-E409 PolarHBondContact O-N 3.17Å; E409-I411 PolarHBondContact O-N 2.91Å; E409-D412 PolarHBondContact O-N 3Å; E409-S413 WeakPolarHBondContact O-CB 3.39Å; E409-S413 PolarHBondContact O-N 2.91Å; E409-S413 PolarHBondContact O-OG 2.64Å
410	E	88.1	Confident	85.4	Confident	66 Å²	66	58.2 Å²	58.2	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-30.5	172.3	-74.5	163.9	163	0	0	112.5	K373 S406 S413 Q415 C416	K373-E410 IonicContact NZ-OE1 3.22Å; K373-E410 PolarHBondContact NZ-OE1 2.63Å; K373-E410 IonicContact NZ-OE2 2.92Å; K373-E410 PolarHBondContact NZ-OE2 3.48Å; S406-E410 VanDerWaalsContact O-CG 3.31Å; S406-E410 WeakPolarHBondContact O-CG 3.48Å; S406-E410 PolarHBondContact O-N 3.03Å; E410-S413 PolarHBondContact O-OG 3.39Å; E410-Q415 PolarHBondContact O-N 2.61Å; E410-C416 VanDerWaalsContact O-CB 3.3Å; E410-C416 WeakPolarHBondContact O-CB 3.5Å; E410-C416 PolarHBondContact O-N 3.21Å
411	I	87.4	Confident	84.5	Confident	13 Å²	13	59.2 Å²	59.2	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-80.5	-47.1	174.7	-70.5	165.5	0	0	0	111.7	I407 L408 E409 S413 G414 C416 L421 L422 K425	I407-I411 HydrophobicContact CG2-CD1 4.11Å; I407-I411 WeakPolarHBondContact O-CD1 3.29Å; I407-I411 VanDerWaalsContact O-CG1 3.31Å; I407-I411 WeakPolarHBondContact O-CG1 3.28Å; I407-I411 PolarHBondContact O-N 3.27Å; L408-I411 PolarHBondContact O-N 3.45Å; E409-I411 PolarHBondContact O-N 2.91Å; I411-S413 VanDerWaalsContact C-N 3.34Å; I411-S413 PolarHBondContact O-N 3Å; I411-G414 PolarHBondContact O-N 3.28Å; I411-C416 HydrophobicContact CG1-CB 3.98Å; I411-L421 HydrophobicContact CD1-CB 4.31Å; I411-L422 HydrophobicContact CG2-CD2 3.87Å; I411-K425 HydrophobicContact CD1-CB 4.27Å; I411-K425 HydrophobicContact CD1-CG 4.38Å; I411-K425 HydrophobicContact CG2-CB 4.43Å; I411-K425 HydrophobicContact CG2-CD 3.68Å; I411-K425 HydrophobicContact CG2-CG 3.97Å
412	D	87.2	Confident	83.8	Confident	107 Å²	107	62.5 Å²	62.5	57%	0.572	35%	0.351	S	S	*	.	H	α-helix	trans	-72.5	-25.3	-175.8	-77.5	-36.2	0	0	0	113.2	L408 E409 G414 K425	L408-D412 WeakPolarHBondContact O-CB 3.4Å; L408-D412 PolarHBondContact O-N 3.35Å; E409-D412 PolarHBondContact O-N 3Å; D412-G414 PolarHBondContact O-N 3.48Å; D412-K425 WeakPolarHBondContact OD1-CE 3.11Å; D412-K425 IonicContact OD1-NZ 3.48Å; D412-K425 PolarHBondContact OD1-NZ 2.73Å
413	S	85.9	Confident	83.1	Confident	65 Å²	65	68.7 Å²	68.7	46%	0.455	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.5	171.1	58.8	0	0	0	0	114.2	E409 E410 I411 Q415	E409-S413 WeakPolarHBondContact O-CB 3.39Å; E409-S413 PolarHBondContact O-N 2.91Å; E409-S413 PolarHBondContact O-OG 2.64Å; E410-S413 PolarHBondContact O-OG 3.39Å; I411-S413 VanDerWaalsContact C-N 3.34Å; I411-S413 PolarHBondContact O-N 3Å; S413-Q415 PolarHBondContact O-N 2.93Å
414	G	77.7	Confident	82.6	Confident	64 Å²	64	69 Å²	69	66%	0.66	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	7.5	-178.9	0	0	0	0	0	115.1	I411 D412	I411-G414 PolarHBondContact O-N 3.28Å; D412-G414 PolarHBondContact O-N 3.48Å
415	Q	71.9	Confident	82.3	Confident	154 Å²	154	71.4 Å²	71.4	72%	0.72	38%	0.382	S	S	*	.			trans	-78.9	-22.7	180	-62.3	-177.1	5.8	0	0	112.7	E410 S413 T417	E410-Q415 PolarHBondContact O-N 2.61Å; S413-Q415 PolarHBondContact O-N 2.93Å; Q415-T417 PolarHBondContact O-N 3.06Å
416	C	70.4	Confident	82	Confident	23 Å²	23	70.9 Å²	70.9	16%	0.155	39%	0.388	C	S	.	.			trans	-76.9	105.1	178.8	-177.2	0	0	0	0	112.8	E410 I411	E410-C416 VanDerWaalsContact O-CB 3.3Å; E410-C416 WeakPolarHBondContact O-CB 3.5Å; E410-C416 PolarHBondContact O-N 3.21Å; I411-C416 HydrophobicContact CG1-CB 3.98Å
417	T	67	Low	81.8	Confident	132 Å²	132	72.5 Å²	72.5	81%	0.81	39%	0.39	S	S	*	.			trans	-83.8	-6.4	172.6	52.5	0	0	0	0	114.3	Q415 N419	Q415-T417 PolarHBondContact O-N 3.06Å; T417-N419 PolarHBondContact O-N 3.07Å
418	D	74.1	Confident	81.9	Confident	71 Å²	71	72.5 Å²	72.5	38%	0.38	39%	0.39	S	S	.	.			trans	-76.4	106.5	-179.4	177	18.3	0	0	0	112.3	C420 L421 L422	D418-C420 PolarHBondContact O-N 3.23Å; D418-C420 VanDerWaalsContact O-N 3.16Å; D418-C420 WeakPolarHBondContact OD1-CA 3.43Å; D418-C420 WeakPolarHBondContact OD1-CB 3.44Å; D418-C420 PolarHBondContact OD1-N 3.03Å; D418-L421 HydrophobicContact CB-CB 4.16Å; D418-L421 HydrophobicContact CB-CD1 4.02Å; D418-L421 HydrophobicContact CB-CG 4.31Å; D418-L421 PolarHBondContact O-N 2.93Å; D418-L421 WeakPolarHBondContact OD2-CD1 3.3Å; D418-L421 WeakPolarHBondContact OD2-CG 3.42Å; D418-L421 PolarHBondContact OD2-N 2.61Å; D418-L422 WeakPolarHBondContact O-CG 3.45Å; D418-L422 PolarHBondContact O-N 3.03Å
419	N	74.3	Confident	81.9	Confident	117 Å²	117	74.3 Å²	74.3	63%	0.626	40%	0.399	S	S	*	.	H	α-helix	trans	-56.9	-24.3	173.7	-77.6	-65	0	0	0	114	T417 R423	T417-N419 PolarHBondContact O-N 3.07Å; N419-R423 WeakPolarHBondContact O-CB 3.49Å; N419-R423 VanDerWaalsContact O-CG 3.3Å; N419-R423 WeakPolarHBondContact O-CG 3.21Å; N419-R423 PolarHBondContact O-N 3.43Å; N419-R423 VanDerWaalsContact O-N 3.14Å
420	C	72.5	Confident	81.8	Confident	73 Å²	73	69.9 Å²	69.9	49%	0.493	38%	0.378	S	S	.	.	H	α-helix	trans	-72.4	-51.3	175.1	-162.8	0	0	0	0	111.1	D418 L422 R423 I424	D418-C420 PolarHBondContact O-N 3.23Å; D418-C420 VanDerWaalsContact O-N 3.16Å; D418-C420 WeakPolarHBondContact OD1-CA 3.43Å; D418-C420 WeakPolarHBondContact OD1-CB 3.44Å; D418-C420 PolarHBondContact OD1-N 3.03Å; C420-L422 VanDerWaalsContact C-N 3.35Å; C420-L422 PolarHBondContact O-N 2.86Å; C420-R423 PolarHBondContact O-N 2.99Å; C420-I424 PolarHBondContact O-N 2.91Å; C420-I424 VanDerWaalsContact O-N 3.13Å
421	L	76.1	Confident	82	Confident	21 Å²	21	66.8 Å²	66.8	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-55.7	-46	172.5	-79.7	168.8	0	0	0	112.2	H371 I407 I411 D418 R423 I424 K425 F428	H371-L421 HydrophobicContact CB-CD2 4.48Å; I407-L421 HydrophobicContact CG2-CD2 4.04Å; I411-L421 HydrophobicContact CD1-CB 4.31Å; D418-L421 HydrophobicContact CB-CB 4.16Å; D418-L421 HydrophobicContact CB-CD1 4.02Å; D418-L421 HydrophobicContact CB-CG 4.31Å; D418-L421 PolarHBondContact O-N 2.93Å; D418-L421 WeakPolarHBondContact OD2-CD1 3.3Å; D418-L421 WeakPolarHBondContact OD2-CG 3.42Å; D418-L421 PolarHBondContact OD2-N 2.61Å; L421-R423 VanDerWaalsContact C-N 3.34Å; L421-R423 PolarHBondContact O-N 2.88Å; L421-I424 HydrophobicContact CD2-CD1 4.41Å; L421-I424 CarbonylContact O-C 3.57Å; L421-I424 WeakPolarHBondContact O-CG1 3.24Å; L421-I424 PolarHBondContact O-N 2.93Å; L421-I424 VanDerWaalsContact O-N 3.11Å; L421-K425 PolarHBondContact O-N 2.95Å; L421-F428 HydrophobicContact CD2-CE2 3.86Å; L421-F428 HydrophobicContact CD2-CZ 4.48Å
422	L	77.3	Confident	82.2	Confident	73 Å²	73	69.2 Å²	69.2	38%	0.382	37%	0.373	S	S	.	.	H	α-helix	trans	-57.6	-44.1	176.2	-68.4	173.4	0	0	0	112.1	I411 D418 C420 I424 K425	I411-L422 HydrophobicContact CG2-CD2 3.87Å; D418-L422 WeakPolarHBondContact O-CG 3.45Å; D418-L422 PolarHBondContact O-N 3.03Å; C420-L422 VanDerWaalsContact C-N 3.35Å; C420-L422 PolarHBondContact O-N 2.86Å; L422-I424 VanDerWaalsContact C-N 3.3Å; L422-I424 PolarHBondContact O-N 2.87Å; L422-K425 WeakPolarHBondContact O-CB 3.14Å; L422-K425 PolarHBondContact O-N 3.04Å
423	R	79.7	Confident	82.2	Confident	196 Å²	196	67.9 Å²	67.9	74%	0.74	36%	0.361	S	S	*	.	H	α-helix	trans	-65.3	-27.1	176.6	-79.9	177.1	171.2	-168.2	-1.1	113.8	N419 C420 L421	N419-R423 WeakPolarHBondContact O-CB 3.49Å; N419-R423 VanDerWaalsContact O-CG 3.3Å; N419-R423 WeakPolarHBondContact O-CG 3.21Å; N419-R423 PolarHBondContact O-N 3.43Å; N419-R423 VanDerWaalsContact O-N 3.14Å; C420-R423 PolarHBondContact O-N 2.99Å; L421-R423 VanDerWaalsContact C-N 3.34Å; L421-R423 PolarHBondContact O-N 2.88Å
424	I	85	Confident	82.3	Confident	27 Å²	27	64.9 Å²	64.9	14%	0.138	34%	0.34	C	S	.	.	H	α-helix	trans	-97.9	-2.8	178.5	67.3	174	0	0	0	114.7	V369 C420 L421 L422 P426 K427 F428	V369-I424 HydrophobicContact CG1-CD1 4.34Å; C420-I424 PolarHBondContact O-N 2.91Å; C420-I424 VanDerWaalsContact O-N 3.13Å; L421-I424 HydrophobicContact CD2-CD1 4.41Å; L421-I424 CarbonylContact O-C 3.57Å; L421-I424 WeakPolarHBondContact O-CG1 3.24Å; L421-I424 PolarHBondContact O-N 2.93Å; L421-I424 VanDerWaalsContact O-N 3.11Å; L422-I424 VanDerWaalsContact C-N 3.3Å; L422-I424 PolarHBondContact O-N 2.87Å; I424-P426 VanDerWaalsContact C-CD 3.43Å; I424-P426 VanDerWaalsContact C-N 3.32Å; I424-P426 VanDerWaalsContact O-N 3.14Å; I424-K427 WeakPolarHBondContact O-CA 3.38Å; I424-K427 WeakPolarHBondContact O-CB 3.44Å; I424-K427 PolarHBondContact O-N 2.89Å; I424-F428 HydrophobicContact CD1-CD2 4.38Å; I424-F428 HydrophobicContact CD1-CE2 3.51Å; I424-F428 HydrophobicContact CD1-CZ 3.89Å; I424-F428 HydrophobicContact CG1-CD2 4.11Å; I424-F428 HydrophobicContact CG1-CE2 3.67Å; I424-F428 PolarHBondContact O-N 3.41Å
425	K	89.4	Confident	82.8	Confident	51 Å²	51	62 Å²	62	22%	0.222	31%	0.31	C	S	.	.	H	α-helix	trans	-42.6	-47.5	175.3	-173.8	-162.5	-176.5	173.6	0	113.8	L408 I411 D412 L421 L422 K427 F428 E429	L408-K425 HydrophobicContact CD2-CG 3.85Å; I411-K425 HydrophobicContact CD1-CB 4.27Å; I411-K425 HydrophobicContact CD1-CG 4.38Å; I411-K425 HydrophobicContact CG2-CB 4.43Å; I411-K425 HydrophobicContact CG2-CD 3.68Å; I411-K425 HydrophobicContact CG2-CG 3.97Å; D412-K425 WeakPolarHBondContact OD1-CE 3.11Å; D412-K425 IonicContact OD1-NZ 3.48Å; D412-K425 PolarHBondContact OD1-NZ 2.73Å; L421-K425 PolarHBondContact O-N 2.95Å; L422-K425 WeakPolarHBondContact O-CB 3.14Å; L422-K425 PolarHBondContact O-N 3.04Å; K425-K427 PolarHBondContact O-N 3.13Å; K425-K427 VanDerWaalsContact O-N 3.12Å; K425-F428 PolarHBondContact O-N 3.34Å; K425-E429 PolarHBondContact O-N 3.27Å
426	P	88.2	Confident	83.5	Confident	64 Å²	64	57.6 Å²	57.6	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-23.8	-179.3	-22.5	35.5	0	0	0	113.8	I424 Q430 R683	I424-P426 VanDerWaalsContact C-CD 3.43Å; I424-P426 VanDerWaalsContact C-N 3.32Å; I424-P426 VanDerWaalsContact O-N 3.14Å; P426-Q430 PolarHBondContact O-N 2.79Å; P426-R683 PolarHBondContact O-NH1 2.94Å
427	K	90.7	Very high	83.8	Confident	72 Å²	72	57.6 Å²	57.6	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-79.6	-32.6	173.9	-57.9	-167.6	-173.8	179.2	0	111.8	M365 K366 M367 I424 K425 Q430 L431	M365-K427 HydrophobicContact CE-CB 4.02Å; M365-K427 WeakPolarHBondContact CE-O 3.47Å; K366-K427 PolarHBondContact O-NZ 3.45Å; M367-K427 HydrophobicContact CB-CB 4.31Å; M367-K427 HydrophobicContact CB-CD 3.59Å; M367-K427 HydrophobicContact SD-CB 3.54Å; M367-K427 VanDerWaalsContact SD-CB 3.54Å; I424-K427 WeakPolarHBondContact O-CA 3.38Å; I424-K427 WeakPolarHBondContact O-CB 3.44Å; I424-K427 PolarHBondContact O-N 2.89Å; K425-K427 PolarHBondContact O-N 3.13Å; K425-K427 VanDerWaalsContact O-N 3.12Å; K427-Q430 PolarHBondContact O-N 3.06Å; K427-L431 PolarHBondContact O-N 3.03Å
428	F	93.3	Very high	84	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-42.2	171	-74.9	-53.4	0	0	0	112	M367 V369 F374 V404 I407 L408 L421 I424 K425 Q430 L431 K432	M367-F428 HydrophobicContact CE-CD1 3.86Å; M367-F428 HydrophobicContact CE-CE1 4.04Å; M367-F428 HydrophobicContact SD-CD1 4.1Å; M367-F428 HydrophobicContact SD-CE1 4.08Å; V369-F428 HydrophobicContact CG1-CE1 3.94Å; V369-F428 HydrophobicContact CG1-CZ 3.68Å; F374-F428 AromaticContact CE2-CE1 3.67Å; F374-F428 HydrophobicContact CE2-CE1 3.67Å; F374-F428 HydrophobicContact CE2-CZ 4.23Å; F374-F428 HydrophobicContact CZ-CE1 4.08Å; V404-F428 HydrophobicContact CG1-CB 4.19Å; V404-F428 HydrophobicContact CG1-CD1 4.25Å; V404-F428 WeakPolarHBondContact CG1-O 3.39Å; V404-F428 HydrophobicContact CG2-CD1 4.16Å; I407-F428 HydrophobicContact CD1-CZ 4.42Å; I407-F428 HydrophobicContact CG2-CD2 3.94Å; I407-F428 HydrophobicContact CG2-CE2 3.77Å; I407-F428 HydrophobicContact CG2-CZ 4.23Å; L408-F428 HydrophobicContact CD1-CB 4.34Å; L408-F428 HydrophobicContact CD2-CB 3.78Å; L408-F428 HydrophobicContact CG-CB 4.01Å; L421-F428 HydrophobicContact CD2-CE2 3.86Å; L421-F428 HydrophobicContact CD2-CZ 4.48Å; I424-F428 HydrophobicContact CD1-CD2 4.38Å; I424-F428 HydrophobicContact CD1-CE2 3.51Å; I424-F428 HydrophobicContact CD1-CZ 3.89Å; I424-F428 HydrophobicContact CG1-CD2 4.11Å; I424-F428 HydrophobicContact CG1-CE2 3.67Å; I424-F428 PolarHBondContact O-N 3.41Å; K425-F428 PolarHBondContact O-N 3.34Å; F428-Q430 VanDerWaalsContact C-N 3.31Å; F428-Q430 PolarHBondContact O-N 2.91Å; F428-L431 PolarHBondContact O-N 2.9Å; F428-L431 VanDerWaalsContact O-N 3.16Å; F428-K432 WeakPolarHBondContact O-CB 3.5Å; F428-K432 PolarHBondContact O-N 2.92Å
429	E	91.6	Very high	83.6	Confident	49 Å²	49	55.4 Å²	55.4	23%	0.229	28%	0.282	C	S	.	.	H	α-helix	trans	-53.8	-47.4	170.1	-66.6	165.1	-171.7	0	0	111.8	L408 K425 L431 K432 Y433 R683	L408-E429 HydrophobicContact CD2-CG 4.15Å; K425-E429 PolarHBondContact O-N 3.27Å; E429-L431 VanDerWaalsContact C-N 3.35Å; E429-L431 PolarHBondContact O-N 3.28Å; E429-K432 WeakPolarHBondContact O-CB 3.33Å; E429-K432 PolarHBondContact O-N 3.4Å; E429-Y433 HydrophobicContact CB-CE2 4.24Å; E429-Y433 WeakPolarHBondContact O-CD2 3.42Å; E429-Y433 PolarHBondContact O-N 3.48Å; E429-R683 IonicContact OE2-CZ 3.75Å; E429-R683 IonicContact OE2-NH1 3.14Å; E429-R683 IonicContact OE2-NH2 2.75Å; E429-R683 PolarHBondContact OE2-NH2 3.4Å
430	Q	90	Very high	83.2	Confident	30 Å²	30	52.3 Å²	52.3	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-41	178.3	-173.3	171.2	22	0	0	111.8	M365 P426 K427 F428 Y433 V434 L680	M365-Q430 HydrophobicContact CE-CB 3.97Å; M365-Q430 HydrophobicContact CE-CG 4.12Å; M365-Q430 HydrophobicContact SD-CB 4.38Å; M365-Q430 HydrophobicContact SD-CG 4.01Å; P426-Q430 PolarHBondContact O-N 2.79Å; K427-Q430 PolarHBondContact O-N 3.06Å; F428-Q430 VanDerWaalsContact C-N 3.31Å; F428-Q430 PolarHBondContact O-N 2.91Å; Q430-Y433 PolarHBondContact O-N 3.07Å; Q430-V434 HydrophobicContact CG-CG2 4.42Å; Q430-V434 WeakPolarHBondContact O-CB 3.45Å; Q430-V434 VanDerWaalsContact O-CG2 3.24Å; Q430-V434 WeakPolarHBondContact O-CG2 3.43Å; Q430-V434 PolarHBondContact O-N 3Å; Q430-L680 HydrophobicContact CG-CD2 4.29Å
431	L	92	Very high	83	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-38.7	176.9	-176.7	57.5	0	0	0	111.8	M365 M367 I400 V404 K427 F428 E429 V434 L435 I448 V488 A490	M365-L431 HydrophobicContact SD-CB 4.41Å; M367-L431 HydrophobicContact CE-CB 3.69Å; M367-L431 HydrophobicContact CE-CD2 3.32Å; M367-L431 HydrophobicContact CE-CG 4.1Å; I400-L431 HydrophobicContact CG2-CD2 4.29Å; V404-L431 HydrophobicContact CG2-CD2 3.66Å; V404-L431 HydrophobicContact CG2-CG 4.14Å; K427-L431 PolarHBondContact O-N 3.03Å; F428-L431 PolarHBondContact O-N 2.9Å; F428-L431 VanDerWaalsContact O-N 3.16Å; E429-L431 VanDerWaalsContact C-N 3.35Å; E429-L431 PolarHBondContact O-N 3.28Å; L431-V434 PolarHBondContact O-N 3.16Å; L431-L435 HydrophobicContact CD1-CD1 3.9Å; L431-L435 HydrophobicContact CD1-CG 4.13Å; L431-L435 HydrophobicContact CG-CD1 3.89Å; L431-L435 WeakPolarHBondContact O-CB 3.5Å; L431-L435 WeakPolarHBondContact O-CG 3.39Å; L431-L435 PolarHBondContact O-N 2.78Å; L431-I448 HydrophobicContact CD1-CD1 3.97Å; L431-V488 HydrophobicContact CD2-CG1 4.32Å; L431-A490 HydrophobicContact CD1-CB 3.75Å
432	K	91.7	Very high	81.7	Confident	65 Å²	65	52.7 Å²	52.7	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-56.6	-56.4	171.2	175.7	175.9	175.7	177.3	0	110.5	L401 V404 L408 F428 E429 V434 L435 E436	L401-K432 HydrophobicContact CD1-CG 4.2Å; V404-K432 HydrophobicContact CG1-CB 3.99Å; L408-K432 HydrophobicContact CD1-CB 4.06Å; L408-K432 HydrophobicContact CD1-CD 3.76Å; F428-K432 WeakPolarHBondContact O-CB 3.5Å; F428-K432 PolarHBondContact O-N 2.92Å; E429-K432 WeakPolarHBondContact O-CB 3.33Å; E429-K432 PolarHBondContact O-N 3.4Å; K432-V434 VanDerWaalsContact C-N 3.34Å; K432-V434 PolarHBondContact O-N 3.31Å; K432-L435 PolarHBondContact O-N 3.16Å; K432-L435 VanDerWaalsContact O-N 3.08Å; K432-E436 VanDerWaalsContact CE-CD 3.45Å; K432-E436 WeakPolarHBondContact CE-OE1 3.28Å; K432-E436 WeakPolarHBondContact CE-OE2 3.12Å; K432-E436 VanDerWaalsContact CG-CD 3.47Å; K432-E436 HydrophobicContact CG-CG 4.24Å; K432-E436 VanDerWaalsContact CG-OE2 3.24Å; K432-E436 WeakPolarHBondContact CG-OE2 3.38Å; K432-E436 WeakPolarHBondContact O-CB 3.46Å; K432-E436 WeakPolarHBondContact O-CG 3.41Å; K432-E436 PolarHBondContact O-N 3.38Å
433	Y	88.4	Confident	80.4	Confident	78 Å²	78	52.8 Å²	52.8	31%	0.306	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-43.2	178.7	-66.3	-53.7	0	0	0	112.8	E429 Q430 L435 E436 M437 D679	E429-Y433 HydrophobicContact CB-CE2 4.24Å; E429-Y433 WeakPolarHBondContact O-CD2 3.42Å; E429-Y433 PolarHBondContact O-N 3.48Å; Q430-Y433 PolarHBondContact O-N 3.07Å; Y433-L435 VanDerWaalsContact C-N 3.29Å; Y433-L435 PolarHBondContact O-N 2.82Å; Y433-E436 PolarHBondContact O-N 3.49Å; Y433-M437 WeakPolarHBondContact O-CG 3.35Å; Y433-M437 PolarHBondContact O-N 3.33Å; Y433-D679 HydrophobicContact CD2-CB 4.21Å; Y433-D679 HydrophobicContact CE2-CB 3.97Å
434	V	87.7	Confident	79	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-36.4	177.4	166.9	0	0	0	0	112.2	Q430 L431 K432 R446 W492 L680	Q430-V434 HydrophobicContact CG-CG2 4.42Å; Q430-V434 WeakPolarHBondContact O-CB 3.45Å; Q430-V434 VanDerWaalsContact O-CG2 3.24Å; Q430-V434 WeakPolarHBondContact O-CG2 3.43Å; Q430-V434 PolarHBondContact O-N 3Å; L431-V434 PolarHBondContact O-N 3.16Å; K432-V434 VanDerWaalsContact C-N 3.34Å; K432-V434 PolarHBondContact O-N 3.31Å; V434-R446 WeakPolarHBondContact O-CD 3.32Å; V434-R446 PolarHBondContact O-NE 3.02Å; V434-W492 HydrophobicContact CB-CD2 4.3Å; V434-W492 HydrophobicContact CB-CE3 4.45Å; V434-W492 HydrophobicContact CG1-CB 3.83Å; V434-W492 HydrophobicContact CG1-CD2 3.7Å; V434-W492 HydrophobicContact CG1-CE3 3.77Å; V434-W492 HydrophobicContact CG1-CG 3.75Å; V434-W492 HydrophobicContact CG2-CD2 3.52Å; V434-W492 VanDerWaalsContact CG2-CE2 3.43Å; V434-W492 HydrophobicContact CG2-CE3 3.78Å; V434-W492 HydrophobicContact CG2-CG 4.09Å; V434-W492 HydrophobicContact CG2-CH2 3.92Å; V434-W492 HydrophobicContact CG2-CZ2 3.65Å; V434-W492 HydrophobicContact CG2-CZ3 3.98Å; V434-L680 HydrophobicContact CG2-CD2 3.78Å
435	L	87.8	Confident	78	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-80.5	-33.1	178.6	-73.7	170.5	0	0	0	112.8	L397 I400 L401 L431 K432 Y433 F441 R446 I448	L397-L435 HydrophobicContact CB-CD2 4.19Å; L397-L435 HydrophobicContact CD2-CD2 4.18Å; I400-L435 HydrophobicContact CG2-CD1 3.99Å; L401-L435 HydrophobicContact CB-CB 4.1Å; L401-L435 HydrophobicContact CB-CD1 3.92Å; L401-L435 HydrophobicContact CD1-CB 3.96Å; L401-L435 HydrophobicContact CD2-CB 4.24Å; L401-L435 HydrophobicContact CG-CB 4.32Å; L431-L435 HydrophobicContact CD1-CD1 3.9Å; L431-L435 HydrophobicContact CD1-CG 4.13Å; L431-L435 HydrophobicContact CG-CD1 3.89Å; L431-L435 WeakPolarHBondContact O-CB 3.5Å; L431-L435 WeakPolarHBondContact O-CG 3.39Å; L431-L435 PolarHBondContact O-N 2.78Å; K432-L435 PolarHBondContact O-N 3.16Å; K432-L435 VanDerWaalsContact O-N 3.08Å; Y433-L435 VanDerWaalsContact C-N 3.29Å; Y433-L435 PolarHBondContact O-N 2.82Å; L435-F441 HydrophobicContact CB-CE1 4.41Å; L435-F441 HydrophobicContact CB-CZ 4.17Å; L435-F441 HydrophobicContact CD2-CE1 3.77Å; L435-F441 HydrophobicContact CD2-CZ 3.96Å; L435-F441 WeakPolarHBondContact O-CE1 3.38Å; L435-R446 PolarHBondContact O-NH1 3.43Å; L435-I448 HydrophobicContact CD1-CD1 4.13Å; L435-I448 HydrophobicContact CD2-CD1 4.07Å
436	E	85.9	Confident	77.3	Confident	61 Å²	61	44.9 Å²	44.9	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-82.2	-12.4	179.5	-69.5	-179.6	157.8	0	0	114.4	L401 R405 K432 Y433 G439	L401-E436 HydrophobicContact CD1-CG 3.72Å; L401-E436 HydrophobicContact CD2-CG 3.82Å; L401-E436 HydrophobicContact CG-CG 4.42Å; R405-E436 IonicContact CZ-OE1 2.86Å; R405-E436 VanDerWaalsContact CZ-OE1 3.29Å; R405-E436 IonicContact NE-OE1 2.83Å; R405-E436 PolarHBondContact NE-OE1 2.62Å; R405-E436 IonicContact NH2-OE1 3.28Å; R405-E436 PolarHBondContact NH2-OE1 3.31Å; K432-E436 VanDerWaalsContact CE-CD 3.45Å; K432-E436 WeakPolarHBondContact CE-OE1 3.28Å; K432-E436 WeakPolarHBondContact CE-OE2 3.12Å; K432-E436 VanDerWaalsContact CG-CD 3.47Å; K432-E436 HydrophobicContact CG-CG 4.24Å; K432-E436 VanDerWaalsContact CG-OE2 3.24Å; K432-E436 WeakPolarHBondContact CG-OE2 3.38Å; K432-E436 WeakPolarHBondContact O-CB 3.46Å; K432-E436 WeakPolarHBondContact O-CG 3.41Å; K432-E436 PolarHBondContact O-N 3.38Å; Y433-E436 PolarHBondContact O-N 3.49Å; E436-G439 PolarHBondContact O-N 2.8Å; E436-G439 VanDerWaalsContact O-N 3.16Å
437	M	77.4	Confident	77.1	Confident	22 Å²	22	44.1 Å²	44.1	11%	0.108	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-47.9	145	174.2	-84.6	-174.1	82.3	0	0	112.3	Y433 G439 R446 L680	Y433-M437 WeakPolarHBondContact O-CG 3.35Å; Y433-M437 PolarHBondContact O-N 3.33Å; M437-G439 PolarHBondContact O-N 2.79Å; M437-R446 VanDerWaalsContact C-NH2 3.3Å; M437-R446 PolarHBondContact O-NH1 2.75Å; M437-R446 PolarHBondContact O-NH2 2.85Å; M437-L680 HydrophobicContact CG-CD1 3.69Å; M437-L680 HydrophobicContact SD-CD1 3.49Å; M437-L680 WeakPolarHBondContact SD-CD1 3.33Å
438	Y	70.8	Confident	77.1	Confident	81 Å²	81	40.8 Å²	40.8	32%	0.318	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	58.4	9.2	-179.9	-41.3	-40.9	0	0	0	115.3	S440 E495 Q674	Y438-S440 PolarHBondContact O-N 3.31Å; Y438-E495 WeakPolarHBondContact CE2-OE2 3.4Å; Y438-Q674 HydrophobicContact CD1-CB 4.3Å; Y438-Q674 WeakPolarHBondContact CD1-O 3.2Å; Y438-Q674 HydrophobicContact CE1-CB 3.63Å; Y438-Q674 WeakPolarHBondContact CE1-O 3.48Å; Y438-Q674 PolarHBondContact OH-OE1 3.06Å
439	G	65.6	Low	77	Confident	76 Å²	76	41.9 Å²	41.9	78%	0.784	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	68.5	-10.4	174	0	0	0	0	0	116.3	E436 M437	E436-G439 PolarHBondContact O-N 2.8Å; E436-G439 VanDerWaalsContact O-N 3.16Å; M437-G439 PolarHBondContact O-N 2.79Å
440	S	66.2	Low	77.1	Confident	53 Å²	53	39.6 Å²	39.6	37%	0.371	24%	0.235	S	C	.	.	S	Bend	trans	-149.3	165.1	-177.6	65.8	0	0	0	0	111.9	Y438 S442 R446	Y438-S440 PolarHBondContact O-N 3.31Å; S440-S442 VanDerWaalsContact C-N 3.26Å; S440-S442 PolarHBondContact O-N 3.28Å; S440-S442 PolarHBondContact OG-OG 2.89Å; S440-R446 PolarHBondContact O-NH1 2.91Å
441	F	68.4	Low	77.2	Confident	28 Å²	28	41.3 Å²	41.3	12%	0.123	24%	0.242	C	C	.	.	S	Bend	trans	-93.1	39.5	170.6	-69	-62.3	0	0	0	112.1	P394 L397 Q398 L401 L435 I444	P394-F441 HydrophobicContact CB-CB 3.76Å; P394-F441 HydrophobicContact CG-CB 4.42Å; L397-F441 HydrophobicContact CB-CD1 4Å; L397-F441 HydrophobicContact CB-CE1 3.66Å; L397-F441 HydrophobicContact CB-CE2 4.33Å; L397-F441 HydrophobicContact CB-CG 4.47Å; L397-F441 HydrophobicContact CB-CZ 3.84Å; L397-F441 HydrophobicContact CD1-CD1 4.21Å; L397-F441 HydrophobicContact CD1-CE1 4.38Å; Q398-F441 HydrophobicContact CB-CD2 4.15Å; Q398-F441 HydrophobicContact CB-CE2 3.8Å; L401-F441 HydrophobicContact CB-CZ 4.48Å; L401-F441 HydrophobicContact CD2-CE2 4.3Å; L401-F441 HydrophobicContact CD2-CZ 4.16Å; L435-F441 HydrophobicContact CB-CE1 4.41Å; L435-F441 HydrophobicContact CB-CZ 4.17Å; L435-F441 HydrophobicContact CD2-CE1 3.77Å; L435-F441 HydrophobicContact CD2-CZ 3.96Å; L435-F441 WeakPolarHBondContact O-CE1 3.38Å; F441-I444 HydrophobicContact CB-CD1 3.87Å; F441-I444 HydrophobicContact CD1-CD1 4.1Å; F441-I444 HydrophobicContact CD1-CG2 4.2Å; F441-I444 HydrophobicContact CG-CD1 4.41Å; F441-I444 WeakPolarHBondContact O-CG1 3.47Å
442	S	48.5	Very low	77.1	Confident	73 Å²	73	45.6 Å²	45.6	51%	0.51	26%	0.259	S	S	.	.	S	Bend	trans	-90.5	145.3	170.7	63.6	0	0	0	0	111	S440 I444	S440-S442 VanDerWaalsContact C-N 3.26Å; S440-S442 PolarHBondContact O-N 3.28Å; S440-S442 PolarHBondContact OG-OG 2.89Å; S442-I444 PolarHBondContact O-N 3.42Å
443	G	50.8	Low	76.9	Confident	75 Å²	75	44.4 Å²	44.4	77%	0.773	25%	0.254	S	S	*	.	S	Bend	trans	63.9	4.3	175.4	0	0	0	0	0	117.7
444	I	49.9	Very low	76.3	Confident	38 Å²	38	43.2 Å²	43.2	20%	0.195	26%	0.256	C	S	.	.			trans	-59.9	132.4	-164	25.2	165.5	0	0	0	117	P394 L397 F441 S442 R446	P394-I444 HydrophobicContact CG-CD1 4.27Å; L397-I444 HydrophobicContact CD1-CD1 3.53Å; F441-I444 HydrophobicContact CB-CD1 3.87Å; F441-I444 HydrophobicContact CD1-CD1 4.1Å; F441-I444 HydrophobicContact CD1-CG2 4.2Å; F441-I444 HydrophobicContact CG-CD1 4.41Å; F441-I444 WeakPolarHBondContact O-CG1 3.47Å; S442-I444 PolarHBondContact O-N 3.42Å; I444-R446 HydrophobicContact CB-CB 4.38Å; I444-R446 HydrophobicContact CG2-CB 4Å; I444-R446 HydrophobicContact CG2-CG 3.83Å
445	N	62.8	Low	75.3	Confident	61 Å²	61	49.6 Å²	49.6	33%	0.326	29%	0.285	S	S	.	.			trans	-102.2	18.8	156.9	-57.9	-99.2	0	0	0	112.4	K447 E495	N445-K447 PolarHBondContact O-N 3.41Å; N445-E495 WeakPolarHBondContact CA-OE1 3.45Å; N445-E495 HydrophobicContact CB-CG 3.86Å; N445-E495 WeakPolarHBondContact CB-OE1 2.57Å; N445-E495 PolarHBondContact N-OE1 3.42Å; N445-E495 WeakPolarHBondContact ND2-CG 3.5Å; N445-E495 PolarHBondContact ND2-OE1 2.81Å
446	R	76	Confident	74.1	Confident	10 Å²	10	50.4 Å²	50.4	4%	0.038	30%	0.295	C	S	.	.			trans	-68.3	122.3	170.6	-67.6	173.1	-156.8	144.9	21.9	109.5	L397 V434 L435 M437 S440 I444 K491 W492	L397-R446 HydrophobicContact CD1-CB 4.26Å; V434-R446 WeakPolarHBondContact O-CD 3.32Å; V434-R446 PolarHBondContact O-NE 3.02Å; L435-R446 PolarHBondContact O-NH1 3.43Å; M437-R446 VanDerWaalsContact C-NH2 3.3Å; M437-R446 PolarHBondContact O-NH1 2.75Å; M437-R446 PolarHBondContact O-NH2 2.85Å; S440-R446 PolarHBondContact O-NH1 2.91Å; I444-R446 HydrophobicContact CB-CB 4.38Å; I444-R446 HydrophobicContact CG2-CB 4Å; I444-R446 HydrophobicContact CG2-CG 3.83Å; R446-K491 WeakPolarHBondContact CA-O 3.11Å; R446-W492 HydrophobicContact CG-CB 4.37Å
447	K	83	Confident	72.6	Confident	47 Å²	47	50.6 Å²	50.6	20%	0.204	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.1	171.1	-169.1	-156.8	175.3	-168.5	0	109.8	I391 K392 N445 K491	I391-K447 WeakPolarHBondContact O-CG 3.47Å; K392-K447 HydrophobicContact CG-CG 4.29Å; N445-K447 PolarHBondContact O-N 3.41Å; K447-K491 PolarHBondContact N-O 3.13Å; K447-K491 PolarHBondContact O-N 2.85Å
448	I	91.3	Very high	71.2	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.3	163.8	-60.4	-177.9	0	0	0	108.5	I391 L397 I400 L431 L435 L450 V488 V489 A490	I391-I448 HydrophobicContact CB-CB 4.21Å; I391-I448 HydrophobicContact CD1-CB 4.19Å; I391-I448 HydrophobicContact CD1-CG2 3.99Å; I391-I448 PolarHBondContact N-O 2.84Å; I391-I448 PolarHBondContact O-N 2.86Å; L397-I448 HydrophobicContact CD2-CB 4.35Å; L397-I448 HydrophobicContact CD2-CD1 4.01Å; L397-I448 HydrophobicContact CD2-CG1 3.94Å; I400-I448 HydrophobicContact CB-CD1 4.36Å; I400-I448 HydrophobicContact CD1-CD1 4.15Å; I400-I448 HydrophobicContact CD1-CG2 4.1Å; I400-I448 HydrophobicContact CG2-CD1 3.74Å; L431-I448 HydrophobicContact CD1-CD1 3.97Å; L435-I448 HydrophobicContact CD1-CD1 4.13Å; L435-I448 HydrophobicContact CD2-CD1 4.07Å; I448-L450 HydrophobicContact CG2-CD2 3.93Å; I448-L450 HydrophobicContact CG2-CG 4.42Å; I448-V488 HydrophobicContact CG2-CG1 4.03Å; I448-V489 CarbonylContact C-O 3.59Å; I448-A490 HydrophobicContact CG1-CB 4.14Å
449	Q	91.9	Very high	69.8	Low	23 Å²	23	57.4 Å²	57.4	11%	0.107	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	112.8	175.1	177.3	176.2	-24.8	0	0	108	E388 L389 K390 V489	E388-Q449 HydrophobicContact CG-CG 3.95Å; E388-Q449 PolarHBondContact OE1-NE2 3.05Å; E388-Q449 PolarHBondContact OE2-NE2 3.03Å; L389-Q449 CarbonylContact O-C 3.59Å; L389-Q449 VanDerWaalsContact O-CA 3.29Å; L389-Q449 WeakPolarHBondContact O-CA 3.29Å; K390-Q449 HydrophobicContact CG-CG 4.48Å; Q449-V489 HydrophobicContact CB-CB 4.35Å; Q449-V489 PolarHBondContact N-O 2.86Å; Q449-V489 PolarHBondContact O-N 3.1Å
450	L	93.5	Very high	68.3	Low	0 Å²	0	57.8 Å²	57.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.1	175.6	-54.7	-176.2	0	0	0	108.6	F374 F377 F378 E388 L389 I391 I448 L486 L487 V488	F374-L450 HydrophobicContact CD1-CD2 4.42Å; F377-L450 HydrophobicContact CD1-CD1 3.95Å; F377-L450 HydrophobicContact CE1-CD1 4.34Å; F378-L450 HydrophobicContact CB-CD1 4.38Å; F378-L450 HydrophobicContact CD2-CB 3.73Å; F378-L450 HydrophobicContact CD2-CD1 4.07Å; F378-L450 HydrophobicContact CE2-CB 4.03Å; E388-L450 CarbonylContact C-O 3.52Å; E388-L450 WeakPolarHBondContact CA-O 3.36Å; L389-L450 HydrophobicContact CB-CB 4.38Å; L389-L450 HydrophobicContact CD2-CD1 4.39Å; L389-L450 PolarHBondContact N-O 3.05Å; L389-L450 PolarHBondContact O-N 3.1Å; I391-L450 HydrophobicContact CD1-CD1 4.19Å; I391-L450 HydrophobicContact CD1-CG 4.09Å; I448-L450 HydrophobicContact CG2-CD2 3.93Å; I448-L450 HydrophobicContact CG2-CG 4.42Å; L450-L486 HydrophobicContact CB-CD2 4.44Å; L450-L487 WeakPolarHBondContact CA-O 3.38Å; L450-V488 HydrophobicContact CD2-CB 4.1Å; L450-V488 HydrophobicContact CD2-CG1 3.96Å; L450-V488 HydrophobicContact CD2-CG2 3.81Å
451	K	91.8	Very high	66.7	Low	66 Å²	66	57.4 Å²	57.4	29%	0.287	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.7	173.4	-69.5	171.1	172.1	-74.2	0	110	R387 E388 L486 L487	R387-K451 WeakPolarHBondContact O-CA 3.31Å; E388-K451 HydrophobicContact CB-CG 4.41Å; E388-K451 HydrophobicContact CG-CG 4.22Å; E388-K451 WeakPolarHBondContact OE2-CE 3.14Å; E388-K451 IonicContact OE2-NZ 3.98Å; E388-K451 PolarHBondContact OE2-NZ 3.29Å; K451-L486 WeakPolarHBondContact O-CA 3.33Å; K451-L487 HydrophobicContact CB-CB 4.35Å; K451-L487 HydrophobicContact CD-CD2 4.3Å; K451-L487 PolarHBondContact N-O 3.37Å; K451-L487 PolarHBondContact O-N 2.99Å
452	Y	90.1	Very high	65	Low	91 Å²	91	65.9 Å²	65.9	36%	0.357	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.1	175.8	-176.7	-116.9	0	0	0	110.9	F375 R387 P454 P484 L486	F375-Y452 HydrophobicContact CE1-CD2 4.06Å; F375-Y452 AromaticContact CE1-CE2 3.91Å; F375-Y452 HydrophobicContact CE1-CE2 3.91Å; R387-Y452 PolarHBondContact O-N 3.45Å; Y452-P454 HydrophobicContact CD1-CB 4.46Å; Y452-P454 HydrophobicContact CE1-CB 3.74Å; Y452-P454 HydrophobicContact CE1-CG 4.38Å; Y452-P484 HydrophobicContact CE2-CB 3.82Å; Y452-L486 HydrophobicContact CD2-CD2 4.39Å
453	Q	86.5	Confident	64.4	Low	39 Å²	39	66 Å²	66	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	102.8	174.7	-59	-168.7	27.8	0	0	108.6	H455 I457 P484 C485 L487	Q453-H455 VanDerWaalsContact C-N 3.29Å; Q453-H455 PolarHBondContact O-N 2.74Å; Q453-I457 VanDerWaalsContact OE1-CG1 3.27Å; Q453-P484 CarbonylContact O-C 3.56Å; Q453-P484 VanDerWaalsContact O-CA 3.29Å; Q453-P484 WeakPolarHBondContact O-CA 3.36Å; Q453-C485 PolarHBondContact N-O 2.83Å; Q453-C485 PolarHBondContact O-N 3.28Å; Q453-L487 VanDerWaalsContact NE2-CB 3.34Å
454	P	75.8	Confident	63.3	Low	54 Å²	54	66.4 Å²	66.4	35%	0.351	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.8	-169.6	24.1	-33	0	0	0	116	Y452	Y452-P454 HydrophobicContact CD1-CB 4.46Å; Y452-P454 HydrophobicContact CE1-CB 3.74Å; Y452-P454 HydrophobicContact CE1-CG 4.38Å
455	H	67.8	Low	62.5	Low	136 Å²	136	70 Å²	70	63%	0.63	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	30.7	-174.8	-53.6	109.6	0	0	0	112	Q453 T482	Q453-H455 VanDerWaalsContact C-N 3.29Å; Q453-H455 PolarHBondContact O-N 2.74Å; H455-T482 WeakPolarHBondContact CA-O 3.49Å
456	G	61.7	Low	60.9	Low	22 Å²	22	69.1 Å²	69.1	23%	0.227	39%	0.388	C	S	.	.			trans	52.3	-146.4	-169.5	0	0	0	0	0	113.6	Q483	G456-Q483 PolarHBondContact N-O 2.76Å
457	I	54.8	Low	58.9	Low	65 Å²	65	73.1 Å²	73.1	33%	0.333	42%	0.417	S	S	.	.			trans	-112	92.8	169	-56.1	177.4	0	0	0	108	Q453 I463	Q453-I457 VanDerWaalsContact OE1-CG1 3.27Å; I457-I463 HydrophobicContact CD1-CD1 4.17Å; I457-I463 HydrophobicContact CG2-CD1 4.49Å
458	G	47.9	Very low	56.3	Low	48 Å²	48	74.8 Å²	74.8	50%	0.495	44%	0.435	S	S	.	.			trans	-54.8	143.3	175.1	0	0	0	0	0	112.6	G460 S461	G458-G460 PolarHBondContact O-N 2.9Å; G458-S461 PolarHBondContact O-N 2.85Å
459	K	41.4	Very low	53.5	Low	198 Å²	198	81.3 Å²	81.3	86%	0.861	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-11.3	-169.3	-67.5	177.6	178.2	172.9	0	116
460	G	34.3	Very low	50.5	Low	83 Å²	83	86.1 Å²	86.1	86%	0.856	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.3	179.8	0	0	0	0	0	116.9	G458	G458-G460 PolarHBondContact O-N 2.9Å
461	S	32.1	Very low	47.6	Very low	46 Å²	46	92.7 Å²	92.7	32%	0.322	54%	0.535	S	S	.	.			trans	-107.1	100.2	178.5	-150.8	0	0	0	0	112.9	G458 I463 R1413	G458-S461 PolarHBondContact O-N 2.85Å; S461-I463 PolarHBondContact O-N 3.26Å; S461-R1413 PolarHBondContact OG-NH2 3.46Å
462	K	32.6	Very low	44.5	Very low	205 Å²	205	94.6 Å²	94.6	89%	0.891	56%	0.557	S	S	*	*			trans	-62	81.5	167.8	-75.9	-171.7	175.7	-176	0	111.2	R1413	K462-R1413 PolarHBondContact O-NH1 2.6Å
463	I	36	Very low	41.6	Very low	76 Å²	76	93.9 Å²	93.9	39%	0.39	57%	0.565	S	S	.	*			trans	-81.4	119.9	157	-64.3	173.4	0	0	0	105.6	I457 S461 Y465	I457-I463 HydrophobicContact CD1-CD1 4.17Å; I457-I463 HydrophobicContact CG2-CD1 4.49Å; S461-I463 PolarHBondContact O-N 3.26Å; I463-Y465 VanDerWaalsContact C-N 3.31Å; I463-Y465 HydrophobicContact CB-CD2 4.42Å; I463-Y465 HydrophobicContact CG2-CD2 3.81Å; I463-Y465 HydrophobicContact CG2-CE2 3.99Å; I463-Y465 HydrophobicContact CG2-CG 4.48Å; I463-Y465 PolarHBondContact O-N 3.39Å
464	G	27.6	Very low	38.8	Very low	84 Å²	84	100 Å²	100	87%	0.866	60%	0.599	S	S	*	*			trans	-65.4	90	173.9	0	0	0	0	0	110.6
465	Y	34	Very low	36.7	Very low	114 Å²	114	101.5 Å²	101.5	45%	0.447	61%	0.61	S	S	.	*			trans	-97	106	166.8	-93.2	-63.6	0	0	0	108.4	E368 I463 S467	E368-Y465 PolarHBondContact OE1-OH 3.06Å; I463-Y465 VanDerWaalsContact C-N 3.31Å; I463-Y465 HydrophobicContact CB-CD2 4.42Å; I463-Y465 HydrophobicContact CG2-CD2 3.81Å; I463-Y465 HydrophobicContact CG2-CE2 3.99Å; I463-Y465 HydrophobicContact CG2-CG 4.48Å; I463-Y465 PolarHBondContact O-N 3.39Å; Y465-S467 VanDerWaalsContact C-N 3.29Å; Y465-S467 PolarHBondContact O-N 3.18Å
466	S	29.2	Very low	34.8	Very low	42 Å²	42	101.8 Å²	101.8	29%	0.294	62%	0.621	S	S	.	*			trans	-63.5	94.2	160.9	171.2	0	0	0	0	108.4	K690	S466-K690 WeakPolarHBondContact O-CE 3.26Å; S466-K690 PolarHBondContact O-NZ 2.81Å; S466-K690 WeakPolarHBondContact OG-CE 3.42Å
467	S	32.8	Very low	33.5	Very low	93 Å²	93	107.4 Å²	107.4	65%	0.65	65%	0.646	S	S	*	*			trans	-145.1	34	166.8	59.4	0	0	0	0	110.8	Y465 I469	Y465-S467 VanDerWaalsContact C-N 3.29Å; Y465-S467 PolarHBondContact O-N 3.18Å; S467-I469 PolarHBondContact O-N 3.49Å
468	S	29.2	Very low	32.5	Very low	83 Å²	83	114.1 Å²	114.1	58%	0.58	68%	0.676	S	S	*	*			trans	-77.1	69.1	171.5	54.2	0	0	0	0	110.9
469	I	33.4	Very low	31.9	Very low	139 Å²	139	116.4 Å²	116.4	71%	0.713	68%	0.684	S	S	*	*			trans	-102	104.2	145.7	-53	-179.7	0	0	0	104.9	S467 I471	S467-I469 PolarHBondContact O-N 3.49Å; I469-I471 HydrophobicContact CG2-CD1 4.37Å; I469-I471 HydrophobicContact CG2-CG1 3.81Å; I469-I471 PolarHBondContact O-N 3.05Å
470	P	28.4	Very low	31.9	Very low	125 Å²	125	112.7 Å²	112.7	81%	0.812	67%	0.673	S	S	*	*			trans	-75.1	78.6	175.8	31.7	-33.7	0	0	0	109.4	S472	P470-S472 PolarHBondContact O-N 2.68Å
471	I	31.9	Very low	32.7	Very low	137 Å²	137	113.2 Å²	113.2	70%	0.703	66%	0.656	S	S	*	*			trans	-80.5	102.5	159	-54.8	-175.9	0	0	0	105.9	I469 C473	I469-I471 HydrophobicContact CG2-CD1 4.37Å; I469-I471 HydrophobicContact CG2-CG1 3.81Å; I469-I471 PolarHBondContact O-N 3.05Å; I471-C473 PolarHBondContact O-N 3.43Å; I471-C473 VanDerWaalsContact O-N 3.12Å
472	S	26	Very low	34	Very low	107 Å²	107	114.7 Å²	114.7	75%	0.748	66%	0.663	S	S	*	*			trans	-62.5	107.7	171.4	48.7	0	0	0	0	109.6	P470	P470-S472 PolarHBondContact O-N 2.68Å
473	C	30.8	Very low	35.7	Very low	76 Å²	76	111.6 Å²	111.6	51%	0.514	65%	0.652	S	S	.	*			trans	-105.8	105.9	163.7	53.6	0	0	0	0	108.4	I471 C475	I471-C473 PolarHBondContact O-N 3.43Å; I471-C473 VanDerWaalsContact O-N 3.12Å; C473-C475 VanDerWaalsContact C-N 3.27Å; C473-C475 PolarHBondContact O-N 3.39Å
474	D	27.4	Very low	37.9	Very low	166 Å²	166	110.5 Å²	110.5	89%	0.888	65%	0.65	S	S	*	*			trans	-70.9	86.6	168.4	-74.5	-45.8	0	0	0	109.2
475	C	30.6	Very low	40.9	Very low	87 Å²	87	106.9 Å²	106.9	59%	0.588	61%	0.611	S	S	*	*			trans	-135.6	89.7	164.7	42.9	0	0	0	0	109	C473 D477	C473-C475 VanDerWaalsContact C-N 3.27Å; C473-C475 PolarHBondContact O-N 3.39Å; C475-D477 VanDerWaalsContact C-N 3.28Å; C475-D477 PolarHBondContact O-N 2.98Å
476	T	28.3	Very low	43.6	Very low	142 Å²	142	101.5 Å²	101.5	87%	0.871	59%	0.59	S	S	*	*			trans	-75.1	77.9	173.2	50.4	0	0	0	0	110.5
477	D	34.6	Very low	46.6	Very low	139 Å²	139	100.5 Å²	100.5	74%	0.743	58%	0.582	S	S	*	*			trans	-121.3	124.5	167.7	-83.9	-55.1	0	0	0	110	C475 C479	C475-D477 VanDerWaalsContact C-N 3.28Å; C475-D477 PolarHBondContact O-N 2.98Å; D477-C479 VanDerWaalsContact C-N 3.29Å; D477-C479 PolarHBondContact O-N 3.41Å
478	E	33.2	Very low	49.5	Very low	206 Å²	206	96.2 Å²	96.2	96%	0.963	55%	0.551	S	S	*	*			trans	-77	76.8	177.7	-65.8	-157.2	121.6	0	0	111.1	D480	E478-D480 PolarHBondContact O-N 2.98Å
479	C	37	Very low	52.6	Low	97 Å²	97	93 Å²	93	66%	0.655	53%	0.528	S	S	*	.			trans	-74.1	120.8	173.2	67.9	0	0	0	0	111.3	D477 N481	D477-C479 VanDerWaalsContact C-N 3.29Å; D477-C479 PolarHBondContact O-N 3.41Å; C479-N481 PolarHBondContact O-N 3.1Å; C479-N481 VanDerWaalsContact O-N 3.11Å; C479-N481 PolarHBondContact O-ND2 3.43Å
480	D	41.3	Very low	55.4	Low	120 Å²	120	86.4 Å²	86.4	64%	0.642	50%	0.495	S	S	*	.			trans	-66	110.3	-172.5	-157.6	-27.6	0	0	0	111.2	E478 T482	E478-D480 PolarHBondContact O-N 2.98Å; D480-T482 PolarHBondContact O-N 3Å; D480-T482 WeakPolarHBondContact OD1-CB 3.45Å; D480-T482 WeakPolarHBondContact OD1-CG2 3.33Å; D480-T482 PolarHBondContact OD1-OG1 3.14Å
481	N	51.2	Low	58.3	Low	94 Å²	94	84 Å²	84	50%	0.503	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	32.9	-171.8	-92.7	-109.1	0	0	0	112.9	C479	C479-N481 PolarHBondContact O-N 3.1Å; C479-N481 VanDerWaalsContact O-N 3.11Å; C479-N481 PolarHBondContact O-ND2 3.43Å
482	T	57.5	Low	61	Low	77 Å²	77	78 Å²	78	47%	0.472	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-8.7	-174.5	48.6	0	0	0	0	113.6	H455 D480	H455-T482 WeakPolarHBondContact CA-O 3.49Å; D480-T482 PolarHBondContact O-N 3Å; D480-T482 WeakPolarHBondContact OD1-CB 3.45Å; D480-T482 WeakPolarHBondContact OD1-CG2 3.33Å; D480-T482 PolarHBondContact OD1-OG1 3.14Å
483	Q	69.1	Low	63.8	Low	140 Å²	140	73.5 Å²	73.5	65%	0.654	41%	0.41	S	S	*	.			trans	-61.1	142.2	-177.8	-67.7	-168.1	0.2	0	0	113.2	G456	G456-Q483 PolarHBondContact N-O 2.76Å
484	P	82.8	Confident	66.5	Low	52 Å²	52	70 Å²	70	34%	0.338	39%	0.387	S	S	.	.			trans	-71	144.7	177	29.9	-35.1	0	0	0	111.5	F375 Y452 Q453	F375-P484 WeakPolarHBondContact CZ-O 3.39Å; Y452-P484 HydrophobicContact CE2-CB 3.82Å; Q453-P484 CarbonylContact O-C 3.56Å; Q453-P484 VanDerWaalsContact O-CA 3.29Å; Q453-P484 WeakPolarHBondContact O-CA 3.36Å
485	C	89.5	Confident	69.2	Low	9 Å²	9	63.1 Å²	63.1	6%	0.061	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	162.9	175.9	78.9	0	0	0	0	112.8	Q453	Q453-C485 PolarHBondContact N-O 2.83Å; Q453-C485 PolarHBondContact O-N 3.28Å
486	L	91	Very high	72.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.3	172.2	-76.9	165.7	0	0	0	110.4	E368 V369 F374 F375 F378 L450 K451 Y452 V488	E368-L486 CarbonylContact C-O 3.49Å; E368-L486 WeakPolarHBondContact CA-O 3.11Å; V369-L486 HydrophobicContact CG2-CB 3.91Å; V369-L486 PolarHBondContact N-O 2.85Å; V369-L486 PolarHBondContact O-N 3.1Å; F374-L486 HydrophobicContact CB-CD1 4.04Å; F374-L486 WeakPolarHBondContact O-CD1 3.24Å; F375-L486 HydrophobicContact CD1-CD1 3.54Å; F375-L486 HydrophobicContact CD1-CG 3.91Å; F375-L486 HydrophobicContact CE1-CD1 3.81Å; F375-L486 HydrophobicContact CE1-CG 3.65Å; F375-L486 HydrophobicContact CG-CD1 3.94Å; F375-L486 HydrophobicContact CZ-CD1 4.43Å; F375-L486 HydrophobicContact CZ-CG 4.21Å; F378-L486 HydrophobicContact CB-CD1 3.87Å; F378-L486 HydrophobicContact CB-CD2 4.22Å; F378-L486 HydrophobicContact CD1-CD2 4.22Å; F378-L486 HydrophobicContact CD2-CD2 3.62Å; F378-L486 HydrophobicContact CE2-CD2 3.97Å; F378-L486 HydrophobicContact CG-CD1 4.33Å; F378-L486 HydrophobicContact CG-CD2 3.76Å; F378-L486 HydrophobicContact CZ-CD2 4.42Å; L450-L486 HydrophobicContact CB-CD2 4.44Å; K451-L486 WeakPolarHBondContact O-CA 3.33Å; Y452-L486 HydrophobicContact CD2-CD2 4.39Å; L486-V488 PolarHBondContact O-N 3.5Å
487	L	92.6	Very high	75	Confident	22 Å²	22	52.9 Å²	52.9	12%	0.115	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	105.3	169.9	174.4	66.8	0	0	0	109.8	K366 E368 L450 K451 Q453 V489	K366-L487 HydrophobicContact CB-CD1 4.15Å; E368-L487 HydrophobicContact CG-CD1 4.23Å; L450-L487 WeakPolarHBondContact CA-O 3.38Å; K451-L487 HydrophobicContact CB-CB 4.35Å; K451-L487 HydrophobicContact CD-CD2 4.3Å; K451-L487 PolarHBondContact N-O 3.37Å; K451-L487 PolarHBondContact O-N 2.99Å; Q453-L487 VanDerWaalsContact NE2-CB 3.34Å; L487-V489 HydrophobicContact CD2-CG2 4.2Å; L487-V489 HydrophobicContact CG-CG2 3.93Å
488	V	94.4	Very high	77.6	Confident	2 Å²	2	49 Å²	49	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.9	170.6	-169.5	0	0	0	0	109.2	K366 M367 V369 F374 L431 I448 L450 L486	K366-V488 WeakPolarHBondContact CA-O 3.44Å; M367-V488 HydrophobicContact CE-CG1 4.41Å; M367-V488 HydrophobicContact CG-CB 3.86Å; M367-V488 HydrophobicContact CG-CG2 4.16Å; M367-V488 PolarHBondContact N-O 2.81Å; M367-V488 WeakPolarHBondContact O-CB 3.49Å; M367-V488 PolarHBondContact O-N 3.4Å; V369-V488 HydrophobicContact CB-CG2 4.42Å; V369-V488 HydrophobicContact CG1-CG2 3.84Å; V369-V488 HydrophobicContact CG2-CG2 3.67Å; F374-V488 HydrophobicContact CD1-CG2 4.38Å; F374-V488 HydrophobicContact CE1-CG2 4.19Å; L431-V488 HydrophobicContact CD2-CG1 4.32Å; I448-V488 HydrophobicContact CG2-CG1 4.03Å; L450-V488 HydrophobicContact CD2-CB 4.1Å; L450-V488 HydrophobicContact CD2-CG1 3.96Å; L450-V488 HydrophobicContact CD2-CG2 3.81Å; L486-V488 PolarHBondContact O-N 3.5Å
489	V	93.8	Very high	80.2	Confident	16 Å²	16	40 Å²	40	10%	0.097	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	99.4	172.3	-172.5	0	0	0	0	109	K366 I448 Q449 L487	K366-V489 HydrophobicContact CG-CG2 4.34Å; I448-V489 CarbonylContact C-O 3.59Å; Q449-V489 HydrophobicContact CB-CB 4.35Å; Q449-V489 PolarHBondContact N-O 2.86Å; Q449-V489 PolarHBondContact O-N 3.1Å; L487-V489 HydrophobicContact CD2-CG2 4.2Å; L487-V489 HydrophobicContact CG-CG2 3.93Å
490	A	92.2	Very high	82.9	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.4	173.5	0	0	0	0	0	111.1	M365 L431 I448	M365-A490 HydrophobicContact CG-CB 3.93Å; M365-A490 PolarHBondContact N-O 2.87Å; M365-A490 PolarHBondContact O-N 2.84Å; M365-A490 HydrophobicContact SD-CB 4.29Å; L431-A490 HydrophobicContact CD1-CB 3.75Å; I448-A490 HydrophobicContact CG1-CB 4.14Å
491	K	89	Confident	85.3	Confident	74 Å²	74	33.7 Å²	33.7	32%	0.322	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.9	176.5	-59.8	-173.9	-178.8	-171.9	0	109.9	Q363 K364 R446 K447	Q363-K491 WeakPolarHBondContact O-CA 3.39Å; K364-K491 HydrophobicContact CB-CG 4.49Å; R446-K491 WeakPolarHBondContact CA-O 3.11Å; K447-K491 PolarHBondContact N-O 3.13Å; K447-K491 PolarHBondContact O-N 2.85Å
492	W	88	Confident	87.2	Confident	10 Å²	10	34.4 Å²	34.4	4%	0.038	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	170.9	180	68.6	103.1	0	0	0	110.2	Q363 M365 V434 R446 L680	Q363-W492 HydrophobicContact CB-CD2 3.69Å; Q363-W492 HydrophobicContact CB-CE3 4.18Å; Q363-W492 HydrophobicContact CB-CG 4.19Å; Q363-W492 HydrophobicContact CB-CH2 4.05Å; Q363-W492 HydrophobicContact CB-CZ2 3.52Å; Q363-W492 HydrophobicContact CB-CZ3 4.34Å; Q363-W492 HydrophobicContact CG-CZ2 4.26Å; Q363-W492 PolarHBondContact N-O 3.43Å; Q363-W492 PolarHBondContact O-N 3.34Å; M365-W492 HydrophobicContact CB-CH2 4.01Å; M365-W492 HydrophobicContact CB-CZ3 3.9Å; M365-W492 HydrophobicContact CG-CH2 4.29Å; M365-W492 HydrophobicContact CG-CZ3 3.82Å; M365-W492 HydrophobicContact SD-CH2 4.36Å; M365-W492 HydrophobicContact SD-CZ3 4.14Å; V434-W492 HydrophobicContact CB-CD2 4.3Å; V434-W492 HydrophobicContact CB-CE3 4.45Å; V434-W492 HydrophobicContact CG1-CB 3.83Å; V434-W492 HydrophobicContact CG1-CD2 3.7Å; V434-W492 HydrophobicContact CG1-CE3 3.77Å; V434-W492 HydrophobicContact CG1-CG 3.75Å; V434-W492 HydrophobicContact CG2-CD2 3.52Å; V434-W492 VanDerWaalsContact CG2-CE2 3.43Å; V434-W492 HydrophobicContact CG2-CE3 3.78Å; V434-W492 HydrophobicContact CG2-CG 4.09Å; V434-W492 HydrophobicContact CG2-CH2 3.92Å; V434-W492 HydrophobicContact CG2-CZ2 3.65Å; V434-W492 HydrophobicContact CG2-CZ3 3.98Å; R446-W492 HydrophobicContact CG-CB 4.37Å; W492-L680 HydrophobicContact CZ2-CD2 4.48Å
493	G	85.9	Confident	88.8	Confident	13 Å²	13	31 Å²	31	13%	0.134	17%	0.167	C	C	.	.			trans	67.5	-172.2	-170.5	0	0	0	0	0	112.6	T360 E495	T360-G493 WeakPolarHBondContact OG1-CA 3.36Å; G493-E495 VanDerWaalsContact C-N 3.33Å
494	G	86.3	Confident	90	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.021	14%	0.136	C	C	.	.			trans	76.1	24.7	-166.5	0	0	0	0	0	112.7	T360 R550	T360-G494 WeakPolarHBondContact O-CA 3.45Å; T360-G494 PolarHBondContact O-N 2.96Å; T360-G494 PolarHBondContact OG1-N 3.12Å; G494-R550 VanDerWaalsContact O-CD 3.3Å; G494-R550 WeakPolarHBondContact O-CD 3.29Å; G494-R550 PolarHBondContact O-NH1 3.29Å
495	E	85.5	Confident	90.4	Very high	22 Å²	22	24.2 Å²	24.2	10%	0.103	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-99.7	143.4	-175.2	-47.1	-161.1	130.7	0	0	110.6	R359 T360 Y438 N445 G493 T497	R359-E495 CarbonylContact C-O 3.58Å; R359-E495 WeakPolarHBondContact CA-O 3.4Å; R359-E495 WeakPolarHBondContact CB-O 3.26Å; T360-E495 PolarHBondContact N-O 3.27Å; T360-E495 PolarHBondContact OG1-N 2.95Å; T360-E495 PolarHBondContact OG1-O 3.42Å; Y438-E495 WeakPolarHBondContact CE2-OE2 3.4Å; N445-E495 WeakPolarHBondContact CA-OE1 3.45Å; N445-E495 HydrophobicContact CB-CG 3.86Å; N445-E495 WeakPolarHBondContact CB-OE1 2.57Å; N445-E495 PolarHBondContact N-OE1 3.42Å; N445-E495 WeakPolarHBondContact ND2-CG 3.5Å; N445-E495 PolarHBondContact ND2-OE1 2.81Å; G493-E495 VanDerWaalsContact C-N 3.33Å; E495-T497 PolarHBondContact O-N 2.92Å
496	L	89.9	Confident	90.5	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.079	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-67.7	123.7	-179.1	-165.7	75.6	0	0	0	110.8	D358 K501 R550 M553 T554	D358-L496 WeakPolarHBondContact O-CD1 3.42Å; L496-K501 HydrophobicContact CD2-CG 3.63Å; L496-K501 HydrophobicContact CG-CG 4.17Å; L496-R550 HydrophobicContact CB-CB 3.98Å; L496-R550 HydrophobicContact CD1-CB 4.4Å; L496-M553 HydrophobicContact CB-CB 4.48Å; L496-M553 HydrophobicContact CD2-CB 3.76Å; L496-T554 VanDerWaalsContact CD1-OG1 3.29Å; L496-T554 WeakPolarHBondContact CD1-OG1 3.27Å
497	T	90.4	Very high	90.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-72.2	169.9	-178.5	63.7	0	0	0	0	111.9	D358 T360 E495 A499 G500 K501 Y673	D358-T497 PolarHBondContact O-N 3.04Å; D358-T497 PolarHBondContact O-OG1 3.44Å; D358-T497 WeakPolarHBondContact OD2-CB 3.42Å; D358-T497 VanDerWaalsContact OD2-CG2 3.27Å; D358-T497 WeakPolarHBondContact OD2-CG2 3.41Å; D358-T497 PolarHBondContact OD2-OG1 2.9Å; T360-T497 HydrophobicContact CG2-CG2 4.1Å; E495-T497 PolarHBondContact O-N 2.92Å; T497-A499 VanDerWaalsContact C-N 3.28Å; T497-A499 PolarHBondContact OG1-N 2.82Å; T497-G500 PolarHBondContact O-N 3.01Å; T497-G500 PolarHBondContact OG1-N 3.13Å; T497-K501 WeakPolarHBondContact O-CG 3.34Å; T497-K501 PolarHBondContact O-N 2.67Å; T497-Y673 WeakPolarHBondContact CA-OH 3.5Å; T497-Y673 WeakPolarHBondContact CB-OH 3.27Å; T497-Y673 HydrophobicContact CG2-CE1 4.17Å
498	A	88.7	Confident	90.4	Very high	58 Å²	58	27 Å²	27	48%	0.479	15%	0.147	S	C	.	.	H	α-helix	trans	-60.5	-41	169.4	0	0	0	0	0	111	K501 Q502 Y673	A498-K501 PolarHBondContact O-N 2.65Å; A498-Q502 PolarHBondContact O-N 2.76Å; A498-Y673 PolarHBondContact N-OH 3.45Å
499	A	88.8	Confident	90	Very high	17 Å²	17	30.8 Å²	30.8	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-49.7	172.2	0	0	0	0	0	111.3	T497 K501 Q502 Q503 V1467	T497-A499 VanDerWaalsContact C-N 3.28Å; T497-A499 PolarHBondContact OG1-N 2.82Å; A499-K501 VanDerWaalsContact C-N 3.3Å; A499-K501 PolarHBondContact O-N 3.11Å; A499-Q502 CarbonylContact O-C 3.54Å; A499-Q502 WeakPolarHBondContact O-CA 3.36Å; A499-Q502 PolarHBondContact O-N 3.07Å; A499-Q503 WeakPolarHBondContact O-CG 3.39Å; A499-Q503 PolarHBondContact O-N 3.31Å; A499-V1467 HydrophobicContact CB-CG2 4.23Å
500	G	92	Very high	89.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-35	179.3	0	0	0	0	0	114	T497 A504	T497-G500 PolarHBondContact O-N 3.01Å; T497-G500 PolarHBondContact OG1-N 3.13Å; G500-A504 WeakPolarHBondContact O-CB 3.45Å; G500-A504 PolarHBondContact O-N 2.8Å
501	K	91.9	Very high	89.4	Confident	84 Å²	84	32.9 Å²	32.9	37%	0.365	18%	0.182	S	C	.	.	H	α-helix	trans	-64.7	-47.2	169.6	-68.6	170.4	-175.2	-179.9	0	111.5	L496 T497 A498 A499 A504 E505 A557 L569	L496-K501 HydrophobicContact CD2-CG 3.63Å; L496-K501 HydrophobicContact CG-CG 4.17Å; T497-K501 WeakPolarHBondContact O-CG 3.34Å; T497-K501 PolarHBondContact O-N 2.67Å; A498-K501 PolarHBondContact O-N 2.65Å; A499-K501 VanDerWaalsContact C-N 3.3Å; A499-K501 PolarHBondContact O-N 3.11Å; K501-A504 PolarHBondContact O-N 3.43Å; K501-E505 PolarHBondContact O-N 2.97Å; K501-A557 HydrophobicContact CB-CB 4.42Å; K501-L569 HydrophobicContact CB-CD1 4.46Å; K501-L569 HydrophobicContact CD-CD1 3.89Å; K501-L569 HydrophobicContact CG-CD1 3.93Å
502	Q	91.2	Very high	89	Confident	109 Å²	109	30.7 Å²	30.7	51%	0.509	17%	0.172	S	C	.	.	H	α-helix	trans	-67.5	-40.7	-179	-172.5	173.6	-3.3	0	0	112.4	A498 A499 A504 E505 T506	A498-Q502 PolarHBondContact O-N 2.76Å; A499-Q502 CarbonylContact O-C 3.54Å; A499-Q502 WeakPolarHBondContact O-CA 3.36Å; A499-Q502 PolarHBondContact O-N 3.07Å; Q502-A504 VanDerWaalsContact C-N 3.33Å; Q502-A504 PolarHBondContact O-N 2.78Å; Q502-E505 PolarHBondContact O-N 3.27Å; Q502-T506 WeakPolarHBondContact O-CB 3.48Å; Q502-T506 PolarHBondContact O-N 2.9Å; Q502-T506 PolarHBondContact O-OG1 2.53Å
503	Q	91.2	Very high	88.5	Confident	6 Å²	6	32.2 Å²	32.2	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-48.4	172.6	-70.4	-178.9	-48.5	0	0	110.8	A499 T506 L507 L859 V1467 P1468	A499-Q503 WeakPolarHBondContact O-CG 3.39Å; A499-Q503 PolarHBondContact O-N 3.31Å; Q503-T506 PolarHBondContact O-N 2.9Å; Q503-L507 VanDerWaalsContact O-CB 3.31Å; Q503-L507 WeakPolarHBondContact O-CB 3.07Å; Q503-L507 PolarHBondContact O-N 3.26Å; Q503-L859 HydrophobicContact CB-CD1 3.54Å; Q503-V1467 HydrophobicContact CB-CG1 4.36Å; Q503-V1467 HydrophobicContact CG-CG1 3.23Å; Q503-P1468 PolarHBondContact NE2-O 3.38Å
504	A	94.6	Very high	88.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-43.1	179.7	0	0	0	0	0	111.7	G500 K501 Q502 L507 G508 T554 A557 F558 L859	G500-A504 WeakPolarHBondContact O-CB 3.45Å; G500-A504 PolarHBondContact O-N 2.8Å; K501-A504 PolarHBondContact O-N 3.43Å; Q502-A504 VanDerWaalsContact C-N 3.33Å; Q502-A504 PolarHBondContact O-N 2.78Å; A504-L507 PolarHBondContact O-N 3.02Å; A504-G508 PolarHBondContact O-N 2.88Å; A504-T554 HydrophobicContact CB-CG2 3.87Å; A504-A557 HydrophobicContact CB-CB 3.77Å; A504-F558 HydrophobicContact CB-CB 4.36Å; A504-F558 WeakPolarHBondContact O-CA 3.44Å; A504-L859 HydrophobicContact CB-CD2 4.37Å
505	E	91.7	Very high	87.8	Confident	49 Å²	49	33.4 Å²	33.4	23%	0.229	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-39	176.9	-156.2	-167.2	100.3	0	0	112.3	K501 Q502 G508 K509 A557 K560 G561	K501-E505 PolarHBondContact O-N 2.97Å; Q502-E505 PolarHBondContact O-N 3.27Å; E505-G508 PolarHBondContact O-N 2.89Å; E505-K509 VanDerWaalsContact O-CG 3.32Å; E505-K509 WeakPolarHBondContact O-CG 3.48Å; E505-K509 PolarHBondContact O-N 3.42Å; E505-K509 VanDerWaalsContact O-N 3.1Å; E505-K509 VanDerWaalsContact OE1-CE 3.27Å; E505-K509 WeakPolarHBondContact OE1-CE 3.29Å; E505-K509 IonicContact OE1-NZ 3.4Å; E505-K509 PolarHBondContact OE1-NZ 3.12Å; E505-A557 WeakPolarHBondContact CA-O 3.45Å; E505-K560 HydrophobicContact CG-CB 4.43Å; E505-K560 HydrophobicContact CG-CG 4.32Å; E505-K560 VanDerWaalsContact OE2-CD 3.27Å; E505-K560 WeakPolarHBondContact OE2-CD 3.35Å; E505-K560 WeakPolarHBondContact OE2-CE 3.4Å; E505-K560 IonicContact OE2-NZ 2.73Å; E505-G561 VanDerWaalsContact O-CA 3.29Å; E505-G561 WeakPolarHBondContact O-CA 3.39Å
506	T	90.7	Very high	86.7	Confident	78 Å²	78	33.1 Å²	33.1	48%	0.479	19%	0.186	S	C	.	.	H	α-helix	trans	-68.1	-43.3	175.1	-65.4	0	0	0	0	111.9	Q502 Q503 G508 K509 A510	Q502-T506 WeakPolarHBondContact O-CB 3.48Å; Q502-T506 PolarHBondContact O-N 2.9Å; Q502-T506 PolarHBondContact O-OG1 2.53Å; Q503-T506 PolarHBondContact O-N 2.9Å; T506-G508 VanDerWaalsContact C-N 3.33Å; T506-G508 PolarHBondContact O-N 3.31Å; T506-K509 WeakPolarHBondContact O-CB 3.19Å; T506-K509 PolarHBondContact O-N 3.26Å; T506-K509 VanDerWaalsContact O-N 3.12Å; T506-A510 PolarHBondContact O-N 2.85Å
507	L	91.8	Very high	85.1	Confident	10 Å²	10	34.8 Å²	34.8	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-40	175	-179.5	62.1	0	0	0	111.5	Q503 A504 K509 A510 F511 F558 L859 V1470	Q503-L507 VanDerWaalsContact O-CB 3.31Å; Q503-L507 WeakPolarHBondContact O-CB 3.07Å; Q503-L507 PolarHBondContact O-N 3.26Å; A504-L507 PolarHBondContact O-N 3.02Å; L507-K509 VanDerWaalsContact C-N 3.29Å; L507-K509 PolarHBondContact O-N 2.77Å; L507-A510 PolarHBondContact O-N 2.92Å; L507-A510 VanDerWaalsContact O-N 3.16Å; L507-F511 HydrophobicContact CD1-CD2 3.89Å; L507-F511 HydrophobicContact CD1-CE2 4.01Å; L507-F511 HydrophobicContact CG-CD2 4.14Å; L507-F511 HydrophobicContact CG-CE2 4.37Å; L507-F511 WeakPolarHBondContact O-CB 3.38Å; L507-F511 PolarHBondContact O-N 2.85Å; L507-F558 HydrophobicContact CB-CD2 4.49Å; L507-F558 HydrophobicContact CD2-CD2 4.38Å; L507-F558 HydrophobicContact CD2-CE2 4.3Å; L507-F558 HydrophobicContact CG-CD2 4.27Å; L507-F558 HydrophobicContact CG-CE2 4Å; L507-L859 HydrophobicContact CB-CD1 4.14Å; L507-L859 HydrophobicContact CD2-CB 3.71Å; L507-L859 HydrophobicContact CD2-CD1 3.79Å; L507-L859 HydrophobicContact CD2-CD2 4.49Å; L507-L859 HydrophobicContact CD2-CG 4.21Å; L507-V1470 HydrophobicContact CD1-CB 4.37Å; L507-V1470 HydrophobicContact CD1-CG1 4Å
508	G	91.1	Very high	83.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-41.6	171.9	0	0	0	0	0	112.1	A504 E505 T506 F511 F562	A504-G508 PolarHBondContact O-N 2.88Å; E505-G508 PolarHBondContact O-N 2.89Å; T506-G508 VanDerWaalsContact C-N 3.33Å; T506-G508 PolarHBondContact O-N 3.31Å; G508-F511 PolarHBondContact O-N 2.81Å; G508-F562 VanDerWaalsContact O-CA 3.29Å; G508-F562 WeakPolarHBondContact O-CA 3.26Å
509	K	86.4	Confident	81.3	Confident	82 Å²	82	37.2 Å²	37.2	36%	0.357	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-42.3	174.4	-66.9	161.3	-167.6	164.9	0	112.1	E505 T506 L507 R512	E505-K509 VanDerWaalsContact O-CG 3.32Å; E505-K509 WeakPolarHBondContact O-CG 3.48Å; E505-K509 PolarHBondContact O-N 3.42Å; E505-K509 VanDerWaalsContact O-N 3.1Å; E505-K509 VanDerWaalsContact OE1-CE 3.27Å; E505-K509 WeakPolarHBondContact OE1-CE 3.29Å; E505-K509 IonicContact OE1-NZ 3.4Å; E505-K509 PolarHBondContact OE1-NZ 3.12Å; T506-K509 WeakPolarHBondContact O-CB 3.19Å; T506-K509 PolarHBondContact O-N 3.26Å; T506-K509 VanDerWaalsContact O-N 3.12Å; L507-K509 VanDerWaalsContact C-N 3.29Å; L507-K509 PolarHBondContact O-N 2.77Å; K509-R512 VanDerWaalsContact O-CB 3.29Å; K509-R512 WeakPolarHBondContact O-CB 3.43Å; K509-R512 WeakPolarHBondContact O-CD 3.13Å; K509-R512 WeakPolarHBondContact O-CG 3.18Å; K509-R512 PolarHBondContact O-N 3.34Å
510	A	84.2	Confident	79	Confident	56 Å²	56	38.3 Å²	38.3	46%	0.463	22%	0.224	S	C	.	.	H	α-helix	trans	-65.6	-36.3	175.8	0	0	0	0	0	112.5	T506 L507 R512 C513	T506-A510 PolarHBondContact O-N 2.85Å; L507-A510 PolarHBondContact O-N 2.92Å; L507-A510 VanDerWaalsContact O-N 3.16Å; A510-R512 PolarHBondContact O-N 2.77Å; A510-C513 PolarHBondContact O-N 3.13Å
511	F	88.1	Confident	76.3	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.022	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-4.1	175.1	-106.1	-110.7	0	0	0	114.9	A352 I354 L507 G508 I514 Y515 F558 F562 V863	A352-F511 HydrophobicContact CB-CE1 3.97Å; A352-F511 HydrophobicContact CB-CZ 4.43Å; I354-F511 HydrophobicContact CD1-CZ 4.41Å; L507-F511 HydrophobicContact CD1-CD2 3.89Å; L507-F511 HydrophobicContact CD1-CE2 4.01Å; L507-F511 HydrophobicContact CG-CD2 4.14Å; L507-F511 HydrophobicContact CG-CE2 4.37Å; L507-F511 WeakPolarHBondContact O-CB 3.38Å; L507-F511 PolarHBondContact O-N 2.85Å; G508-F511 PolarHBondContact O-N 2.81Å; F511-I514 HydrophobicContact CD1-CD1 3.67Å; F511-I514 HydrophobicContact CD1-CG1 4.42Å; F511-I514 HydrophobicContact CE1-CD1 3.77Å; F511-I514 HydrophobicContact CG-CD1 4.37Å; F511-I514 HydrophobicContact CZ-CD1 4.5Å; F511-I514 WeakPolarHBondContact O-CG1 3.49Å; F511-Y515 VanDerWaalsContact O-CD2 3.32Å; F511-Y515 WeakPolarHBondContact O-CD2 3.27Å; F511-Y515 WeakPolarHBondContact O-CE2 3.5Å; F511-F558 HydrophobicContact CB-CE2 4.17Å; F511-F558 HydrophobicContact CB-CZ 3.66Å; F511-F558 HydrophobicContact CD1-CE2 4.36Å; F511-F558 AromaticContact CD1-CZ 3.71Å; F511-F558 HydrophobicContact CD1-CZ 3.71Å; F511-F558 HydrophobicContact CD2-CE2 4.06Å; F511-F558 HydrophobicContact CD2-CZ 4.17Å; F511-F558 HydrophobicContact CE1-CZ 4.38Å; F511-F558 AromaticContact CG-CE2 3.94Å; F511-F558 HydrophobicContact CG-CE2 3.94Å; F511-F558 AromaticContact CG-CZ 3.57Å; F511-F558 HydrophobicContact CG-CZ 3.57Å; F511-F562 HydrophobicContact CB-CD2 3.81Å; F511-F562 HydrophobicContact CB-CE2 3.94Å; F511-F562 HydrophobicContact CD1-CE2 4.45Å; F511-V863 HydrophobicContact CE1-CG2 4.07Å; F511-V863 HydrophobicContact CZ-CG2 3.63Å
512	R	81.2	Confident	73.6	Confident	29 Å²	29	53.1 Å²	53.1	11%	0.109	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-25.1	168.8	-57	173.2	-174.1	174	2.4	113	K509 A510 G527 L530 G561 A564	K509-R512 VanDerWaalsContact O-CB 3.29Å; K509-R512 WeakPolarHBondContact O-CB 3.43Å; K509-R512 WeakPolarHBondContact O-CD 3.13Å; K509-R512 WeakPolarHBondContact O-CG 3.18Å; K509-R512 PolarHBondContact O-N 3.34Å; A510-R512 PolarHBondContact O-N 2.77Å; R512-G527 VanDerWaalsContact CB-CA 3.46Å; R512-G527 WeakPolarHBondContact CB-O 3.18Å; R512-L530 HydrophobicContact CB-CB 4.33Å; R512-L530 HydrophobicContact CB-CD2 4.21Å; R512-L530 HydrophobicContact CG-CD2 4.04Å; R512-G561 PolarHBondContact NE-O 3.37Å; R512-G561 VanDerWaalsContact NE-O 3.16Å; R512-G561 PolarHBondContact NH2-O 2.82Å; R512-A564 VanDerWaalsContact NH2-CB 3.34Å
513	C	77	Confident	70.9	Confident	42 Å²	42	50.6 Å²	50.6	28%	0.284	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-29.4	-174.5	-58.3	0	0	0	0	112.6	A510 Y515	A510-C513 PolarHBondContact O-N 3.13Å; C513-Y515 PolarHBondContact O-N 3.11Å
514	I	79	Confident	68.6	Low	39 Å²	39	59.3 Å²	59.3	20%	0.2	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	13.4	175.7	67.2	165.2	0	0	0	114.3	V350 F511 V863 M865 L1473	V350-I514 HydrophobicContact CG1-CD1 4Å; F511-I514 HydrophobicContact CD1-CD1 3.67Å; F511-I514 HydrophobicContact CD1-CG1 4.42Å; F511-I514 HydrophobicContact CE1-CD1 3.77Å; F511-I514 HydrophobicContact CG-CD1 4.37Å; F511-I514 HydrophobicContact CZ-CD1 4.5Å; F511-I514 WeakPolarHBondContact O-CG1 3.49Å; I514-V863 HydrophobicContact CD1-CG1 4.31Å; I514-M865 HydrophobicContact CB-CE 4.34Å; I514-M865 HydrophobicContact CB-SD 4.32Å; I514-M865 WeakPolarHBondContact O-CE 3.18Å; I514-L1473 HydrophobicContact CG2-CD1 4.12Å
515	Y	77.6	Confident	66.2	Low	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.357	C	S	.	.	S	Bend	trans	-123	145.3	176.5	-69.2	-97.6	0	0	0	109.7	L347 V350 F511 C513 G517 G518 L530 L533 H539 F562 V810 S812	L347-Y515 HydrophobicContact CD2-CD1 3.88Å; L347-Y515 HydrophobicContact CD2-CE1 4.37Å; L347-Y515 HydrophobicContact CD2-CG 4.47Å; V350-Y515 HydrophobicContact CB-CE1 4.28Å; V350-Y515 WeakPolarHBondContact CB-OH 3.21Å; V350-Y515 HydrophobicContact CG2-CD1 4.44Å; V350-Y515 HydrophobicContact CG2-CE1 3.71Å; F511-Y515 VanDerWaalsContact O-CD2 3.32Å; F511-Y515 WeakPolarHBondContact O-CD2 3.27Å; F511-Y515 WeakPolarHBondContact O-CE2 3.5Å; C513-Y515 PolarHBondContact O-N 3.11Å; Y515-G517 PolarHBondContact O-N 3.4Å; Y515-G518 WeakPolarHBondContact O-CA 3.49Å; Y515-G518 PolarHBondContact O-N 3.39Å; Y515-L530 HydrophobicContact CD1-CD1 3.8Å; Y515-L530 HydrophobicContact CD2-CB 4.14Å; Y515-L530 HydrophobicContact CD2-CD1 3.92Å; Y515-L530 HydrophobicContact CD2-CD2 3.93Å; Y515-L530 HydrophobicContact CD2-CG 4.2Å; Y515-L530 HydrophobicContact CE1-CD1 3.92Å; Y515-L530 HydrophobicContact CE2-CD1 4.07Å; Y515-L530 HydrophobicContact CE2-CD2 4.05Å; Y515-L530 HydrophobicContact CG-CB 4.05Å; Y515-L530 HydrophobicContact CG-CD1 3.8Å; Y515-L530 HydrophobicContact CG-CG 4.33Å; Y515-L533 HydrophobicContact CD1-CD2 4.14Å; Y515-H539 AromaticContact CE1-NE2 3.92Å; Y515-F562 AromaticContact CE2-CE2 3.84Å; Y515-F562 HydrophobicContact CE2-CE2 3.84Å; Y515-F562 AromaticContact CE2-CZ 3.88Å; Y515-F562 HydrophobicContact CE2-CZ 3.88Å; Y515-F562 AromaticContact CZ-CZ 3.96Å; Y515-V810 HydrophobicContact CE1-CG1 4.36Å; Y515-S812 WeakPolarHBondContact CE1-OG 3.28Å; Y515-S812 PolarHBondContact OH-OG 3.19Å
516	P	64.4	Low	64.3	Low	17 Å²	17	66.3 Å²	66.3	11%	0.11	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	137.4	180	13.9	-25.7	0	0	0	112.8	P335 V337 G518 G529	P335-P516 HydrophobicContact CB-CB 4.21Å; P335-P516 HydrophobicContact CB-CG 3.48Å; P335-P516 VanDerWaalsContact CB-CG 3.48Å; V337-P516 HydrophobicContact CG1-CB 4.08Å; V337-P516 HydrophobicContact CG2-CB 4.05Å; V337-P516 HydrophobicContact CG2-CG 3.94Å; P516-G518 VanDerWaalsContact C-N 3.3Å; P516-G529 WeakPolarHBondContact O-CA 3.23Å
517	G	55.6	Low	62.5	Low	49 Å²	49	62.6 Å²	62.6	51%	0.505	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	8.4	-168.9	0	0	0	0	0	114.4	Y515 G529	Y515-G517 PolarHBondContact O-N 3.4Å; G517-G529 WeakPolarHBondContact O-CA 3.41Å; G517-G529 PolarHBondContact O-N 3.14Å; G517-G529 VanDerWaalsContact O-N 3.08Å
518	G	50.5	Low	61.1	Low	0 Å²	0	65 Å²	65	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-68.9	-46.5	174	0	0	0	0	0	113.3	Y515 P516 G520 G527	Y515-G518 WeakPolarHBondContact O-CA 3.49Å; Y515-G518 PolarHBondContact O-N 3.39Å; P516-G518 VanDerWaalsContact C-N 3.3Å; G518-G520 VanDerWaalsContact C-N 3.3Å; G518-G520 PolarHBondContact O-N 2.89Å; G518-G527 PolarHBondContact O-N 3.44Å
519	D	48	Very low	59.9	Low	109 Å²	109	65.7 Å²	65.7	58%	0.583	37%	0.368	S	S	*	.	S	Bend	trans	-86.7	4.2	-172.5	-38.9	-67.7	0	0	0	114.1	H521	D519-H521 PolarHBondContact O-N 3.23Å; D519-H521 PolarHBondContact O-ND1 3.21Å
520	G	40.9	Very low	59.4	Low	40 Å²	40	61.8 Å²	61.8	41%	0.412	35%	0.351	S	S	.	.			trans	-64.5	130.5	-168.7	0	0	0	0	0	113.4	G518 Y522	G518-G520 VanDerWaalsContact C-N 3.3Å; G518-G520 PolarHBondContact O-N 2.89Å; G520-Y522 PolarHBondContact O-N 2.85Å
521	H	36	Very low	58.7	Low	191 Å²	191	59.3 Å²	59.3	88%	0.884	33%	0.33	S	S	*	.			trans	-69.2	18.8	-177.8	-69.1	23.8	0	0	0	115.1	D519 G523	D519-H521 PolarHBondContact O-N 3.23Å; D519-H521 PolarHBondContact O-ND1 3.21Å; H521-G523 PolarHBondContact O-N 2.79Å
522	Y	34.5	Very low	57.8	Low	205 Å²	205	62.1 Å²	62.1	80%	0.804	34%	0.341	S	S	*	.	S	Bend	trans	-80.4	54.4	-175.6	-81.4	-77.7	0	0	0	114	G520	G520-Y522 PolarHBondContact O-N 2.85Å
523	G	34.8	Very low	57.4	Low	56 Å²	56	61.5 Å²	61.5	58%	0.577	34%	0.34	S	S	*	.	S	Bend	trans	73.7	92.6	157	0	0	0	0	0	117	H521 D525	H521-G523 PolarHBondContact O-N 2.79Å; G523-D525 VanDerWaalsContact C-N 3.34Å; G523-D525 PolarHBondContact O-N 3.16Å
524	K	41.6	Very low	57.4	Low	188 Å²	188	60.5 Å²	60.5	82%	0.817	33%	0.331	S	S	*	.	S	Bend	trans	74.5	-24.3	163	-54.7	-167	175.2	-166.2	0	118.8
525	D	45.8	Very low	57	Low	112 Å²	112	59.1 Å²	59.1	60%	0.599	33%	0.325	S	S	*	.			trans	-123.2	99.9	-179.7	-78.6	-62.2	0	0	0	112.7	G523 L528	G523-D525 VanDerWaalsContact C-N 3.34Å; G523-D525 PolarHBondContact O-N 3.16Å; D525-L528 HydrophobicContact CB-CD1 4.45Å; D525-L528 WeakPolarHBondContact O-CG 3.35Å
526	P	50.9	Low	56.6	Low	84 Å²	84	60.1 Å²	60.1	55%	0.545	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	159.4	173.9	29.2	-34.1	0	0	0	112.7
527	G	54	Low	56.6	Low	1 Å²	1	59.6 Å²	59.6	1%	0.01	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	10.8	178.2	0	0	0	0	0	115.8	R512 G518 G529	R512-G527 VanDerWaalsContact CB-CA 3.46Å; R512-G527 WeakPolarHBondContact CB-O 3.18Å; G518-G527 PolarHBondContact O-N 3.44Å; G527-G529 VanDerWaalsContact C-N 3.27Å; G527-G529 PolarHBondContact O-N 3.29Å
528	L	62	Low	57.4	Low	61 Å²	61	58.3 Å²	58.3	32%	0.319	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-27.3	179.3	-71.8	170.5	0	0	0	113.3	D525 L531 R532	D525-L528 HydrophobicContact CB-CD1 4.45Å; D525-L528 WeakPolarHBondContact O-CG 3.35Å; L528-L531 HydrophobicContact CD2-CD1 4.35Å; L528-L531 WeakPolarHBondContact O-CB 3.48Å; L528-L531 PolarHBondContact O-N 3.21Å; L528-L531 VanDerWaalsContact O-N 3.09Å; L528-R532 PolarHBondContact O-N 2.84Å
529	G	65.9	Low	58.8	Low	13 Å²	13	58.5 Å²	58.5	13%	0.134	31%	0.307	C	S	.	.	H	α-helix	trans	-54.8	-54.2	179.9	0	0	0	0	0	114.5	P516 G517 G527 L531 R532 L533	P516-G529 WeakPolarHBondContact O-CA 3.23Å; G517-G529 WeakPolarHBondContact O-CA 3.41Å; G517-G529 PolarHBondContact O-N 3.14Å; G517-G529 VanDerWaalsContact O-N 3.08Å; G527-G529 VanDerWaalsContact C-N 3.27Å; G527-G529 PolarHBondContact O-N 3.29Å; G529-L531 PolarHBondContact O-N 3.41Å; G529-R532 PolarHBondContact O-N 2.84Å; G529-L533 WeakPolarHBondContact O-CB 3.44Å; G529-L533 PolarHBondContact O-N 3.09Å
530	L	74.9	Confident	60.2	Low	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-53.5	-43	173	171.3	61.8	0	0	0	111.8	R512 Y515 L533 H534 H539 F562	R512-L530 HydrophobicContact CB-CB 4.33Å; R512-L530 HydrophobicContact CB-CD2 4.21Å; R512-L530 HydrophobicContact CG-CD2 4.04Å; Y515-L530 HydrophobicContact CD1-CD1 3.8Å; Y515-L530 HydrophobicContact CD2-CB 4.14Å; Y515-L530 HydrophobicContact CD2-CD1 3.92Å; Y515-L530 HydrophobicContact CD2-CD2 3.93Å; Y515-L530 HydrophobicContact CD2-CG 4.2Å; Y515-L530 HydrophobicContact CE1-CD1 3.92Å; Y515-L530 HydrophobicContact CE2-CD1 4.07Å; Y515-L530 HydrophobicContact CE2-CD2 4.05Å; Y515-L530 HydrophobicContact CG-CB 4.05Å; Y515-L530 HydrophobicContact CG-CD1 3.8Å; Y515-L530 HydrophobicContact CG-CG 4.33Å; L530-L533 WeakPolarHBondContact O-CB 3.37Å; L530-L533 PolarHBondContact O-N 2.79Å; L530-H534 WeakPolarHBondContact O-CB 3.24Å; L530-H534 PolarHBondContact O-N 2.83Å; L530-H539 WeakPolarHBondContact CD1-CE1 3.42Å; L530-F562 HydrophobicContact CD1-CZ 4.11Å; L530-F562 HydrophobicContact CD2-CD1 4.31Å; L530-F562 HydrophobicContact CD2-CD2 3.64Å; L530-F562 HydrophobicContact CD2-CE1 3.96Å; L530-F562 HydrophobicContact CD2-CE2 3.24Å; L530-F562 HydrophobicContact CD2-CG 4.16Å; L530-F562 HydrophobicContact CD2-CZ 3.42Å; L530-F562 VanDerWaalsContact CD2-CZ 3.42Å; L530-F562 HydrophobicContact CG-CZ 4.41Å
531	L	70.2	Confident	62.3	Low	4 Å²	4	53.1 Å²	53.1	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-68.9	-37.9	-174.2	-62	-175	0	0	0	111.6	K299 L528 G529 S535 F562 A564	K299-L531 WeakPolarHBondContact CE-O 3.49Å; K299-L531 PolarHBondContact NZ-O 3.16Å; L528-L531 HydrophobicContact CD2-CD1 4.35Å; L528-L531 WeakPolarHBondContact O-CB 3.48Å; L528-L531 PolarHBondContact O-N 3.21Å; L528-L531 VanDerWaalsContact O-N 3.09Å; G529-L531 PolarHBondContact O-N 3.41Å; L531-S535 PolarHBondContact O-N 3.28Å; L531-S535 PolarHBondContact O-OG 2.83Å; L531-F562 WeakPolarHBondContact CD2-O 3.39Å; L531-A564 HydrophobicContact CD1-CB 3.85Å; L531-A564 HydrophobicContact CD2-CB 4.31Å
532	R	68.5	Low	64.8	Low	64 Å²	64	46.8 Å²	46.8	24%	0.242	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-54.9	169.2	174.1	177.3	173.4	157.6	-3.4	109.6	H306 D333 L528 G529 H534 S535 T536	H306-R532 PolarHBondContact CD2-NH1 2.76Å; H306-R532 PolarHBondContact NE2-NH1 3.29Å; D333-R532 IonicContact OD1-CZ 2.86Å; D333-R532 IonicContact OD1-NE 2.77Å; D333-R532 IonicContact OD1-NH2 3.29Å; D333-R532 PolarHBondContact OD1-NH2 2.77Å; D333-R532 IonicContact OD2-NH2 3.85Å; L528-R532 PolarHBondContact O-N 2.84Å; G529-R532 PolarHBondContact O-N 2.84Å; R532-H534 VanDerWaalsContact C-N 3.26Å; R532-H534 PolarHBondContact O-N 3.45Å; R532-S535 CarbonylContact O-C 3.52Å; R532-S535 PolarHBondContact O-N 3.06Å; R532-T536 HydrophobicContact CG-CG2 4.29Å; R532-T536 VanDerWaalsContact O-CG2 3.32Å; R532-T536 WeakPolarHBondContact O-CG2 3.32Å; R532-T536 PolarHBondContact O-N 3.37Å
533	L	73.9	Confident	67.4	Low	17 Å²	17	37.1 Å²	37.1	9%	0.089	20%	0.201	C	C	.	.	H	α-helix	trans	-49.9	-43.8	178.9	174	62.3	0	0	0	112.3	Y515 G529 L530 S535 T536 R538 H539 V810	Y515-L533 HydrophobicContact CD1-CD2 4.14Å; G529-L533 WeakPolarHBondContact O-CB 3.44Å; G529-L533 PolarHBondContact O-N 3.09Å; L530-L533 WeakPolarHBondContact O-CB 3.37Å; L530-L533 PolarHBondContact O-N 2.79Å; L533-S535 PolarHBondContact O-N 2.87Å; L533-T536 PolarHBondContact O-N 3.14Å; L533-T536 VanDerWaalsContact O-N 3.13Å; L533-T536 PolarHBondContact O-OG1 2.65Å; L533-R538 HydrophobicContact CD1-CB 4.09Å; L533-H539 HydrophobicContact CD1-CB 4.45Å; L533-H539 HydrophobicContact CG-CB 4.18Å; L533-H539 WeakPolarHBondContact O-CB 3.41Å; L533-V810 HydrophobicContact CD1-CG2 3.95Å; L533-V810 HydrophobicContact CD2-CB 4.15Å; L533-V810 HydrophobicContact CD2-CG1 4.39Å; L533-V810 HydrophobicContact CD2-CG2 3.9Å
534	H	76.7	Confident	70.2	Confident	20 Å²	20	36.3 Å²	36.3	9%	0.093	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-40.8	178.8	-170.9	67.8	0	0	0	113.8	I251 K257 L530 R532 T536 H539 L563	I251-H534 WeakPolarHBondContact CG1-NE2 3.44Å; K257-H534 PolarHBondContact NZ-O 2.89Å; L530-H534 WeakPolarHBondContact O-CB 3.24Å; L530-H534 PolarHBondContact O-N 2.83Å; R532-H534 VanDerWaalsContact C-N 3.26Å; R532-H534 PolarHBondContact O-N 3.45Å; H534-T536 VanDerWaalsContact C-N 3.33Å; H534-H539 VanDerWaalsContact CA-ND1 3.34Å; H534-H539 WeakPolarHBondContact CA-ND1 3.39Å; H534-H539 WeakPolarHBondContact CB-ND1 3.29Å; H534-H539 AromaticContact CG-ND1 3.5Å; H534-H539 AromaticContact ND1-CE1 3.56Å; H534-H539 AromaticContact ND1-CG 3.84Å; H534-H539 AromaticContact ND1-ND1 2.85Å; H534-H539 PolarHBondContact ND1-ND1 3.02Å; H534-L563 HydrophobicContact CB-CD2 4.06Å
535	S	69.7	Low	72.5	Confident	11 Å²	11	27.3 Å²	27.3	8%	0.077	14%	0.142	C	C	.	.	H	α-helix	trans	-76.4	-17.9	173.7	-61	0	0	0	0	112.9	Y222 A223 K299 L531 R532 L533	Y222-S535 WeakPolarHBondContact CA-O 3.42Å; A223-S535 PolarHBondContact N-O 2.89Å; K299-S535 PolarHBondContact NZ-OG 3.13Å; L531-S535 PolarHBondContact O-N 3.28Å; L531-S535 PolarHBondContact O-OG 2.83Å; R532-S535 CarbonylContact O-C 3.52Å; R532-S535 PolarHBondContact O-N 3.06Å; L533-S535 PolarHBondContact O-N 2.87Å
536	T	69.8	Low	74.5	Confident	21 Å²	21	22 Å²	22	13%	0.129	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-73.6	166.9	165.7	78.4	0	0	0	0	111.8	D221 K257 R532 L533 H534 R538	D221-T536 CarbonylContact O-C 3.54Å; D221-T536 WeakPolarHBondContact O-CA 3.43Å; D221-T536 WeakPolarHBondContact O-CB 3.49Å; K257-T536 PolarHBondContact NZ-O 3.32Å; R532-T536 HydrophobicContact CG-CG2 4.29Å; R532-T536 VanDerWaalsContact O-CG2 3.32Å; R532-T536 WeakPolarHBondContact O-CG2 3.32Å; R532-T536 PolarHBondContact O-N 3.37Å; L533-T536 PolarHBondContact O-N 3.14Å; L533-T536 VanDerWaalsContact O-N 3.13Å; L533-T536 PolarHBondContact O-OG1 2.65Å; H534-T536 VanDerWaalsContact C-N 3.33Å; T536-R538 PolarHBondContact O-N 2.81Å; T536-R538 PolarHBondContact OG1-N 3.01Å
537	Y	65.4	Low	75.9	Confident	5 Å²	5	20.7 Å²	20.7	2%	0.02	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.1	174.7	-53.9	-36.1	0	0	0	113.7	D220 D221 A223 K257 A260 K261 H539 F809	D220-Y537 WeakPolarHBondContact O-CE2 3.43Å; D221-Y537 VanDerWaalsContact CA-CE2 3.45Å; D221-Y537 HydrophobicContact CB-CD2 4.49Å; D221-Y537 PolarHBondContact O-N 3.08Å; A223-Y537 HydrophobicContact CB-CE1 3.78Å; K257-Y537 HydrophobicContact CB-CD1 3.43Å; K257-Y537 VanDerWaalsContact CB-CD1 3.43Å; K257-Y537 HydrophobicContact CB-CE1 4.02Å; K257-Y537 HydrophobicContact CB-CG 4.15Å; K257-Y537 HydrophobicContact CD-CD1 4.29Å; K257-Y537 HydrophobicContact CG-CD1 3.74Å; K257-Y537 HydrophobicContact CG-CE1 4.31Å; K257-Y537 VanDerWaalsContact O-CE1 3.25Å; K257-Y537 WeakPolarHBondContact O-CE1 3.32Å; A260-Y537 HydrophobicContact CB-CE1 4.18Å; K261-Y537 HydrophobicContact CB-CD2 4.24Å; K261-Y537 HydrophobicContact CB-CE2 3.55Å; K261-Y537 HydrophobicContact CD-CD2 3.95Å; K261-Y537 HydrophobicContact CD-CE2 3.82Å; K261-Y537 HydrophobicContact CG-CE2 3.94Å; K261-Y537 PolarHBondContact N-OH 2.63Å; Y537-H539 PolarHBondContact O-N 3.01Å; Y537-F809 VanDerWaalsContact O-CD1 3.24Å; Y537-F809 WeakPolarHBondContact O-CD1 3.46Å; Y537-F809 VanDerWaalsContact O-CE1 3.27Å; Y537-F809 WeakPolarHBondContact O-CE1 3.44Å
538	R	70.5	Confident	77.2	Confident	22 Å²	22	21.7 Å²	21.7	8%	0.083	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	27.2	-173.2	-55.4	-173.2	-158.3	144.6	12.6	115.7	D221 D333 L533 T536 V803 R808 V810	D221-R538 IonicContact OD2-CZ 2.68Å; D221-R538 IonicContact OD2-NH2 3.55Å; D221-R538 PolarHBondContact OD2-NH2 2.93Å; D333-R538 PolarHBondContact O-NH1 3.27Å; L533-R538 HydrophobicContact CD1-CB 4.09Å; T536-R538 PolarHBondContact O-N 2.81Å; T536-R538 PolarHBondContact OG1-N 3.01Å; R538-V803 PolarHBondContact NE-O 2.89Å; R538-R808 WeakPolarHBondContact CB-O 3.34Å; R538-R808 WeakPolarHBondContact CG-O 3.29Å; R538-V810 PolarHBondContact O-N 2.86Å
539	H	79.9	Confident	78.1	Confident	4 Å²	4	19.8 Å²	19.8	2%	0.019	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	119	178.3	-168.4	-159.5	0	0	0	113.8	K257 Y515 L530 L533 H534 Y537 F562 V810 S812	K257-H539 PolarHBondContact NZ-O 2.88Å; Y515-H539 AromaticContact CE1-NE2 3.92Å; L530-H539 WeakPolarHBondContact CD1-CE1 3.42Å; L533-H539 HydrophobicContact CD1-CB 4.45Å; L533-H539 HydrophobicContact CG-CB 4.18Å; L533-H539 WeakPolarHBondContact O-CB 3.41Å; H534-H539 VanDerWaalsContact CA-ND1 3.34Å; H534-H539 WeakPolarHBondContact CA-ND1 3.39Å; H534-H539 WeakPolarHBondContact CB-ND1 3.29Å; H534-H539 AromaticContact CG-ND1 3.5Å; H534-H539 AromaticContact ND1-CE1 3.56Å; H534-H539 AromaticContact ND1-CG 3.84Å; H534-H539 AromaticContact ND1-ND1 2.85Å; H534-H539 PolarHBondContact ND1-ND1 3.02Å; Y537-H539 PolarHBondContact O-N 3.01Å; H539-F562 AromaticContact CE1-CE1 3.67Å; H539-V810 WeakPolarHBondContact CA-O 3.39Å; H539-V810 PolarHBondContact CD2-O 2.84Å; H539-S812 WeakPolarHBondContact NE2-CB 3.45Å; H539-S812 PolarHBondContact NE2-OG 3.2Å
540	D	79.3	Confident	79.1	Confident	16 Å²	16	20.2 Å²	20.2	9%	0.086	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	95.1	170	169.6	15	0	0	0	110	K542 V810 R811 S812 R813	D540-K542 VanDerWaalsContact CG-NZ 3.26Å; D540-K542 IonicContact OD1-NZ 3.66Å; D540-K542 PolarHBondContact OD1-NZ 3.27Å; D540-K542 IonicContact OD2-NZ 3.85Å; D540-K542 PolarHBondContact OD2-NZ 3.37Å; D540-V810 PolarHBondContact N-O 2.78Å; D540-R811 IonicContact OD2-CZ 3.35Å; D540-R811 IonicContact OD2-NH1 4Å; D540-R811 PolarHBondContact OD2-NH1 3.1Å; D540-S812 PolarHBondContact O-N 3.32Å; D540-R813 PolarHBondContact O-NH1 2.82Å; D540-R813 IonicContact OD1-CZ 3.04Å; D540-R813 IonicContact OD1-NH1 2.7Å; D540-R813 PolarHBondContact OD1-NH1 2.64Å; D540-R813 VanDerWaalsContact OD1-NH1 3.1Å; D540-R813 IonicContact OD1-NH2 2.77Å; D540-R813 PolarHBondContact OD1-NH2 2.92Å; D540-R813 IonicContact OD2-CZ 3.85Å; D540-R813 IonicContact OD2-NH1 2.71Å; D540-R813 PolarHBondContact OD2-NH1 2.85Å; D540-R813 IonicContact OD2-NH2 3.99Å; D540-R813 PolarHBondContact OD2-NH2 3.41Å
541	L	84.7	Confident	80	Confident	21 Å²	21	20.2 Å²	20.2	11%	0.11	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130	174.5	176.3	63.1	0	0	0	111.1	I251 I543 F562 L563 M576 L814	I251-L541 HydrophobicContact CD1-CD2 4.17Å; L541-I543 HydrophobicContact CD1-CG1 4.12Å; L541-I543 HydrophobicContact CD2-CD1 4.49Å; L541-I543 HydrophobicContact CG-CG1 4.28Å; L541-F562 HydrophobicContact CD1-CE1 3.89Å; L541-F562 HydrophobicContact CD2-CD1 4.15Å; L541-F562 HydrophobicContact CD2-CE1 3.9Å; L541-L563 HydrophobicContact CD2-CD1 3.84Å; L541-L563 HydrophobicContact CD2-CD2 4.19Å; L541-L563 HydrophobicContact CD2-CG 4.32Å; L541-M576 HydrophobicContact CD2-CE 4.31Å; L541-L814 HydrophobicContact CD1-CD1 4.08Å; L541-L814 HydrophobicContact CD1-CG 4.25Å
542	K	86.8	Confident	80.9	Confident	57 Å²	57	22 Å²	22	25%	0.248	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.5	167.2	-60.1	-176.8	-179.6	87.9	0	110	D540 Y544 S812 L814	D540-K542 VanDerWaalsContact CG-NZ 3.26Å; D540-K542 IonicContact OD1-NZ 3.66Å; D540-K542 PolarHBondContact OD1-NZ 3.27Å; D540-K542 IonicContact OD2-NZ 3.85Å; D540-K542 PolarHBondContact OD2-NZ 3.37Å; K542-Y544 HydrophobicContact CB-CE2 3.76Å; K542-S812 PolarHBondContact N-O 3.18Å; K542-L814 PolarHBondContact O-N 2.99Å; K542-L814 VanDerWaalsContact O-N 3.14Å
543	I	90.9	Very high	81.9	Confident	2 Å²	2	21 Å²	21	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.5	178.1	-52.1	-173.8	0	0	0	108.7	L541 A555 A559 M576 V577 K578 L814 F816	L541-I543 HydrophobicContact CD1-CG1 4.12Å; L541-I543 HydrophobicContact CD2-CD1 4.49Å; L541-I543 HydrophobicContact CG-CG1 4.28Å; I543-A555 HydrophobicContact CG2-CB 4.11Å; I543-A559 HydrophobicContact CD1-CB 3.85Å; I543-M576 HydrophobicContact CD1-CE 3.71Å; I543-V577 HydrophobicContact CG2-CG2 4.16Å; I543-K578 PolarHBondContact O-N 2.89Å; I543-L814 WeakPolarHBondContact CA-O 3.28Å; I543-L814 HydrophobicContact CD1-CD1 4.11Å; I543-L814 HydrophobicContact CG1-CB 4.29Å; I543-L814 HydrophobicContact CG1-CD1 4.1Å; I543-L814 HydrophobicContact CG1-CG 4.48Å; I543-L814 HydrophobicContact CG2-CB 4.32Å; I543-F816 HydrophobicContact CG2-CD2 3.78Å; I543-F816 HydrophobicContact CG2-CE2 3.84Å
544	Y	92.3	Very high	82.9	Confident	39 Å²	39	20.2 Å²	20.2	15%	0.153	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.3	178.8	-60.4	-88.6	0	0	0	109.4	K542 K578 L814 Y815 F816	K542-Y544 HydrophobicContact CB-CE2 3.76Å; Y544-K578 CarbonylContact C-O 3.58Å; Y544-K578 WeakPolarHBondContact CA-O 3.2Å; Y544-K578 HydrophobicContact CD1-CB 3.99Å; Y544-K578 HydrophobicContact CE1-CB 4.3Å; Y544-K578 HydrophobicContact CE1-CD 4.36Å; Y544-L814 PolarHBondContact N-O 2.77Å; Y544-Y815 AromaticContact CD2-CD1 3.91Å; Y544-Y815 HydrophobicContact CD2-CD1 3.91Å; Y544-Y815 AromaticContact CD2-CE1 3.41Å; Y544-Y815 HydrophobicContact CD2-CE1 3.41Å; Y544-Y815 VanDerWaalsContact CD2-CE1 3.41Å; Y544-Y815 HydrophobicContact CE2-CE1 4.03Å; Y544-Y815 HydrophobicContact CG-CD1 4.07Å; Y544-Y815 AromaticContact CG-CE1 3.84Å; Y544-Y815 HydrophobicContact CG-CE1 3.84Å; Y544-F816 PolarHBondContact O-N 3.11Å
545	A	91.3	Very high	83.8	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	144.7	174.9	0	0	0	0	0	111.5	V551 Q552 A555 V577 K578 A580 F816	A545-V551 HydrophobicContact CB-CG1 4.25Å; A545-Q552 HydrophobicContact CB-CG 4.1Å; A545-A555 HydrophobicContact CB-CB 4.15Å; A545-V577 HydrophobicContact CB-CG1 3.51Å; A545-K578 PolarHBondContact N-O 3.45Å; A545-A580 WeakPolarHBondContact O-CB 3.42Å; A545-A580 PolarHBondContact O-N 3.16Å; A545-F816 WeakPolarHBondContact CA-O 3.33Å; A545-F816 HydrophobicContact CB-CB 4.22Å
546	S	88	Confident	84.8	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.			trans	-53.1	150.2	161.5	154.3	0	0	0	0	110.4	E548 Q552 D587 F816	S546-E548 PolarHBondContact O-N 3.12Å; S546-E548 PolarHBondContact OG-N 3.46Å; S546-Q552 WeakPolarHBondContact O-CG 3.48Å; S546-D587 WeakPolarHBondContact CA-OD2 3.33Å; S546-D587 WeakPolarHBondContact CB-OD1 3.44Å; S546-D587 PolarHBondContact OG-OD1 3.14Å; S546-F816 PolarHBondContact N-O 3.28Å; S546-F816 VanDerWaalsContact N-O 3.1Å
547	D	80	Confident	85.9	Confident	56 Å²	56	17.8 Å²	17.8	30%	0.299	9%	0.088	S	C	.	.	S	Bend	trans	-67.7	3.4	-179.3	-109.1	29	0	0	0	115	S579 N581 D587 I1421	D547-S579 VanDerWaalsContact OD1-CB 3.28Å; D547-S579 WeakPolarHBondContact OD1-CB 3.4Å; D547-S579 PolarHBondContact OD1-OG 2.92Å; D547-N581 HydrophobicContact CB-CB 3.97Å; D547-N581 WeakPolarHBondContact OD2-CB 3.33Å; D547-N581 PolarHBondContact OD2-ND2 3.24Å; D547-D587 PolarHBondContact N-OD1 2.67Å; D547-D587 PolarHBondContact N-OD2 3.22Å; D547-I1421 HydrophobicContact CB-CD1 3.59Å
548	E	80	Confident	87.3	Confident	22 Å²	22	17.5 Å²	17.5	10%	0.103	9%	0.087	C	C	.	.	S	Bend	trans	-80.8	123.3	174.7	-168.7	170.7	49.6	0	0	112.3	K362 S546 R550 V551 Q552	K362-E548 IonicContact NZ-OE2 3.12Å; K362-E548 PolarHBondContact NZ-OE2 2.79Å; S546-E548 PolarHBondContact O-N 3.12Å; S546-E548 PolarHBondContact OG-N 3.46Å; E548-R550 VanDerWaalsContact C-N 3.3Å; E548-R550 HydrophobicContact CG-CG 4.43Å; E548-R550 PolarHBondContact O-N 3.02Å; E548-R550 IonicContact OE1-CZ 3.82Å; E548-R550 IonicContact OE1-NE 3.84Å; E548-R550 IonicContact OE1-NH1 2.66Å; E548-R550 PolarHBondContact OE1-NH1 3.15Å; E548-R550 IonicContact OE1-NH2 3.15Å; E548-R550 PolarHBondContact OE1-NH2 3.5Å; E548-R550 IonicContact OE2-CZ 2.69Å; E548-R550 VanDerWaalsContact OE2-CZ 3.32Å; E548-R550 IonicContact OE2-NH1 2.6Å; E548-R550 PolarHBondContact OE2-NH1 3.33Å; E548-R550 IonicContact OE2-NH2 2.63Å; E548-R550 PolarHBondContact OE2-NH2 2.88Å; E548-R550 VanDerWaalsContact OE2-NH2 3.13Å; E548-V551 HydrophobicContact CB-CG2 3.99Å; E548-V551 WeakPolarHBondContact O-CA 3.5Å; E548-V551 VanDerWaalsContact O-CB 3.29Å; E548-V551 WeakPolarHBondContact O-CB 3.32Å; E548-V551 PolarHBondContact O-N 3.39Å; E548-Q552 PolarHBondContact O-N 3.3Å; E548-Q552 VanDerWaalsContact O-N 3.11Å
549	G	81.1	Confident	88.3	Confident	22 Å²	22	16.5 Å²	16.5	23%	0.227	8%	0.083	C	C	.	.	H	α-helix	trans	-53.3	-35.2	-170.6	0	0	0	0	0	115.9	M553	G549-M553 WeakPolarHBondContact O-CB 3.32Å; G549-M553 VanDerWaalsContact O-CG 3.23Å; G549-M553 WeakPolarHBondContact O-CG 3.19Å; G549-M553 PolarHBondContact O-N 2.83Å
550	R	88.1	Confident	88.6	Confident	22 Å²	22	18.4 Å²	18.4	8%	0.083	9%	0.091	C	C	.	.	H	α-helix	trans	-70	-30.3	174.7	69.3	172.5	171	-62.6	-15	113.4	H356 R359 G494 L496 E548 T554	H356-R550 HydrophobicContact CB-CG 4.44Å; H356-R550 PolarHBondContact CD2-NE 3.28Å; H356-R550 PolarHBondContact CE1-NE 3.11Å; H356-R550 PolarHBondContact NE2-NE 3.31Å; R359-R550 VanDerWaalsContact CB-CD 3.46Å; G494-R550 VanDerWaalsContact O-CD 3.3Å; G494-R550 WeakPolarHBondContact O-CD 3.29Å; G494-R550 PolarHBondContact O-NH1 3.29Å; L496-R550 HydrophobicContact CB-CB 3.98Å; L496-R550 HydrophobicContact CD1-CB 4.4Å; E548-R550 VanDerWaalsContact C-N 3.3Å; E548-R550 HydrophobicContact CG-CG 4.43Å; E548-R550 PolarHBondContact O-N 3.02Å; E548-R550 IonicContact OE1-CZ 3.82Å; E548-R550 IonicContact OE1-NE 3.84Å; E548-R550 IonicContact OE1-NH1 2.66Å; E548-R550 PolarHBondContact OE1-NH1 3.15Å; E548-R550 IonicContact OE1-NH2 3.15Å; E548-R550 PolarHBondContact OE1-NH2 3.5Å; E548-R550 IonicContact OE2-CZ 2.69Å; E548-R550 VanDerWaalsContact OE2-CZ 3.32Å; E548-R550 IonicContact OE2-NH1 2.6Å; E548-R550 PolarHBondContact OE2-NH1 3.33Å; E548-R550 IonicContact OE2-NH2 2.63Å; E548-R550 PolarHBondContact OE2-NH2 2.88Å; E548-R550 VanDerWaalsContact OE2-NH2 3.13Å; R550-T554 WeakPolarHBondContact O-CB 3.46Å; R550-T554 PolarHBondContact O-N 3.46Å; R550-T554 PolarHBondContact O-OG1 2.77Å
551	V	92.4	Very high	89	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70.3	-48.1	174.7	-173	0	0	0	0	109.5	H356 A545 E548 M553 T554 A555 F816	H356-V551 HydrophobicContact CB-CG2 4.08Å; A545-V551 HydrophobicContact CB-CG1 4.25Å; E548-V551 HydrophobicContact CB-CG2 3.99Å; E548-V551 WeakPolarHBondContact O-CA 3.5Å; E548-V551 VanDerWaalsContact O-CB 3.29Å; E548-V551 WeakPolarHBondContact O-CB 3.32Å; E548-V551 PolarHBondContact O-N 3.39Å; V551-M553 PolarHBondContact O-N 3.46Å; V551-T554 WeakPolarHBondContact O-CB 3.09Å; V551-T554 PolarHBondContact O-N 3.37Å; V551-T554 VanDerWaalsContact O-N 3.13Å; V551-A555 PolarHBondContact O-N 2.99Å; V551-F816 HydrophobicContact CG1-CB 3.69Å; V551-F816 WeakPolarHBondContact CG1-O 3.44Å
552	Q	90	Very high	89.2	Confident	42 Å²	42	16.6 Å²	16.6	20%	0.196	8%	0.082	C	C	.	.	H	α-helix	trans	-56.9	-46.2	175	-68.8	-175.7	-18.4	0	0	112.6	A545 S546 E548 T554 A555 A556 L573	A545-Q552 HydrophobicContact CB-CG 4.1Å; S546-Q552 WeakPolarHBondContact O-CG 3.48Å; E548-Q552 PolarHBondContact O-N 3.3Å; E548-Q552 VanDerWaalsContact O-N 3.11Å; Q552-T554 VanDerWaalsContact C-N 3.34Å; Q552-T554 PolarHBondContact O-N 3.2Å; Q552-A555 WeakPolarHBondContact O-CB 3.24Å; Q552-A555 PolarHBondContact O-N 3.29Å; Q552-A556 PolarHBondContact O-N 2.87Å; Q552-L573 HydrophobicContact CB-CD1 3.79Å; Q552-L573 HydrophobicContact CB-CD2 4.23Å; Q552-L573 HydrophobicContact CG-CD1 4.38Å
553	M	89.8	Confident	89.1	Confident	42 Å²	42	14.3 Å²	14.3	21%	0.207	7%	0.072	C	C	.	.	H	α-helix	trans	-70.7	-28.2	177.1	-66.9	-64.1	-71.2	0	0	112.8	L496 G549 V551 A557 L569 L573	L496-M553 HydrophobicContact CB-CB 4.48Å; L496-M553 HydrophobicContact CD2-CB 3.76Å; G549-M553 WeakPolarHBondContact O-CB 3.32Å; G549-M553 VanDerWaalsContact O-CG 3.23Å; G549-M553 WeakPolarHBondContact O-CG 3.19Å; G549-M553 PolarHBondContact O-N 2.83Å; V551-M553 PolarHBondContact O-N 3.46Å; M553-A557 WeakPolarHBondContact O-CB 3.4Å; M553-A557 PolarHBondContact O-N 2.98Å; M553-L569 HydrophobicContact CE-CB 3.65Å; M553-L569 HydrophobicContact CE-CD1 3.88Å; M553-L569 HydrophobicContact CE-CG 4.43Å; M553-L573 HydrophobicContact SD-CD2 3.82Å
554	T	95.2	Very high	88.6	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.9	-48.4	170.5	-56.9	0	0	0	0	109.6	G357 L496 A504 R550 V551 Q552 A556 A557 F558 F816 L859	G357-T554 PolarHBondContact N-OG1 2.81Å; L496-T554 VanDerWaalsContact CD1-OG1 3.29Å; L496-T554 WeakPolarHBondContact CD1-OG1 3.27Å; A504-T554 HydrophobicContact CB-CG2 3.87Å; R550-T554 WeakPolarHBondContact O-CB 3.46Å; R550-T554 PolarHBondContact O-N 3.46Å; R550-T554 PolarHBondContact O-OG1 2.77Å; V551-T554 WeakPolarHBondContact O-CB 3.09Å; V551-T554 PolarHBondContact O-N 3.37Å; V551-T554 VanDerWaalsContact O-N 3.13Å; Q552-T554 VanDerWaalsContact C-N 3.34Å; Q552-T554 PolarHBondContact O-N 3.2Å; T554-A556 VanDerWaalsContact C-N 3.3Å; T554-A556 PolarHBondContact O-N 3.2Å; T554-A557 PolarHBondContact O-N 3.35Å; T554-F558 WeakPolarHBondContact O-CB 3.43Å; T554-F558 PolarHBondContact O-N 2.92Å; T554-F816 HydrophobicContact CG2-CD1 3.92Å; T554-F816 HydrophobicContact CG2-CE1 4.1Å; T554-L859 HydrophobicContact CG2-CD2 3.53Å
555	A	94.7	Very high	87.8	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.3	-40.1	179.2	0	0	0	0	0	112.2	I543 A545 V551 Q552 A559 V577 F816	I543-A555 HydrophobicContact CG2-CB 4.11Å; A545-A555 HydrophobicContact CB-CB 4.15Å; V551-A555 PolarHBondContact O-N 2.99Å; Q552-A555 WeakPolarHBondContact O-CB 3.24Å; Q552-A555 PolarHBondContact O-N 3.29Å; A555-A559 WeakPolarHBondContact O-CB 3.34Å; A555-A559 PolarHBondContact O-N 2.97Å; A555-V577 HydrophobicContact CB-CB 4.37Å; A555-V577 HydrophobicContact CB-CG1 3.62Å; A555-V577 HydrophobicContact CB-CG2 3.75Å; A555-F816 HydrophobicContact CB-CB 3.86Å; A555-F816 HydrophobicContact CB-CD1 4.21Å; A555-F816 HydrophobicContact CB-CD2 3.39Å; A555-F816 HydrophobicContact CB-CE2 4.02Å; A555-F816 HydrophobicContact CB-CG 3.52Å
556	A	89.9	Confident	86.8	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-69.7	-39.6	176.4	0	0	0	0	0	113.1	Q552 T554 A559 K560 I572 L573 V577	Q552-A556 PolarHBondContact O-N 2.87Å; T554-A556 VanDerWaalsContact C-N 3.3Å; T554-A556 PolarHBondContact O-N 3.2Å; A556-A559 WeakPolarHBondContact O-CB 3.2Å; A556-A559 PolarHBondContact O-N 3.07Å; A556-K560 WeakPolarHBondContact O-CB 3.47Å; A556-K560 PolarHBondContact O-N 2.91Å; A556-I572 HydrophobicContact CB-CG2 4.32Å; A556-L573 HydrophobicContact CB-CB 3.85Å; A556-V577 HydrophobicContact CB-CG2 4.41Å
557	A	92.9	Very high	85.8	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-68.7	-40.7	175.4	0	0	0	0	0	112.1	K501 A504 E505 M553 T554 K560 G561 L569	K501-A557 HydrophobicContact CB-CB 4.42Å; A504-A557 HydrophobicContact CB-CB 3.77Å; E505-A557 WeakPolarHBondContact CA-O 3.45Å; M553-A557 WeakPolarHBondContact O-CB 3.4Å; M553-A557 PolarHBondContact O-N 2.98Å; T554-A557 PolarHBondContact O-N 3.35Å; A557-K560 WeakPolarHBondContact O-CB 3.43Å; A557-K560 PolarHBondContact O-N 2.87Å; A557-G561 PolarHBondContact O-N 3.22Å; A557-G561 VanDerWaalsContact O-N 3.14Å; A557-L569 HydrophobicContact CB-CD1 4.02Å; A557-L569 HydrophobicContact CB-CD2 4.1Å
558	F	95.1	Very high	85.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-48.9	170.3	-178.5	-76.4	0	0	0	111.1	I354 A504 L507 F511 T554 K560 G561 F562 L814 F816	I354-F558 HydrophobicContact CD1-CD2 4.44Å; I354-F558 HydrophobicContact CD1-CE2 3.9Å; I354-F558 HydrophobicContact CD1-CZ 4.18Å; A504-F558 HydrophobicContact CB-CB 4.36Å; A504-F558 WeakPolarHBondContact O-CA 3.44Å; L507-F558 HydrophobicContact CB-CD2 4.49Å; L507-F558 HydrophobicContact CD2-CD2 4.38Å; L507-F558 HydrophobicContact CD2-CE2 4.3Å; L507-F558 HydrophobicContact CG-CD2 4.27Å; L507-F558 HydrophobicContact CG-CE2 4Å; F511-F558 HydrophobicContact CB-CE2 4.17Å; F511-F558 HydrophobicContact CB-CZ 3.66Å; F511-F558 HydrophobicContact CD1-CE2 4.36Å; F511-F558 AromaticContact CD1-CZ 3.71Å; F511-F558 HydrophobicContact CD1-CZ 3.71Å; F511-F558 HydrophobicContact CD2-CE2 4.06Å; F511-F558 HydrophobicContact CD2-CZ 4.17Å; F511-F558 HydrophobicContact CE1-CZ 4.38Å; F511-F558 AromaticContact CG-CE2 3.94Å; F511-F558 HydrophobicContact CG-CE2 3.94Å; F511-F558 AromaticContact CG-CZ 3.57Å; F511-F558 HydrophobicContact CG-CZ 3.57Å; T554-F558 WeakPolarHBondContact O-CB 3.43Å; T554-F558 PolarHBondContact O-N 2.92Å; F558-K560 VanDerWaalsContact C-N 3.28Å; F558-K560 PolarHBondContact O-N 3.14Å; F558-G561 CarbonylContact O-C 3.58Å; F558-G561 WeakPolarHBondContact O-CA 3.34Å; F558-G561 PolarHBondContact O-N 3.07Å; F558-F562 HydrophobicContact CD1-CB 3.89Å; F558-F562 HydrophobicContact CD1-CG 4.3Å; F558-F562 HydrophobicContact CE1-CB 3.69Å; F558-F562 HydrophobicContact CE1-CD1 4.33Å; F558-F562 AromaticContact CE1-CD2 3.62Å; F558-F562 HydrophobicContact CE1-CD2 3.62Å; F558-F562 HydrophobicContact CE1-CE2 4.28Å; F558-F562 AromaticContact CE1-CG 3.64Å; F558-F562 HydrophobicContact CE1-CG 3.64Å; F558-F562 AromaticContact CZ-CD2 3.98Å; F558-F562 HydrophobicContact CZ-CD2 3.98Å; F558-F562 HydrophobicContact CZ-CG 4.44Å; F558-F562 WeakPolarHBondContact O-CB 3.38Å; F558-F562 PolarHBondContact O-N 2.97Å; F558-L814 HydrophobicContact CD1-CD1 4.17Å; F558-L814 HydrophobicContact CE1-CD1 3.53Å; F558-L814 HydrophobicContact CZ-CD1 4.32Å; F558-F816 HydrophobicContact CB-CE1 3.88Å; F558-F816 HydrophobicContact CB-CE2 4.49Å; F558-F816 HydrophobicContact CB-CZ 3.57Å; F558-F816 HydrophobicContact CD1-CE2 4.28Å; F558-F816 AromaticContact CD1-CZ 3.66Å; F558-F816 HydrophobicContact CD1-CZ 3.66Å; F558-F816 HydrophobicContact CD2-CE1 4.14Å; F558-F816 AromaticContact CD2-CZ 3.79Å; F558-F816 HydrophobicContact CD2-CZ 3.79Å; F558-F816 HydrophobicContact CE1-CZ 4.28Å; F558-F816 HydrophobicContact CE2-CZ 4.34Å; F558-F816 HydrophobicContact CG-CE1 4.01Å; F558-F816 HydrophobicContact CG-CE2 4.39Å; F558-F816 AromaticContact CG-CZ 3.4Å; F558-F816 HydrophobicContact CG-CZ 3.4Å
559	A	91.3	Very high	85.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-53.7	-44.3	177.8	0	0	0	0	0	112.6	I543 A555 A556 F562 L563 I572 M576	I543-A559 HydrophobicContact CD1-CB 3.85Å; A555-A559 WeakPolarHBondContact O-CB 3.34Å; A555-A559 PolarHBondContact O-N 2.97Å; A556-A559 WeakPolarHBondContact O-CB 3.2Å; A556-A559 PolarHBondContact O-N 3.07Å; A559-F562 PolarHBondContact O-N 1.82Å; A559-L563 PolarHBondContact O-N 3.32Å; A559-I572 HydrophobicContact CB-CG2 3.87Å; A559-M576 HydrophobicContact CB-CE 3.49Å; A559-M576 VanDerWaalsContact CB-CE 3.49Å; A559-M576 HydrophobicContact CB-SD 4.09Å
560	K	86.9	Confident	84.9	Confident	44 Å²	44	28.9 Å²	28.9	19%	0.191	16%	0.16	C	C	.	.	H	α-helix	trans	-57.2	-48.1	174.5	-177.3	173.9	170.9	174.3	0	112	E505 A556 A557 F558 A564 L565 G567 L569 I572	E505-K560 HydrophobicContact CG-CB 4.43Å; E505-K560 HydrophobicContact CG-CG 4.32Å; E505-K560 VanDerWaalsContact OE2-CD 3.27Å; E505-K560 WeakPolarHBondContact OE2-CD 3.35Å; E505-K560 WeakPolarHBondContact OE2-CE 3.4Å; E505-K560 IonicContact OE2-NZ 2.73Å; A556-K560 WeakPolarHBondContact O-CB 3.47Å; A556-K560 PolarHBondContact O-N 2.91Å; A557-K560 WeakPolarHBondContact O-CB 3.43Å; A557-K560 PolarHBondContact O-N 2.87Å; F558-K560 VanDerWaalsContact C-N 3.28Å; F558-K560 PolarHBondContact O-N 3.14Å; K560-A564 WeakPolarHBondContact O-CA 3.34Å; K560-A564 PolarHBondContact O-N 2.88Å; K560-A564 VanDerWaalsContact O-N 3.13Å; K560-L565 WeakPolarHBondContact CE-O 3.44Å; K560-L565 HydrophobicContact CG-CB 4.24Å; K560-L565 WeakPolarHBondContact CG-O 3.46Å; K560-L565 PolarHBondContact O-N 2.58Å; K560-G567 PolarHBondContact NZ-O 3.24Å; K560-L569 HydrophobicContact CB-CD2 4.33Å; K560-L569 HydrophobicContact CD-CD2 3.88Å; K560-I572 HydrophobicContact CB-CD1 3.85Å; K560-I572 HydrophobicContact CD-CD1 4.12Å; K560-I572 HydrophobicContact CG-CD1 4.04Å
561	G	87	Confident	83.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-46.9	176	0	0	0	0	0	113.4	E505 R512 A557 F558 L563 A564	E505-G561 VanDerWaalsContact O-CA 3.29Å; E505-G561 WeakPolarHBondContact O-CA 3.39Å; R512-G561 PolarHBondContact NE-O 3.37Å; R512-G561 VanDerWaalsContact NE-O 3.16Å; R512-G561 PolarHBondContact NH2-O 2.82Å; A557-G561 PolarHBondContact O-N 3.22Å; A557-G561 VanDerWaalsContact O-N 3.14Å; F558-G561 CarbonylContact O-C 3.58Å; F558-G561 WeakPolarHBondContact O-CA 3.34Å; F558-G561 PolarHBondContact O-N 3.07Å; G561-L563 PolarHBondContact O-N 3.37Å; G561-A564 PolarHBondContact O-N 2.96Å
562	F	89.5	Confident	83	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-43.1	-176.4	-171.9	-116.3	0	0	0	112.5	G508 F511 Y515 L530 L531 H539 L541 F558 A559 L814	G508-F562 VanDerWaalsContact O-CA 3.29Å; G508-F562 WeakPolarHBondContact O-CA 3.26Å; F511-F562 HydrophobicContact CB-CD2 3.81Å; F511-F562 HydrophobicContact CB-CE2 3.94Å; F511-F562 HydrophobicContact CD1-CE2 4.45Å; Y515-F562 AromaticContact CE2-CE2 3.84Å; Y515-F562 HydrophobicContact CE2-CE2 3.84Å; Y515-F562 AromaticContact CE2-CZ 3.88Å; Y515-F562 HydrophobicContact CE2-CZ 3.88Å; Y515-F562 AromaticContact CZ-CZ 3.96Å; L530-F562 HydrophobicContact CD1-CZ 4.11Å; L530-F562 HydrophobicContact CD2-CD1 4.31Å; L530-F562 HydrophobicContact CD2-CD2 3.64Å; L530-F562 HydrophobicContact CD2-CE1 3.96Å; L530-F562 HydrophobicContact CD2-CE2 3.24Å; L530-F562 HydrophobicContact CD2-CG 4.16Å; L530-F562 HydrophobicContact CD2-CZ 3.42Å; L530-F562 VanDerWaalsContact CD2-CZ 3.42Å; L530-F562 HydrophobicContact CG-CZ 4.41Å; L531-F562 WeakPolarHBondContact CD2-O 3.39Å; H539-F562 AromaticContact CE1-CE1 3.67Å; L541-F562 HydrophobicContact CD1-CE1 3.89Å; L541-F562 HydrophobicContact CD2-CD1 4.15Å; L541-F562 HydrophobicContact CD2-CE1 3.9Å; F558-F562 HydrophobicContact CD1-CB 3.89Å; F558-F562 HydrophobicContact CD1-CG 4.3Å; F558-F562 HydrophobicContact CE1-CB 3.69Å; F558-F562 HydrophobicContact CE1-CD1 4.33Å; F558-F562 AromaticContact CE1-CD2 3.62Å; F558-F562 HydrophobicContact CE1-CD2 3.62Å; F558-F562 HydrophobicContact CE1-CE2 4.28Å; F558-F562 AromaticContact CE1-CG 3.64Å; F558-F562 HydrophobicContact CE1-CG 3.64Å; F558-F562 AromaticContact CZ-CD2 3.98Å; F558-F562 HydrophobicContact CZ-CD2 3.98Å; F558-F562 HydrophobicContact CZ-CG 4.44Å; F558-F562 WeakPolarHBondContact O-CB 3.38Å; F558-F562 PolarHBondContact O-N 2.97Å; A559-F562 PolarHBondContact O-N 1.82Å; F562-L814 HydrophobicContact CD1-CD1 4.36Å; F562-L814 HydrophobicContact CE1-CD1 4.14Å; F562-L814 HydrophobicContact CZ-CD1 4.34Å
563	L	84.2	Confident	82.4	Confident	8 Å²	8	28.8 Å²	28.8	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-104.8	5.2	-177.1	-59.5	-175.4	0	0	0	115.1	I251 H534 L541 A559 G561 L565 M576	I251-L563 HydrophobicContact CD1-CD1 3.49Å; I251-L563 VanDerWaalsContact CD1-CD1 3.49Å; I251-L563 HydrophobicContact CG1-CD1 4.13Å; H534-L563 HydrophobicContact CB-CD2 4.06Å; L541-L563 HydrophobicContact CD2-CD1 3.84Å; L541-L563 HydrophobicContact CD2-CD2 4.19Å; L541-L563 HydrophobicContact CD2-CG 4.32Å; A559-L563 PolarHBondContact O-N 3.32Å; G561-L563 PolarHBondContact O-N 3.37Å; L563-L565 HydrophobicContact CB-CD1 4.28Å; L563-L565 HydrophobicContact CB-CD2 3.49Å; L563-L565 VanDerWaalsContact CB-CD2 3.49Å; L563-L565 HydrophobicContact CB-CG 3.79Å; L563-M576 HydrophobicContact CD1-CE 3.65Å; L563-M576 HydrophobicContact CD1-SD 4.27Å
564	A	81.1	Confident	81.5	Confident	44 Å²	44	31.4 Å²	31.4	36%	0.364	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	46.3	-176.5	0	0	0	0	0	113.6	R512 L531 K560 G561	R512-A564 VanDerWaalsContact NH2-CB 3.34Å; L531-A564 HydrophobicContact CD1-CB 3.85Å; L531-A564 HydrophobicContact CD2-CB 4.31Å; K560-A564 WeakPolarHBondContact O-CA 3.34Å; K560-A564 PolarHBondContact O-N 2.88Å; K560-A564 VanDerWaalsContact O-N 3.13Å; G561-A564 PolarHBondContact O-N 2.96Å
565	L	75.1	Confident	80.3	Confident	29 Å²	29	34.9 Å²	34.9	15%	0.152	20%	0.198	C	C	.	.			trans	-83.9	140.8	-173.6	-47.9	-177.5	0	0	0	112.6	P249 K560 L563 I572 M576	P249-L565 HydrophobicContact CB-CB 4.06Å; P249-L565 HydrophobicContact CB-CD1 4Å; P249-L565 HydrophobicContact CB-CD2 3.7Å; P249-L565 HydrophobicContact CB-CG 4.12Å; P249-L565 HydrophobicContact CG-CB 3.98Å; P249-L565 HydrophobicContact CG-CD1 3.85Å; P249-L565 HydrophobicContact CG-CD2 4.41Å; P249-L565 HydrophobicContact CG-CG 4.29Å; K560-L565 WeakPolarHBondContact CE-O 3.44Å; K560-L565 HydrophobicContact CG-CB 4.24Å; K560-L565 WeakPolarHBondContact CG-O 3.46Å; K560-L565 PolarHBondContact O-N 2.58Å; L563-L565 HydrophobicContact CB-CD1 4.28Å; L563-L565 HydrophobicContact CB-CD2 3.49Å; L563-L565 VanDerWaalsContact CB-CD2 3.49Å; L563-L565 HydrophobicContact CB-CG 3.79Å; L565-I572 HydrophobicContact CB-CD1 4.13Å; L565-I572 HydrophobicContact CD1-CD1 4.18Å; L565-I572 HydrophobicContact CD1-CG1 4.35Å; L565-I572 HydrophobicContact CD1-CG2 4.15Å; L565-M576 HydrophobicContact CD1-SD 3.59Å; L565-M576 VanDerWaalsContact CD1-SD 3.59Å
566	E	70.3	Confident	79.5	Confident	120 Å²	120	35.7 Å²	35.7	56%	0.561	20%	0.202	S	C	*	.			trans	-91.3	152.4	170.5	-66.8	175.6	-170.9	0	0	110.2
567	G	66.6	Low	79.1	Confident	42 Å²	42	36.4 Å²	36.4	43%	0.433	21%	0.206	S	C	.	.	S	Bend	trans	104	-171.6	176.6	0	0	0	0	0	116.3	K560	K560-G567 PolarHBondContact NZ-O 3.24Å
568	E	71.5	Confident	78.7	Confident	135 Å²	135	42 Å²	42	63%	0.631	23%	0.23	S	C	*	.			trans	-84.4	160	-175.7	-83	-57.1	145.6	0	0	113.7	P571 I572	E568-P571 WeakPolarHBondContact O-CD 3.35Å; E568-I572 WeakPolarHBondContact O-CG1 3.49Å
569	L	77.5	Confident	77.6	Confident	13 Å²	13	44 Å²	44	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-72.2	-37.4	-175.9	-62.4	-176.8	0	0	0	115.7	K501 M553 A557 K560 I572 L573	K501-L569 HydrophobicContact CB-CD1 4.46Å; K501-L569 HydrophobicContact CD-CD1 3.89Å; K501-L569 HydrophobicContact CG-CD1 3.93Å; M553-L569 HydrophobicContact CE-CB 3.65Å; M553-L569 HydrophobicContact CE-CD1 3.88Å; M553-L569 HydrophobicContact CE-CG 4.43Å; A557-L569 HydrophobicContact CB-CD1 4.02Å; A557-L569 HydrophobicContact CB-CD2 4.1Å; K560-L569 HydrophobicContact CB-CD2 4.33Å; K560-L569 HydrophobicContact CD-CD2 3.88Å; L569-I572 PolarHBondContact O-N 3.28Å; L569-L573 PolarHBondContact O-N 2.74Å
570	P	73.1	Confident	76.1	Confident	64 Å²	64	44.2 Å²	44.2	42%	0.416	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-40.4	-176.9	-23.5	34.9	0	0	0	115.2	I572 L573 V574	P570-I572 VanDerWaalsContact C-N 3.34Å; P570-I572 PolarHBondContact O-N 3.48Å; P570-L573 WeakPolarHBondContact O-CB 3.39Å; P570-L573 PolarHBondContact O-N 3.22Å; P570-V574 WeakPolarHBondContact O-CG2 3.33Å; P570-V574 PolarHBondContact O-N 2.96Å
571	P	66.2	Low	74.6	Confident	32 Å²	32	45.2 Å²	45.2	21%	0.208	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-41	171.3	-25.3	34.8	0	0	0	113.2	Y248 E568 V574 Q575	Y248-P571 HydrophobicContact CD1-CB 3.54Å; Y248-P571 HydrophobicContact CD1-CG 3.71Å; Y248-P571 HydrophobicContact CE1-CB 4.01Å; Y248-P571 HydrophobicContact CE1-CG 3.66Å; Y248-P571 HydrophobicContact CG-CB 4.32Å; E568-P571 WeakPolarHBondContact O-CD 3.35Å; P571-V574 PolarHBondContact O-N 3.35Å; P571-Q575 WeakPolarHBondContact O-CB 3.5Å; P571-Q575 WeakPolarHBondContact O-CG 3.23Å; P571-Q575 PolarHBondContact O-N 2.86Å
572	I	75.2	Confident	72.9	Confident	2 Å²	2	51 Å²	51	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-42.2	178.6	-61.1	173.4	0	0	0	110.6	P249 A556 A559 K560 L565 E568 L569 P570 M576	P249-I572 HydrophobicContact CG-CD1 4.4Å; P249-I572 HydrophobicContact CG-CG1 3.94Å; A556-I572 HydrophobicContact CB-CG2 4.32Å; A559-I572 HydrophobicContact CB-CG2 3.87Å; K560-I572 HydrophobicContact CB-CD1 3.85Å; K560-I572 HydrophobicContact CD-CD1 4.12Å; K560-I572 HydrophobicContact CG-CD1 4.04Å; L565-I572 HydrophobicContact CB-CD1 4.13Å; L565-I572 HydrophobicContact CD1-CD1 4.18Å; L565-I572 HydrophobicContact CD1-CG1 4.35Å; L565-I572 HydrophobicContact CD1-CG2 4.15Å; E568-I572 WeakPolarHBondContact O-CG1 3.49Å; L569-I572 PolarHBondContact O-N 3.28Å; P570-I572 VanDerWaalsContact C-N 3.34Å; P570-I572 PolarHBondContact O-N 3.48Å; I572-M576 HydrophobicContact CG2-SD 3.94Å; I572-M576 WeakPolarHBondContact O-CB 3.32Å; I572-M576 PolarHBondContact O-N 2.76Å
573	L	77.6	Confident	71.3	Confident	29 Å²	29	57.8 Å²	57.8	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-54.6	-57.2	171.9	166.1	50.8	0	0	0	110.8	Q552 M553 A556 L569 P570 Q575 V577	Q552-L573 HydrophobicContact CB-CD1 3.79Å; Q552-L573 HydrophobicContact CB-CD2 4.23Å; Q552-L573 HydrophobicContact CG-CD1 4.38Å; M553-L573 HydrophobicContact SD-CD2 3.82Å; A556-L573 HydrophobicContact CB-CB 3.85Å; L569-L573 PolarHBondContact O-N 2.74Å; P570-L573 WeakPolarHBondContact O-CB 3.39Å; P570-L573 PolarHBondContact O-N 3.22Å; L573-Q575 VanDerWaalsContact C-N 3.34Å; L573-Q575 PolarHBondContact O-N 2.77Å; L573-V577 HydrophobicContact CD1-CB 3.84Å; L573-V577 HydrophobicContact CD1-CG1 4.04Å; L573-V577 PolarHBondContact O-N 3.37Å
574	V	71.7	Confident	70.4	Confident	96 Å²	96	58.2 Å²	58.2	58%	0.582	33%	0.332	S	S	*	.	H	α-helix	trans	-60.9	-39.7	-176.5	172.5	0	0	0	0	112.5	P570 P571	P570-V574 WeakPolarHBondContact O-CG2 3.33Å; P570-V574 PolarHBondContact O-N 2.96Å; P571-V574 PolarHBondContact O-N 3.35Å
575	Q	69.5	Low	70.1	Confident	73 Å²	73	57 Å²	57	34%	0.341	32%	0.319	S	S	.	.	H	α-helix	trans	-87.5	-25.5	-174.2	-66.8	-172.8	-6.6	0	0	114.8	P249 P571 L573	P249-Q575 PolarHBondContact O-OE1 2.87Å; P571-Q575 WeakPolarHBondContact O-CB 3.5Å; P571-Q575 WeakPolarHBondContact O-CG 3.23Å; P571-Q575 PolarHBondContact O-N 2.86Å; L573-Q575 VanDerWaalsContact C-N 3.34Å; L573-Q575 PolarHBondContact O-N 2.77Å
576	M	77.3	Confident	70.2	Confident	18 Å²	18	55.7 Å²	55.7	9%	0.089	31%	0.313	C	S	.	.	H	α-helix	trans	-116.6	-31.2	-173.4	-65.3	-175.1	48.2	0	0	115.8	I251 L541 I543 A559 L563 L565 I572	I251-M576 HydrophobicContact CD1-CE 3.45Å; I251-M576 VanDerWaalsContact CD1-CE 3.45Å; I251-M576 HydrophobicContact CD1-CG 3.86Å; I251-M576 HydrophobicContact CD1-SD 3.66Å; I251-M576 HydrophobicContact CG1-CG 4.43Å; I251-M576 HydrophobicContact CG1-SD 4.3Å; L541-M576 HydrophobicContact CD2-CE 4.31Å; I543-M576 HydrophobicContact CD1-CE 3.71Å; A559-M576 HydrophobicContact CB-CE 3.49Å; A559-M576 VanDerWaalsContact CB-CE 3.49Å; A559-M576 HydrophobicContact CB-SD 4.09Å; L563-M576 HydrophobicContact CD1-CE 3.65Å; L563-M576 HydrophobicContact CD1-SD 4.27Å; L565-M576 HydrophobicContact CD1-SD 3.59Å; L565-M576 VanDerWaalsContact CD1-SD 3.59Å; I572-M576 HydrophobicContact CG2-SD 3.94Å; I572-M576 WeakPolarHBondContact O-CB 3.32Å; I572-M576 PolarHBondContact O-N 2.76Å
577	V	82.3	Confident	70	Confident	14 Å²	14	50.5 Å²	50.5	9%	0.085	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	109.8	-167.1	178.5	0	0	0	0	109.8	I543 A545 A555 A556 L573	I543-V577 HydrophobicContact CG2-CG2 4.16Å; A545-V577 HydrophobicContact CB-CG1 3.51Å; A555-V577 HydrophobicContact CB-CB 4.37Å; A555-V577 HydrophobicContact CB-CG1 3.62Å; A555-V577 HydrophobicContact CB-CG2 3.75Å; A556-V577 HydrophobicContact CB-CG2 4.41Å; L573-V577 HydrophobicContact CD1-CB 3.84Å; L573-V577 HydrophobicContact CD1-CG1 4.04Å; L573-V577 PolarHBondContact O-N 3.37Å
578	K	83.7	Confident	70	Confident	118 Å²	118	52.6 Å²	52.6	51%	0.513	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.3	-179.2	-59.8	-167.5	176.7	-164.3	0	111	I543 Y544 A545 A580	I543-K578 PolarHBondContact O-N 2.89Å; Y544-K578 CarbonylContact C-O 3.58Å; Y544-K578 WeakPolarHBondContact CA-O 3.2Å; Y544-K578 HydrophobicContact CD1-CB 3.99Å; Y544-K578 HydrophobicContact CE1-CB 4.3Å; Y544-K578 HydrophobicContact CE1-CD 4.36Å; A545-K578 PolarHBondContact N-O 3.45Å; K578-A580 PolarHBondContact O-N 2.85Å
579	S	71.1	Confident	69.6	Low	44 Å²	44	46.8 Å²	46.8	31%	0.308	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	132.1	164.7	164.9	0	0	0	0	110.2	D547 N581	D547-S579 VanDerWaalsContact OD1-CB 3.28Å; D547-S579 WeakPolarHBondContact OD1-CB 3.4Å; D547-S579 PolarHBondContact OD1-OG 2.92Å; S579-N581 PolarHBondContact OG-N 3.44Å
580	A	60.3	Low	68.9	Low	3 Å²	3	50.1 Å²	50.1	3%	0.025	28%	0.281	C	S	.	.	S	Bend	trans	-85.1	-10.3	176.1	0	0	0	0	0	113.5	A545 K578 G584 L585 L586	A545-A580 WeakPolarHBondContact O-CB 3.42Å; A545-A580 PolarHBondContact O-N 3.16Å; K578-A580 PolarHBondContact O-N 2.85Å; A580-G584 PolarHBondContact O-N 3.13Å; A580-L585 HydrophobicContact CB-CB 4.13Å; A580-L585 PolarHBondContact O-N 2.93Å; A580-L586 HydrophobicContact CB-CB 3.82Å; A580-L586 HydrophobicContact CB-CD1 3.81Å; A580-L586 HydrophobicContact CB-CG 3.81Å
581	N	54.9	Low	68.7	Low	66 Å²	66	52.3 Å²	52.3	35%	0.353	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-77.7	-24.1	-166.9	-173.7	22.9	0	0	0	113.5	D547 S579 N583 G584	D547-N581 HydrophobicContact CB-CB 3.97Å; D547-N581 WeakPolarHBondContact OD2-CB 3.33Å; D547-N581 PolarHBondContact OD2-ND2 3.24Å; S579-N581 PolarHBondContact OG-N 3.44Å; N581-N583 PolarHBondContact O-N 2.75Å; N581-G584 PolarHBondContact O-N 3.04Å; N581-G584 VanDerWaalsContact O-N 3.07Å
582	T	51.8	Low	69.3	Low	120 Å²	120	50.9 Å²	50.9	74%	0.736	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-54.7	-29.3	174.6	52.8	0	0	0	0	113.2
583	N	55.8	Low	69.6	Low	143 Å²	143	54.8 Å²	54.8	77%	0.765	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-118.2	8.2	179.1	-61.9	9.5	0	0	0	112.7	N581 L585	N581-N583 PolarHBondContact O-N 2.75Å; N583-L585 VanDerWaalsContact C-N 3.26Å; N583-L585 PolarHBondContact O-N 3.31Å
584	G	64.9	Low	70	Confident	18 Å²	18	58.8 Å²	58.8	19%	0.186	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	26.7	-176.4	0	0	0	0	0	115.2	A580 N581 L586	A580-G584 PolarHBondContact O-N 3.13Å; N581-G584 PolarHBondContact O-N 3.04Å; N581-G584 VanDerWaalsContact O-N 3.07Å; G584-L586 PolarHBondContact O-N 3.36Å
585	L	76.8	Confident	70.8	Confident	18 Å²	18	55.7 Å²	55.7	9%	0.094	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.6	-163.9	174	67.2	0	0	0	114.8	A580 N583 P763 K767 Y815	A580-L585 HydrophobicContact CB-CB 4.13Å; A580-L585 PolarHBondContact O-N 2.93Å; N583-L585 VanDerWaalsContact C-N 3.26Å; N583-L585 PolarHBondContact O-N 3.31Å; L585-P763 HydrophobicContact CD1-CB 4.19Å; L585-P763 WeakPolarHBondContact CD1-O 3.31Å; L585-K767 HydrophobicContact CD1-CB 3.6Å; L585-K767 HydrophobicContact CD1-CG 4.07Å; L585-K767 HydrophobicContact CD2-CG 4.09Å; L585-Y815 HydrophobicContact CD2-CD1 4.49Å; L585-Y815 HydrophobicContact CD2-CE1 4.14Å
586	L	75.7	Confident	71.7	Confident	2 Å²	2	53 Å²	53	1%	0.01	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	12	-175.2	-64.2	177.1	0	0	0	113.8	A580 G584 L764 F816 H821	A580-L586 HydrophobicContact CB-CB 3.82Å; A580-L586 HydrophobicContact CB-CD1 3.81Å; A580-L586 HydrophobicContact CB-CG 3.81Å; G584-L586 PolarHBondContact O-N 3.36Å; L586-L764 HydrophobicContact CD2-CB 4.46Å; L586-L764 HydrophobicContact CD2-CD1 4.06Å; L586-L764 HydrophobicContact CD2-CD2 4.03Å; L586-L764 HydrophobicContact CD2-CG 4.41Å; L586-F816 WeakPolarHBondContact CD1-O 3.2Å; L586-H821 WeakPolarHBondContact CA-NE2 3.41Å; L586-H821 PolarHBondContact O-CE1 3.31Å; L586-H821 VanDerWaalsContact O-CE1 3.3Å
587	D	66.9	Low	72.3	Confident	10 Å²	10	55.3 Å²	55.3	5%	0.053	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	5.6	-160.7	-76.4	-60.2	0	0	0	114.6	S546 D547 I1421	S546-D587 WeakPolarHBondContact CA-OD2 3.33Å; S546-D587 WeakPolarHBondContact CB-OD1 3.44Å; S546-D587 PolarHBondContact OG-OD1 3.14Å; D547-D587 PolarHBondContact N-OD1 2.67Å; D547-D587 PolarHBondContact N-OD2 3.22Å; D587-I1421 HydrophobicContact CB-CD1 3.88Å; D587-I1421 WeakPolarHBondContact OD1-CD1 3.45Å
588	N	65.7	Low	72.7	Confident	87 Å²	87	56.8 Å²	56.8	47%	0.465	30%	0.295	S	S	.	.			trans	-110.1	55.5	-167.1	-164.7	15.4	0	0	0	115.3	N590	N588-N590 PolarHBondContact O-N 3.5Å; N588-N590 PolarHBondContact OD1-ND2 2.96Å
589	D	64.2	Low	73.2	Confident	12 Å²	12	51.2 Å²	51.2	6%	0.064	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-70.8	13.6	-179.2	-55.6	-27.6	0	0	0	115	D591 C592 R593 H821	D589-D591 PolarHBondContact O-N 3.13Å; D589-C592 PolarHBondContact O-SG 3.38Å; D589-R593 WeakPolarHBondContact O-CG 3.33Å; D589-H821 IonicContact OD1-CE1 2.62Å
590	N	62	Low	74.2	Confident	83 Å²	83	50.7 Å²	50.7	44%	0.444	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-66.8	-36.8	-168	-69.3	-64.8	0	0	0	113.2	N588 R593	N588-N590 PolarHBondContact O-N 3.5Å; N588-N590 PolarHBondContact OD1-ND2 2.96Å; N590-R593 PolarHBondContact OD1-NH1 3.49Å; N590-R593 PolarHBondContact OD1-NH2 3.44Å
591	D	68.8	Low	75.8	Confident	110 Å²	110	56.4 Å²	56.4	59%	0.588	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-81.1	-12.4	-172.4	-81.9	18.9	0	0	0	114.5	D589 R759	D589-D591 PolarHBondContact O-N 3.13Å; D591-R759 WeakPolarHBondContact O-CD 3.14Å; D591-R759 PolarHBondContact O-NH1 2.83Å
592	C	80.1	Confident	77.6	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.014	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-23.1	-178.2	68.8	0	0	0	0	114	D589 H594 Y595 Q596 R759 I760	D589-C592 PolarHBondContact O-SG 3.38Å; C592-H594 VanDerWaalsContact C-N 3.26Å; C592-H594 PolarHBondContact O-N 3.05Å; C592-H594 VanDerWaalsContact O-N 3.11Å; C592-Y595 PolarHBondContact O-N 2.91Å; C592-Q596 PolarHBondContact O-N 3.24Å; C592-Q596 PolarHBondContact SG-OE1 3.39Å; C592-R759 HydrophobicContact CB-CB 4.12Å; C592-I760 HydrophobicContact CB-CD1 4.37Å; C592-I760 HydrophobicContact CB-CG1 4.03Å
593	R	81.5	Confident	79.6	Confident	85 Å²	85	53.5 Å²	53.5	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-57.1	-34.4	-167.9	-61.4	-166	-173.4	109.7	5.5	114.5	D589 N590 Q596 Q597	D589-R593 WeakPolarHBondContact O-CG 3.33Å; N590-R593 PolarHBondContact OD1-NH1 3.49Å; N590-R593 PolarHBondContact OD1-NH2 3.44Å; R593-Q596 PolarHBondContact O-N 3.3Å; R593-Q597 WeakPolarHBondContact O-CG 3.46Å; R593-Q597 PolarHBondContact O-N 2.9Å
594	H	85.7	Confident	81.4	Confident	112 Å²	112	50.2 Å²	50.2	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-59.3	-47.7	177.4	178.5	-93	0	0	0	111.7	C592 Q597 M598	C592-H594 VanDerWaalsContact C-N 3.26Å; C592-H594 PolarHBondContact O-N 3.05Å; C592-H594 VanDerWaalsContact O-N 3.11Å; H594-Q597 WeakPolarHBondContact O-CB 3.34Å; H594-Q597 PolarHBondContact O-N 3.21Å; H594-M598 PolarHBondContact CE1-SD 2.93Å; H594-M598 PolarHBondContact O-N 2.79Å; H594-M598 VanDerWaalsContact O-N 3.1Å
595	Y	87.3	Confident	82.7	Confident	32 Å²	32	55.3 Å²	55.3	13%	0.125	26%	0.256	C	S	.	.	H	α-helix	trans	-68.2	-42.7	-179.3	-56	-71.6	0	0	0	111.3	C592 Q597 M598 V599 R759 T1499 F1501	C592-Y595 PolarHBondContact O-N 2.91Å; Y595-Q597 PolarHBondContact O-N 2.87Å; Y595-M598 WeakPolarHBondContact O-CB 3.17Å; Y595-M598 PolarHBondContact O-N 3.01Å; Y595-V599 WeakPolarHBondContact O-CG2 3.39Å; Y595-V599 PolarHBondContact O-N 2.8Å; Y595-R759 VanDerWaalsContact CE2-CZ 3.41Å; Y595-R759 PolarHBondContact OH-NH2 2.62Å; Y595-T1499 HydrophobicContact CE1-CG2 4.24Å; Y595-F1501 HydrophobicContact CD1-CB 4.13Å; Y595-F1501 HydrophobicContact CD1-CD1 4.16Å; Y595-F1501 AromaticContact CD1-CD2 3.21Å; Y595-F1501 HydrophobicContact CD1-CD2 3.21Å; Y595-F1501 HydrophobicContact CD1-CE1 4.36Å; Y595-F1501 AromaticContact CD1-CE2 3.46Å; Y595-F1501 HydrophobicContact CD1-CE2 3.46Å; Y595-F1501 VanDerWaalsContact CD1-CE2 3.46Å; Y595-F1501 AromaticContact CD1-CG 3.57Å; Y595-F1501 HydrophobicContact CD1-CG 3.57Å; Y595-F1501 HydrophobicContact CD1-CZ 4.03Å; Y595-F1501 HydrophobicContact CE1-CB 4.12Å; Y595-F1501 AromaticContact CE1-CD2 3.62Å; Y595-F1501 HydrophobicContact CE1-CD2 3.62Å; Y595-F1501 HydrophobicContact CE1-CE2 4.23Å; Y595-F1501 HydrophobicContact CE1-CG 4.01Å; Y595-F1501 HydrophobicContact CG-CD2 4.2Å; Y595-F1501 HydrophobicContact CG-CE2 4.01Å; Y595-F1501 HydrophobicContact CG-CZ 4.39Å
596	Q	89.1	Confident	83.5	Confident	15 Å²	15	54.9 Å²	54.9	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-57.8	-35.8	172.8	-61.7	179.5	-64.1	0	0	111.9	C592 R593 V599 K600 I756	C592-Q596 PolarHBondContact O-N 3.24Å; C592-Q596 PolarHBondContact SG-OE1 3.39Å; R593-Q596 PolarHBondContact O-N 3.3Å; Q596-V599 PolarHBondContact O-N 2.84Å; Q596-K600 VanDerWaalsContact O-CB 3.26Å; Q596-K600 WeakPolarHBondContact O-CB 3.22Å; Q596-K600 VanDerWaalsContact O-CD 3.3Å; Q596-K600 WeakPolarHBondContact O-CD 3.07Å; Q596-K600 WeakPolarHBondContact O-CG 3.39Å; Q596-K600 PolarHBondContact O-N 2.98Å; Q596-I756 HydrophobicContact CG-CD1 4.3Å; Q596-I756 HydrophobicContact CG-CG2 4.21Å
597	Q	89.7	Confident	84.4	Confident	67 Å²	67	54.9 Å²	54.9	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-73.7	-22	174.2	-74	176.3	-5.6	0	0	114.6	R593 H594 Y595 R601 I1416	R593-Q597 WeakPolarHBondContact O-CG 3.46Å; R593-Q597 PolarHBondContact O-N 2.9Å; H594-Q597 WeakPolarHBondContact O-CB 3.34Å; H594-Q597 PolarHBondContact O-N 3.21Å; Y595-Q597 PolarHBondContact O-N 2.87Å; Q597-R601 PolarHBondContact O-NE 3.23Å; Q597-I1416 HydrophobicContact CG-CD1 4.05Å
598	M	91.1	Very high	85.6	Confident	46 Å²	46	57 Å²	57	23%	0.227	27%	0.269	C	S	.	.	H	α-helix	trans	-74.9	-46.7	168.9	-64.7	-179.6	74.4	0	0	110.3	H594 Y595 R601 R602 F1501	H594-M598 PolarHBondContact CE1-SD 2.93Å; H594-M598 PolarHBondContact O-N 2.79Å; H594-M598 VanDerWaalsContact O-N 3.1Å; Y595-M598 WeakPolarHBondContact O-CB 3.17Å; Y595-M598 PolarHBondContact O-N 3.01Å; M598-R601 WeakPolarHBondContact O-CB 3.45Å; M598-R601 PolarHBondContact O-N 3.29Å; M598-R601 VanDerWaalsContact O-N 3.16Å; M598-R602 PolarHBondContact O-N 2.9Å; M598-F1501 HydrophobicContact CB-CD1 4.14Å; M598-F1501 HydrophobicContact CB-CE1 4.22Å; M598-F1501 HydrophobicContact CE-CB 3.9Å; M598-F1501 HydrophobicContact CE-CD1 3.88Å; M598-F1501 HydrophobicContact CE-CG 4.37Å; M598-F1501 HydrophobicContact SD-CB 3.88Å; M598-F1501 HydrophobicContact SD-CD1 3.7Å; M598-F1501 HydrophobicContact SD-CG 4.08Å
599	V	93.2	Very high	86.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-43.1	-179.1	-177.4	0	0	0	0	111.5	Y595 Q596 R601 R602 I603 Q744 I748 I756 F1501	Y595-V599 WeakPolarHBondContact O-CG2 3.39Å; Y595-V599 PolarHBondContact O-N 2.8Å; Q596-V599 PolarHBondContact O-N 2.84Å; V599-R601 PolarHBondContact O-N 3.23Å; V599-R601 VanDerWaalsContact O-N 3.16Å; V599-R602 PolarHBondContact O-N 2.85Å; V599-R602 VanDerWaalsContact O-N 3.14Å; V599-I603 HydrophobicContact CG1-CD1 4.14Å; V599-I603 HydrophobicContact CG1-CG1 4.46Å; V599-I603 WeakPolarHBondContact O-CG1 3.44Å; V599-I603 PolarHBondContact O-N 3.38Å; V599-Q744 WeakPolarHBondContact CG1-O 3.38Å; V599-I748 HydrophobicContact CG1-CD1 3.85Å; V599-I748 HydrophobicContact CG1-CG1 3.77Å; V599-I756 HydrophobicContact CG2-CD1 4.14Å; V599-F1501 HydrophobicContact CG2-CE1 3.86Å; V599-F1501 HydrophobicContact CG2-CZ 4.06Å
600	K	93	Very high	88.1	Confident	33 Å²	33	61.8 Å²	61.8	14%	0.143	29%	0.291	C	S	.	.	H	α-helix	trans	-57.4	-26.7	173	-75.7	162.9	-177.8	-85.5	0	114	Q596 N604 E745 I1416	Q596-K600 VanDerWaalsContact O-CB 3.26Å; Q596-K600 WeakPolarHBondContact O-CB 3.22Å; Q596-K600 VanDerWaalsContact O-CD 3.3Å; Q596-K600 WeakPolarHBondContact O-CD 3.07Å; Q596-K600 WeakPolarHBondContact O-CG 3.39Å; Q596-K600 PolarHBondContact O-N 2.98Å; K600-N604 WeakPolarHBondContact O-CB 3.38Å; K600-N604 PolarHBondContact O-N 2.94Å; K600-E745 WeakPolarHBondContact CE-OE2 3.46Å; K600-E745 HydrophobicContact CG-CG 4.48Å; K600-E745 IonicContact NZ-OE1 3.89Å; K600-E745 PolarHBondContact NZ-OE1 3.1Å; K600-E745 IonicContact NZ-OE2 3.43Å; K600-E745 PolarHBondContact NZ-OE2 3.23Å; K600-I1416 HydrophobicContact CD-CG1 4.48Å
601	R	93.1	Very high	89.5	Confident	123 Å²	123	60.1 Å²	60.1	46%	0.464	29%	0.286	S	S	.	.	H	α-helix	trans	-72.9	-49.7	173.5	-81.8	-176.5	-77	162.4	-5.4	111.2	Q597 M598 V599 I603 N604 E605	Q597-R601 PolarHBondContact O-NE 3.23Å; M598-R601 WeakPolarHBondContact O-CB 3.45Å; M598-R601 PolarHBondContact O-N 3.29Å; M598-R601 VanDerWaalsContact O-N 3.16Å; V599-R601 PolarHBondContact O-N 3.23Å; V599-R601 VanDerWaalsContact O-N 3.16Å; R601-I603 VanDerWaalsContact C-N 3.3Å; R601-I603 PolarHBondContact O-N 3.43Å; R601-N604 WeakPolarHBondContact O-CA 3.34Å; R601-N604 WeakPolarHBondContact O-CB 3.39Å; R601-N604 PolarHBondContact O-N 3.38Å; R601-E605 VanDerWaalsContact O-CG 3.31Å; R601-E605 WeakPolarHBondContact O-CG 3.42Å; R601-E605 PolarHBondContact O-N 3.23Å
602	R	92.9	Very high	90.7	Very high	119 Å²	119	59 Å²	59	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-54.8	-42.1	173	-73	177.9	163.8	171.1	-10	113.1	M598 V599 N604 E605 V606 I748 E752	M598-R602 PolarHBondContact O-N 2.9Å; V599-R602 PolarHBondContact O-N 2.85Å; V599-R602 VanDerWaalsContact O-N 3.14Å; R602-N604 VanDerWaalsContact C-N 3.34Å; R602-N604 PolarHBondContact O-N 3.39Å; R602-E605 WeakPolarHBondContact CA-OE2 3.42Å; R602-E605 PolarHBondContact O-N 2.78Å; R602-V606 PolarHBondContact O-N 2.71Å; R602-I748 HydrophobicContact CB-CD1 3.94Å; R602-E752 IonicContact CZ-OE1 3.79Å; R602-E752 IonicContact NH1-OE1 3.43Å; R602-E752 PolarHBondContact NH1-OE1 2.9Å
603	I	94.4	Very high	91.4	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-46	174.3	-63.8	167.9	0	0	0	110.5	V599 R601 V606 M607 L621 I741 Q744 I748	V599-I603 HydrophobicContact CG1-CD1 4.14Å; V599-I603 HydrophobicContact CG1-CG1 4.46Å; V599-I603 WeakPolarHBondContact O-CG1 3.44Å; V599-I603 PolarHBondContact O-N 3.38Å; R601-I603 VanDerWaalsContact C-N 3.3Å; R601-I603 PolarHBondContact O-N 3.43Å; I603-V606 PolarHBondContact O-N 3.24Å; I603-M607 HydrophobicContact CG2-CG 3.87Å; I603-M607 WeakPolarHBondContact O-CB 3.22Å; I603-M607 WeakPolarHBondContact O-CG 3.32Å; I603-M607 PolarHBondContact O-N 2.99Å; I603-L621 HydrophobicContact CG1-CD2 4.45Å; I603-I741 HydrophobicContact CG2-CG1 4.17Å; I603-I741 HydrophobicContact CG2-CG2 4.49Å; I603-Q744 HydrophobicContact CD1-CB 3.63Å; I603-Q744 HydrophobicContact CG1-CB 4.18Å; I603-I748 HydrophobicContact CG1-CD1 4.12Å
604	N	93.5	Very high	92	Very high	75 Å²	75	59.5 Å²	59.5	40%	0.401	29%	0.29	S	S	.	.	H	α-helix	trans	-67.4	-40.4	-179.3	-165.7	-0.6	0	0	0	112.5	K600 R601 R602 V606 M607 S608 L701	K600-N604 WeakPolarHBondContact O-CB 3.38Å; K600-N604 PolarHBondContact O-N 2.94Å; R601-N604 WeakPolarHBondContact O-CA 3.34Å; R601-N604 WeakPolarHBondContact O-CB 3.39Å; R601-N604 PolarHBondContact O-N 3.38Å; R602-N604 VanDerWaalsContact C-N 3.34Å; R602-N604 PolarHBondContact O-N 3.39Å; N604-V606 PolarHBondContact O-N 3.16Å; N604-M607 PolarHBondContact O-N 2.98Å; N604-S608 VanDerWaalsContact O-CB 3.3Å; N604-S608 WeakPolarHBondContact O-CB 3.48Å; N604-S608 PolarHBondContact O-N 3.3Å; N604-S608 PolarHBondContact O-OG 3.27Å; N604-S608 PolarHBondContact OD1-OG 3.01Å; N604-L701 HydrophobicContact CB-CD1 4.18Å; N604-L701 WeakPolarHBondContact OD1-CD1 3.33Å
605	E	92.7	Very high	92.4	Very high	124 Å²	124	58.1 Å²	58.1	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-57.2	-30.4	176.4	-72.1	153.2	-157.3	0	0	113.1	R601 R602	R601-E605 VanDerWaalsContact O-CG 3.31Å; R601-E605 WeakPolarHBondContact O-CG 3.42Å; R601-E605 PolarHBondContact O-N 3.23Å; R602-E605 WeakPolarHBondContact CA-OE2 3.42Å; R602-E605 PolarHBondContact O-N 2.78Å
606	V	93.8	Very high	92.7	Very high	10 Å²	10	63.8 Å²	63.8	6%	0.061	33%	0.326	C	S	.	.	H	α-helix	trans	-92.1	-48.1	173.9	-179.6	0	0	0	0	112	R602 I603 N604 S608 K609 F613 D617 T620 L621	R602-V606 PolarHBondContact O-N 2.71Å; I603-V606 PolarHBondContact O-N 3.24Å; N604-V606 PolarHBondContact O-N 3.16Å; V606-S608 VanDerWaalsContact C-N 3.28Å; V606-S608 PolarHBondContact O-N 2.98Å; V606-K609 WeakPolarHBondContact O-CB 3.31Å; V606-K609 WeakPolarHBondContact O-CG 3.37Å; V606-K609 PolarHBondContact O-N 2.84Å; V606-F613 HydrophobicContact CG1-CE1 4.35Å; V606-D617 HydrophobicContact CG1-CB 3.86Å; V606-D617 WeakPolarHBondContact CG1-OD1 3.42Å; V606-T620 HydrophobicContact CG2-CG2 4.17Å; V606-L621 HydrophobicContact CB-CD1 3.99Å; V606-L621 HydrophobicContact CB-CD2 4.15Å; V606-L621 HydrophobicContact CB-CG 4.09Å; V606-L621 HydrophobicContact CG1-CD1 3.57Å; V606-L621 HydrophobicContact CG1-CG 3.92Å; V606-L621 HydrophobicContact CG2-CD2 4.19Å; V606-L621 HydrophobicContact CG2-CG 4.23Å
607	M	94.2	Very high	92.9	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-70.9	-17.7	-173.3	-68.6	-66	-69.4	0	0	114.2	I603 N604 F613 L621 P639 L701 L737 I740 I741	I603-M607 HydrophobicContact CG2-CG 3.87Å; I603-M607 WeakPolarHBondContact O-CB 3.22Å; I603-M607 WeakPolarHBondContact O-CG 3.32Å; I603-M607 PolarHBondContact O-N 2.99Å; N604-M607 PolarHBondContact O-N 2.98Å; M607-F613 HydrophobicContact CE-CZ 4.39Å; M607-F613 HydrophobicContact SD-CE1 3.92Å; M607-F613 HydrophobicContact SD-CZ 3.66Å; M607-L621 HydrophobicContact CG-CD1 4.47Å; M607-L621 HydrophobicContact SD-CD1 4.19Å; M607-P639 HydrophobicContact CE-CB 3.81Å; M607-P639 VanDerWaalsContact O-CB 3.27Å; M607-P639 WeakPolarHBondContact O-CB 3.47Å; M607-P639 WeakPolarHBondContact O-CG 3Å; M607-P639 HydrophobicContact SD-CB 4.07Å; M607-L701 HydrophobicContact CB-CD1 3.53Å; M607-L701 HydrophobicContact CB-CD2 4.47Å; M607-L737 HydrophobicContact CE-CD2 3.86Å; M607-I740 HydrophobicContact CE-CD1 4.33Å; M607-I740 HydrophobicContact CE-CG2 4.25Å; M607-I740 HydrophobicContact SD-CG2 3.89Å; M607-I741 HydrophobicContact CE-CD1 4.22Å; M607-I741 HydrophobicContact CE-CG1 4.21Å
608	S	91.5	Very high	93.1	Very high	53 Å²	53	62.3 Å²	62.3	37%	0.371	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.8	175.2	-69.4	0	0	0	0	114.1	N604 V606 N610	N604-S608 VanDerWaalsContact O-CB 3.3Å; N604-S608 WeakPolarHBondContact O-CB 3.48Å; N604-S608 PolarHBondContact O-N 3.3Å; N604-S608 PolarHBondContact O-OG 3.27Å; N604-S608 PolarHBondContact OD1-OG 3.01Å; V606-S608 VanDerWaalsContact C-N 3.28Å; V606-S608 PolarHBondContact O-N 2.98Å; S608-N610 PolarHBondContact O-N 3.03Å
609	K	90.1	Very high	93.2	Very high	90 Å²	90	63 Å²	63	39%	0.391	33%	0.333	S	S	.	.			trans	-65.2	127.5	174.6	-67.4	179	178.5	-178.1	0	111.1	V606 S611 D617	V606-K609 WeakPolarHBondContact O-CB 3.31Å; V606-K609 WeakPolarHBondContact O-CG 3.37Å; V606-K609 PolarHBondContact O-N 2.84Å; K609-S611 PolarHBondContact O-N 2.94Å; K609-D617 IonicContact NZ-OD1 2.68Å; K609-D617 PolarHBondContact NZ-OD1 3.41Å
610	N	91.6	Very high	93.2	Very high	111 Å²	111	66.3 Å²	66.3	59%	0.594	35%	0.353	S	S	*	.	S	Bend	trans	-84.2	60.1	171.7	-171.4	21.2	0	0	0	111.4	S608 Y640	S608-N610 PolarHBondContact O-N 3.03Å; N610-Y640 HydrophobicContact CB-CD1 4.17Å; N610-Y640 HydrophobicContact CB-CD2 4.26Å; N610-Y640 HydrophobicContact CB-CG 3.93Å; N610-Y640 WeakPolarHBondContact OD1-CD1 3.39Å
611	S	93.1	Very high	93.3	Very high	47 Å²	47	64.9 Å²	64.9	33%	0.329	35%	0.347	S	S	.	.	S	Bend	trans	-142.5	175.5	177.3	63.2	0	0	0	0	109.7	K609 S638	K609-S611 PolarHBondContact O-N 2.94Å; S611-S638 WeakPolarHBondContact O-CA 3.42Å; S611-S638 VanDerWaalsContact O-CB 3.23Å; S611-S638 WeakPolarHBondContact O-CB 3.17Å; S611-S638 PolarHBondContact O-OG 3.16Å
612	D	93.9	Very high	93.3	Very high	86 Å²	86	59.3 Å²	59.3	46%	0.46	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-82.2	154.2	164.6	-58	-4.1	0	0	0	108	T614 S637 S638 K641	D612-T614 PolarHBondContact O-N 2.8Å; D612-S637 CarbonylContact C-O 3.55Å; D612-S637 VanDerWaalsContact CA-O 3.32Å; D612-S637 WeakPolarHBondContact CA-O 3.35Å; D612-S638 VanDerWaalsContact OD1-CB 3.29Å; D612-S638 WeakPolarHBondContact OD1-CB 3.05Å; D612-K641 IonicContact OD1-NZ 2.72Å; D612-K641 PolarHBondContact OD1-NZ 3.42Å; D612-K641 IonicContact OD2-NZ 3.48Å
613	F	94.6	Very high	93.4	Very high	29 Å²	29	57.1 Å²	57.1	13%	0.127	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-66.1	126.3	-179	-71	-59.2	0	0	0	111.1	V606 M607 D617 I618 M633 V636 S637 P639 I740	V606-F613 HydrophobicContact CG1-CE1 4.35Å; M607-F613 HydrophobicContact CE-CZ 4.39Å; M607-F613 HydrophobicContact SD-CE1 3.92Å; M607-F613 HydrophobicContact SD-CZ 3.66Å; F613-D617 HydrophobicContact CD1-CB 4.11Å; F613-I618 HydrophobicContact CB-CG1 4.42Å; F613-M633 HydrophobicContact CB-CE 4.33Å; F613-M633 HydrophobicContact CD1-CE 3.54Å; F613-M633 HydrophobicContact CD2-CB 4.04Å; F613-M633 HydrophobicContact CD2-CE 3.96Å; F613-M633 WeakPolarHBondContact CD2-O 3.48Å; F613-M633 HydrophobicContact CE1-CE 3.63Å; F613-M633 HydrophobicContact CE2-CB 3.99Å; F613-M633 HydrophobicContact CE2-CE 4.04Å; F613-M633 HydrophobicContact CE2-CG 4.12Å; F613-M633 HydrophobicContact CG-CE 3.71Å; F613-M633 HydrophobicContact CZ-CE 3.88Å; F613-M633 HydrophobicContact CZ-CG 4.41Å; F613-V636 HydrophobicContact CE2-CB 4.08Å; F613-V636 HydrophobicContact CE2-CG1 3.64Å; F613-V636 HydrophobicContact CZ-CG1 4.17Å; F613-S637 WeakPolarHBondContact CD2-O 3.39Å; F613-S637 PolarHBondContact N-O 3.17Å; F613-P639 HydrophobicContact CD1-CG 4.41Å; F613-P639 HydrophobicContact CE1-CB 4.21Å; F613-P639 HydrophobicContact CE1-CG 3.69Å; F613-P639 HydrophobicContact CZ-CB 3.84Å; F613-P639 HydrophobicContact CZ-CG 3.81Å; F613-I740 HydrophobicContact CE2-CD1 4.44Å; F613-I740 HydrophobicContact CZ-CD1 4.46Å
614	T	94.5	Very high	93.2	Very high	69 Å²	69	58.4 Å²	58.4	42%	0.423	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-80.9	165.5	170.2	67.8	0	0	0	0	111.4	D612 E616 D617 I618	D612-T614 PolarHBondContact O-N 2.8Å; T614-E616 PolarHBondContact O-N 3.33Å; T614-E616 PolarHBondContact OG1-N 3.36Å; T614-D617 WeakPolarHBondContact CB-OD2 3.48Å; T614-D617 PolarHBondContact N-OD2 3.04Å; T614-D617 PolarHBondContact O-N 2.87Å; T614-D617 VanDerWaalsContact OG1-CG 3.24Å; T614-D617 PolarHBondContact OG1-N 3.3Å; T614-D617 PolarHBondContact OG1-OD2 3.17Å; T614-I618 WeakPolarHBondContact O-CG1 3.31Å; T614-I618 PolarHBondContact O-N 2.86Å; T614-I618 VanDerWaalsContact O-N 3.11Å
615	A	93	Very high	93.1	Very high	84 Å²	84	57 Å²	57	69%	0.694	34%	0.339	S	S	*	.	H	α-helix	trans	-59.7	-31	170.2	0	0	0	0	0	112.3	I618 A619	A615-I618 PolarHBondContact O-N 3.13Å; A615-A619 WeakPolarHBondContact O-CB 3.3Å; A615-A619 PolarHBondContact O-N 2.92Å
616	E	93.7	Very high	93	Very high	150 Å²	150	51.4 Å²	51.4	70%	0.701	31%	0.314	S	S	*	.	H	α-helix	trans	-70.6	-37.7	175.2	-171.7	176.5	-166.4	0	0	111.9	T614 A619 T620	T614-E616 PolarHBondContact O-N 3.33Å; T614-E616 PolarHBondContact OG1-N 3.36Å; E616-A619 PolarHBondContact O-N 3.31Å; E616-T620 WeakPolarHBondContact O-CB 3.25Å; E616-T620 PolarHBondContact O-N 3.49Å; E616-T620 PolarHBondContact O-OG1 2.99Å
617	D	94.3	Very high	92.9	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.027	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-41.4	172.8	-64.8	-60.5	0	0	0	111.7	V606 K609 F613 T614 T620 L621	V606-D617 HydrophobicContact CG1-CB 3.86Å; V606-D617 WeakPolarHBondContact CG1-OD1 3.42Å; K609-D617 IonicContact NZ-OD1 2.68Å; K609-D617 PolarHBondContact NZ-OD1 3.41Å; F613-D617 HydrophobicContact CD1-CB 4.11Å; T614-D617 WeakPolarHBondContact CB-OD2 3.48Å; T614-D617 PolarHBondContact N-OD2 3.04Å; T614-D617 PolarHBondContact O-N 2.87Å; T614-D617 VanDerWaalsContact OG1-CG 3.24Å; T614-D617 PolarHBondContact OG1-N 3.3Å; T614-D617 PolarHBondContact OG1-OD2 3.17Å; D617-T620 PolarHBondContact O-N 3.13Å; D617-L621 PolarHBondContact O-N 2.91Å
618	I	93.5	Very high	92.8	Very high	47 Å²	47	58.9 Å²	58.9	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-65.5	-44.3	176	-64	167.5	0	0	0	110.4	F613 T614 A615 T620 V622 I630 M633	F613-I618 HydrophobicContact CB-CG1 4.42Å; T614-I618 WeakPolarHBondContact O-CG1 3.31Å; T614-I618 PolarHBondContact O-N 2.86Å; T614-I618 VanDerWaalsContact O-N 3.11Å; A615-I618 PolarHBondContact O-N 3.13Å; I618-T620 VanDerWaalsContact C-N 3.33Å; I618-T620 PolarHBondContact O-N 3.01Å; I618-V622 WeakPolarHBondContact O-CA 3.48Å; I618-V622 WeakPolarHBondContact O-CB 3.28Å; I618-V622 PolarHBondContact O-N 3.22Å; I618-I630 HydrophobicContact CG2-CG1 4.37Å; I618-M633 HydrophobicContact CB-CE 4.35Å; I618-M633 HydrophobicContact CG1-CE 3.69Å; I618-M633 HydrophobicContact CG1-SD 4.18Å
619	A	93.1	Very high	93	Very high	59 Å²	59	56.7 Å²	56.7	49%	0.488	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-36	175.5	0	0	0	0	0	112.6	A615 E616 P623	A615-A619 WeakPolarHBondContact O-CB 3.3Å; A615-A619 PolarHBondContact O-N 2.92Å; E616-A619 PolarHBondContact O-N 3.31Å; A619-P623 WeakPolarHBondContact O-CD 3.21Å
620	T	93.6	Very high	93.2	Very high	71 Å²	71	54.4 Å²	54.4	44%	0.436	32%	0.319	S	S	.	.	H	α-helix	trans	-70	-44.2	179.3	-63	0	0	0	0	112	V606 E616 D617 I618 I748	V606-T620 HydrophobicContact CG2-CG2 4.17Å; E616-T620 WeakPolarHBondContact O-CB 3.25Å; E616-T620 PolarHBondContact O-N 3.49Å; E616-T620 PolarHBondContact O-OG1 2.99Å; D617-T620 PolarHBondContact O-N 3.13Å; I618-T620 VanDerWaalsContact C-N 3.33Å; I618-T620 PolarHBondContact O-N 3.01Å; T620-I748 VanDerWaalsContact O-CG2 3.24Å; T620-I748 WeakPolarHBondContact O-CG2 3.47Å
621	L	93.7	Very high	93.3	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-82.1	-33.4	178.3	-71.1	-179.7	0	0	0	113	I603 V606 M607 D617 P623 M633 I740 Q744 I748	I603-L621 HydrophobicContact CG1-CD2 4.45Å; V606-L621 HydrophobicContact CB-CD1 3.99Å; V606-L621 HydrophobicContact CB-CD2 4.15Å; V606-L621 HydrophobicContact CB-CG 4.09Å; V606-L621 HydrophobicContact CG1-CD1 3.57Å; V606-L621 HydrophobicContact CG1-CG 3.92Å; V606-L621 HydrophobicContact CG2-CD2 4.19Å; V606-L621 HydrophobicContact CG2-CG 4.23Å; M607-L621 HydrophobicContact CG-CD1 4.47Å; M607-L621 HydrophobicContact SD-CD1 4.19Å; D617-L621 PolarHBondContact O-N 2.91Å; L621-P623 WeakPolarHBondContact O-CD 3.46Å; L621-M633 HydrophobicContact CB-SD 4.37Å; L621-M633 HydrophobicContact CD1-CE 3.89Å; L621-M633 HydrophobicContact CD1-SD 4.39Å; L621-I740 HydrophobicContact CD1-CG2 4.48Å; L621-Q744 PolarHBondContact O-NE2 2.96Å; L621-I748 HydrophobicContact CD2-CD1 4.21Å
622	V	94.4	Very high	93.3	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.042	30%	0.298	C	S	.	.			trans	-123.8	51.3	-172.2	-152.7	0	0	0	0	113.1	I618 T624 G625 A626 I629 I630 M633	I618-V622 WeakPolarHBondContact O-CA 3.48Å; I618-V622 WeakPolarHBondContact O-CB 3.28Å; I618-V622 PolarHBondContact O-N 3.22Å; V622-T624 PolarHBondContact O-N 3.12Å; V622-G625 PolarHBondContact O-N 3.26Å; V622-A626 HydrophobicContact CG1-CB 3.82Å; V622-I629 HydrophobicContact CG1-CB 4.2Å; V622-I629 HydrophobicContact CG1-CG2 4.4Å; V622-I629 HydrophobicContact CG2-CB 4.24Å; V622-I629 HydrophobicContact CG2-CG2 3.6Å; V622-I630 HydrophobicContact CB-CG1 4.44Å; V622-I630 HydrophobicContact CG1-CG1 4.18Å; V622-M633 HydrophobicContact CG2-SD 3.6Å; V622-M633 VanDerWaalsContact CG2-SD 3.6Å
623	P	93.7	Very high	93.4	Very high	73 Å²	73	47.1 Å²	47.1	47%	0.474	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.8	177	30.8	-36.8	0	0	0	113.1	A619 L621 I748 T749	A619-P623 WeakPolarHBondContact O-CD 3.21Å; L621-P623 WeakPolarHBondContact O-CD 3.46Å; P623-I748 HydrophobicContact CG-CG2 3.78Å; P623-T749 HydrophobicContact CG-CG2 4.4Å
624	T	91	Very high	93.4	Very high	33 Å²	33	51.3 Å²	51.3	20%	0.202	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.4	174.6	48.3	0	0	0	0	113.9	V622 A626 K753	V622-T624 PolarHBondContact O-N 3.12Å; T624-A626 VanDerWaalsContact C-N 3.26Å; T624-A626 PolarHBondContact O-N 3.29Å; T624-K753 HydrophobicContact CG2-CD 4.46Å
625	G	91	Very high	93.4	Very high	44 Å²	44	52.6 Å²	52.6	45%	0.454	30%	0.295	S	S	.	.			trans	65.3	23.2	176.8	0	0	0	0	0	115	V622 R627	V622-G625 PolarHBondContact O-N 3.26Å; G625-R627 PolarHBondContact O-N 3.37Å
626	A	91.5	Very high	93.5	Very high	7 Å²	7	48.9 Å²	48.9	6%	0.058	26%	0.263	C	S	.	.			trans	-64.2	105.8	-176.1	0	0	0	0	0	111.9	V622 T624 S628 I629 I630	V622-A626 HydrophobicContact CG1-CB 3.82Å; T624-A626 VanDerWaalsContact C-N 3.26Å; T624-A626 PolarHBondContact O-N 3.29Å; A626-S628 VanDerWaalsContact C-N 3.35Å; A626-S628 PolarHBondContact O-N 3.46Å; A626-I629 HydrophobicContact CB-CB 4.28Å; A626-I629 HydrophobicContact CB-CD1 3.87Å; A626-I629 HydrophobicContact CB-CG1 3.97Å; A626-I629 PolarHBondContact O-N 3.21Å; A626-I629 VanDerWaalsContact O-N 3.08Å; A626-I630 WeakPolarHBondContact O-CG1 3.32Å; A626-I630 PolarHBondContact O-N 3.37Å
627	R	91.6	Very high	93.6	Very high	154 Å²	154	44.9 Å²	44.9	58%	0.581	25%	0.252	S	S	*	.	H	α-helix	trans	-60.7	-39.6	-169.7	-166.7	174.6	-177	-172.1	-2.2	112.8	G625 I629 I630 N631 S851	G625-R627 PolarHBondContact O-N 3.37Å; R627-I629 VanDerWaalsContact C-N 3.33Å; R627-I629 PolarHBondContact O-N 3.38Å; R627-I630 PolarHBondContact O-N 3.4Å; R627-N631 PolarHBondContact O-N 2.89Å; R627-N631 PolarHBondContact O-OD1 2.71Å; R627-N631 VanDerWaalsContact O-OD1 3.11Å; R627-S851 PolarHBondContact N-O 3.09Å
628	S	92.4	Very high	93.6	Very high	15 Å²	15	44.8 Å²	44.8	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-39.1	175.6	54.5	0	0	0	0	113.4	A626 A632 S851 I853	A626-S628 VanDerWaalsContact C-N 3.35Å; A626-S628 PolarHBondContact O-N 3.46Å; S628-A632 WeakPolarHBondContact O-CB 3.49Å; S628-A632 PolarHBondContact O-N 2.83Å; S628-S851 PolarHBondContact N-O 2.81Å; S628-S851 PolarHBondContact OG-O 2.89Å; S628-I853 WeakPolarHBondContact CB-O 3.41Å; S628-I853 PolarHBondContact OG-O 2.95Å
629	I	94.4	Very high	93.6	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-39.7	178.4	-53	-176.9	0	0	0	110.5	V622 A626 R627 A632 M633 I740 P743 Q744	V622-I629 HydrophobicContact CG1-CB 4.2Å; V622-I629 HydrophobicContact CG1-CG2 4.4Å; V622-I629 HydrophobicContact CG2-CB 4.24Å; V622-I629 HydrophobicContact CG2-CG2 3.6Å; A626-I629 HydrophobicContact CB-CB 4.28Å; A626-I629 HydrophobicContact CB-CD1 3.87Å; A626-I629 HydrophobicContact CB-CG1 3.97Å; A626-I629 PolarHBondContact O-N 3.21Å; A626-I629 VanDerWaalsContact O-N 3.08Å; R627-I629 VanDerWaalsContact C-N 3.33Å; R627-I629 PolarHBondContact O-N 3.38Å; I629-A632 PolarHBondContact O-N 2.68Å; I629-M633 WeakPolarHBondContact O-CG 3.46Å; I629-M633 PolarHBondContact O-N 2.91Å; I629-I740 HydrophobicContact CG2-CG1 4.46Å; I629-I740 HydrophobicContact CG2-CG2 4.47Å; I629-P743 HydrophobicContact CD1-CB 4.05Å; I629-Q744 HydrophobicContact CD1-CG 4.23Å
630	I	94.7	Very high	93.7	Very high	43 Å²	43	43 Å²	43	22%	0.221	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-46.7	175.1	-65.8	166.5	0	0	0	110.5	I618 V622 A626 R627 A632 M633 Q634	I618-I630 HydrophobicContact CG2-CG1 4.37Å; V622-I630 HydrophobicContact CB-CG1 4.44Å; V622-I630 HydrophobicContact CG1-CG1 4.18Å; A626-I630 WeakPolarHBondContact O-CG1 3.32Å; A626-I630 PolarHBondContact O-N 3.37Å; R627-I630 PolarHBondContact O-N 3.4Å; I630-A632 VanDerWaalsContact C-N 3.31Å; I630-A632 PolarHBondContact O-N 2.67Å; I630-M633 PolarHBondContact O-N 3.27Å; I630-Q634 WeakPolarHBondContact O-CG 3.27Å; I630-Q634 PolarHBondContact O-N 2.95Å
631	N	93.4	Very high	93.8	Very high	83 Å²	83	45.2 Å²	45.2	44%	0.444	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-42	175.8	-67.3	5.9	0	0	0	111.6	R627 Q634 Y635	R627-N631 PolarHBondContact O-N 2.89Å; R627-N631 PolarHBondContact O-OD1 2.71Å; R627-N631 VanDerWaalsContact O-OD1 3.11Å; N631-Q634 PolarHBondContact O-N 3.16Å; N631-Y635 PolarHBondContact O-N 3.08Å
632	A	94.5	Very high	93.9	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-40.8	177.1	0	0	0	0	0	112.5	S628 I629 I630 Y635 V636 D739 I740	S628-A632 WeakPolarHBondContact O-CB 3.49Å; S628-A632 PolarHBondContact O-N 2.83Å; I629-A632 PolarHBondContact O-N 2.68Å; I630-A632 VanDerWaalsContact C-N 3.31Å; I630-A632 PolarHBondContact O-N 2.67Å; A632-Y635 PolarHBondContact O-N 2.91Å; A632-V636 WeakPolarHBondContact O-CB 3.42Å; A632-V636 WeakPolarHBondContact O-CG2 3.3Å; A632-V636 PolarHBondContact O-N 3.27Å; A632-D739 HydrophobicContact CB-CB 3.91Å; A632-I740 HydrophobicContact CB-CD1 4.36Å; A632-I740 HydrophobicContact CB-CG1 3.8Å
633	M	95.6	Very high	94	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-41.1	173.7	-71.7	-175	75.4	0	0	111.8	F613 I618 L621 V622 I629 I630 V636 S637 I740	F613-M633 HydrophobicContact CB-CE 4.33Å; F613-M633 HydrophobicContact CD1-CE 3.54Å; F613-M633 HydrophobicContact CD2-CB 4.04Å; F613-M633 HydrophobicContact CD2-CE 3.96Å; F613-M633 WeakPolarHBondContact CD2-O 3.48Å; F613-M633 HydrophobicContact CE1-CE 3.63Å; F613-M633 HydrophobicContact CE2-CB 3.99Å; F613-M633 HydrophobicContact CE2-CE 4.04Å; F613-M633 HydrophobicContact CE2-CG 4.12Å; F613-M633 HydrophobicContact CG-CE 3.71Å; F613-M633 HydrophobicContact CZ-CE 3.88Å; F613-M633 HydrophobicContact CZ-CG 4.41Å; I618-M633 HydrophobicContact CB-CE 4.35Å; I618-M633 HydrophobicContact CG1-CE 3.69Å; I618-M633 HydrophobicContact CG1-SD 4.18Å; L621-M633 HydrophobicContact CB-SD 4.37Å; L621-M633 HydrophobicContact CD1-CE 3.89Å; L621-M633 HydrophobicContact CD1-SD 4.39Å; V622-M633 HydrophobicContact CG2-SD 3.6Å; V622-M633 VanDerWaalsContact CG2-SD 3.6Å; I629-M633 WeakPolarHBondContact O-CG 3.46Å; I629-M633 PolarHBondContact O-N 2.91Å; I630-M633 PolarHBondContact O-N 3.27Å; M633-V636 PolarHBondContact O-N 3.37Å; M633-S637 PolarHBondContact O-N 3.09Å; M633-I740 HydrophobicContact CB-CD1 4.42Å; M633-I740 HydrophobicContact CG-CD1 3.77Å; M633-I740 HydrophobicContact CG-CG1 3.85Å; M633-I740 HydrophobicContact CG-CG2 4.31Å
634	Q	94.5	Very high	94.1	Very high	117 Å²	117	42.5 Å²	42.5	55%	0.547	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-48.6	174.9	-71.8	170.2	-6.6	0	0	111.8	I630 N631 V636 S637	I630-Q634 WeakPolarHBondContact O-CG 3.27Å; I630-Q634 PolarHBondContact O-N 2.95Å; N631-Q634 PolarHBondContact O-N 3.16Å; Q634-V636 PolarHBondContact O-N 3.24Å; Q634-S637 PolarHBondContact O-N 3.21Å; Q634-S637 PolarHBondContact O-OG 2.81Å
635	Y	93.7	Very high	94.4	Very high	96 Å²	96	45.2 Å²	45.2	38%	0.376	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-38	176.9	177.3	-88.8	0	0	0	113.1	N631 A632 D729 M732 S736	N631-Y635 PolarHBondContact O-N 3.08Å; A632-Y635 PolarHBondContact O-N 2.91Å; Y635-D729 PolarHBondContact OH-OD1 3.02Å; Y635-M732 HydrophobicContact CE1-CB 4.47Å; Y635-S736 WeakPolarHBondContact CD1-OG 3.45Å
636	V	95.5	Very high	94.6	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.036	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-42.2	175	163.7	0	0	0	0	110.9	F613 A632 M633 Q634 S638 P639 A642 L737 I740	F613-V636 HydrophobicContact CE2-CB 4.08Å; F613-V636 HydrophobicContact CE2-CG1 3.64Å; F613-V636 HydrophobicContact CZ-CG1 4.17Å; A632-V636 WeakPolarHBondContact O-CB 3.42Å; A632-V636 WeakPolarHBondContact O-CG2 3.3Å; A632-V636 PolarHBondContact O-N 3.27Å; M633-V636 PolarHBondContact O-N 3.37Å; Q634-V636 PolarHBondContact O-N 3.24Å; V636-S638 PolarHBondContact O-N 2.69Å; V636-P639 HydrophobicContact CG1-CB 4.28Å; V636-A642 HydrophobicContact CG1-CB 3.84Å; V636-L737 HydrophobicContact CG1-CD2 3.94Å; V636-L737 HydrophobicContact CG2-CD2 3.87Å; V636-L737 HydrophobicContact CG2-CG 4.06Å; V636-I740 HydrophobicContact CB-CD1 4.13Å; V636-I740 HydrophobicContact CG1-CD1 4.48Å; V636-I740 HydrophobicContact CG2-CD1 3.79Å
637	S	94.6	Very high	94.9	Very high	66 Å²	66	44.6 Å²	44.6	46%	0.462	21%	0.21	S	C	.	.	S	Bend	trans	57.1	-54.5	-175.8	-73.2	0	0	0	0	115.4	D612 F613 M633 Q634	D612-S637 CarbonylContact C-O 3.55Å; D612-S637 VanDerWaalsContact CA-O 3.32Å; D612-S637 WeakPolarHBondContact CA-O 3.35Å; F613-S637 WeakPolarHBondContact CD2-O 3.39Å; F613-S637 PolarHBondContact N-O 3.17Å; M633-S637 PolarHBondContact O-N 3.09Å; Q634-S637 PolarHBondContact O-N 3.21Å; Q634-S637 PolarHBondContact O-OG 2.81Å
638	S	95.1	Very high	95.1	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.021	20%	0.198	C	C	.	.			trans	-128.4	118.1	171.8	176.1	0	0	0	0	109.8	S611 D612 V636 Y640 K641 A642	S611-S638 WeakPolarHBondContact O-CA 3.42Å; S611-S638 VanDerWaalsContact O-CB 3.23Å; S611-S638 WeakPolarHBondContact O-CB 3.17Å; S611-S638 PolarHBondContact O-OG 3.16Å; D612-S638 VanDerWaalsContact OD1-CB 3.29Å; D612-S638 WeakPolarHBondContact OD1-CB 3.05Å; V636-S638 PolarHBondContact O-N 2.69Å; S638-Y640 PolarHBondContact O-N 3.33Å; S638-K641 PolarHBondContact O-N 3.4Å; S638-K641 WeakPolarHBondContact OG-CG 2.99Å; S638-A642 WeakPolarHBondContact O-CB 3.2Å; S638-A642 PolarHBondContact O-N 3.1Å
639	P	94.8	Very high	95.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-67.8	-36.4	-175.7	29.5	-35.7	0	0	0	111.7	M607 F613 V636 A642 C643	M607-P639 HydrophobicContact CE-CB 3.81Å; M607-P639 VanDerWaalsContact O-CB 3.27Å; M607-P639 WeakPolarHBondContact O-CB 3.47Å; M607-P639 WeakPolarHBondContact O-CG 3Å; M607-P639 HydrophobicContact SD-CB 4.07Å; F613-P639 HydrophobicContact CD1-CG 4.41Å; F613-P639 HydrophobicContact CE1-CB 4.21Å; F613-P639 HydrophobicContact CE1-CG 3.69Å; F613-P639 HydrophobicContact CZ-CB 3.84Å; F613-P639 HydrophobicContact CZ-CG 3.81Å; V636-P639 HydrophobicContact CG1-CB 4.28Å; P639-A642 PolarHBondContact O-N 2.87Å; P639-C643 WeakPolarHBondContact O-CB 3.17Å; P639-C643 PolarHBondContact O-N 2.99Å; P639-C643 PolarHBondContact O-SG 3.36Å; P639-C643 VanDerWaalsContact O-SG 3.34Å
640	Y	94.3	Very high	95.5	Very high	68 Å²	68	40.5 Å²	40.5	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-64.9	-44.7	176.1	-168.2	-89.8	0	0	0	112.5	N610 S638 A642 C643 G644 Y699	N610-Y640 HydrophobicContact CB-CD1 4.17Å; N610-Y640 HydrophobicContact CB-CD2 4.26Å; N610-Y640 HydrophobicContact CB-CG 3.93Å; N610-Y640 WeakPolarHBondContact OD1-CD1 3.39Å; S638-Y640 PolarHBondContact O-N 3.33Å; Y640-A642 VanDerWaalsContact C-N 3.34Å; Y640-A642 PolarHBondContact O-N 3.31Å; Y640-C643 PolarHBondContact O-N 3.19Å; Y640-G644 PolarHBondContact O-N 2.76Å; Y640-Y699 HydrophobicContact CD2-CD2 4.06Å; Y640-Y699 HydrophobicContact CD2-CE2 4.01Å; Y640-Y699 HydrophobicContact CE1-CE2 4.28Å; Y640-Y699 AromaticContact CE2-CD2 3.89Å; Y640-Y699 HydrophobicContact CE2-CD2 3.89Å; Y640-Y699 AromaticContact CE2-CE2 3.67Å; Y640-Y699 HydrophobicContact CE2-CE2 3.67Å; Y640-Y699 HydrophobicContact CG-CE2 4.44Å; Y640-Y699 AromaticContact CZ-CE2 3.81Å
641	K	95.2	Very high	95.5	Very high	118 Å²	118	43.8 Å²	43.8	51%	0.513	21%	0.206	S	C	.	.	H	α-helix	trans	-64.7	-38.5	175.9	-59.9	173.9	-165.4	161.5	0	111.3	D612 S638 G644 R645	D612-K641 IonicContact OD1-NZ 2.72Å; D612-K641 PolarHBondContact OD1-NZ 3.42Å; D612-K641 IonicContact OD2-NZ 3.48Å; S638-K641 PolarHBondContact O-N 3.4Å; S638-K641 WeakPolarHBondContact OG-CG 2.99Å; K641-G644 PolarHBondContact O-N 3.45Å; K641-R645 PolarHBondContact O-N 2.77Å
642	A	96.3	Very high	95.6	Very high	1 Å²	1	43 Å²	43	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-67.5	-42.5	176.5	0	0	0	0	0	112.6	V636 S638 P639 Y640 G644 R645 L646 L737	V636-A642 HydrophobicContact CG1-CB 3.84Å; S638-A642 WeakPolarHBondContact O-CB 3.2Å; S638-A642 PolarHBondContact O-N 3.1Å; P639-A642 PolarHBondContact O-N 2.87Å; Y640-A642 VanDerWaalsContact C-N 3.34Å; Y640-A642 PolarHBondContact O-N 3.31Å; A642-G644 VanDerWaalsContact C-N 3.26Å; A642-G644 PolarHBondContact O-N 3.01Å; A642-R645 PolarHBondContact O-N 3.26Å; A642-L646 WeakPolarHBondContact O-CB 3.43Å; A642-L646 PolarHBondContact O-N 3.13Å; A642-L737 HydrophobicContact CB-CD1 4.09Å; A642-L737 HydrophobicContact CB-CD2 4.1Å; A642-L737 HydrophobicContact CB-CG 4.34Å
643	C	96.7	Very high	95.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-36.7	170.6	-73.6	0	0	0	0	112	P639 Y640 L646 F647 F692 Y699	P639-C643 WeakPolarHBondContact O-CB 3.17Å; P639-C643 PolarHBondContact O-N 2.99Å; P639-C643 PolarHBondContact O-SG 3.36Å; P639-C643 VanDerWaalsContact O-SG 3.34Å; Y640-C643 PolarHBondContact O-N 3.19Å; C643-L646 PolarHBondContact O-N 3.49Å; C643-F647 WeakPolarHBondContact O-CB 3.49Å; C643-F647 PolarHBondContact O-N 3.06Å; C643-F692 HydrophobicContact CB-CZ 4.03Å; C643-Y699 HydrophobicContact CB-CD1 4.05Å; C643-Y699 HydrophobicContact CB-CD2 3.64Å; C643-Y699 HydrophobicContact CB-CE1 4.32Å; C643-Y699 HydrophobicContact CB-CE2 3.93Å; C643-Y699 HydrophobicContact CB-CG 3.72Å
644	G	96.1	Very high	95.6	Very high	22 Å²	22	43.8 Å²	43.8	23%	0.227	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-49	170.4	0	0	0	0	0	113.5	Y640 K641 A642 L646 F647 E648 Y699	Y640-G644 PolarHBondContact O-N 2.76Å; K641-G644 PolarHBondContact O-N 3.45Å; A642-G644 VanDerWaalsContact C-N 3.26Å; A642-G644 PolarHBondContact O-N 3.01Å; G644-L646 PolarHBondContact O-N 2.99Å; G644-F647 PolarHBondContact O-N 3.14Å; G644-E648 PolarHBondContact O-N 3.05Å; G644-E648 VanDerWaalsContact O-N 3.12Å; G644-Y699 WeakPolarHBondContact CA-OH 3.44Å
645	R	96	Very high	95.6	Very high	90 Å²	90	42.6 Å²	42.6	34%	0.34	20%	0.203	S	C	.	.	H	α-helix	trans	-57.3	-47.2	173.2	-71.4	-165.7	-73.5	148.2	-10.3	111.6	K641 A642 F647 E648 H649 D729	K641-R645 PolarHBondContact O-N 2.77Å; A642-R645 PolarHBondContact O-N 3.26Å; R645-F647 VanDerWaalsContact C-N 3.34Å; R645-F647 PolarHBondContact O-N 2.79Å; R645-E648 PolarHBondContact O-N 2.85Å; R645-H649 PolarHBondContact O-CD2 2.82Å; R645-H649 VanDerWaalsContact O-CD2 3.28Å; R645-H649 PolarHBondContact O-N 3.43Å; R645-D729 IonicContact NH1-OD1 2.71Å; R645-D729 PolarHBondContact NH1-OD1 2.84Å; R645-D729 IonicContact NH1-OD2 3.32Å
646	L	96.9	Very high	95.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-40.3	-179.8	-173.8	63	0	0	0	112.1	A642 C643 G644 H649 V650 F692 I704 I707 F730 A734 L737	A642-L646 WeakPolarHBondContact O-CB 3.43Å; A642-L646 PolarHBondContact O-N 3.13Å; C643-L646 PolarHBondContact O-N 3.49Å; G644-L646 PolarHBondContact O-N 2.99Å; L646-H649 PolarHBondContact O-N 2.86Å; L646-V650 VanDerWaalsContact O-CG2 3.29Å; L646-V650 WeakPolarHBondContact O-CG2 3.48Å; L646-V650 PolarHBondContact O-N 3.05Å; L646-F692 HydrophobicContact CB-CE1 4.16Å; L646-F692 HydrophobicContact CB-CZ 4.48Å; L646-F692 HydrophobicContact CD2-CE1 4.06Å; L646-F692 HydrophobicContact CD2-CZ 3.9Å; L646-F692 HydrophobicContact CG-CE1 4.08Å; L646-F692 HydrophobicContact CG-CZ 4.39Å; L646-I704 HydrophobicContact CD2-CG1 4.35Å; L646-I707 HydrophobicContact CD1-CG2 4.02Å; L646-I707 HydrophobicContact CD2-CD1 4.24Å; L646-I707 HydrophobicContact CD2-CG2 4.33Å; L646-I707 HydrophobicContact CG-CG2 4.37Å; L646-F730 HydrophobicContact CD1-CD2 3.81Å; L646-F730 HydrophobicContact CD1-CE2 3.67Å; L646-A734 HydrophobicContact CD1-CB 3.75Å; L646-L737 HydrophobicContact CB-CD1 4.4Å; L646-L737 HydrophobicContact CD2-CD1 3.9Å
647	F	97	Very high	95.6	Very high	38 Å²	38	40.8 Å²	40.8	17%	0.167	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-43.4	176.8	178.7	-89.1	0	0	0	112	C643 G644 R645 V650 R651 L689 F692 R693 Y699	C643-F647 WeakPolarHBondContact O-CB 3.49Å; C643-F647 PolarHBondContact O-N 3.06Å; G644-F647 PolarHBondContact O-N 3.14Å; R645-F647 VanDerWaalsContact C-N 3.34Å; R645-F647 PolarHBondContact O-N 2.79Å; F647-V650 PolarHBondContact O-N 3.03Å; F647-R651 WeakPolarHBondContact O-CB 3.33Å; F647-R651 PolarHBondContact O-N 3.3Å; F647-L689 HydrophobicContact CD2-CD1 4.19Å; F647-L689 HydrophobicContact CE1-CD1 4.22Å; F647-L689 HydrophobicContact CE2-CD1 3.7Å; F647-L689 WeakPolarHBondContact CE2-O 3.22Å; F647-L689 HydrophobicContact CZ-CD1 3.71Å; F647-F692 HydrophobicContact CB-CD1 4.14Å; F647-F692 HydrophobicContact CB-CE1 4Å; F647-F692 HydrophobicContact CD2-CD1 4.09Å; F647-R693 HydrophobicContact CD2-CB 3.72Å; F647-R693 HydrophobicContact CE2-CB 3.48Å; F647-R693 VanDerWaalsContact CE2-CB 3.48Å; F647-R693 HydrophobicContact CE2-CG 4.38Å; F647-R693 HydrophobicContact CZ-CB 4.37Å; F647-Y699 HydrophobicContact CB-CE1 3.96Å; F647-Y699 HydrophobicContact CD2-CE1 4.37Å; F647-Y699 HydrophobicContact CG-CE1 4.29Å
648	E	96.5	Very high	95.5	Very high	69 Å²	69	39.2 Å²	39.2	32%	0.322	19%	0.186	S	C	.	.	H	α-helix	trans	-69	-36.8	178.7	-165.4	61.7	-159.5	0	0	111.8	G644 R645 V650 R651 L652	G644-E648 PolarHBondContact O-N 3.05Å; G644-E648 VanDerWaalsContact O-N 3.12Å; R645-E648 PolarHBondContact O-N 2.85Å; E648-V650 PolarHBondContact O-N 3.4Å; E648-R651 CarbonylContact O-C 3.53Å; E648-R651 WeakPolarHBondContact O-CB 3.48Å; E648-R651 PolarHBondContact O-N 3.42Å; E648-R651 VanDerWaalsContact O-N 3.15Å; E648-R651 WeakPolarHBondContact OE1-CD 3.38Å; E648-R651 IonicContact OE1-CZ 2.7Å; E648-R651 IonicContact OE1-NE 2.64Å; E648-R651 IonicContact OE1-NH1 3.13Å; E648-R651 PolarHBondContact OE1-NH1 3.38Å; E648-R651 WeakPolarHBondContact OE2-CD 3.25Å; E648-R651 IonicContact OE2-CZ 3.2Å; E648-R651 IonicContact OE2-NE 3.58Å; E648-R651 IonicContact OE2-NH1 2.71Å; E648-R651 PolarHBondContact OE2-NH1 2.84Å; E648-L652 HydrophobicContact CG-CD1 4.48Å; E648-L652 WeakPolarHBondContact O-CB 3.38Å; E648-L652 WeakPolarHBondContact O-CG 3.5Å; E648-L652 PolarHBondContact O-N 3.01Å
649	H	97	Very high	95.4	Very high	22 Å²	22	46 Å²	46	10%	0.102	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-45.8	170.3	-79.8	-56.4	0	0	0	112.8	R645 L646 R651 L652 L653 D729 F730	R645-H649 PolarHBondContact O-CD2 2.82Å; R645-H649 VanDerWaalsContact O-CD2 3.28Å; R645-H649 PolarHBondContact O-N 3.43Å; L646-H649 PolarHBondContact O-N 2.86Å; H649-R651 PolarHBondContact O-N 2.95Å; H649-L652 PolarHBondContact O-N 3.01Å; H649-L653 PolarHBondContact O-N 3.04Å; H649-D729 IonicContact CD2-OD2 3.55Å; H649-D729 IonicContact CE1-OD2 2.85Å; H649-D729 IonicContact NE2-OD2 3.67Å; H649-D729 PolarHBondContact NE2-OD2 2.77Å; H649-F730 HydrophobicContact CB-CB 4.02Å; H649-F730 HydrophobicContact CB-CD1 4.04Å; H649-F730 HydrophobicContact CB-CD2 3.5Å; H649-F730 VanDerWaalsContact CB-CD2 3.5Å; H649-F730 HydrophobicContact CB-CE1 4.38Å; H649-F730 HydrophobicContact CB-CE2 3.91Å; H649-F730 HydrophobicContact CB-CG 3.59Å; H649-F730 HydrophobicContact CB-CZ 4.33Å; H649-F730 AromaticContact CG-CG 3.89Å
650	V	96.7	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.2	-34.5	175.3	170.9	0	0	0	0	111.4	L646 F647 E648 S654 W685 L689 I707 F730	L646-V650 VanDerWaalsContact O-CG2 3.29Å; L646-V650 WeakPolarHBondContact O-CG2 3.48Å; L646-V650 PolarHBondContact O-N 3.05Å; F647-V650 PolarHBondContact O-N 3.03Å; E648-V650 PolarHBondContact O-N 3.4Å; V650-S654 WeakPolarHBondContact O-CB 3.27Å; V650-S654 PolarHBondContact O-N 3.09Å; V650-S654 PolarHBondContact O-OG 3.04Å; V650-W685 HydrophobicContact CG1-CE3 4.2Å; V650-W685 HydrophobicContact CG2-CZ3 4.08Å; V650-L689 HydrophobicContact CG1-CB 3.86Å; V650-L689 HydrophobicContact CG1-CD1 4.11Å; V650-I707 HydrophobicContact CG2-CD1 4.41Å; V650-I707 HydrophobicContact CG2-CG2 4.12Å; V650-F730 HydrophobicContact CG2-CE2 3.89Å; V650-F730 HydrophobicContact CG2-CZ 3.8Å
651	R	96.3	Very high	95.1	Very high	112 Å²	112	43.9 Å²	43.9	42%	0.423	21%	0.206	S	C	.	.	H	α-helix	trans	-72.2	-45.3	176.1	-171.4	-167.5	177.3	-159.5	-1.6	112.3	F647 E648 H649 S654 N655 L689	F647-R651 WeakPolarHBondContact O-CB 3.33Å; F647-R651 PolarHBondContact O-N 3.3Å; E648-R651 CarbonylContact O-C 3.53Å; E648-R651 WeakPolarHBondContact O-CB 3.48Å; E648-R651 PolarHBondContact O-N 3.42Å; E648-R651 VanDerWaalsContact O-N 3.15Å; E648-R651 WeakPolarHBondContact OE1-CD 3.38Å; E648-R651 IonicContact OE1-CZ 2.7Å; E648-R651 IonicContact OE1-NE 2.64Å; E648-R651 IonicContact OE1-NH1 3.13Å; E648-R651 PolarHBondContact OE1-NH1 3.38Å; E648-R651 WeakPolarHBondContact OE2-CD 3.25Å; E648-R651 IonicContact OE2-CZ 3.2Å; E648-R651 IonicContact OE2-NE 3.58Å; E648-R651 IonicContact OE2-NH1 2.71Å; E648-R651 PolarHBondContact OE2-NH1 2.84Å; H649-R651 PolarHBondContact O-N 2.95Å; R651-S654 WeakPolarHBondContact O-CB 3.14Å; R651-S654 PolarHBondContact O-N 3.23Å; R651-N655 VanDerWaalsContact O-CG 3.24Å; R651-N655 PolarHBondContact O-N 3.01Å; R651-N655 PolarHBondContact O-ND2 3.13Å; R651-L689 HydrophobicContact CB-CD1 3.76Å; R651-L689 HydrophobicContact CB-CD2 4.48Å; R651-L689 HydrophobicContact CG-CD1 4.29Å; R651-L689 HydrophobicContact CG-CD2 4.4Å
652	L	95.3	Very high	94.8	Very high	66 Å²	66	48.3 Å²	48.3	35%	0.346	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-47.3	176.3	-72.9	171.2	0	0	0	111	E648 H649 S654 N655 R656	E648-L652 HydrophobicContact CG-CD1 4.48Å; E648-L652 WeakPolarHBondContact O-CB 3.38Å; E648-L652 WeakPolarHBondContact O-CG 3.5Å; E648-L652 PolarHBondContact O-N 3.01Å; H649-L652 PolarHBondContact O-N 3.01Å; L652-S654 PolarHBondContact O-N 2.97Å; L652-N655 PolarHBondContact O-N 3.18Å; L652-R656 WeakPolarHBondContact O-CB 3.48Å; L652-R656 PolarHBondContact O-N 3.31Å
653	L	95.3	Very high	94.5	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-43.7	173.8	-179.5	56.8	0	0	0	111.6	H649 N655 R656 L657 W685 L722 F730	H649-L653 PolarHBondContact O-N 3.04Å; L653-N655 VanDerWaalsContact C-N 3.33Å; L653-N655 PolarHBondContact O-N 3.02Å; L653-R656 PolarHBondContact O-N 3.31Å; L653-L657 HydrophobicContact CD1-CD1 4.13Å; L653-L657 HydrophobicContact CD1-CG 3.99Å; L653-L657 HydrophobicContact CG-CD1 3.96Å; L653-L657 HydrophobicContact CG-CG 4.3Å; L653-L657 WeakPolarHBondContact O-CB 3.41Å; L653-L657 VanDerWaalsContact O-CG 3.24Å; L653-L657 WeakPolarHBondContact O-CG 3.45Å; L653-L657 PolarHBondContact O-N 2.96Å; L653-W685 HydrophobicContact CD2-CD2 3.8Å; L653-W685 VanDerWaalsContact CD2-CE2 3.47Å; L653-W685 HydrophobicContact CD2-CE3 4.31Å; L653-W685 HydrophobicContact CD2-CG 4.27Å; L653-W685 HydrophobicContact CD2-CH2 4.22Å; L653-W685 HydrophobicContact CD2-CZ2 3.68Å; L653-L722 HydrophobicContact CD1-CD2 3.99Å; L653-L722 HydrophobicContact CD2-CD2 3.96Å; L653-F730 HydrophobicContact CB-CE1 4.34Å; L653-F730 HydrophobicContact CD2-CE1 3.85Å
654	S	94.9	Very high	94	Very high	15 Å²	15	54.2 Å²	54.2	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-41.2	176.6	-62.8	0	0	0	0	112.5	V650 R651 L652 A658	V650-S654 WeakPolarHBondContact O-CB 3.27Å; V650-S654 PolarHBondContact O-N 3.09Å; V650-S654 PolarHBondContact O-OG 3.04Å; R651-S654 WeakPolarHBondContact O-CB 3.14Å; R651-S654 PolarHBondContact O-N 3.23Å; L652-S654 PolarHBondContact O-N 2.97Å; S654-A658 PolarHBondContact O-N 3.43Å
655	N	94.2	Very high	93.5	Very high	92 Å²	92	59.6 Å²	59.6	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-45.5	175.2	-69.1	-24.3	0	0	0	111.7	R651 L652 L653 L657 A658 W659	R651-N655 VanDerWaalsContact O-CG 3.24Å; R651-N655 PolarHBondContact O-N 3.01Å; R651-N655 PolarHBondContact O-ND2 3.13Å; L652-N655 PolarHBondContact O-N 3.18Å; L653-N655 VanDerWaalsContact C-N 3.33Å; L653-N655 PolarHBondContact O-N 3.02Å; N655-L657 VanDerWaalsContact C-N 3.35Å; N655-L657 PolarHBondContact O-N 3.19Å; N655-A658 PolarHBondContact O-N 2.84Å; N655-W659 PolarHBondContact O-N 2.93Å
656	R	93.5	Very high	93	Very high	65 Å²	65	57.1 Å²	57.1	25%	0.245	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-43.3	176.4	177.7	174.9	172.9	84	-9.6	111.7	L652 L653 A658 W659 L660 I721 L722	L652-R656 WeakPolarHBondContact O-CB 3.48Å; L652-R656 PolarHBondContact O-N 3.31Å; L653-R656 PolarHBondContact O-N 3.31Å; R656-A658 VanDerWaalsContact C-N 3.34Å; R656-A658 PolarHBondContact O-N 3.04Å; R656-W659 PolarHBondContact O-N 2.69Å; R656-L660 HydrophobicContact CG-CD1 4.04Å; R656-L660 HydrophobicContact CG-CG 4.38Å; R656-L660 WeakPolarHBondContact O-CB 3.34Å; R656-L660 WeakPolarHBondContact O-CG 3.45Å; R656-L660 PolarHBondContact O-N 2.97Å; R656-I721 WeakPolarHBondContact CD-O 3.42Å; R656-I721 PolarHBondContact NE-O 2.99Å; R656-L722 PolarHBondContact NE-O 3.16Å; R656-L722 PolarHBondContact NH2-O 3.01Å
657	L	94.4	Very high	92.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-39.2	175.2	-72	172.5	0	0	0	112.1	L653 N655 W659 L660 S661 W678 L681 L682 W685 I721	L653-L657 HydrophobicContact CD1-CD1 4.13Å; L653-L657 HydrophobicContact CD1-CG 3.99Å; L653-L657 HydrophobicContact CG-CD1 3.96Å; L653-L657 HydrophobicContact CG-CG 4.3Å; L653-L657 WeakPolarHBondContact O-CB 3.41Å; L653-L657 VanDerWaalsContact O-CG 3.24Å; L653-L657 WeakPolarHBondContact O-CG 3.45Å; L653-L657 PolarHBondContact O-N 2.96Å; N655-L657 VanDerWaalsContact C-N 3.35Å; N655-L657 PolarHBondContact O-N 3.19Å; L657-W659 VanDerWaalsContact C-N 3.29Å; L657-W659 PolarHBondContact O-N 3.3Å; L657-L660 PolarHBondContact O-N 3Å; L657-S661 WeakPolarHBondContact O-CB 3.42Å; L657-S661 PolarHBondContact O-N 3.4Å; L657-W678 HydrophobicContact CD2-CZ3 4.29Å; L657-L681 HydrophobicContact CD1-CD1 4.31Å; L657-L681 HydrophobicContact CD1-CG 4.13Å; L657-L681 HydrophobicContact CD2-CD2 3.59Å; L657-L681 HydrophobicContact CD2-CG 3.97Å; L657-L682 HydrophobicContact CB-CD2 3.72Å; L657-W685 HydrophobicContact CD1-CB 3.99Å; L657-W685 VanDerWaalsContact CD1-CD1 3.44Å; L657-W685 HydrophobicContact CD1-CG 3.89Å; L657-I721 HydrophobicContact CD2-CB 3.96Å; L657-I721 HydrophobicContact CD2-CD1 4.25Å; L657-I721 HydrophobicContact CD2-CG2 4.23Å
658	A	93.3	Very high	91.9	Very high	33 Å²	33	63.3 Å²	63.3	27%	0.273	31%	0.305	S	S	.	.	H	α-helix	trans	-67.1	-29.7	176.5	0	0	0	0	0	112.9	S654 N655 R656 R662 L682	S654-A658 PolarHBondContact O-N 3.43Å; N655-A658 PolarHBondContact O-N 2.84Å; R656-A658 VanDerWaalsContact C-N 3.34Å; R656-A658 PolarHBondContact O-N 3.04Å; A658-R662 WeakPolarHBondContact O-CG 3.36Å; A658-L682 HydrophobicContact CB-CD2 4.3Å
659	W	93.5	Very high	91.5	Very high	146 Å²	146	67.4 Å²	67.4	55%	0.553	32%	0.317	S	S	*	.	H	α-helix	trans	-75.5	-49.5	170.9	177.1	83.2	0	0	0	112.2	N655 R656 L657 S661 R662 S663 E666	N655-W659 PolarHBondContact O-N 2.93Å; R656-W659 PolarHBondContact O-N 2.69Å; L657-W659 VanDerWaalsContact C-N 3.29Å; L657-W659 PolarHBondContact O-N 3.3Å; W659-S661 VanDerWaalsContact C-N 3.33Å; W659-S661 PolarHBondContact O-N 3.02Å; W659-R662 PolarHBondContact O-N 2.82Å; W659-R662 VanDerWaalsContact O-N 3.13Å; W659-S663 PolarHBondContact O-N 3.04Å; W659-E666 HydrophobicContact CH2-CG 4.08Å; W659-E666 HydrophobicContact CZ3-CG 4.42Å
660	L	92.5	Very high	91.1	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-56.5	-45.1	177.4	-75.3	172.8	0	0	0	111.7	R656 L657 R662 S663 E666 I670 W678	R656-L660 HydrophobicContact CG-CD1 4.04Å; R656-L660 HydrophobicContact CG-CG 4.38Å; R656-L660 WeakPolarHBondContact O-CB 3.34Å; R656-L660 WeakPolarHBondContact O-CG 3.45Å; R656-L660 PolarHBondContact O-N 2.97Å; L657-L660 PolarHBondContact O-N 3Å; L660-R662 VanDerWaalsContact C-N 3.26Å; L660-R662 PolarHBondContact O-N 3.36Å; L660-S663 PolarHBondContact O-N 2.9Å; L660-E666 HydrophobicContact CD2-CB 3.85Å; L660-I670 HydrophobicContact CD1-CD1 3.94Å; L660-I670 HydrophobicContact CD2-CD1 3.88Å; L660-I670 HydrophobicContact CG-CD1 4.48Å; L660-W678 HydrophobicContact CB-CH2 4.15Å; L660-W678 HydrophobicContact CB-CZ3 3.76Å; L660-W678 HydrophobicContact CD1-CZ3 4.41Å
661	S	89.3	Confident	90.6	Very high	19 Å²	19	75.5 Å²	75.5	13%	0.133	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-29.7	179.5	-174.9	0	0	0	0	113.3	L657 W659 R667	L657-S661 WeakPolarHBondContact O-CB 3.42Å; L657-S661 PolarHBondContact O-N 3.4Å; W659-S661 VanDerWaalsContact C-N 3.33Å; W659-S661 PolarHBondContact O-N 3.02Å; S661-R667 PolarHBondContact O-NH1 3Å; S661-R667 PolarHBondContact OG-NH1 3.04Å
662	R	89.8	Confident	90.3	Very high	212 Å²	212	71 Å²	71	80%	0.8	34%	0.34	S	S	*	.	H	α-helix	trans	-82.2	-33.9	173.5	-78.5	-178.9	161.1	98.8	-4.4	113	A658 W659 L660 S664	A658-R662 WeakPolarHBondContact O-CG 3.36Å; W659-R662 PolarHBondContact O-N 2.82Å; W659-R662 VanDerWaalsContact O-N 3.13Å; L660-R662 VanDerWaalsContact C-N 3.26Å; L660-R662 PolarHBondContact O-N 3.36Å; R662-S664 PolarHBondContact O-N 3.37Å
663	S	89.7	Confident	90	Very high	32 Å²	32	69.7 Å²	69.7	22%	0.224	33%	0.33	C	S	.	.			trans	-78.6	87.5	-179	-172.2	0	0	0	0	111.2	W659 L660 K665 E666 R667	W659-S663 PolarHBondContact O-N 3.04Å; L660-S663 PolarHBondContact O-N 2.9Å; S663-K665 PolarHBondContact O-N 2.8Å; S663-E666 PolarHBondContact O-N 2.96Å; S663-R667 WeakPolarHBondContact O-CB 3.4Å; S663-R667 PolarHBondContact O-N 2.81Å
664	S	85	Confident	89.2	Confident	94 Å²	94	73.4 Å²	73.4	66%	0.657	35%	0.348	S	S	*	.	H	α-helix	trans	-47.2	-36.4	-178.9	-177.7	0	0	0	0	114.2	R662 S668	R662-S664 PolarHBondContact O-N 3.37Å; S664-S668 WeakPolarHBondContact O-CB 3.45Å; S664-S668 PolarHBondContact O-N 3.37Å; S664-S668 VanDerWaalsContact O-N 3.15Å; S664-S668 PolarHBondContact O-OG 2.84Å
665	K	87.1	Confident	88.3	Confident	134 Å²	134	75.2 Å²	75.2	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-67.2	-36.7	177	-175.8	-170.9	171.2	-163.7	0	113.8	S663 S668 R669	S663-K665 PolarHBondContact O-N 2.8Å; K665-S668 PolarHBondContact O-OG 3.21Å; K665-R669 WeakPolarHBondContact O-CD 3.24Å; K665-R669 WeakPolarHBondContact O-CG 3.06Å
666	E	85.9	Confident	87.9	Confident	38 Å²	38	71.4 Å²	71.4	18%	0.178	35%	0.348	C	S	.	.	H	α-helix	trans	-88.6	-36.9	179.4	-52.6	-49.8	137.6	0	0	111	W659 L660 S663 S668 R669 I670	W659-E666 HydrophobicContact CH2-CG 4.08Å; W659-E666 HydrophobicContact CZ3-CG 4.42Å; L660-E666 HydrophobicContact CD2-CB 3.85Å; S663-E666 PolarHBondContact O-N 2.96Å; E666-S668 PolarHBondContact O-N 2.7Å; E666-R669 VanDerWaalsContact CD-NH1 3.31Å; E666-R669 WeakPolarHBondContact O-CB 3.45Å; E666-R669 PolarHBondContact O-N 3.44Å; E666-R669 IonicContact OE1-CZ 2.79Å; E666-R669 IonicContact OE1-NH1 3.31Å; E666-R669 PolarHBondContact OE1-NH1 3.39Å; E666-R669 VanDerWaalsContact OE1-NH1 3.12Å; E666-R669 WeakPolarHBondContact OE2-CD 3.4Å; E666-R669 IonicContact OE2-CZ 2.72Å; E666-R669 IonicContact OE2-NE 2.87Å; E666-R669 IonicContact OE2-NH1 3.92Å; E666-R669 PolarHBondContact OE2-NH1 2.98Å; E666-I670 PolarHBondContact O-N 2.98Å
667	R	85.4	Confident	87.5	Confident	86 Å²	86	69.9 Å²	69.9	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-53	-33.9	170	-168.3	-173.1	174.3	118.4	-1.7	113.2	S661 S663 W678	S661-R667 PolarHBondContact O-NH1 3Å; S661-R667 PolarHBondContact OG-NH1 3.04Å; S663-R667 WeakPolarHBondContact O-CB 3.4Å; S663-R667 PolarHBondContact O-N 2.81Å; R667-W678 HydrophobicContact CG-CD2 4.04Å; R667-W678 HydrophobicContact CG-CG 4.17Å; R667-W678 HydrophobicContact CG-CZ2 4.1Å
668	S	85.1	Confident	87.3	Confident	83 Å²	83	70.9 Å²	70.9	58%	0.58	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.2	178.9	51.3	0	0	0	0	114.6	S664 K665 E666	S664-S668 WeakPolarHBondContact O-CB 3.45Å; S664-S668 PolarHBondContact O-N 3.37Å; S664-S668 VanDerWaalsContact O-N 3.15Å; S664-S668 PolarHBondContact O-OG 2.84Å; K665-S668 PolarHBondContact O-OG 3.21Å; E666-S668 PolarHBondContact O-N 2.7Å
669	R	87.1	Confident	87.1	Confident	155 Å²	155	71.5 Å²	71.5	59%	0.585	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-43.2	170.9	-72.8	162.7	158.3	-163.7	-14.9	111.2	K665 E666 H671	K665-R669 WeakPolarHBondContact O-CD 3.24Å; K665-R669 WeakPolarHBondContact O-CG 3.06Å; E666-R669 VanDerWaalsContact CD-NH1 3.31Å; E666-R669 WeakPolarHBondContact O-CB 3.45Å; E666-R669 PolarHBondContact O-N 3.44Å; E666-R669 IonicContact OE1-CZ 2.79Å; E666-R669 IonicContact OE1-NH1 3.31Å; E666-R669 PolarHBondContact OE1-NH1 3.39Å; E666-R669 VanDerWaalsContact OE1-NH1 3.12Å; E666-R669 WeakPolarHBondContact OE2-CD 3.4Å; E666-R669 IonicContact OE2-CZ 2.72Å; E666-R669 IonicContact OE2-NE 2.87Å; E666-R669 IonicContact OE2-NH1 3.92Å; E666-R669 PolarHBondContact OE2-NH1 2.98Å; R669-H671 PolarHBondContact O-N 3.08Å; R669-H671 PolarHBondContact O-ND1 3.43Å
670	I	88.3	Confident	86.9	Confident	29 Å²	29	64.5 Å²	64.5	15%	0.149	32%	0.323	C	S	.	.			trans	-83.4	113.9	-176	-60.9	161.6	0	0	0	110.1	L660 E666 L672 W678 G720 I721	L660-I670 HydrophobicContact CD1-CD1 3.94Å; L660-I670 HydrophobicContact CD2-CD1 3.88Å; L660-I670 HydrophobicContact CG-CD1 4.48Å; E666-I670 PolarHBondContact O-N 2.98Å; I670-L672 HydrophobicContact CG2-CD2 3.97Å; I670-W678 HydrophobicContact CB-CH2 4Å; I670-W678 HydrophobicContact CB-CZ2 3.89Å; I670-W678 HydrophobicContact CD1-CH2 3.99Å; I670-W678 HydrophobicContact CG2-CH2 4.01Å; I670-W678 HydrophobicContact CG2-CZ2 4.04Å; I670-G720 VanDerWaalsContact CD1-O 3.24Å; I670-G720 WeakPolarHBondContact CD1-O 3.34Å; I670-I721 HydrophobicContact CG2-CG2 3.86Å
671	H	87	Confident	86.9	Confident	162 Å²	162	64.3 Å²	64.3	75%	0.75	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-92.5	116	172.8	-70.2	66	0	0	0	109	R669	R669-H671 PolarHBondContact O-N 3.08Å; R669-H671 PolarHBondContact O-ND1 3.43Å
672	L	90	Very high	87.1	Confident	19 Å²	19	65.7 Å²	65.7	10%	0.099	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-82.3	140	179.7	-62.3	176.2	0	0	0	111.2	I670 Q674 G675 E676 W678 L681 N718 I721	I670-L672 HydrophobicContact CG2-CD2 3.97Å; L672-Q674 PolarHBondContact O-N 3.33Å; L672-G675 PolarHBondContact O-N 2.93Å; L672-E676 HydrophobicContact CB-CB 4.43Å; L672-E676 WeakPolarHBondContact CB-O 3.48Å; L672-E676 VanDerWaalsContact CD1-O 3.23Å; L672-E676 WeakPolarHBondContact CD1-O 3.3Å; L672-W678 HydrophobicContact CD1-CD2 3.83Å; L672-W678 HydrophobicContact CD1-CE3 4.36Å; L672-W678 HydrophobicContact CD1-CG 4.02Å; L672-W678 HydrophobicContact CD1-CZ2 4.21Å; L672-W678 HydrophobicContact CG-CZ2 4.27Å; L672-L681 HydrophobicContact CD1-CB 4.42Å; L672-L681 HydrophobicContact CD1-CD2 3.68Å; L672-L681 HydrophobicContact CD2-CD2 3.75Å; L672-L681 HydrophobicContact CG-CD2 4.39Å; L672-N718 WeakPolarHBondContact CA-OD1 3.27Å; L672-N718 HydrophobicContact CD2-CB 4.38Å; L672-I721 HydrophobicContact CD2-CG2 3.76Å
673	Y	87.8	Confident	87.1	Confident	37 Å²	37	58.3 Å²	58.3	15%	0.145	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-55.9	129.7	-173.1	179.3	-92.6	0	0	0	112.6	T360 T497 A498 G675 E676 Y713 H717 N718	T360-Y673 HydrophobicContact CG2-CE1 4.16Å; T497-Y673 WeakPolarHBondContact CA-OH 3.5Å; T497-Y673 WeakPolarHBondContact CB-OH 3.27Å; T497-Y673 HydrophobicContact CG2-CE1 4.17Å; A498-Y673 PolarHBondContact N-OH 3.45Å; Y673-G675 PolarHBondContact O-N 3.28Å; Y673-E676 PolarHBondContact O-N 2.59Å; Y673-E676 VanDerWaalsContact O-N 3.09Å; Y673-Y713 HydrophobicContact CD1-CE2 4.15Å; Y673-Y713 WeakPolarHBondContact CD1-OH 3.35Å; Y673-H717 HydrophobicContact CD2-CB 3.96Å; Y673-H717 AromaticContact CD2-ND1 3.56Å; Y673-H717 AromaticContact CE2-ND1 3.55Å; Y673-H717 HydrophobicContact CG-CB 3.91Å; Y673-N718 PolarHBondContact N-OD1 2.73Å
674	Q	79.1	Confident	87.3	Confident	86 Å²	86	57.2 Å²	57.2	40%	0.402	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	50.2	18.7	-174.5	-68.6	175.7	-18.6	0	0	115.4	Y438 L672	Y438-Q674 HydrophobicContact CD1-CB 4.3Å; Y438-Q674 WeakPolarHBondContact CD1-O 3.2Å; Y438-Q674 HydrophobicContact CE1-CB 3.63Å; Y438-Q674 WeakPolarHBondContact CE1-O 3.48Å; Y438-Q674 PolarHBondContact OH-OE1 3.06Å; L672-Q674 PolarHBondContact O-N 3.33Å
675	G	75.6	Confident	87.8	Confident	53 Å²	53	52.8 Å²	52.8	55%	0.546	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	72.9	35.4	-176.2	0	0	0	0	0	114	L672 Y673 S677	L672-G675 PolarHBondContact O-N 2.93Å; Y673-G675 PolarHBondContact O-N 3.28Å; G675-S677 PolarHBondContact O-N 3.04Å
676	E	85.6	Confident	88.2	Confident	12 Å²	12	48 Å²	48	6%	0.056	25%	0.248	C	C	.	.			trans	-51	125.1	159.1	-178.8	171	-143.4	0	0	108.7	L672 Y673 L680 L681 R684	L672-E676 HydrophobicContact CB-CB 4.43Å; L672-E676 WeakPolarHBondContact CB-O 3.48Å; L672-E676 VanDerWaalsContact CD1-O 3.23Å; L672-E676 WeakPolarHBondContact CD1-O 3.3Å; Y673-E676 PolarHBondContact O-N 2.59Å; Y673-E676 VanDerWaalsContact O-N 3.09Å; E676-L680 HydrophobicContact CG-CB 4.18Å; E676-L681 HydrophobicContact CG-CB 4.5Å; E676-R684 IonicContact OE1-CZ 3.41Å; E676-R684 IonicContact OE1-NE 2.65Å; E676-R684 PolarHBondContact OE1-NE 3.43Å; E676-R684 IonicContact OE1-NH2 2.65Å; E676-R684 IonicContact OE2-CZ 3.64Å; E676-R684 IonicContact OE2-NE 2.74Å; E676-R684 IonicContact OE2-NH2 3.38Å; E676-R684 PolarHBondContact OE2-NH2 2.84Å
677	S	86.9	Confident	88.5	Confident	34 Å²	34	49.7 Å²	49.7	24%	0.238	26%	0.255	C	S	.	.			trans	-74.2	148	-179.3	71.2	0	0	0	0	110.6	G675 D679 L680 L681	G675-S677 PolarHBondContact O-N 3.04Å; S677-D679 PolarHBondContact O-N 3.31Å; S677-D679 VanDerWaalsContact O-N 3.13Å; S677-L680 WeakPolarHBondContact O-CA 3.35Å; S677-L680 PolarHBondContact O-N 3.08Å; S677-L680 WeakPolarHBondContact OG-CG 3.22Å; S677-L680 PolarHBondContact OG-N 3.37Å; S677-L681 PolarHBondContact O-N 3.24Å
678	W	89.8	Confident	88.9	Confident	20 Å²	20	46.2 Å²	46.2	8%	0.076	24%	0.243	C	C	.	.	H	α-helix	trans	-54.5	-32.8	175	-72.8	88.3	0	0	0	112.4	L657 L660 R667 I670 L672 L681 L682 I721	L657-W678 HydrophobicContact CD2-CZ3 4.29Å; L660-W678 HydrophobicContact CB-CH2 4.15Å; L660-W678 HydrophobicContact CB-CZ3 3.76Å; L660-W678 HydrophobicContact CD1-CZ3 4.41Å; R667-W678 HydrophobicContact CG-CD2 4.04Å; R667-W678 HydrophobicContact CG-CG 4.17Å; R667-W678 HydrophobicContact CG-CZ2 4.1Å; I670-W678 HydrophobicContact CB-CH2 4Å; I670-W678 HydrophobicContact CB-CZ2 3.89Å; I670-W678 HydrophobicContact CD1-CH2 3.99Å; I670-W678 HydrophobicContact CG2-CH2 4.01Å; I670-W678 HydrophobicContact CG2-CZ2 4.04Å; L672-W678 HydrophobicContact CD1-CD2 3.83Å; L672-W678 HydrophobicContact CD1-CE3 4.36Å; L672-W678 HydrophobicContact CD1-CG 4.02Å; L672-W678 HydrophobicContact CD1-CZ2 4.21Å; L672-W678 HydrophobicContact CG-CZ2 4.27Å; W678-L681 HydrophobicContact CE3-CD2 4.09Å; W678-L681 HydrophobicContact CZ3-CD2 4.17Å; W678-L682 VanDerWaalsContact O-CB 3.28Å; W678-L682 WeakPolarHBondContact O-CB 3.4Å; W678-L682 VanDerWaalsContact O-CG 3.27Å; W678-L682 WeakPolarHBondContact O-CG 3.46Å; W678-L682 PolarHBondContact O-N 2.95Å; W678-I721 HydrophobicContact CH2-CG2 4.42Å
679	D	88.8	Confident	89.4	Confident	46 Å²	46	44.1 Å²	44.1	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-39.7	174.1	-63.2	-91.5	0	0	0	112.8	Y433 S677 R683	Y433-D679 HydrophobicContact CD2-CB 4.21Å; Y433-D679 HydrophobicContact CE2-CB 3.97Å; S677-D679 PolarHBondContact O-N 3.31Å; S677-D679 VanDerWaalsContact O-N 3.13Å; D679-R683 VanDerWaalsContact O-CB 3.24Å; D679-R683 WeakPolarHBondContact O-CB 3.45Å; D679-R683 WeakPolarHBondContact O-CD 3.42Å; D679-R683 WeakPolarHBondContact O-CG 3.1Å; D679-R683 PolarHBondContact O-N 3.18Å
680	L	89.2	Confident	89.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71	-41.5	173.7	-71	172.3	0	0	0	111.5	Q430 V434 M437 W492 E676 S677 R683 R684	Q430-L680 HydrophobicContact CG-CD2 4.29Å; V434-L680 HydrophobicContact CG2-CD2 3.78Å; M437-L680 HydrophobicContact CG-CD1 3.69Å; M437-L680 HydrophobicContact SD-CD1 3.49Å; M437-L680 WeakPolarHBondContact SD-CD1 3.33Å; W492-L680 HydrophobicContact CZ2-CD2 4.48Å; E676-L680 HydrophobicContact CG-CB 4.18Å; S677-L680 WeakPolarHBondContact O-CA 3.35Å; S677-L680 PolarHBondContact O-N 3.08Å; S677-L680 WeakPolarHBondContact OG-CG 3.22Å; S677-L680 PolarHBondContact OG-N 3.37Å; L680-R683 CarbonylContact O-C 3.58Å; L680-R683 PolarHBondContact O-N 3.33Å; L680-R684 WeakPolarHBondContact O-CB 3.28Å; L680-R684 PolarHBondContact O-N 3.35Å
681	L	92.6	Very high	90	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-45.7	174.4	175.7	62.7	0	0	0	112.2	L657 L672 E676 S677 W678 R684 W685 I721	L657-L681 HydrophobicContact CD1-CD1 4.31Å; L657-L681 HydrophobicContact CD1-CG 4.13Å; L657-L681 HydrophobicContact CD2-CD2 3.59Å; L657-L681 HydrophobicContact CD2-CG 3.97Å; L672-L681 HydrophobicContact CD1-CB 4.42Å; L672-L681 HydrophobicContact CD1-CD2 3.68Å; L672-L681 HydrophobicContact CD2-CD2 3.75Å; L672-L681 HydrophobicContact CG-CD2 4.39Å; E676-L681 HydrophobicContact CG-CB 4.5Å; S677-L681 PolarHBondContact O-N 3.24Å; W678-L681 HydrophobicContact CE3-CD2 4.09Å; W678-L681 HydrophobicContact CZ3-CD2 4.17Å; L681-R684 WeakPolarHBondContact O-CB 3.38Å; L681-R684 PolarHBondContact O-N 3.06Å; L681-W685 PolarHBondContact O-N 3.03Å; L681-W685 VanDerWaalsContact O-N 3.13Å; L681-I721 HydrophobicContact CD1-CD1 4.01Å; L681-I721 HydrophobicContact CD2-CD1 4.37Å; L681-I721 HydrophobicContact CD2-CG2 4.15Å
682	L	92.8	Very high	90.4	Very high	47 Å²	47	35.4 Å²	35.4	25%	0.246	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-44.8	174.1	-80.5	168.3	0	0	0	112.1	L657 A658 W678 R684 G686	L657-L682 HydrophobicContact CB-CD2 3.72Å; A658-L682 HydrophobicContact CB-CD2 4.3Å; W678-L682 VanDerWaalsContact O-CB 3.28Å; W678-L682 WeakPolarHBondContact O-CB 3.4Å; W678-L682 VanDerWaalsContact O-CG 3.27Å; W678-L682 WeakPolarHBondContact O-CG 3.46Å; W678-L682 PolarHBondContact O-N 2.95Å; L682-R684 VanDerWaalsContact C-N 3.27Å; L682-R684 PolarHBondContact O-N 3.47Å; L682-G686 WeakPolarHBondContact O-CA 3.49Å; L682-G686 PolarHBondContact O-N 3.07Å
683	R	91	Very high	90.6	Very high	58 Å²	58	38.8 Å²	38.8	22%	0.219	20%	0.202	C	C	.	.	H	α-helix	trans	-69.8	-24.1	178.2	-68.4	163.5	-165.2	-111.7	10.5	112.1	P426 E429 D679 L680 K687	P426-R683 PolarHBondContact O-NH1 2.94Å; E429-R683 IonicContact OE2-CZ 3.75Å; E429-R683 IonicContact OE2-NH1 3.14Å; E429-R683 IonicContact OE2-NH2 2.75Å; E429-R683 PolarHBondContact OE2-NH2 3.4Å; D679-R683 VanDerWaalsContact O-CB 3.24Å; D679-R683 WeakPolarHBondContact O-CB 3.45Å; D679-R683 WeakPolarHBondContact O-CD 3.42Å; D679-R683 WeakPolarHBondContact O-CG 3.1Å; D679-R683 PolarHBondContact O-N 3.18Å; L680-R683 CarbonylContact O-C 3.58Å; L680-R683 PolarHBondContact O-N 3.33Å; R683-K687 WeakPolarHBondContact O-CB 3.38Å; R683-K687 PolarHBondContact O-N 3.19Å
684	R	93.6	Very high	90.7	Very high	9 Å²	9	38.9 Å²	38.9	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-70.6	-59.4	174.6	176.8	159	69.6	79.1	-10.4	110.9	E676 L680 L681 L682 K687 L688 N710 D714	E676-R684 IonicContact OE1-CZ 3.41Å; E676-R684 IonicContact OE1-NE 2.65Å; E676-R684 PolarHBondContact OE1-NE 3.43Å; E676-R684 IonicContact OE1-NH2 2.65Å; E676-R684 IonicContact OE2-CZ 3.64Å; E676-R684 IonicContact OE2-NE 2.74Å; E676-R684 IonicContact OE2-NH2 3.38Å; E676-R684 PolarHBondContact OE2-NH2 2.84Å; L680-R684 WeakPolarHBondContact O-CB 3.28Å; L680-R684 PolarHBondContact O-N 3.35Å; L681-R684 WeakPolarHBondContact O-CB 3.38Å; L681-R684 PolarHBondContact O-N 3.06Å; L682-R684 VanDerWaalsContact C-N 3.27Å; L682-R684 PolarHBondContact O-N 3.47Å; R684-K687 PolarHBondContact O-N 2.91Å; R684-L688 PolarHBondContact O-N 3.24Å; R684-L688 VanDerWaalsContact O-N 3.15Å; R684-N710 WeakPolarHBondContact CD-OD1 3.34Å; R684-N710 WeakPolarHBondContact CG-OD1 3.38Å; R684-N710 PolarHBondContact NH1-OD1 3.15Å; R684-D714 IonicContact CZ-OD1 3.7Å; R684-D714 IonicContact CZ-OD2 3.69Å; R684-D714 IonicContact NH1-OD1 3.74Å; R684-D714 IonicContact NH1-OD2 3.58Å; R684-D714 PolarHBondContact NH1-OD2 3.4Å; R684-D714 IonicContact NH2-OD1 2.64Å; R684-D714 PolarHBondContact NH2-OD1 3.07Å; R684-D714 IonicContact NH2-OD2 3.49Å; R684-D714 PolarHBondContact NH2-OD2 3.24Å
685	W	96	Very high	91.1	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-70	-43.7	179.3	-78.1	110	0	0	0	113.5	V650 L653 L657 L681 K687 L688 L689 I707 N710 I711 D714 F730	V650-W685 HydrophobicContact CG1-CE3 4.2Å; V650-W685 HydrophobicContact CG2-CZ3 4.08Å; L653-W685 HydrophobicContact CD2-CD2 3.8Å; L653-W685 VanDerWaalsContact CD2-CE2 3.47Å; L653-W685 HydrophobicContact CD2-CE3 4.31Å; L653-W685 HydrophobicContact CD2-CG 4.27Å; L653-W685 HydrophobicContact CD2-CH2 4.22Å; L653-W685 HydrophobicContact CD2-CZ2 3.68Å; L657-W685 HydrophobicContact CD1-CB 3.99Å; L657-W685 VanDerWaalsContact CD1-CD1 3.44Å; L657-W685 HydrophobicContact CD1-CG 3.89Å; L681-W685 PolarHBondContact O-N 3.03Å; L681-W685 VanDerWaalsContact O-N 3.13Å; W685-K687 PolarHBondContact O-N 3.47Å; W685-L688 HydrophobicContact CE3-CB 4.49Å; W685-L688 HydrophobicContact CE3-CD1 3.86Å; W685-L688 HydrophobicContact CZ3-CD1 3.89Å; W685-L688 PolarHBondContact O-N 3.24Å; W685-L689 PolarHBondContact O-N 3.48Å; W685-I707 HydrophobicContact CZ3-CG2 4.43Å; W685-N710 HydrophobicContact CH2-CB 3.66Å; W685-N710 HydrophobicContact CZ2-CB 3.68Å; W685-N710 HydrophobicContact CZ3-CB 4.3Å; W685-I711 HydrophobicContact CH2-CB 4.1Å; W685-D714 WeakPolarHBondContact CZ2-OD2 3.36Å; W685-D714 PolarHBondContact NE1-OD2 3.38Å; W685-F730 HydrophobicContact CH2-CE1 4.31Å; W685-F730 AromaticContact CH2-CZ 3.79Å; W685-F730 HydrophobicContact CH2-CZ 3.79Å; W685-F730 AromaticContact CZ3-CZ 3.82Å; W685-F730 HydrophobicContact CZ3-CZ 3.82Å
686	G	94.4	Very high	91.6	Very high	33 Å²	33	43.1 Å²	43.1	34%	0.34	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-27.4	176.4	0	0	0	0	0	113.4	L682 K690	L682-G686 WeakPolarHBondContact O-CA 3.49Å; L682-G686 PolarHBondContact O-N 3.07Å; G686-K690 PolarHBondContact O-N 3.05Å
687	K	91.9	Very high	91.6	Very high	73 Å²	73	43.1 Å²	43.1	32%	0.317	22%	0.224	S	C	.	.	H	α-helix	trans	-71.7	-45.7	168.5	-176.4	-171.4	173.2	-154.2	0	111.4	K364 R683 R684 W685 L689 K690 D691	K364-K687 PolarHBondContact O-NZ 2.79Å; R683-K687 WeakPolarHBondContact O-CB 3.38Å; R683-K687 PolarHBondContact O-N 3.19Å; R684-K687 PolarHBondContact O-N 2.91Å; W685-K687 PolarHBondContact O-N 3.47Å; K687-L689 VanDerWaalsContact C-N 3.3Å; K687-L689 PolarHBondContact O-N 3.07Å; K687-K690 CarbonylContact O-C 3.14Å; K687-K690 PolarHBondContact O-N 2.7Å; K687-K690 VanDerWaalsContact O-N 3.1Å; K687-D691 WeakPolarHBondContact CE-OD2 3.47Å; K687-D691 IonicContact NZ-OD2 3.32Å; K687-D691 VanDerWaalsContact O-CB 3.26Å; K687-D691 WeakPolarHBondContact O-CB 3.32Å; K687-D691 PolarHBondContact O-N 2.63Å
688	L	95.1	Very high	91.8	Very high	13 Å²	13	48.5 Å²	48.5	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-42.5	177.3	-70.8	170.4	0	0	0	111.5	R684 W685 K690 D691 F692 D706 I707 N710	R684-L688 PolarHBondContact O-N 3.24Å; R684-L688 VanDerWaalsContact O-N 3.15Å; W685-L688 HydrophobicContact CE3-CB 4.49Å; W685-L688 HydrophobicContact CE3-CD1 3.86Å; W685-L688 HydrophobicContact CZ3-CD1 3.89Å; W685-L688 PolarHBondContact O-N 3.24Å; L688-K690 VanDerWaalsContact C-N 3.29Å; L688-K690 PolarHBondContact O-N 3.44Å; L688-D691 PolarHBondContact O-N 3.21Å; L688-F692 WeakPolarHBondContact O-CB 3.3Å; L688-F692 PolarHBondContact O-N 3.17Å; L688-D706 HydrophobicContact CD2-CB 4.06Å; L688-I707 HydrophobicContact CB-CG1 4.39Å; L688-I707 HydrophobicContact CD1-CG1 4.33Å; L688-I707 HydrophobicContact CD2-CG1 4.14Å; L688-N710 HydrophobicContact CD1-CB 3.94Å
689	L	95.5	Very high	92	Very high	40 Å²	40	48.8 Å²	48.8	21%	0.209	25%	0.246	C	C	.	.	H	α-helix	trans	-54.7	-42.7	173.3	-176.4	60.8	0	0	0	112.5	F647 V650 R651 W685 K687	F647-L689 HydrophobicContact CD2-CD1 4.19Å; F647-L689 HydrophobicContact CE1-CD1 4.22Å; F647-L689 HydrophobicContact CE2-CD1 3.7Å; F647-L689 WeakPolarHBondContact CE2-O 3.22Å; F647-L689 HydrophobicContact CZ-CD1 3.71Å; V650-L689 HydrophobicContact CG1-CB 3.86Å; V650-L689 HydrophobicContact CG1-CD1 4.11Å; R651-L689 HydrophobicContact CB-CD1 3.76Å; R651-L689 HydrophobicContact CB-CD2 4.48Å; R651-L689 HydrophobicContact CG-CD1 4.29Å; R651-L689 HydrophobicContact CG-CD2 4.4Å; W685-L689 PolarHBondContact O-N 3.48Å; K687-L689 VanDerWaalsContact C-N 3.3Å; K687-L689 PolarHBondContact O-N 3.07Å
690	K	93.6	Very high	92.3	Very high	113 Å²	113	49.5 Å²	49.5	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-79.3	-34.5	179.6	177.9	171.2	179	169.4	0	114.1	S466 G686 K687 L688	S466-K690 WeakPolarHBondContact O-CE 3.26Å; S466-K690 PolarHBondContact O-NZ 2.81Å; S466-K690 WeakPolarHBondContact OG-CE 3.42Å; G686-K690 PolarHBondContact O-N 3.05Å; K687-K690 CarbonylContact O-C 3.14Å; K687-K690 PolarHBondContact O-N 2.7Å; K687-K690 VanDerWaalsContact O-N 3.1Å; L688-K690 VanDerWaalsContact C-N 3.29Å; L688-K690 PolarHBondContact O-N 3.44Å
691	D	93.2	Very high	92.5	Very high	50 Å²	50	50.2 Å²	50.2	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-80.3	-24.3	-177.4	-95.6	42.6	0	0	0	111.7	K687 L688 K703	K687-D691 WeakPolarHBondContact CE-OD2 3.47Å; K687-D691 IonicContact NZ-OD2 3.32Å; K687-D691 VanDerWaalsContact O-CB 3.26Å; K687-D691 WeakPolarHBondContact O-CB 3.32Å; K687-D691 PolarHBondContact O-N 2.63Å; L688-D691 PolarHBondContact O-N 3.21Å; D691-K703 HydrophobicContact CB-CD 3.91Å; D691-K703 HydrophobicContact CB-CG 4.32Å; D691-K703 VanDerWaalsContact O-CE 3.28Å; D691-K703 WeakPolarHBondContact O-CE 3.44Å; D691-K703 IonicContact OD2-NZ 2.85Å; D691-K703 PolarHBondContact OD2-NZ 3.41Å
692	F	96	Very high	92.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-84.1	-23.8	-173	-179	-138.4	0	0	0	114.4	C643 L646 F647 L688 Y699 D700 K703 I704 I707	C643-F692 HydrophobicContact CB-CZ 4.03Å; L646-F692 HydrophobicContact CB-CE1 4.16Å; L646-F692 HydrophobicContact CB-CZ 4.48Å; L646-F692 HydrophobicContact CD2-CE1 4.06Å; L646-F692 HydrophobicContact CD2-CZ 3.9Å; L646-F692 HydrophobicContact CG-CE1 4.08Å; L646-F692 HydrophobicContact CG-CZ 4.39Å; F647-F692 HydrophobicContact CB-CD1 4.14Å; F647-F692 HydrophobicContact CB-CE1 4Å; F647-F692 HydrophobicContact CD2-CD1 4.09Å; L688-F692 WeakPolarHBondContact O-CB 3.3Å; L688-F692 PolarHBondContact O-N 3.17Å; F692-Y699 HydrophobicContact CD1-CD1 4.46Å; F692-Y699 HydrophobicContact CE1-CD1 4.13Å; F692-Y699 HydrophobicContact CE2-CD1 4.3Å; F692-Y699 HydrophobicContact CZ-CD1 4.04Å; F692-Y699 CarbonylContact O-C 3.51Å; F692-Y699 VanDerWaalsContact O-CA 3.31Å; F692-Y699 WeakPolarHBondContact O-CA 3.48Å; F692-D700 PolarHBondContact O-N 3.38Å; F692-K703 HydrophobicContact CB-CB 4.23Å; F692-K703 HydrophobicContact CB-CG 4.23Å; F692-K703 HydrophobicContact CD2-CB 3.96Å; F692-K703 HydrophobicContact CD2-CG 4.38Å; F692-K703 HydrophobicContact CG-CB 4.44Å; F692-I704 HydrophobicContact CE2-CD1 4.32Å; F692-I704 HydrophobicContact CE2-CG1 3.84Å; F692-I704 HydrophobicContact CZ-CG1 4.29Å; F692-I707 HydrophobicContact CB-CD1 4.11Å; F692-I707 HydrophobicContact CD1-CD1 3.74Å; F692-I707 HydrophobicContact CD2-CD1 3.98Å; F692-I707 HydrophobicContact CE1-CD1 4.13Å; F692-I707 HydrophobicContact CE2-CD1 4.36Å; F692-I707 HydrophobicContact CG-CD1 3.68Å; F692-I707 HydrophobicContact CZ-CD1 4.43Å
693	R	94.4	Very high	92.5	Very high	90 Å²	90	50.1 Å²	50.1	34%	0.34	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-130.3	131.9	177.1	-160.8	-178.5	-174.6	-155.2	-4.6	111.5	F647 G697 E698 Y699	F647-R693 HydrophobicContact CD2-CB 3.72Å; F647-R693 HydrophobicContact CE2-CB 3.48Å; F647-R693 VanDerWaalsContact CE2-CB 3.48Å; F647-R693 HydrophobicContact CE2-CG 4.38Å; F647-R693 HydrophobicContact CZ-CB 4.37Å; R693-G697 PolarHBondContact NE-O 2.9Å; R693-G697 PolarHBondContact NH2-O 3.18Å; R693-E698 CarbonylContact C-O 3.51Å; R693-E698 VanDerWaalsContact CA-O 3.29Å; R693-E698 WeakPolarHBondContact CA-O 3.31Å; R693-E698 VanDerWaalsContact CG-O 3.31Å; R693-E698 WeakPolarHBondContact CG-O 3.39Å; R693-Y699 HydrophobicContact CB-CD1 4.12Å; R693-Y699 HydrophobicContact CB-CE1 4.18Å; R693-Y699 HydrophobicContact CG-CD1 3.92Å; R693-Y699 HydrophobicContact CG-CE1 3.78Å
694	S	90.8	Very high	92.8	Very high	38 Å²	38	47.4 Å²	47.4	27%	0.266	25%	0.246	S	C	.	.			trans	-75.4	161.1	178.6	90.6	0	0	0	0	111.7	E696 G697 E698	S694-E696 WeakPolarHBondContact CB-OE2 3.41Å; S694-E696 PolarHBondContact O-N 3.3Å; S694-E696 PolarHBondContact OG-N 3.06Å; S694-E696 PolarHBondContact OG-OE2 3.48Å; S694-G697 PolarHBondContact O-N 3.48Å; S694-G697 PolarHBondContact OG-N 3.01Å; S694-E698 PolarHBondContact N-O 3Å; S694-E698 PolarHBondContact OG-N 2.91Å
695	P	86.4	Confident	92.7	Very high	76 Å²	76	48.4 Å²	48.4	49%	0.494	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.6	171.9	-24.7	35.1	0	0	0	113.7	G697	P695-G697 VanDerWaalsContact C-N 3.25Å; P695-G697 PolarHBondContact O-N 3.28Å
696	E	86.1	Confident	92.6	Very high	153 Å²	153	49.3 Å²	49.3	72%	0.715	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.2	177.8	-50.5	73.3	-157.3	0	0	112.4	S694	S694-E696 WeakPolarHBondContact CB-OE2 3.41Å; S694-E696 PolarHBondContact O-N 3.3Å; S694-E696 PolarHBondContact OG-N 3.06Å; S694-E696 PolarHBondContact OG-OE2 3.48Å
697	G	85.9	Confident	92.7	Very high	12 Å²	12	47.8 Å²	47.8	12%	0.124	24%	0.243	C	C	.	.	S	Bend	trans	101.4	-1.5	171.5	0	0	0	0	0	115.9	R693 S694 P695	R693-G697 PolarHBondContact NE-O 2.9Å; R693-G697 PolarHBondContact NH2-O 3.18Å; S694-G697 PolarHBondContact O-N 3.48Å; S694-G697 PolarHBondContact OG-N 3.01Å; P695-G697 VanDerWaalsContact C-N 3.25Å; P695-G697 PolarHBondContact O-N 3.28Å
698	E	90.9	Very high	92.9	Very high	146 Å²	146	45 Å²	45	68%	0.682	23%	0.231	S	C	*	.			trans	-73.5	158	175.5	-63.1	-172.3	162.6	0	0	112.2	R693 S694	R693-E698 CarbonylContact C-O 3.51Å; R693-E698 VanDerWaalsContact CA-O 3.29Å; R693-E698 WeakPolarHBondContact CA-O 3.31Å; R693-E698 VanDerWaalsContact CG-O 3.31Å; R693-E698 WeakPolarHBondContact CG-O 3.39Å; S694-E698 PolarHBondContact N-O 3Å; S694-E698 PolarHBondContact OG-N 2.91Å
699	Y	94.7	Very high	92.8	Very high	26 Å²	26	46 Å²	46	10%	0.102	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-105.7	127.6	-179	-63.9	-75.1	0	0	0	112.4	Y640 C643 G644 F647 F692 R693 L701	Y640-Y699 HydrophobicContact CD2-CD2 4.06Å; Y640-Y699 HydrophobicContact CD2-CE2 4.01Å; Y640-Y699 HydrophobicContact CE1-CE2 4.28Å; Y640-Y699 AromaticContact CE2-CD2 3.89Å; Y640-Y699 HydrophobicContact CE2-CD2 3.89Å; Y640-Y699 AromaticContact CE2-CE2 3.67Å; Y640-Y699 HydrophobicContact CE2-CE2 3.67Å; Y640-Y699 HydrophobicContact CG-CE2 4.44Å; Y640-Y699 AromaticContact CZ-CE2 3.81Å; C643-Y699 HydrophobicContact CB-CD1 4.05Å; C643-Y699 HydrophobicContact CB-CD2 3.64Å; C643-Y699 HydrophobicContact CB-CE1 4.32Å; C643-Y699 HydrophobicContact CB-CE2 3.93Å; C643-Y699 HydrophobicContact CB-CG 3.72Å; G644-Y699 WeakPolarHBondContact CA-OH 3.44Å; F647-Y699 HydrophobicContact CB-CE1 3.96Å; F647-Y699 HydrophobicContact CD2-CE1 4.37Å; F647-Y699 HydrophobicContact CG-CE1 4.29Å; F692-Y699 HydrophobicContact CD1-CD1 4.46Å; F692-Y699 HydrophobicContact CE1-CD1 4.13Å; F692-Y699 HydrophobicContact CE2-CD1 4.3Å; F692-Y699 HydrophobicContact CZ-CD1 4.04Å; F692-Y699 CarbonylContact O-C 3.51Å; F692-Y699 VanDerWaalsContact O-CA 3.31Å; F692-Y699 WeakPolarHBondContact O-CA 3.48Å; R693-Y699 HydrophobicContact CB-CD1 4.12Å; R693-Y699 HydrophobicContact CB-CE1 4.18Å; R693-Y699 HydrophobicContact CG-CD1 3.92Å; R693-Y699 HydrophobicContact CG-CE1 3.78Å; Y699-L701 PolarHBondContact O-N 2.88Å; Y699-L701 VanDerWaalsContact O-N 3.08Å
700	D	93.5	Very high	92.8	Very high	62 Å²	62	44.7 Å²	44.7	33%	0.332	23%	0.229	S	C	.	.			trans	-79.8	91.6	172.2	-174.4	-10.9	0	0	0	109.7	F692 S702 K703	F692-D700 PolarHBondContact O-N 3.38Å; D700-S702 VanDerWaalsContact CG-OG 3.29Å; D700-S702 PolarHBondContact O-N 3.49Å; D700-S702 VanDerWaalsContact OD1-CB 3.23Å; D700-S702 WeakPolarHBondContact OD1-CB 3.31Å; D700-S702 PolarHBondContact OD1-N 3.12Å; D700-S702 PolarHBondContact OD1-OG 2.86Å; D700-S702 PolarHBondContact OD2-OG 3.03Å; D700-K703 HydrophobicContact CB-CG 4.11Å; D700-K703 VanDerWaalsContact CG-CE 3.42Å; D700-K703 WeakPolarHBondContact O-CG 3.36Å; D700-K703 PolarHBondContact O-N 2.77Å; D700-K703 WeakPolarHBondContact OD2-CE 3.3Å; D700-K703 IonicContact OD2-NZ 3.59Å; D700-K703 PolarHBondContact OD2-NZ 2.71Å
701	L	93.8	Very high	92.8	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.079	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-54.6	-22.7	178.5	-56.8	178.1	0	0	0	113.3	N604 M607 Y699 K703 I704 I741	N604-L701 HydrophobicContact CB-CD1 4.18Å; N604-L701 WeakPolarHBondContact OD1-CD1 3.33Å; M607-L701 HydrophobicContact CB-CD1 3.53Å; M607-L701 HydrophobicContact CB-CD2 4.47Å; Y699-L701 PolarHBondContact O-N 2.88Å; Y699-L701 VanDerWaalsContact O-N 3.08Å; L701-K703 PolarHBondContact O-N 3.41Å; L701-K703 VanDerWaalsContact O-N 3.14Å; L701-I704 HydrophobicContact CB-CD1 4.27Å; L701-I704 HydrophobicContact CD2-CD1 3.67Å; L701-I704 WeakPolarHBondContact O-CB 3.26Å; L701-I704 PolarHBondContact O-N 2.6Å; L701-I704 VanDerWaalsContact O-N 3.1Å; L701-I741 HydrophobicContact CB-CD1 4.34Å
702	S	91.5	Very high	92.7	Very high	35 Å²	35	37.1 Å²	37.1	25%	0.245	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-68.7	-7.4	176.3	78.4	0	0	0	0	113.9	D700	D700-S702 VanDerWaalsContact CG-OG 3.29Å; D700-S702 PolarHBondContact O-N 3.49Å; D700-S702 VanDerWaalsContact OD1-CB 3.23Å; D700-S702 WeakPolarHBondContact OD1-CB 3.31Å; D700-S702 PolarHBondContact OD1-N 3.12Å; D700-S702 PolarHBondContact OD1-OG 2.86Å; D700-S702 PolarHBondContact OD2-OG 3.03Å
703	K	94.4	Very high	92.6	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.043	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-88.8	-13.7	170.9	-47.2	-56.3	162.2	158.3	0	114	D691 F692 D700 L701 S705 D706 I707	D691-K703 HydrophobicContact CB-CD 3.91Å; D691-K703 HydrophobicContact CB-CG 4.32Å; D691-K703 VanDerWaalsContact O-CE 3.28Å; D691-K703 WeakPolarHBondContact O-CE 3.44Å; D691-K703 IonicContact OD2-NZ 2.85Å; D691-K703 PolarHBondContact OD2-NZ 3.41Å; F692-K703 HydrophobicContact CB-CB 4.23Å; F692-K703 HydrophobicContact CB-CG 4.23Å; F692-K703 HydrophobicContact CD2-CB 3.96Å; F692-K703 HydrophobicContact CD2-CG 4.38Å; F692-K703 HydrophobicContact CG-CB 4.44Å; D700-K703 HydrophobicContact CB-CG 4.11Å; D700-K703 VanDerWaalsContact CG-CE 3.42Å; D700-K703 WeakPolarHBondContact O-CG 3.36Å; D700-K703 PolarHBondContact O-N 2.77Å; D700-K703 WeakPolarHBondContact OD2-CE 3.3Å; D700-K703 IonicContact OD2-NZ 3.59Å; D700-K703 PolarHBondContact OD2-NZ 2.71Å; L701-K703 PolarHBondContact O-N 3.41Å; L701-K703 VanDerWaalsContact O-N 3.14Å; K703-S705 VanDerWaalsContact C-N 3.32Å; K703-S705 PolarHBondContact O-N 3.13Å; K703-D706 CarbonylContact O-C 3.54Å; K703-D706 PolarHBondContact O-N 3.21Å; K703-D706 VanDerWaalsContact O-N 3.13Å; K703-I707 HydrophobicContact CB-CD1 4.15Å; K703-I707 HydrophobicContact CB-CG1 4.46Å; K703-I707 WeakPolarHBondContact O-CB 3.43Å; K703-I707 VanDerWaalsContact O-CG1 3.28Å; K703-I707 WeakPolarHBondContact O-CG1 3.41Å; K703-I707 PolarHBondContact O-N 3.45Å
704	I	96.2	Very high	92.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-41	-173	-71.7	167.9	0	0	0	111.2	L646 F692 L701 I707 Y708 L737 A738 I741	L646-I704 HydrophobicContact CD2-CG1 4.35Å; F692-I704 HydrophobicContact CE2-CD1 4.32Å; F692-I704 HydrophobicContact CE2-CG1 3.84Å; F692-I704 HydrophobicContact CZ-CG1 4.29Å; L701-I704 HydrophobicContact CB-CD1 4.27Å; L701-I704 HydrophobicContact CD2-CD1 3.67Å; L701-I704 WeakPolarHBondContact O-CB 3.26Å; L701-I704 PolarHBondContact O-N 2.6Å; L701-I704 VanDerWaalsContact O-N 3.1Å; I704-I707 PolarHBondContact O-N 3.42Å; I704-Y708 WeakPolarHBondContact O-CB 3.33Å; I704-Y708 PolarHBondContact O-N 2.89Å; I704-L737 HydrophobicContact CD1-CB 4.36Å; I704-L737 HydrophobicContact CG2-CB 3.66Å; I704-A738 HydrophobicContact CG2-CB 4.27Å; I704-I741 HydrophobicContact CB-CD1 4.24Å; I704-I741 HydrophobicContact CD1-CD1 3.5Å; I704-I741 VanDerWaalsContact CD1-CD1 3.5Å; I704-I741 HydrophobicContact CG1-CD1 4.44Å; I704-I741 HydrophobicContact CG2-CD1 4.26Å
705	S	92.7	Very high	92.5	Very high	30 Å²	30	33.4 Å²	33.4	21%	0.21	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-43.8	171.9	52	0	0	0	0	112.7	K703 I707 Y708 D709	K703-S705 VanDerWaalsContact C-N 3.32Å; K703-S705 PolarHBondContact O-N 3.13Å; S705-I707 VanDerWaalsContact C-N 3.28Å; S705-I707 PolarHBondContact O-N 2.66Å; S705-Y708 PolarHBondContact O-N 3.22Å; S705-D709 WeakPolarHBondContact O-CB 3.19Å; S705-D709 PolarHBondContact O-N 2.95Å
706	D	93.8	Very high	92.6	Very high	20 Å²	20	30.8 Å²	30.8	11%	0.107	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-37.6	173.6	-78.6	7	0	0	0	110.6	K364 L688 K703 N710 S1417	K364-D706 IonicContact NZ-OD2 3.44Å; K364-D706 PolarHBondContact NZ-OD2 3.07Å; L688-D706 HydrophobicContact CD2-CB 4.06Å; K703-D706 CarbonylContact O-C 3.54Å; K703-D706 PolarHBondContact O-N 3.21Å; K703-D706 VanDerWaalsContact O-N 3.13Å; D706-N710 PolarHBondContact O-N 2.93Å; D706-N710 PolarHBondContact O-ND2 2.69Å; D706-S1417 WeakPolarHBondContact OD1-CB 3.38Å; D706-S1417 PolarHBondContact OD1-OG 2.85Å
707	I	97.4	Very high	92.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-70.9	-48.5	177.1	-68.9	164.3	0	0	0	111.2	L646 V650 W685 L688 F692 K703 I704 S705 D709 N710 I711 F730	L646-I707 HydrophobicContact CD1-CG2 4.02Å; L646-I707 HydrophobicContact CD2-CD1 4.24Å; L646-I707 HydrophobicContact CD2-CG2 4.33Å; L646-I707 HydrophobicContact CG-CG2 4.37Å; V650-I707 HydrophobicContact CG2-CD1 4.41Å; V650-I707 HydrophobicContact CG2-CG2 4.12Å; W685-I707 HydrophobicContact CZ3-CG2 4.43Å; L688-I707 HydrophobicContact CB-CG1 4.39Å; L688-I707 HydrophobicContact CD1-CG1 4.33Å; L688-I707 HydrophobicContact CD2-CG1 4.14Å; F692-I707 HydrophobicContact CB-CD1 4.11Å; F692-I707 HydrophobicContact CD1-CD1 3.74Å; F692-I707 HydrophobicContact CD2-CD1 3.98Å; F692-I707 HydrophobicContact CE1-CD1 4.13Å; F692-I707 HydrophobicContact CE2-CD1 4.36Å; F692-I707 HydrophobicContact CG-CD1 3.68Å; F692-I707 HydrophobicContact CZ-CD1 4.43Å; K703-I707 HydrophobicContact CB-CD1 4.15Å; K703-I707 HydrophobicContact CB-CG1 4.46Å; K703-I707 WeakPolarHBondContact O-CB 3.43Å; K703-I707 VanDerWaalsContact O-CG1 3.28Å; K703-I707 WeakPolarHBondContact O-CG1 3.41Å; K703-I707 PolarHBondContact O-N 3.45Å; I704-I707 PolarHBondContact O-N 3.42Å; S705-I707 VanDerWaalsContact C-N 3.28Å; S705-I707 PolarHBondContact O-N 2.66Å; I707-D709 VanDerWaalsContact C-N 3.31Å; I707-D709 PolarHBondContact O-N 2.64Å; I707-N710 PolarHBondContact O-N 2.82Å; I707-I711 PolarHBondContact O-N 3.4Å; I707-F730 HydrophobicContact CG2-CE2 4.2Å
708	Y	95.1	Very high	93	Very high	16 Å²	16	24.7 Å²	24.7	6%	0.063	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-44.6	177.6	178.1	-115.8	0	0	0	111.5	I704 S705 N710 I711 K712 F731 A734 K735 A738 E855	I704-Y708 WeakPolarHBondContact O-CB 3.33Å; I704-Y708 PolarHBondContact O-N 2.89Å; S705-Y708 PolarHBondContact O-N 3.22Å; Y708-N710 VanDerWaalsContact C-N 3.26Å; Y708-N710 PolarHBondContact O-N 2.71Å; Y708-I711 WeakPolarHBondContact O-CG2 3.46Å; Y708-I711 PolarHBondContact O-N 2.82Å; Y708-K712 HydrophobicContact CE1-CD 3.95Å; Y708-K712 WeakPolarHBondContact O-CB 3.24Å; Y708-K712 PolarHBondContact O-N 3.32Å; Y708-F731 HydrophobicContact CE2-CD2 4.37Å; Y708-F731 AromaticContact CE2-CE2 3.71Å; Y708-F731 HydrophobicContact CE2-CE2 3.71Å; Y708-F731 AromaticContact CE2-CZ 3.96Å; Y708-F731 HydrophobicContact CE2-CZ 3.96Å; Y708-A734 HydrophobicContact CD2-CB 4.25Å; Y708-K735 HydrophobicContact CD2-CB 4.09Å; Y708-K735 HydrophobicContact CE2-CB 3.61Å; Y708-K735 HydrophobicContact CE2-CG 3.77Å; Y708-A738 HydrophobicContact CD1-CB 4.12Å; Y708-A738 HydrophobicContact CG-CB 4.04Å; Y708-E855 PolarHBondContact OH-OE2 3.35Å
709	D	92.3	Very high	92.9	Very high	34 Å²	34	21 Å²	21	18%	0.182	12%	0.117	C	C	.	.	H	α-helix	trans	-54.8	-40.1	172.7	-103.5	-20.3	0	0	0	113	R359 S705 I707 Y713	R359-D709 IonicContact CZ-OD1 3.62Å; R359-D709 IonicContact CZ-OD2 2.82Å; R359-D709 VanDerWaalsContact CZ-OD2 3.31Å; R359-D709 IonicContact NH1-OD1 2.79Å; R359-D709 PolarHBondContact NH1-OD1 2.9Å; R359-D709 IonicContact NH1-OD2 2.67Å; R359-D709 PolarHBondContact NH1-OD2 2.88Å; R359-D709 IonicContact NH2-OD1 3.78Å; R359-D709 PolarHBondContact NH2-OD1 3.29Å; R359-D709 IonicContact NH2-OD2 2.84Å; R359-D709 PolarHBondContact NH2-OD2 2.8Å; S705-D709 WeakPolarHBondContact O-CB 3.19Å; S705-D709 PolarHBondContact O-N 2.95Å; I707-D709 VanDerWaalsContact C-N 3.31Å; I707-D709 PolarHBondContact O-N 2.64Å; D709-Y713 VanDerWaalsContact O-CB 3.29Å; D709-Y713 WeakPolarHBondContact O-CB 3.37Å; D709-Y713 PolarHBondContact O-N 3.32Å; D709-Y713 VanDerWaalsContact O-N 3.1Å
710	N	95.2	Very high	92.6	Very high	12 Å²	12	21.9 Å²	21.9	6%	0.064	13%	0.133	C	C	.	.	H	α-helix	trans	-76.2	-45.3	-176.4	-86.1	-100.3	0	0	0	112.1	R684 W685 L688 D706 I707 Y708 Y713 D714	R684-N710 WeakPolarHBondContact CD-OD1 3.34Å; R684-N710 WeakPolarHBondContact CG-OD1 3.38Å; R684-N710 PolarHBondContact NH1-OD1 3.15Å; W685-N710 HydrophobicContact CH2-CB 3.66Å; W685-N710 HydrophobicContact CZ2-CB 3.68Å; W685-N710 HydrophobicContact CZ3-CB 4.3Å; L688-N710 HydrophobicContact CD1-CB 3.94Å; D706-N710 PolarHBondContact O-N 2.93Å; D706-N710 PolarHBondContact O-ND2 2.69Å; I707-N710 PolarHBondContact O-N 2.82Å; Y708-N710 VanDerWaalsContact C-N 3.26Å; Y708-N710 PolarHBondContact O-N 2.71Å; N710-Y713 PolarHBondContact O-N 3.01Å; N710-D714 WeakPolarHBondContact O-CB 3.34Å; N710-D714 PolarHBondContact O-N 3.31Å
711	I	95	Very high	92.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.3	-36.4	176.8	-170.9	57	0	0	0	111.6	W685 I707 Y708 D714 L715 L722 V727 F730 F731 A734	W685-I711 HydrophobicContact CH2-CB 4.1Å; I707-I711 PolarHBondContact O-N 3.4Å; Y708-I711 WeakPolarHBondContact O-CG2 3.46Å; Y708-I711 PolarHBondContact O-N 2.82Å; I711-D714 PolarHBondContact O-N 3.26Å; I711-L715 WeakPolarHBondContact O-CB 3.37Å; I711-L715 PolarHBondContact O-N 2.71Å; I711-L722 HydrophobicContact CD1-CD1 4.11Å; I711-L722 HydrophobicContact CD1-CD2 3.77Å; I711-V727 HydrophobicContact CD1-CG2 4.48Å; I711-F730 HydrophobicContact CB-CZ 4.41Å; I711-F730 HydrophobicContact CD1-CD1 3.72Å; I711-F730 HydrophobicContact CD1-CE1 3.72Å; I711-F730 HydrophobicContact CD1-CG 4.43Å; I711-F730 HydrophobicContact CD1-CZ 4.4Å; I711-F730 HydrophobicContact CG1-CD1 4.08Å; I711-F730 HydrophobicContact CG1-CE1 4.16Å; I711-F730 HydrophobicContact CG1-CG 4.32Å; I711-F730 HydrophobicContact CG1-CZ 4.45Å; I711-F731 HydrophobicContact CG2-CD2 4.28Å; I711-A734 HydrophobicContact CG2-CB 4.04Å
712	K	91.4	Very high	92.4	Very high	3 Å²	3	19 Å²	19	1%	0.013	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-44	175.1	-176	168.8	177.3	172.5	0	112	Y708 Q716 F731 E855 N857 L893	Y708-K712 HydrophobicContact CE1-CD 3.95Å; Y708-K712 WeakPolarHBondContact O-CB 3.24Å; Y708-K712 PolarHBondContact O-N 3.32Å; K712-Q716 WeakPolarHBondContact O-CG 3.34Å; K712-Q716 PolarHBondContact O-N 3.13Å; K712-F731 HydrophobicContact CB-CE2 4.22Å; K712-F731 HydrophobicContact CG-CE2 4.42Å; K712-E855 IonicContact NZ-OE1 2.76Å; K712-E855 PolarHBondContact NZ-OE1 3.49Å; K712-E855 IonicContact NZ-OE2 3.99Å; K712-E855 PolarHBondContact NZ-OE2 3.39Å; K712-N857 PolarHBondContact NZ-OD1 2.82Å; K712-L893 HydrophobicContact CG-CD1 4.23Å
713	Y	92.6	Very high	92.2	Very high	11 Å²	11	20 Å²	20	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-64.3	-48	173.2	167.7	-103.5	0	0	0	112.3	T360 P361 Y673 D709 N710 L715 Q716 H717 N718	T360-Y713 HydrophobicContact CG2-CE2 3.96Å; P361-Y713 VanDerWaalsContact CD-CD1 3.49Å; P361-Y713 HydrophobicContact CG-CD1 3.65Å; P361-Y713 HydrophobicContact CG-CD2 4.34Å; P361-Y713 HydrophobicContact CG-CE1 4.36Å; P361-Y713 HydrophobicContact CG-CG 3.62Å; Y673-Y713 HydrophobicContact CD1-CE2 4.15Å; Y673-Y713 WeakPolarHBondContact CD1-OH 3.35Å; D709-Y713 VanDerWaalsContact O-CB 3.29Å; D709-Y713 WeakPolarHBondContact O-CB 3.37Å; D709-Y713 PolarHBondContact O-N 3.32Å; D709-Y713 VanDerWaalsContact O-N 3.1Å; N710-Y713 PolarHBondContact O-N 3.01Å; Y713-L715 VanDerWaalsContact C-N 3.33Å; Y713-L715 PolarHBondContact O-N 3.34Å; Y713-Q716 PolarHBondContact O-N 2.91Å; Y713-H717 HydrophobicContact CD2-CB 4.25Å; Y713-H717 AromaticContact CD2-CD2 3.39Å; Y713-H717 WeakPolarHBondContact CD2-CD2 3.49Å; Y713-H717 HydrophobicContact CE2-CB 3.99Å; Y713-H717 AromaticContact CE2-CD2 3.74Å; Y713-H717 AromaticContact CE2-CG 3.93Å; Y713-H717 WeakPolarHBondContact O-CB 3.44Å; Y713-H717 PolarHBondContact O-CD2 2.86Å; Y713-H717 PolarHBondContact O-N 3.46Å; Y713-N718 WeakPolarHBondContact CE1-ND2 3.35Å
714	D	93.5	Very high	91.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.2	-32.4	-177	-75.9	-35.2	0	0	0	112.5	R684 W685 N710 I711 N718 S719 I721	R684-D714 IonicContact CZ-OD1 3.7Å; R684-D714 IonicContact CZ-OD2 3.69Å; R684-D714 IonicContact NH1-OD1 3.74Å; R684-D714 IonicContact NH1-OD2 3.58Å; R684-D714 PolarHBondContact NH1-OD2 3.4Å; R684-D714 IonicContact NH2-OD1 2.64Å; R684-D714 PolarHBondContact NH2-OD1 3.07Å; R684-D714 IonicContact NH2-OD2 3.49Å; R684-D714 PolarHBondContact NH2-OD2 3.24Å; W685-D714 WeakPolarHBondContact CZ2-OD2 3.36Å; W685-D714 PolarHBondContact NE1-OD2 3.38Å; N710-D714 WeakPolarHBondContact O-CB 3.34Å; N710-D714 PolarHBondContact O-N 3.31Å; I711-D714 PolarHBondContact O-N 3.26Å; D714-N718 HydrophobicContact CB-CB 4.3Å; D714-N718 CarbonylContact O-C 3.31Å; D714-N718 WeakPolarHBondContact O-CA 3.47Å; D714-N718 PolarHBondContact O-N 2.76Å; D714-N718 PolarHBondContact OD1-ND2 3.16Å; D714-S719 WeakPolarHBondContact O-CA 3.39Å; D714-S719 PolarHBondContact O-N 3.04Å; D714-I721 HydrophobicContact CB-CD1 3.94Å
715	L	91.1	Very high	91.2	Very high	39 Å²	39	33.5 Å²	33.5	20%	0.204	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-35.2	173.2	-177.5	54.6	0	0	0	112.5	I711 Y713 L722 V727 F731 L893	I711-L715 WeakPolarHBondContact O-CB 3.37Å; I711-L715 PolarHBondContact O-N 2.71Å; Y713-L715 VanDerWaalsContact C-N 3.33Å; Y713-L715 PolarHBondContact O-N 3.34Å; L715-L722 HydrophobicContact CB-CD1 4.14Å; L715-L722 HydrophobicContact CD1-CD1 4.14Å; L715-V727 HydrophobicContact CD1-CG2 3.94Å; L715-F731 HydrophobicContact CD2-CD2 4.08Å; L715-F731 HydrophobicContact CD2-CG 4.3Å; L715-L893 HydrophobicContact CD2-CB 4.39Å; L715-L893 HydrophobicContact CD2-CD1 4.1Å; L715-L893 HydrophobicContact CD2-CD2 4.37Å; L715-L893 HydrophobicContact CG-CD1 4.47Å; L715-L893 HydrophobicContact CG-CD2 4.35Å
716	Q	86.8	Confident	90.8	Very high	21 Å²	21	35 Å²	35	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-81.3	-38.3	178.2	-72.5	178	-18.3	0	0	113.6	K712 Y713 L893 P1465	K712-Q716 WeakPolarHBondContact O-CG 3.34Å; K712-Q716 PolarHBondContact O-N 3.13Å; Y713-Q716 PolarHBondContact O-N 2.91Å; Q716-L893 HydrophobicContact CG-CD1 3.99Å; Q716-L893 HydrophobicContact CG-CD2 4.18Å; Q716-P1465 WeakPolarHBondContact O-CG 3.32Å
717	H	89.6	Confident	90.6	Very high	34 Å²	34	35.1 Å²	35.1	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-118.1	-20.9	-165.2	-62.3	-79.8	0	0	0	115	D358 Y673 Y713	D358-H717 IonicContact OD1-NE2 3.89Å; D358-H717 IonicContact OD2-CD2 2.95Å; D358-H717 IonicContact OD2-CE1 2.82Å; D358-H717 PolarHBondContact OD2-CE1 2.87Å; D358-H717 IonicContact OD2-NE2 2.71Å; D358-H717 PolarHBondContact OD2-NE2 2.87Å; Y673-H717 HydrophobicContact CD2-CB 3.96Å; Y673-H717 AromaticContact CD2-ND1 3.56Å; Y673-H717 AromaticContact CE2-ND1 3.55Å; Y673-H717 HydrophobicContact CG-CB 3.91Å; Y713-H717 HydrophobicContact CD2-CB 4.25Å; Y713-H717 AromaticContact CD2-CD2 3.39Å; Y713-H717 WeakPolarHBondContact CD2-CD2 3.49Å; Y713-H717 HydrophobicContact CE2-CB 3.99Å; Y713-H717 AromaticContact CE2-CD2 3.74Å; Y713-H717 AromaticContact CE2-CG 3.93Å; Y713-H717 WeakPolarHBondContact O-CB 3.44Å; Y713-H717 PolarHBondContact O-CD2 2.86Å; Y713-H717 PolarHBondContact O-N 3.46Å
718	N	91.8	Very high	90.3	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	22%	0.221	C	C	.	.			trans	-130.6	22.7	-174.4	-69.6	-41.6	0	0	0	112.9	L672 Y673 Y713 D714 G720 I721	L672-N718 WeakPolarHBondContact CA-OD1 3.27Å; L672-N718 HydrophobicContact CD2-CB 4.38Å; Y673-N718 PolarHBondContact N-OD1 2.73Å; Y713-N718 WeakPolarHBondContact CE1-ND2 3.35Å; D714-N718 HydrophobicContact CB-CB 4.3Å; D714-N718 CarbonylContact O-C 3.31Å; D714-N718 WeakPolarHBondContact O-CA 3.47Å; D714-N718 PolarHBondContact O-N 2.76Å; D714-N718 PolarHBondContact OD1-ND2 3.16Å; N718-G720 PolarHBondContact O-N 2.8Å; N718-I721 HydrophobicContact CB-CD1 4.1Å; N718-I721 HydrophobicContact CB-CG1 4.45Å; N718-I721 WeakPolarHBondContact O-CG1 3.45Å; N718-I721 PolarHBondContact O-N 3.46Å
719	S	88.5	Confident	90.1	Very high	69 Å²	69	41.8 Å²	41.8	48%	0.483	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-48.2	-33.4	-163.5	59.6	0	0	0	0	115.6	D714 I721 L722	D714-S719 WeakPolarHBondContact O-CA 3.39Å; D714-S719 PolarHBondContact O-N 3.04Å; S719-I721 PolarHBondContact O-N 3.19Å; S719-I721 VanDerWaalsContact O-N 3.07Å; S719-L722 WeakPolarHBondContact O-CB 3.49Å; S719-L722 PolarHBondContact O-N 2.93Å
720	G	88.2	Confident	90.2	Very high	43 Å²	43	40.6 Å²	40.6	44%	0.443	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-59.8	-12.4	175.4	0	0	0	0	0	116.4	I670 N718	I670-G720 VanDerWaalsContact CD1-O 3.24Å; I670-G720 WeakPolarHBondContact CD1-O 3.34Å; N718-G720 PolarHBondContact O-N 2.8Å
721	I	92.5	Very high	90.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-78.2	-21.8	170.9	74.2	-178.3	0	0	0	112.9	R656 L657 I670 L672 W678 L681 D714 N718 S719	R656-I721 WeakPolarHBondContact CD-O 3.42Å; R656-I721 PolarHBondContact NE-O 2.99Å; L657-I721 HydrophobicContact CD2-CB 3.96Å; L657-I721 HydrophobicContact CD2-CD1 4.25Å; L657-I721 HydrophobicContact CD2-CG2 4.23Å; I670-I721 HydrophobicContact CG2-CG2 3.86Å; L672-I721 HydrophobicContact CD2-CG2 3.76Å; W678-I721 HydrophobicContact CH2-CG2 4.42Å; L681-I721 HydrophobicContact CD1-CD1 4.01Å; L681-I721 HydrophobicContact CD2-CD1 4.37Å; L681-I721 HydrophobicContact CD2-CG2 4.15Å; D714-I721 HydrophobicContact CB-CD1 3.94Å; N718-I721 HydrophobicContact CB-CD1 4.1Å; N718-I721 HydrophobicContact CB-CG1 4.45Å; N718-I721 WeakPolarHBondContact O-CG1 3.45Å; N718-I721 PolarHBondContact O-N 3.46Å; S719-I721 PolarHBondContact O-N 3.19Å; S719-I721 VanDerWaalsContact O-N 3.07Å
722	L	91.7	Very high	90.1	Very high	18 Å²	18	41.7 Å²	41.7	9%	0.094	23%	0.232	C	C	.	.	S	Bend	trans	-86.6	177.2	-170	-55.3	172.8	0	0	0	111.4	L653 R656 I711 L715 S719 V727	L653-L722 HydrophobicContact CD1-CD2 3.99Å; L653-L722 HydrophobicContact CD2-CD2 3.96Å; R656-L722 PolarHBondContact NE-O 3.16Å; R656-L722 PolarHBondContact NH2-O 3.01Å; I711-L722 HydrophobicContact CD1-CD1 4.11Å; I711-L722 HydrophobicContact CD1-CD2 3.77Å; L715-L722 HydrophobicContact CB-CD1 4.14Å; L715-L722 HydrophobicContact CD1-CD1 4.14Å; S719-L722 WeakPolarHBondContact O-CB 3.49Å; S719-L722 PolarHBondContact O-N 2.93Å; L722-V727 HydrophobicContact CB-CB 4.42Å; L722-V727 HydrophobicContact CB-CG2 4.2Å; L722-V727 HydrophobicContact CD1-CG2 3.68Å; L722-V727 HydrophobicContact CG-CG2 4.41Å
723	L	87.5	Confident	90.3	Very high	56 Å²	56	41.6 Å²	41.6	29%	0.293	23%	0.232	S	C	.	.			trans	-118.2	121.9	170.9	-86.6	166.2	0	0	0	108.8	S725 E726 V727	L723-S725 PolarHBondContact O-N 3.42Å; L723-S725 VanDerWaalsContact O-N 3.16Å; L723-E726 HydrophobicContact CB-CB 4.15Å; L723-E726 HydrophobicContact CB-CG 4.22Å; L723-E726 HydrophobicContact CD1-CG 4.49Å; L723-E726 WeakPolarHBondContact CD1-OE2 3.47Å; L723-E726 PolarHBondContact O-N 3.05Å; L723-V727 VanDerWaalsContact O-CB 3.31Å; L723-V727 WeakPolarHBondContact O-CB 3.42Å; L723-V727 WeakPolarHBondContact O-CG1 3.17Å; L723-V727 PolarHBondContact O-N 2.86Å
724	E	81.7	Confident	90.4	Very high	189 Å²	189	41.1 Å²	41.1	88%	0.883	23%	0.23	S	C	*	.	H	α-helix	trans	-57.6	-30.9	-179.7	-65.1	176.9	154.5	0	0	112.4	E726	E724-E726 VanDerWaalsContact C-N 3.34Å; E724-E726 PolarHBondContact O-N 2.82Å
725	S	86.1	Confident	90.5	Very high	105 Å²	105	41.3 Å²	41.3	73%	0.734	23%	0.231	S	C	*	.	H	α-helix	trans	-72.3	-19.1	176.7	54.4	0	0	0	0	115.2	L723	L723-S725 PolarHBondContact O-N 3.42Å; L723-S725 VanDerWaalsContact O-N 3.16Å
726	E	85.8	Confident	90.7	Very high	62 Å²	62	39.8 Å²	39.8	29%	0.29	22%	0.223	S	C	.	.	H	α-helix	trans	-116.6	-29.7	-173.6	-65.2	173.9	179.8	0	0	112.3	L723 E724 Q728 D729 F730	L723-E726 HydrophobicContact CB-CB 4.15Å; L723-E726 HydrophobicContact CB-CG 4.22Å; L723-E726 HydrophobicContact CD1-CG 4.49Å; L723-E726 WeakPolarHBondContact CD1-OE2 3.47Å; L723-E726 PolarHBondContact O-N 3.05Å; E724-E726 VanDerWaalsContact C-N 3.34Å; E724-E726 PolarHBondContact O-N 2.82Å; E726-Q728 VanDerWaalsContact C-N 3.29Å; E726-Q728 PolarHBondContact O-N 3.05Å; E726-D729 PolarHBondContact O-N 2.86Å; E726-F730 PolarHBondContact O-N 2.92Å; E726-F730 VanDerWaalsContact O-N 3.09Å
727	V	89.7	Confident	91.1	Very high	21 Å²	21	38.8 Å²	38.8	13%	0.127	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-32.9	-168.4	68.6	0	0	0	0	113.7	I711 L715 L722 L723 F731	I711-V727 HydrophobicContact CD1-CG2 4.48Å; L715-V727 HydrophobicContact CD1-CG2 3.94Å; L722-V727 HydrophobicContact CB-CB 4.42Å; L722-V727 HydrophobicContact CB-CG2 4.2Å; L722-V727 HydrophobicContact CD1-CG2 3.68Å; L722-V727 HydrophobicContact CG-CG2 4.41Å; L723-V727 VanDerWaalsContact O-CB 3.31Å; L723-V727 WeakPolarHBondContact O-CB 3.42Å; L723-V727 WeakPolarHBondContact O-CG1 3.17Å; L723-V727 PolarHBondContact O-N 2.86Å; V727-F731 WeakPolarHBondContact O-CB 3.35Å; V727-F731 PolarHBondContact O-N 3.34Å
728	Q	89.4	Confident	91.4	Very high	96 Å²	96	37.3 Å²	37.3	45%	0.449	21%	0.212	S	C	.	.	H	α-helix	trans	-71.2	-46	-178.8	-172.8	62.9	15.7	0	0	112.2	E726 F731 M732	E726-Q728 VanDerWaalsContact C-N 3.29Å; E726-Q728 PolarHBondContact O-N 3.05Å; Q728-F731 PolarHBondContact O-N 3.44Å; Q728-M732 WeakPolarHBondContact O-CB 3.29Å; Q728-M732 VanDerWaalsContact O-CG 3.25Å; Q728-M732 WeakPolarHBondContact O-CG 3.23Å; Q728-M732 PolarHBondContact O-N 3.01Å
729	D	91.8	Very high	91.5	Very high	61 Å²	61	37.9 Å²	37.9	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-68.4	-38.6	176	-175.6	68.3	0	0	0	110.9	Y635 R645 H649 E726 M732 C733	Y635-D729 PolarHBondContact OH-OD1 3.02Å; R645-D729 IonicContact NH1-OD1 2.71Å; R645-D729 PolarHBondContact NH1-OD1 2.84Å; R645-D729 IonicContact NH1-OD2 3.32Å; H649-D729 IonicContact CD2-OD2 3.55Å; H649-D729 IonicContact CE1-OD2 2.85Å; H649-D729 IonicContact NE2-OD2 3.67Å; H649-D729 PolarHBondContact NE2-OD2 2.77Å; E726-D729 PolarHBondContact O-N 2.86Å; D729-M732 PolarHBondContact O-N 2.91Å; D729-C733 WeakPolarHBondContact O-CB 3.23Å; D729-C733 PolarHBondContact O-N 2.94Å
730	F	95.1	Very high	91.8	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.035	19%	0.193	C	C	.	.	H	α-helix	trans	-59.8	-50.2	174.2	-175.5	-170.3	0	0	0	111.6	L646 H649 V650 L653 W685 I707 I711 E726 A734	L646-F730 HydrophobicContact CD1-CD2 3.81Å; L646-F730 HydrophobicContact CD1-CE2 3.67Å; H649-F730 HydrophobicContact CB-CB 4.02Å; H649-F730 HydrophobicContact CB-CD1 4.04Å; H649-F730 HydrophobicContact CB-CD2 3.5Å; H649-F730 VanDerWaalsContact CB-CD2 3.5Å; H649-F730 HydrophobicContact CB-CE1 4.38Å; H649-F730 HydrophobicContact CB-CE2 3.91Å; H649-F730 HydrophobicContact CB-CG 3.59Å; H649-F730 HydrophobicContact CB-CZ 4.33Å; H649-F730 AromaticContact CG-CG 3.89Å; V650-F730 HydrophobicContact CG2-CE2 3.89Å; V650-F730 HydrophobicContact CG2-CZ 3.8Å; L653-F730 HydrophobicContact CB-CE1 4.34Å; L653-F730 HydrophobicContact CD2-CE1 3.85Å; W685-F730 HydrophobicContact CH2-CE1 4.31Å; W685-F730 AromaticContact CH2-CZ 3.79Å; W685-F730 HydrophobicContact CH2-CZ 3.79Å; W685-F730 AromaticContact CZ3-CZ 3.82Å; W685-F730 HydrophobicContact CZ3-CZ 3.82Å; I707-F730 HydrophobicContact CG2-CE2 4.2Å; I711-F730 HydrophobicContact CB-CZ 4.41Å; I711-F730 HydrophobicContact CD1-CD1 3.72Å; I711-F730 HydrophobicContact CD1-CE1 3.72Å; I711-F730 HydrophobicContact CD1-CG 4.43Å; I711-F730 HydrophobicContact CD1-CZ 4.4Å; I711-F730 HydrophobicContact CG1-CD1 4.08Å; I711-F730 HydrophobicContact CG1-CE1 4.16Å; I711-F730 HydrophobicContact CG1-CG 4.32Å; I711-F730 HydrophobicContact CG1-CZ 4.45Å; E726-F730 PolarHBondContact O-N 2.92Å; E726-F730 VanDerWaalsContact O-N 3.09Å; F730-A734 VanDerWaalsContact O-CB 3.3Å; F730-A734 WeakPolarHBondContact O-CB 3.29Å; F730-A734 PolarHBondContact O-N 2.89Å
731	F	93.3	Very high	92.2	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-46.4	178.6	179.6	-97.6	0	0	0	111.9	Y708 I711 K712 L715 V727 Q728 A734 K735 L893	Y708-F731 HydrophobicContact CE2-CD2 4.37Å; Y708-F731 AromaticContact CE2-CE2 3.71Å; Y708-F731 HydrophobicContact CE2-CE2 3.71Å; Y708-F731 AromaticContact CE2-CZ 3.96Å; Y708-F731 HydrophobicContact CE2-CZ 3.96Å; I711-F731 HydrophobicContact CG2-CD2 4.28Å; K712-F731 HydrophobicContact CB-CE2 4.22Å; K712-F731 HydrophobicContact CG-CE2 4.42Å; L715-F731 HydrophobicContact CD2-CD2 4.08Å; L715-F731 HydrophobicContact CD2-CG 4.3Å; V727-F731 WeakPolarHBondContact O-CB 3.35Å; V727-F731 PolarHBondContact O-N 3.34Å; Q728-F731 PolarHBondContact O-N 3.44Å; F731-A734 PolarHBondContact O-N 2.97Å; F731-K735 HydrophobicContact CE1-CD 4.2Å; F731-K735 WeakPolarHBondContact O-CB 3.39Å; F731-K735 PolarHBondContact O-N 3.37Å; F731-L893 HydrophobicContact CE1-CB 4.38Å; F731-L893 HydrophobicContact CE2-CD1 4.12Å; F731-L893 HydrophobicContact CZ-CB 4.18Å; F731-L893 HydrophobicContact CZ-CD1 4.17Å
732	M	93.2	Very high	92.2	Very high	35 Å²	35	34.3 Å²	34.3	17%	0.172	18%	0.181	C	C	.	.	H	α-helix	trans	-69.9	-36.2	-178.5	-67.3	-58.5	-72.1	0	0	112.9	Y635 Q728 D729 K735 S736 C894	Y635-M732 HydrophobicContact CE1-CB 4.47Å; Q728-M732 WeakPolarHBondContact O-CB 3.29Å; Q728-M732 VanDerWaalsContact O-CG 3.25Å; Q728-M732 WeakPolarHBondContact O-CG 3.23Å; Q728-M732 PolarHBondContact O-N 3.01Å; D729-M732 PolarHBondContact O-N 2.91Å; M732-K735 HydrophobicContact SD-CD 4.45Å; M732-S736 WeakPolarHBondContact O-CB 3.5Å; M732-S736 PolarHBondContact O-N 2.81Å; M732-S736 PolarHBondContact O-OG 3.37Å; M732-C894 HydrophobicContact SD-CB 4.31Å
733	C	95.5	Very high	92.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-46.5	173	-173.3	0	0	0	0	111.4	D729 L737	D729-C733 WeakPolarHBondContact O-CB 3.23Å; D729-C733 PolarHBondContact O-N 2.94Å; C733-L737 WeakPolarHBondContact O-CG 3.03Å; C733-L737 PolarHBondContact O-N 3.43Å
734	A	96.3	Very high	92.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-44.3	175.1	0	0	0	0	0	112.1	L646 Y708 I711 F730 F731 A738	L646-A734 HydrophobicContact CD1-CB 3.75Å; Y708-A734 HydrophobicContact CD2-CB 4.25Å; I711-A734 HydrophobicContact CG2-CB 4.04Å; F730-A734 VanDerWaalsContact O-CB 3.3Å; F730-A734 WeakPolarHBondContact O-CB 3.29Å; F730-A734 PolarHBondContact O-N 2.89Å; F731-A734 PolarHBondContact O-N 2.97Å; A734-A738 WeakPolarHBondContact O-CB 3.17Å; A734-A738 PolarHBondContact O-N 2.88Å; A734-A738 VanDerWaalsContact O-N 3.11Å
735	K	94.4	Very high	93	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.022	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-52.5	179.1	-170.5	-166.9	-179.7	-53.7	0	111.3	Y708 F731 M732 L737 A738 D739 S854	Y708-K735 HydrophobicContact CD2-CB 4.09Å; Y708-K735 HydrophobicContact CE2-CB 3.61Å; Y708-K735 HydrophobicContact CE2-CG 3.77Å; F731-K735 HydrophobicContact CE1-CD 4.2Å; F731-K735 WeakPolarHBondContact O-CB 3.39Å; F731-K735 PolarHBondContact O-N 3.37Å; M732-K735 HydrophobicContact SD-CD 4.45Å; K735-L737 VanDerWaalsContact C-N 3.3Å; K735-L737 PolarHBondContact O-N 3.1Å; K735-A738 CarbonylContact O-C 3.43Å; K735-A738 WeakPolarHBondContact O-CA 3.37Å; K735-A738 WeakPolarHBondContact O-CB 3.37Å; K735-A738 PolarHBondContact O-N 3.36Å; K735-D739 IonicContact NZ-OD1 2.81Å; K735-D739 PolarHBondContact NZ-OD1 2.94Å; K735-D739 IonicContact NZ-OD2 3.8Å; K735-D739 PolarHBondContact NZ-OD2 2.69Å; K735-D739 VanDerWaalsContact O-CG 3.23Å; K735-D739 PolarHBondContact O-N 2.73Å; K735-S854 VanDerWaalsContact NZ-CB 3.34Å; K735-S854 PolarHBondContact NZ-OG 3.27Å
736	S	95.1	Very high	93.3	Very high	6 Å²	6	20.3 Å²	20.3	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-65.5	-33.6	-174.2	-53.5	0	0	0	0	112.4	Y635 M732 I740	Y635-S736 WeakPolarHBondContact CD1-OG 3.45Å; M732-S736 WeakPolarHBondContact O-CB 3.5Å; M732-S736 PolarHBondContact O-N 2.81Å; M732-S736 PolarHBondContact O-OG 3.37Å; S736-I740 WeakPolarHBondContact O-CD1 3.34Å; S736-I740 WeakPolarHBondContact O-CG1 3.44Å; S736-I740 PolarHBondContact O-N 2.64Å
737	L	96.8	Very high	93.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.1	-36.7	171.4	-72.6	168.2	0	0	0	112.2	M607 V636 A642 L646 I704 C733 K735 I741	M607-L737 HydrophobicContact CE-CD2 3.86Å; V636-L737 HydrophobicContact CG1-CD2 3.94Å; V636-L737 HydrophobicContact CG2-CD2 3.87Å; V636-L737 HydrophobicContact CG2-CG 4.06Å; A642-L737 HydrophobicContact CB-CD1 4.09Å; A642-L737 HydrophobicContact CB-CD2 4.1Å; A642-L737 HydrophobicContact CB-CG 4.34Å; L646-L737 HydrophobicContact CB-CD1 4.4Å; L646-L737 HydrophobicContact CD2-CD1 3.9Å; I704-L737 HydrophobicContact CD1-CB 4.36Å; I704-L737 HydrophobicContact CG2-CB 3.66Å; C733-L737 WeakPolarHBondContact O-CG 3.03Å; C733-L737 PolarHBondContact O-N 3.43Å; K735-L737 VanDerWaalsContact C-N 3.3Å; K735-L737 PolarHBondContact O-N 3.1Å; L737-I741 WeakPolarHBondContact O-CG1 3.28Å; L737-I741 PolarHBondContact O-N 3.07Å
738	A	95.3	Very high	93.9	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.033	9%	0.085	C	C	.	.	H	α-helix	trans	-70.7	-39.7	175.4	0	0	0	0	0	112.9	I704 Y708 A734 K735 I740 I741 V742	I704-A738 HydrophobicContact CG2-CB 4.27Å; Y708-A738 HydrophobicContact CD1-CB 4.12Å; Y708-A738 HydrophobicContact CG-CB 4.04Å; A734-A738 WeakPolarHBondContact O-CB 3.17Å; A734-A738 PolarHBondContact O-N 2.88Å; A734-A738 VanDerWaalsContact O-N 3.11Å; K735-A738 CarbonylContact O-C 3.43Å; K735-A738 WeakPolarHBondContact O-CA 3.37Å; K735-A738 WeakPolarHBondContact O-CB 3.37Å; K735-A738 PolarHBondContact O-N 3.36Å; A738-I740 PolarHBondContact O-N 2.98Å; A738-I741 PolarHBondContact O-N 3.29Å; A738-V742 HydrophobicContact CB-CG2 4.43Å; A738-V742 WeakPolarHBondContact O-CB 3.43Å; A738-V742 WeakPolarHBondContact O-CG2 3.24Å; A738-V742 PolarHBondContact O-N 3.44Å
739	D	93.8	Very high	94.1	Very high	16 Å²	16	13.8 Å²	13.8	9%	0.086	7%	0.074	C	C	.	.	H	α-helix	trans	-59.6	-29.2	176.1	-68.2	-23.9	0	0	0	112	A632 K735 P743	A632-D739 HydrophobicContact CB-CB 3.91Å; K735-D739 IonicContact NZ-OD1 2.81Å; K735-D739 PolarHBondContact NZ-OD1 2.94Å; K735-D739 IonicContact NZ-OD2 3.8Å; K735-D739 PolarHBondContact NZ-OD2 2.69Å; K735-D739 VanDerWaalsContact O-CG 3.23Å; K735-D739 PolarHBondContact O-N 2.73Å; D739-P743 WeakPolarHBondContact O-CD 3Å; D739-P743 VanDerWaalsContact O-CG 3.28Å; D739-P743 WeakPolarHBondContact O-CG 3.18Å
740	I	95.6	Very high	94.1	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-78.9	-48.8	173.1	-60.2	162	0	0	0	111	M607 F613 L621 I629 A632 M633 V636 S736 A738 Q744	M607-I740 HydrophobicContact CE-CD1 4.33Å; M607-I740 HydrophobicContact CE-CG2 4.25Å; M607-I740 HydrophobicContact SD-CG2 3.89Å; F613-I740 HydrophobicContact CE2-CD1 4.44Å; F613-I740 HydrophobicContact CZ-CD1 4.46Å; L621-I740 HydrophobicContact CD1-CG2 4.48Å; I629-I740 HydrophobicContact CG2-CG1 4.46Å; I629-I740 HydrophobicContact CG2-CG2 4.47Å; A632-I740 HydrophobicContact CB-CD1 4.36Å; A632-I740 HydrophobicContact CB-CG1 3.8Å; M633-I740 HydrophobicContact CB-CD1 4.42Å; M633-I740 HydrophobicContact CG-CD1 3.77Å; M633-I740 HydrophobicContact CG-CG1 3.85Å; M633-I740 HydrophobicContact CG-CG2 4.31Å; V636-I740 HydrophobicContact CB-CD1 4.13Å; V636-I740 HydrophobicContact CG1-CD1 4.48Å; V636-I740 HydrophobicContact CG2-CD1 3.79Å; S736-I740 WeakPolarHBondContact O-CD1 3.34Å; S736-I740 WeakPolarHBondContact O-CG1 3.44Å; S736-I740 PolarHBondContact O-N 2.64Å; A738-I740 PolarHBondContact O-N 2.98Å; I740-Q744 WeakPolarHBondContact O-CG 3.37Å
741	I	94.7	Very high	94	Very high	10 Å²	10	18.3 Å²	18.3	5%	0.051	9%	0.092	C	C	.	.	H	α-helix	trans	-77.2	-51.3	-168.8	-66.2	169.8	0	0	0	111.6	I603 M607 L701 I704 L737 A738 Q744 E745	I603-I741 HydrophobicContact CG2-CG1 4.17Å; I603-I741 HydrophobicContact CG2-CG2 4.49Å; M607-I741 HydrophobicContact CE-CD1 4.22Å; M607-I741 HydrophobicContact CE-CG1 4.21Å; L701-I741 HydrophobicContact CB-CD1 4.34Å; I704-I741 HydrophobicContact CB-CD1 4.24Å; I704-I741 HydrophobicContact CD1-CD1 3.5Å; I704-I741 VanDerWaalsContact CD1-CD1 3.5Å; I704-I741 HydrophobicContact CG1-CD1 4.44Å; I704-I741 HydrophobicContact CG2-CD1 4.26Å; L737-I741 WeakPolarHBondContact O-CG1 3.28Å; L737-I741 PolarHBondContact O-N 3.07Å; A738-I741 PolarHBondContact O-N 3.29Å; I741-Q744 PolarHBondContact O-N 3.46Å; I741-Q744 VanDerWaalsContact O-N 3.16Å; I741-E745 HydrophobicContact CG2-CG 4.22Å; I741-E745 VanDerWaalsContact O-CG 3.28Å; I741-E745 WeakPolarHBondContact O-CG 3.36Å; I741-E745 PolarHBondContact O-N 3.33Å; I741-E745 VanDerWaalsContact O-N 3.1Å
742	V	93	Very high	94	Very high	25 Å²	25	18.3 Å²	18.3	15%	0.152	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63.4	-47.1	-168	179.2	0	0	0	0	112.8	A738 Q744 E745 Y746 E819	A738-V742 HydrophobicContact CB-CG2 4.43Å; A738-V742 WeakPolarHBondContact O-CB 3.43Å; A738-V742 WeakPolarHBondContact O-CG2 3.24Å; A738-V742 PolarHBondContact O-N 3.44Å; V742-Q744 PolarHBondContact O-N 3.09Å; V742-E745 PolarHBondContact O-N 3.22Å; V742-Y746 WeakPolarHBondContact O-CD2 3.28Å; V742-E819 WeakPolarHBondContact CG1-OE1 3.34Å
743	P	92.1	Very high	94	Very high	23 Å²	23	17.3 Å²	17.3	15%	0.149	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-66.9	-19	178.3	-22	36.3	0	0	0	114.1	I629 D739 K753	I629-P743 HydrophobicContact CD1-CB 4.05Å; D739-P743 WeakPolarHBondContact O-CD 3Å; D739-P743 VanDerWaalsContact O-CG 3.28Å; D739-P743 WeakPolarHBondContact O-CG 3.18Å; P743-K753 PolarHBondContact O-NZ 2.87Å
744	Q	93.9	Very high	93.9	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-92	-18.6	179.5	-54.8	-70	30	0	0	112.4	V599 I603 L621 I629 I740 I741 V742 Y746 G747 I748	V599-Q744 WeakPolarHBondContact CG1-O 3.38Å; I603-Q744 HydrophobicContact CD1-CB 3.63Å; I603-Q744 HydrophobicContact CG1-CB 4.18Å; L621-Q744 PolarHBondContact O-NE2 2.96Å; I629-Q744 HydrophobicContact CD1-CG 4.23Å; I740-Q744 WeakPolarHBondContact O-CG 3.37Å; I741-Q744 PolarHBondContact O-N 3.46Å; I741-Q744 VanDerWaalsContact O-N 3.16Å; V742-Q744 PolarHBondContact O-N 3.09Å; Q744-Y746 PolarHBondContact O-N 3.4Å; Q744-G747 CarbonylContact O-C 3.59Å; Q744-G747 PolarHBondContact O-N 2.9Å; Q744-G747 PolarHBondContact OE1-O 3Å; Q744-I748 HydrophobicContact CB-CG1 4.35Å
745	E	92.7	Very high	93.6	Very high	30 Å²	30	17.7 Å²	17.7	14%	0.14	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.5	171.6	-54.9	-151.7	137.4	0	0	113.3	K600 I741 V742	K600-E745 WeakPolarHBondContact CE-OE2 3.46Å; K600-E745 HydrophobicContact CG-CG 4.48Å; K600-E745 IonicContact NZ-OE1 3.89Å; K600-E745 PolarHBondContact NZ-OE1 3.1Å; K600-E745 IonicContact NZ-OE2 3.43Å; K600-E745 PolarHBondContact NZ-OE2 3.23Å; I741-E745 HydrophobicContact CG2-CG 4.22Å; I741-E745 VanDerWaalsContact O-CG 3.28Å; I741-E745 WeakPolarHBondContact O-CG 3.36Å; I741-E745 PolarHBondContact O-N 3.33Å; I741-E745 VanDerWaalsContact O-N 3.1Å; V742-E745 PolarHBondContact O-N 3.22Å
746	Y	91.9	Very high	93.5	Very high	20 Å²	20	17.5 Å²	17.5	8%	0.078	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	11.2	174.6	-59.5	-81.5	0	0	0	113.6	V742 Q744 K753 I760 H823	V742-Y746 WeakPolarHBondContact O-CD2 3.28Å; Q744-Y746 PolarHBondContact O-N 3.4Å; Y746-K753 WeakPolarHBondContact O-CA 3.44Å; Y746-I760 HydrophobicContact CD1-CD1 4.47Å; Y746-H823 HydrophobicContact CD1-CB 4.21Å; Y746-H823 HydrophobicContact CD2-CB 3.99Å; Y746-H823 AromaticContact CD2-CG 3.9Å; Y746-H823 AromaticContact CD2-ND1 3.82Å; Y746-H823 HydrophobicContact CE1-CB 4.24Å; Y746-H823 HydrophobicContact CE2-CB 4.01Å; Y746-H823 AromaticContact CE2-CG 3.76Å; Y746-H823 AromaticContact CE2-ND1 3.97Å; Y746-H823 HydrophobicContact CG-CB 4.09Å
747	G	93.4	Very high	93.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.			trans	119.4	152.6	-178.5	0	0	0	0	0	112.1	Q744 K753	Q744-G747 CarbonylContact O-C 3.59Å; Q744-G747 PolarHBondContact O-N 2.9Å; Q744-G747 PolarHBondContact OE1-O 3Å; G747-K753 VanDerWaalsContact C-CG 3.48Å; G747-K753 VanDerWaalsContact O-CE 3.26Å; G747-K753 WeakPolarHBondContact O-CE 3.09Å; G747-K753 VanDerWaalsContact O-CG 3.28Å; G747-K753 WeakPolarHBondContact O-CG 3.46Å; G747-K753 PolarHBondContact O-NZ 3.31Å
748	I	94.3	Very high	93	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.036	9%	0.09	C	C	.	.	S	Bend	trans	-100.3	-53	175.8	-77.1	164	0	0	0	111.2	V599 R602 I603 T620 L621 P623 Q744 E752 K753	V599-I748 HydrophobicContact CG1-CD1 3.85Å; V599-I748 HydrophobicContact CG1-CG1 3.77Å; R602-I748 HydrophobicContact CB-CD1 3.94Å; I603-I748 HydrophobicContact CG1-CD1 4.12Å; T620-I748 VanDerWaalsContact O-CG2 3.24Å; T620-I748 WeakPolarHBondContact O-CG2 3.47Å; L621-I748 HydrophobicContact CD2-CD1 4.21Å; P623-I748 HydrophobicContact CG-CG2 3.78Å; Q744-I748 HydrophobicContact CB-CG1 4.35Å; I748-E752 WeakPolarHBondContact CA-OE2 3.37Å; I748-E752 WeakPolarHBondContact CB-OE2 3.44Å; I748-E752 PolarHBondContact N-OE2 3.4Å; I748-K753 VanDerWaalsContact O-CE 3.29Å; I748-K753 WeakPolarHBondContact O-CE 3.04Å
749	T	93.9	Very high	92.7	Very high	36 Å²	36	21.7 Å²	21.7	22%	0.221	10%	0.104	C	C	.	.	S	Bend	trans	-81.8	167.2	179.2	88.5	0	0	0	0	112.3	P623 E751 E752 K753	P623-T749 HydrophobicContact CG-CG2 4.4Å; T749-E751 WeakPolarHBondContact CB-OE2 3.33Å; T749-E751 PolarHBondContact O-N 3.49Å; T749-E751 PolarHBondContact OG1-N 3.4Å; T749-E751 PolarHBondContact OG1-OE2 3.5Å; T749-E752 HydrophobicContact CG2-CG 4.23Å; T749-E752 PolarHBondContact N-OE2 3.41Å; T749-E752 PolarHBondContact O-N 2.91Å; T749-E752 PolarHBondContact OG1-N 2.69Å; T749-E752 VanDerWaalsContact OG1-N 3.15Å; T749-K753 VanDerWaalsContact O-CB 3.28Å; T749-K753 WeakPolarHBondContact O-CB 3.4Å; T749-K753 WeakPolarHBondContact O-CG 3.29Å; T749-K753 PolarHBondContact O-N 3Å
750	K	92.5	Very high	92.4	Very high	69 Å²	69	21.2 Å²	21.2	30%	0.3	10%	0.101	S	C	.	.	H	α-helix	trans	-55.6	-43	174.2	-179.5	-165.8	173.9	-169.4	0	110.9	L754 Y831 E833	K750-L754 HydrophobicContact CG-CD1 4.21Å; K750-L754 WeakPolarHBondContact O-CB 3.33Å; K750-L754 VanDerWaalsContact O-CG 3.32Å; K750-L754 WeakPolarHBondContact O-CG 3.41Å; K750-L754 PolarHBondContact O-N 3.24Å; K750-Y831 VanDerWaalsContact CE-O 3.24Å; K750-Y831 WeakPolarHBondContact CE-O 3.45Å; K750-Y831 HydrophobicContact CG-CD1 3.91Å; K750-Y831 HydrophobicContact CG-CG 3.83Å; K750-E833 IonicContact NZ-OE1 3.72Å; K750-E833 PolarHBondContact NZ-OE1 2.73Å
751	E	92.3	Very high	92.1	Very high	94 Å²	94	21.2 Å²	21.2	44%	0.439	10%	0.101	S	C	.	.	H	α-helix	trans	-71.2	-45.4	-176.9	-54.3	64.7	-135.9	0	0	111.3	T749 L754 V755 P1500	T749-E751 WeakPolarHBondContact CB-OE2 3.33Å; T749-E751 PolarHBondContact O-N 3.49Å; T749-E751 PolarHBondContact OG1-N 3.4Å; T749-E751 PolarHBondContact OG1-OE2 3.5Å; E751-L754 PolarHBondContact O-N 3.22Å; E751-V755 WeakPolarHBondContact O-CB 3.33Å; E751-V755 WeakPolarHBondContact O-CG2 3.33Å; E751-V755 PolarHBondContact O-N 3.39Å; E751-P1500 HydrophobicContact CB-CB 4.27Å; E751-P1500 HydrophobicContact CB-CG 3.96Å
752	E	93	Very high	91.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-46.2	175.3	-68.6	-171.3	153.3	0	0	111.2	R602 I748 T749 V755 I756 P1500 F1501	R602-E752 IonicContact CZ-OE1 3.79Å; R602-E752 IonicContact NH1-OE1 3.43Å; R602-E752 PolarHBondContact NH1-OE1 2.9Å; I748-E752 WeakPolarHBondContact CA-OE2 3.37Å; I748-E752 WeakPolarHBondContact CB-OE2 3.44Å; I748-E752 PolarHBondContact N-OE2 3.4Å; T749-E752 HydrophobicContact CG2-CG 4.23Å; T749-E752 PolarHBondContact N-OE2 3.41Å; T749-E752 PolarHBondContact O-N 2.91Å; T749-E752 PolarHBondContact OG1-N 2.69Å; T749-E752 VanDerWaalsContact OG1-N 3.15Å; E752-V755 PolarHBondContact O-N 2.99Å; E752-I756 WeakPolarHBondContact O-CG1 2.99Å; E752-I756 PolarHBondContact O-N 2.75Å; E752-P1500 HydrophobicContact CG-CG 3.76Å; E752-F1501 HydrophobicContact CB-CE2 4.31Å; E752-F1501 HydrophobicContact CB-CZ 3.76Å; E752-F1501 HydrophobicContact CG-CE1 3.85Å; E752-F1501 HydrophobicContact CG-CE2 4.06Å; E752-F1501 HydrophobicContact CG-CZ 3.47Å; E752-F1501 VanDerWaalsContact CG-CZ 3.47Å; E752-F1501 WeakPolarHBondContact OE1-CE1 3.45Å
753	K	93.7	Very high	91.7	Very high	14 Å²	14	22.9 Å²	22.9	6%	0.061	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-44.4	177.4	-73.2	-178.2	-169.7	-67	0	111.2	T624 P743 Y746 G747 I748 T749 G757 T827 Y831	T624-K753 HydrophobicContact CG2-CD 4.46Å; P743-K753 PolarHBondContact O-NZ 2.87Å; Y746-K753 WeakPolarHBondContact O-CA 3.44Å; G747-K753 VanDerWaalsContact C-CG 3.48Å; G747-K753 VanDerWaalsContact O-CE 3.26Å; G747-K753 WeakPolarHBondContact O-CE 3.09Å; G747-K753 VanDerWaalsContact O-CG 3.28Å; G747-K753 WeakPolarHBondContact O-CG 3.46Å; G747-K753 PolarHBondContact O-NZ 3.31Å; I748-K753 VanDerWaalsContact O-CE 3.29Å; I748-K753 WeakPolarHBondContact O-CE 3.04Å; T749-K753 VanDerWaalsContact O-CB 3.28Å; T749-K753 WeakPolarHBondContact O-CB 3.4Å; T749-K753 WeakPolarHBondContact O-CG 3.29Å; T749-K753 PolarHBondContact O-N 3Å; K753-G757 PolarHBondContact O-N 2.88Å; K753-T827 HydrophobicContact CB-CG2 3.63Å; K753-T827 VanDerWaalsContact O-CG2 3.31Å; K753-T827 WeakPolarHBondContact O-CG2 3.5Å; K753-Y831 HydrophobicContact CB-CD2 4.47Å; K753-Y831 HydrophobicContact CD-CE2 3.84Å
754	L	92.6	Very high	91.6	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-62.1	-45.6	174.5	-80.6	170.5	0	0	0	113.2	K750 E751 I756 G757 Q758 F1497	K750-L754 HydrophobicContact CG-CD1 4.21Å; K750-L754 WeakPolarHBondContact O-CB 3.33Å; K750-L754 VanDerWaalsContact O-CG 3.32Å; K750-L754 WeakPolarHBondContact O-CG 3.41Å; K750-L754 PolarHBondContact O-N 3.24Å; E751-L754 PolarHBondContact O-N 3.22Å; L754-I756 PolarHBondContact O-N 3.5Å; L754-G757 PolarHBondContact O-N 2.84Å; L754-Q758 WeakPolarHBondContact O-CB 3.25Å; L754-Q758 PolarHBondContact O-N 3.4Å; L754-F1497 HydrophobicContact CB-CD2 4.11Å; L754-F1497 HydrophobicContact CB-CE2 4.16Å; L754-F1497 HydrophobicContact CB-CG 4.45Å; L754-F1497 HydrophobicContact CD1-CD1 4.48Å; L754-F1497 HydrophobicContact CD1-CE1 4.04Å; L754-F1497 HydrophobicContact CD1-CE2 4.47Å; L754-F1497 HydrophobicContact CD1-CZ 4.04Å; L754-F1497 HydrophobicContact CD2-CE2 4.07Å; L754-F1497 HydrophobicContact CD2-CZ 4.12Å; L754-F1497 HydrophobicContact CG-CE2 4.48Å; L754-F1497 HydrophobicContact CG-CZ 4.48Å
755	V	91.6	Very high	91.5	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.024	11%	0.105	C	C	.	.	H	α-helix	trans	-64.1	-39.2	-179.8	167	0	0	0	0	111.8	E751 E752 R759 F1497 T1499 F1501	E751-V755 WeakPolarHBondContact O-CB 3.33Å; E751-V755 WeakPolarHBondContact O-CG2 3.33Å; E751-V755 PolarHBondContact O-N 3.39Å; E752-V755 PolarHBondContact O-N 2.99Å; V755-R759 WeakPolarHBondContact O-CG 3.44Å; V755-R759 PolarHBondContact O-N 3.12Å; V755-F1497 HydrophobicContact CG2-CB 3.79Å; V755-T1499 HydrophobicContact CG1-CG2 4.35Å; V755-F1501 HydrophobicContact CB-CE2 4.49Å; V755-F1501 HydrophobicContact CG1-CE2 4.21Å
756	I	91.5	Very high	91.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-71.6	-48.8	176.5	-69.4	166.9	0	0	0	110.4	Q596 V599 E752 L754 Q758 R759 I760	Q596-I756 HydrophobicContact CG-CD1 4.3Å; Q596-I756 HydrophobicContact CG-CG2 4.21Å; V599-I756 HydrophobicContact CG2-CD1 4.14Å; E752-I756 WeakPolarHBondContact O-CG1 2.99Å; E752-I756 PolarHBondContact O-N 2.75Å; L754-I756 PolarHBondContact O-N 3.5Å; I756-Q758 PolarHBondContact O-N 2.77Å; I756-R759 PolarHBondContact O-N 3.1Å; I756-I760 HydrophobicContact CG2-CD1 4.03Å; I756-I760 PolarHBondContact O-N 2.87Å
757	G	91.6	Very high	91.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-42.2	-179.6	0	0	0	0	0	113.3	K753 L754 R759 I760 C761	K753-G757 PolarHBondContact O-N 2.88Å; L754-G757 PolarHBondContact O-N 2.84Å; G757-R759 PolarHBondContact O-N 3.24Å; G757-I760 PolarHBondContact O-N 3.36Å; G757-C761 WeakPolarHBondContact O-CB 3.39Å; G757-C761 PolarHBondContact O-N 2.98Å
758	Q	89.8	Confident	91.2	Very high	13 Å²	13	28.4 Å²	28.4	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-44.9	174.9	178.9	174.5	65.6	0	0	111.7	L754 I756 I760 T762 L1492 H1495	L754-Q758 WeakPolarHBondContact O-CB 3.25Å; L754-Q758 PolarHBondContact O-N 3.4Å; I756-Q758 PolarHBondContact O-N 2.77Å; Q758-I760 VanDerWaalsContact C-N 3.34Å; Q758-I760 PolarHBondContact O-N 3.41Å; Q758-T762 VanDerWaalsContact O-CB 3.31Å; Q758-T762 WeakPolarHBondContact O-CB 3.38Å; Q758-T762 PolarHBondContact O-N 3.27Å; Q758-T762 PolarHBondContact O-OG1 3.15Å; Q758-L1492 PolarHBondContact NE2-O 2.99Å; Q758-H1495 PolarHBondContact NE2-O 3.46Å
759	R	87.9	Confident	90.9	Very high	85 Å²	85	28.8 Å²	28.8	32%	0.321	13%	0.132	S	C	.	.	H	α-helix	trans	-66.1	-34.2	-177.9	-77	179.2	176.1	-113.6	-2.7	113.2	D591 C592 Y595 V755 I756 G757	D591-R759 WeakPolarHBondContact O-CD 3.14Å; D591-R759 PolarHBondContact O-NH1 2.83Å; C592-R759 HydrophobicContact CB-CB 4.12Å; Y595-R759 VanDerWaalsContact CE2-CZ 3.41Å; Y595-R759 PolarHBondContact OH-NH2 2.62Å; V755-R759 WeakPolarHBondContact O-CG 3.44Å; V755-R759 PolarHBondContact O-N 3.12Å; I756-R759 PolarHBondContact O-N 3.1Å; G757-R759 PolarHBondContact O-N 3.24Å
760	I	88.7	Confident	90.5	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-76.4	-52	175.4	-65.4	165.8	0	0	0	110.2	C592 Y746 I756 G757 Q758 S824	C592-I760 HydrophobicContact CB-CD1 4.37Å; C592-I760 HydrophobicContact CB-CG1 4.03Å; Y746-I760 HydrophobicContact CD1-CD1 4.47Å; I756-I760 HydrophobicContact CG2-CD1 4.03Å; I756-I760 PolarHBondContact O-N 2.87Å; G757-I760 PolarHBondContact O-N 3.36Å; Q758-I760 VanDerWaalsContact C-N 3.34Å; Q758-I760 PolarHBondContact O-N 3.41Å; I760-S824 VanDerWaalsContact CD1-OG 3.3Å; I760-S824 WeakPolarHBondContact CD1-OG 3.4Å
761	C	89.9	Confident	90.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-90.9	-4	-168.3	-79.5	0	0	0	0	116.5	G757 L764 M765 H821 S824	G757-C761 WeakPolarHBondContact O-CB 3.39Å; G757-C761 PolarHBondContact O-N 2.98Å; C761-L764 PolarHBondContact O-N 2.9Å; C761-L764 VanDerWaalsContact O-N 3.1Å; C761-M765 HydrophobicContact CB-CE 4.24Å; C761-M765 HydrophobicContact CB-CG 4.24Å; C761-M765 HydrophobicContact CB-SD 4.48Å; C761-M765 WeakPolarHBondContact O-CG 3.2Å; C761-M765 PolarHBondContact O-N 3.25Å; C761-H821 PolarHBondContact SG-O 3.27Å; C761-S824 WeakPolarHBondContact SG-CB 3.43Å
762	T	89.5	Confident	89.6	Confident	26 Å²	26	21.6 Å²	21.6	16%	0.16	10%	0.103	C	C	.	.	H	α-helix	trans	-51.7	-45.5	180	-72.1	0	0	0	0	114.2	Q758 L764 M765 R766 T1493	Q758-T762 VanDerWaalsContact O-CB 3.31Å; Q758-T762 WeakPolarHBondContact O-CB 3.38Å; Q758-T762 PolarHBondContact O-N 3.27Å; Q758-T762 PolarHBondContact O-OG1 3.15Å; T762-L764 PolarHBondContact O-N 2.83Å; T762-M765 PolarHBondContact O-N 3.46Å; T762-R766 WeakPolarHBondContact O-CG 3.39Å; T762-R766 PolarHBondContact O-N 3.13Å; T762-T1493 HydrophobicContact CG2-CG2 4.43Å
763	P	88.6	Confident	88.6	Confident	45 Å²	45	27.2 Å²	27.2	29%	0.292	12%	0.124	S	C	.	.	H	α-helix	trans	-60.8	-44.6	176.9	-22.9	34.8	0	0	0	112.4	L585 K767	L585-P763 HydrophobicContact CD1-CB 4.19Å; L585-P763 WeakPolarHBondContact CD1-O 3.31Å; P763-K767 PolarHBondContact O-N 2.81Å
764	L	90.9	Very high	87	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-46.6	178.4	178.7	57.1	0	0	0	111.8	V353 L586 C761 T762 R766 K767 I768 Y815	V353-L764 HydrophobicContact CG1-CD2 3.95Å; V353-L764 HydrophobicContact CG2-CD2 4.29Å; L586-L764 HydrophobicContact CD2-CB 4.46Å; L586-L764 HydrophobicContact CD2-CD1 4.06Å; L586-L764 HydrophobicContact CD2-CD2 4.03Å; L586-L764 HydrophobicContact CD2-CG 4.41Å; C761-L764 PolarHBondContact O-N 2.9Å; C761-L764 VanDerWaalsContact O-N 3.1Å; T762-L764 PolarHBondContact O-N 2.83Å; L764-R766 VanDerWaalsContact C-N 3.34Å; L764-R766 PolarHBondContact O-N 3.5Å; L764-K767 CarbonylContact O-C 3.6Å; L764-K767 WeakPolarHBondContact O-CA 3.18Å; L764-K767 PolarHBondContact O-N 2.95Å; L764-I768 HydrophobicContact CD1-CD1 4.01Å; L764-I768 HydrophobicContact CD1-CG1 4.08Å; L764-I768 HydrophobicContact CG-CD1 3.88Å; L764-I768 HydrophobicContact CG-CG1 4.39Å; L764-I768 WeakPolarHBondContact O-CG1 3.16Å; L764-I768 PolarHBondContact O-N 2.8Å; L764-Y815 HydrophobicContact CD1-CD1 3.95Å; L764-Y815 HydrophobicContact CD1-CD2 4.14Å; L764-Y815 HydrophobicContact CD1-CE1 4.33Å; L764-Y815 HydrophobicContact CD1-CE2 4.47Å; L764-Y815 HydrophobicContact CD1-CG 3.87Å
765	M	92	Very high	85.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-41.2	178.2	-70.6	-172.6	-62.3	0	0	111.9	C761 T762 K767 I768 L769 L825 C828 L1489 L1492 T1493	C761-M765 HydrophobicContact CB-CE 4.24Å; C761-M765 HydrophobicContact CB-CG 4.24Å; C761-M765 HydrophobicContact CB-SD 4.48Å; C761-M765 WeakPolarHBondContact O-CG 3.2Å; C761-M765 PolarHBondContact O-N 3.25Å; T762-M765 PolarHBondContact O-N 3.46Å; M765-K767 VanDerWaalsContact C-N 3.32Å; M765-K767 PolarHBondContact O-N 2.95Å; M765-I768 PolarHBondContact O-N 2.86Å; M765-L769 WeakPolarHBondContact O-CB 3.43Å; M765-L769 PolarHBondContact O-N 2.92Å; M765-L825 HydrophobicContact CG-CD1 4.06Å; M765-L825 HydrophobicContact SD-CD1 4.45Å; M765-C828 HydrophobicContact SD-CB 4.07Å; M765-L1489 HydrophobicContact CB-CD2 4.08Å; M765-L1489 HydrophobicContact CG-CD2 4.21Å; M765-L1492 HydrophobicContact CE-CB 4.13Å; M765-L1492 HydrophobicContact SD-CB 4.15Å; M765-L1492 HydrophobicContact SD-CD1 3.94Å; M765-T1493 HydrophobicContact CB-CG2 3.51Å; M765-T1493 HydrophobicContact CE-CG2 4.21Å
766	R	89.4	Confident	82.7	Confident	142 Å²	142	35.5 Å²	35.5	54%	0.536	16%	0.163	S	C	.	.	H	α-helix	trans	-62.5	-38	171.9	-71.3	179.4	-175.5	172.1	3	112.2	T762 L764 S770 T1493	T762-R766 WeakPolarHBondContact O-CG 3.39Å; T762-R766 PolarHBondContact O-N 3.13Å; L764-R766 VanDerWaalsContact C-N 3.34Å; L764-R766 PolarHBondContact O-N 3.5Å; R766-S770 VanDerWaalsContact O-CB 3.24Å; R766-S770 WeakPolarHBondContact O-CB 3.41Å; R766-S770 PolarHBondContact O-N 3.41Å; R766-T1493 HydrophobicContact CG-CG2 3.7Å; R766-T1493 PolarHBondContact NH2-O 3.13Å
767	K	89.1	Confident	80.4	Confident	46 Å²	46	39.5 Å²	39.5	20%	0.2	19%	0.187	C	C	.	.	H	α-helix	trans	-71.6	-37.3	178.4	-169.3	68.5	-137.8	71.6	0	112.4	L585 P763 L764 M765 S770 D771 Y815	L585-K767 HydrophobicContact CD1-CB 3.6Å; L585-K767 HydrophobicContact CD1-CG 4.07Å; L585-K767 HydrophobicContact CD2-CG 4.09Å; P763-K767 PolarHBondContact O-N 2.81Å; L764-K767 CarbonylContact O-C 3.6Å; L764-K767 WeakPolarHBondContact O-CA 3.18Å; L764-K767 PolarHBondContact O-N 2.95Å; M765-K767 VanDerWaalsContact C-N 3.32Å; M765-K767 PolarHBondContact O-N 2.95Å; K767-S770 PolarHBondContact NZ-OG 3.42Å; K767-S770 PolarHBondContact O-N 3.25Å; K767-D771 WeakPolarHBondContact CE-OD2 3.49Å; K767-D771 VanDerWaalsContact NZ-CG 3.26Å; K767-D771 IonicContact NZ-OD1 3.48Å; K767-D771 IonicContact NZ-OD2 3.66Å; K767-D771 PolarHBondContact NZ-OD2 2.93Å; K767-D771 PolarHBondContact O-N 3.14Å; K767-Y815 HydrophobicContact CG-CE1 4.2Å
768	I	91.5	Very high	78.1	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-51.5	172.6	-68.8	170.9	0	0	0	109.7	I351 V353 L764 M765 S770 D771 A772 Y815 L825 I864 L1489	I351-I768 HydrophobicContact CD1-CG2 3.99Å; I351-I768 HydrophobicContact CG2-CG1 4.13Å; I351-I768 HydrophobicContact CG2-CG2 4.39Å; V353-I768 HydrophobicContact CG2-CD1 4.12Å; L764-I768 HydrophobicContact CD1-CD1 4.01Å; L764-I768 HydrophobicContact CD1-CG1 4.08Å; L764-I768 HydrophobicContact CG-CD1 3.88Å; L764-I768 HydrophobicContact CG-CG1 4.39Å; L764-I768 WeakPolarHBondContact O-CG1 3.16Å; L764-I768 PolarHBondContact O-N 2.8Å; M765-I768 PolarHBondContact O-N 2.86Å; I768-S770 VanDerWaalsContact C-N 3.28Å; I768-S770 PolarHBondContact O-N 2.84Å; I768-D771 PolarHBondContact O-N 2.95Å; I768-A772 PolarHBondContact O-N 3.46Å; I768-Y815 HydrophobicContact CG1-CE2 4.41Å; I768-L825 HydrophobicContact CD1-CD2 4.23Å; I768-I864 HydrophobicContact CG2-CD1 4.06Å; I768-L1489 HydrophobicContact CG2-CD1 3.87Å
769	L	89.7	Confident	75.7	Confident	15 Å²	15	46.7 Å²	46.7	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-54.1	-45.5	174.2	176.2	61.8	0	0	0	111.7	M765 D771 A772 R773 E1486 L1489 V1490	M765-L769 WeakPolarHBondContact O-CB 3.43Å; M765-L769 PolarHBondContact O-N 2.92Å; L769-D771 VanDerWaalsContact C-N 3.33Å; L769-D771 PolarHBondContact O-N 3.02Å; L769-A772 PolarHBondContact O-N 3.25Å; L769-R773 HydrophobicContact CD1-CG 4.33Å; L769-R773 WeakPolarHBondContact O-CB 3.28Å; L769-R773 WeakPolarHBondContact O-CG 3.44Å; L769-R773 PolarHBondContact O-N 3.05Å; L769-E1486 HydrophobicContact CD1-CB 4.03Å; L769-E1486 HydrophobicContact CD1-CG 3.75Å; L769-L1489 HydrophobicContact CB-CB 4.06Å; L769-L1489 HydrophobicContact CB-CD1 3.99Å; L769-L1489 HydrophobicContact CD1-CB 4.2Å; L769-L1489 HydrophobicContact CD1-CD1 4.48Å; L769-L1489 HydrophobicContact CD2-CB 4.41Å; L769-L1489 HydrophobicContact CG-CB 4.46Å; L769-V1490 HydrophobicContact CD1-CG2 4.38Å; L769-V1490 HydrophobicContact CD2-CG2 3.62Å
770	S	85	Confident	73.5	Confident	46 Å²	46	44.3 Å²	44.3	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-33.7	175.8	156.4	0	0	0	0	113.4	R766 K767 I768 Y774	R766-S770 VanDerWaalsContact O-CB 3.24Å; R766-S770 WeakPolarHBondContact O-CB 3.41Å; R766-S770 PolarHBondContact O-N 3.41Å; K767-S770 PolarHBondContact NZ-OG 3.42Å; K767-S770 PolarHBondContact O-N 3.25Å; I768-S770 VanDerWaalsContact C-N 3.28Å; I768-S770 PolarHBondContact O-N 2.84Å; S770-Y774 WeakPolarHBondContact O-CB 3.33Å; S770-Y774 WeakPolarHBondContact O-CD2 3.38Å; S770-Y774 PolarHBondContact O-N 3.41Å
771	D	83.2	Confident	71.3	Confident	2 Å²	2	46 Å²	46	1%	0.011	23%	0.229	C	C	.	.	H	α-helix	trans	-86.2	-25.8	179	-95.2	-54	0	0	0	113.6	I351 K767 I768 L769 R811 R813 Y815	I351-D771 HydrophobicContact CD1-CB 4.42Å; K767-D771 WeakPolarHBondContact CE-OD2 3.49Å; K767-D771 VanDerWaalsContact NZ-CG 3.26Å; K767-D771 IonicContact NZ-OD1 3.48Å; K767-D771 IonicContact NZ-OD2 3.66Å; K767-D771 PolarHBondContact NZ-OD2 2.93Å; K767-D771 PolarHBondContact O-N 3.14Å; I768-D771 PolarHBondContact O-N 2.95Å; L769-D771 VanDerWaalsContact C-N 3.33Å; L769-D771 PolarHBondContact O-N 3.02Å; D771-R811 IonicContact OD1-CZ 3.94Å; D771-R811 VanDerWaalsContact OD1-CZ 3.22Å; D771-R811 IonicContact OD1-NE 3.13Å; D771-R811 PolarHBondContact OD1-NE 2.86Å; D771-R811 IonicContact OD1-NH2 2.71Å; D771-R811 PolarHBondContact OD1-NH2 2.84Å; D771-R813 HydrophobicContact CB-CG 3.92Å; D771-R813 VanDerWaalsContact CG-NE 3.25Å; D771-R813 IonicContact OD1-CZ 2.78Å; D771-R813 IonicContact OD1-NE 2.68Å; D771-R813 PolarHBondContact OD1-NE 3.41Å; D771-R813 IonicContact OD1-NH2 3.88Å; D771-R813 PolarHBondContact OD1-NH2 2.84Å; D771-R813 IonicContact OD2-NE 3.68Å; D771-R813 PolarHBondContact OD2-NE 2.77Å; D771-Y815 PolarHBondContact OD2-OH 3.37Å; D771-Y815 VanDerWaalsContact OD2-OH 3.09Å
772	A	81.3	Confident	69	Low	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.2	-53.8	167.7	0	0	0	0	0	110.6	I351 I768 L769 Y774 T775 I866 L1482	I351-A772 HydrophobicContact CD1-CB 4.42Å; I768-A772 PolarHBondContact O-N 3.46Å; L769-A772 PolarHBondContact O-N 3.25Å; A772-Y774 PolarHBondContact O-N 2.8Å; A772-Y774 VanDerWaalsContact O-N 3.08Å; A772-T775 PolarHBondContact O-N 3.14Å; A772-T775 PolarHBondContact O-OG1 3.42Å; A772-T775 VanDerWaalsContact O-OG1 3.07Å; A772-I866 HydrophobicContact CB-CD1 3.77Å; A772-L1482 HydrophobicContact CB-CD1 4.29Å
773	R	72.8	Confident	66.6	Low	119 Å²	119	57.9 Å²	57.9	45%	0.449	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-56.2	-25.9	175.4	-79.5	-180	171.4	-174.4	-2.9	114.6	L769 T775 D776 E1486	L769-R773 HydrophobicContact CD1-CG 4.33Å; L769-R773 WeakPolarHBondContact O-CB 3.28Å; L769-R773 WeakPolarHBondContact O-CG 3.44Å; L769-R773 PolarHBondContact O-N 3.05Å; R773-T775 PolarHBondContact O-N 3.3Å; R773-T775 VanDerWaalsContact O-N 3.12Å; R773-D776 VanDerWaalsContact O-CB 3.27Å; R773-D776 WeakPolarHBondContact O-CB 3.32Å; R773-D776 PolarHBondContact O-N 3.47Å; R773-D776 VanDerWaalsContact O-N 3.1Å; R773-E1486 WeakPolarHBondContact CG-OE1 3.47Å; R773-E1486 IonicContact CZ-OE2 3.1Å; R773-E1486 VanDerWaalsContact NE-CD 3.32Å; R773-E1486 IonicContact NE-OE1 3Å; R773-E1486 IonicContact NE-OE2 3.41Å; R773-E1486 PolarHBondContact NE-OE2 3.34Å; R773-E1486 IonicContact NH2-OE2 2.98Å; R773-E1486 PolarHBondContact NH2-OE2 3.14Å
774	Y	60.9	Low	64.3	Low	92 Å²	92	60.5 Å²	60.5	36%	0.361	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-77	11.6	-177.7	-122.2	-82.5	0	0	0	114.1	S770 A772 V777 R811	S770-Y774 WeakPolarHBondContact O-CB 3.33Å; S770-Y774 WeakPolarHBondContact O-CD2 3.38Å; S770-Y774 PolarHBondContact O-N 3.41Å; A772-Y774 PolarHBondContact O-N 2.8Å; A772-Y774 VanDerWaalsContact O-N 3.08Å; Y774-V777 WeakPolarHBondContact CD1-O 3.47Å; Y774-V777 WeakPolarHBondContact CE1-O 3.4Å; Y774-R811 VanDerWaalsContact CB-NH2 3.28Å
775	T	51.9	Low	62	Low	26 Å²	26	63.4 Å²	63.4	16%	0.16	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-71.3	-13	157.7	48.8	0	0	0	0	112.7	R348 A772 R773	R348-T775 HydrophobicContact CB-CG2 4.24Å; A772-T775 PolarHBondContact O-N 3.14Å; A772-T775 PolarHBondContact O-OG1 3.42Å; A772-T775 VanDerWaalsContact O-OG1 3.07Å; R773-T775 PolarHBondContact O-N 3.3Å; R773-T775 VanDerWaalsContact O-N 3.12Å
776	D	41.4	Very low	59.2	Low	79 Å²	79	66.3 Å²	66.3	42%	0.422	34%	0.34	S	S	.	.	S	Bend	trans	-104.4	-27.9	-166.2	-151.6	45.1	0	0	0	115	R773 Y799	R773-D776 VanDerWaalsContact O-CB 3.27Å; R773-D776 WeakPolarHBondContact O-CB 3.32Å; R773-D776 PolarHBondContact O-N 3.47Å; R773-D776 VanDerWaalsContact O-N 3.1Å; D776-Y799 VanDerWaalsContact OD1-CE1 3.32Å; D776-Y799 WeakPolarHBondContact OD1-CE1 3.28Å; D776-Y799 VanDerWaalsContact OD1-CZ 3.32Å; D776-Y799 PolarHBondContact OD1-OH 3.37Å
777	V	42.4	Very low	56.5	Low	84 Å²	84	68.3 Å²	68.3	51%	0.509	36%	0.355	S	S	.	.			trans	-147.9	131.6	179.6	-154.1	0	0	0	0	111.3	Y774	Y774-V777 WeakPolarHBondContact CD1-O 3.47Å; Y774-V777 WeakPolarHBondContact CE1-O 3.4Å
778	D	45.3	Very low	53.9	Low	48 Å²	48	76.9 Å²	76.9	26%	0.257	39%	0.386	S	S	.	.			trans	-125.8	151	167	-167.7	40.1	0	0	0	112.9	C780	D778-C780 VanDerWaalsContact OD2-CB 3.3Å; D778-C780 WeakPolarHBondContact OD2-CB 3.42Å; D778-C780 PolarHBondContact OD2-N 3.16Å; D778-C780 PolarHBondContact OD2-SG 3.1Å; D778-C780 VanDerWaalsContact OD2-SG 3.42Å
779	E	39.1	Very low	51.2	Low	118 Å²	118	82.3 Å²	82.3	55%	0.551	42%	0.422	S	S	*	.	H	α-helix	trans	-80.3	-24.6	-176.5	-163.6	165.7	-123	0	0	112.2	T781 R782 L783	E779-T781 VanDerWaalsContact C-N 3.27Å; E779-T781 PolarHBondContact O-N 2.82Å; E779-R782 PolarHBondContact O-N 3.37Å; E779-L783 PolarHBondContact O-N 2.86Å
780	C	40.2	Very low	48.7	Very low	34 Å²	34	88.2 Å²	88.2	23%	0.23	45%	0.454	C	S	.	.	H	α-helix	trans	-61.1	-37.2	171.6	-63.3	0	0	0	0	111.9	D778 L783 H784	D778-C780 VanDerWaalsContact OD2-CB 3.3Å; D778-C780 WeakPolarHBondContact OD2-CB 3.42Å; D778-C780 PolarHBondContact OD2-N 3.16Å; D778-C780 PolarHBondContact OD2-SG 3.1Å; D778-C780 VanDerWaalsContact OD2-SG 3.42Å; C780-L783 PolarHBondContact O-N 2.83Å; C780-H784 PolarHBondContact O-N 3.31Å
781	T	43.9	Very low	46.2	Very low	41 Å²	41	94.3 Å²	94.3	25%	0.252	48%	0.477	S	S	.	.	H	α-helix	trans	-63.9	-42.1	177.6	-43.3	0	0	0	0	111	E779 L783 H784 A785	E779-T781 VanDerWaalsContact C-N 3.27Å; E779-T781 PolarHBondContact O-N 2.82Å; T781-L783 VanDerWaalsContact C-N 3.27Å; T781-L783 PolarHBondContact O-N 3.08Å; T781-H784 PolarHBondContact O-N 2.91Å; T781-A785 WeakPolarHBondContact O-CB 3.49Å; T781-A785 PolarHBondContact O-N 3.03Å
782	R	40.8	Very low	43.8	Very low	171 Å²	171	98.5 Å²	98.5	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-69.1	-18.9	177.9	-82.5	-172.8	-76.7	173.8	-2.1	114.8	E779	E779-R782 PolarHBondContact O-N 3.37Å
783	L	39	Very low	41.5	Very low	105 Å²	105	106.8 Å²	106.8	55%	0.55	56%	0.558	S	S	.	*	H	α-helix	trans	-93.4	-11.7	175.1	-67.8	174.7	0	0	0	113.7	E779 C780 T781	E779-L783 PolarHBondContact O-N 2.86Å; C780-L783 PolarHBondContact O-N 2.83Å; T781-L783 VanDerWaalsContact C-N 3.27Å; T781-L783 PolarHBondContact O-N 3.08Å
784	H	40.3	Very low	39.8	Very low	100 Å²	100	106.9 Å²	106.9	46%	0.463	58%	0.575	S	S	.	*	H	α-helix	trans	-128.3	-19.5	-172.8	-65.5	-23.7	0	0	0	114.8	C780 T781 G786	C780-H784 PolarHBondContact O-N 3.31Å; T781-H784 PolarHBondContact O-N 2.91Å; H784-G786 VanDerWaalsContact C-N 3.33Å; H784-G786 PolarHBondContact O-N 3.4Å
785	A	42.2	Very low	38.7	Very low	62 Å²	62	106.4 Å²	106.4	51%	0.512	58%	0.584	S	S	.	*	S	Bend	trans	-63.6	99.7	150.4	0	0	0	0	0	107	T781	T781-A785 WeakPolarHBondContact O-CB 3.49Å; T781-A785 PolarHBondContact O-N 3.03Å
786	G	34.5	Very low	38.1	Very low	61 Å²	61	110.5 Å²	110.5	63%	0.629	61%	0.611	S	S	*	*			trans	-58.6	150.2	-166.3	0	0	0	0	0	113.5	H784 R788	H784-G786 VanDerWaalsContact C-N 3.33Å; H784-G786 PolarHBondContact O-N 3.4Å; G786-R788 PolarHBondContact O-N 2.83Å
787	H	32.5	Very low	38	Very low	183 Å²	183	111.5 Å²	111.5	85%	0.847	62%	0.616	S	S	*	*			trans	-54.1	100.9	175.2	-79	27.3	0	0	0	111.3	P789	H787-P789 WeakPolarHBondContact O-CD 3.47Å
788	R	35.3	Very low	38	Very low	226 Å²	226	111.1 Å²	111.1	85%	0.853	62%	0.616	S	S	*	*			trans	-96.2	101.9	153.1	-75.7	-171.7	172.7	-162	-0.9	106.5	G786 N790	G786-R788 PolarHBondContact O-N 2.83Å; R788-N790 PolarHBondContact O-N 2.95Å
789	P	34.5	Very low	37.9	Very low	116 Å²	116	112.3 Å²	112.3	75%	0.753	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	2.5	-164.7	-24.4	36.1	0	0	0	117.5	H787	H787-P789 WeakPolarHBondContact O-CD 3.47Å
790	N	35.6	Very low	38.3	Very low	140 Å²	140	107.8 Å²	107.8	75%	0.749	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	4.8	-156.9	-73.8	16.9	0	0	0	116.7	R788	R788-N790 PolarHBondContact O-N 2.95Å
791	H	34.1	Very low	38.2	Very low	174 Å²	174	114 Å²	114	81%	0.806	62%	0.622	S	S	*	*			trans	-132.7	117.3	173.4	-67.7	-69.9	0	0	0	111.5	E793	H791-E793 PolarHBondContact O-N 2.77Å
792	G	32.9	Very low	37.9	Very low	89 Å²	89	113.3 Å²	113.3	92%	0.918	62%	0.624	S	S	*	*			trans	-92.6	20.8	-169.3	0	0	0	0	0	116.1
793	E	32.6	Very low	37.8	Very low	174 Å²	174	105.6 Å²	105.6	81%	0.813	60%	0.596	S	S	*	*	S	Bend	trans	-115.9	140.3	179.4	-67.2	-166.6	144.7	0	0	112.1	H791 C795	H791-E793 PolarHBondContact O-N 2.77Å; E793-C795 PolarHBondContact O-N 2.99Å
794	P	35.9	Very low	37.7	Very low	122 Å²	122	102.9 Å²	102.9	79%	0.792	59%	0.588	S	S	*	*			trans	-70.3	110.5	172.3	29.8	-32.5	0	0	0	109.4	P796	P794-P796 VanDerWaalsContact O-CD 3.28Å; P794-P796 WeakPolarHBondContact O-CD 3.46Å
795	C	38	Very low	37.9	Very low	82 Å²	82	99.2 Å²	99.2	55%	0.554	57%	0.574	S	S	*	*			trans	-60.7	119	-177.5	-167.1	0	0	0	0	111	E793 D797 C798	E793-C795 PolarHBondContact O-N 2.99Å; C795-D797 PolarHBondContact O-N 3Å; C795-D797 VanDerWaalsContact SG-CB 3.51Å; C795-C798 PolarHBondContact O-N 2.96Å; C795-C798 PolarHBondContact O-SG 3.18Å; C795-C798 VanDerWaalsContact O-SG 3.41Å
796	P	39.9	Very low	38.2	Very low	112 Å²	112	98.6 Å²	98.6	73%	0.727	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-10.8	178.7	-21.6	34.1	0	0	0	114.1	P794 C798	P794-P796 VanDerWaalsContact O-CD 3.28Å; P794-P796 WeakPolarHBondContact O-CD 3.46Å; P796-C798 PolarHBondContact O-N 2.97Å
797	D	39	Very low	38.9	Very low	99 Å²	99	99.9 Å²	99.9	53%	0.529	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.7	12.2	-174.7	-137.1	13	0	0	0	112.4	C795 Y799 K801	C795-D797 PolarHBondContact O-N 3Å; C795-D797 VanDerWaalsContact SG-CB 3.51Å; D797-Y799 VanDerWaalsContact C-N 3.27Å; D797-Y799 PolarHBondContact O-N 3.03Å; D797-K801 VanDerWaalsContact OD1-CE 3.28Å; D797-K801 WeakPolarHBondContact OD1-CE 3.17Å; D797-K801 IonicContact OD1-NZ 2.75Å; D797-K801 PolarHBondContact OD1-NZ 2.94Å; D797-K801 VanDerWaalsContact OD1-NZ 3.15Å; D797-K801 VanDerWaalsContact OD2-CE 3.3Å; D797-K801 WeakPolarHBondContact OD2-CE 3.34Å; D797-K801 IonicContact OD2-NZ 3.55Å; D797-K801 PolarHBondContact OD2-NZ 3.04Å
798	C	43.2	Very low	40.3	Very low	76 Å²	76	91.8 Å²	91.8	51%	0.514	52%	0.516	S	S	.	.			trans	-79.2	-0.3	-176.9	64	0	0	0	0	114.6	C795 P796 S800	C795-C798 PolarHBondContact O-N 2.96Å; C795-C798 PolarHBondContact O-SG 3.18Å; C795-C798 VanDerWaalsContact O-SG 3.41Å; P796-C798 PolarHBondContact O-N 2.97Å; C798-S800 PolarHBondContact O-N 2.96Å
799	Y	43.3	Very low	42	Very low	73 Å²	73	83.2 Å²	83.2	29%	0.286	49%	0.485	S	S	.	.	S	Bend	trans	-66.7	127.8	163.2	-58.3	-67.1	0	0	0	109.6	D776 D797 K801 P874 R879	D776-Y799 VanDerWaalsContact OD1-CE1 3.32Å; D776-Y799 WeakPolarHBondContact OD1-CE1 3.28Å; D776-Y799 VanDerWaalsContact OD1-CZ 3.32Å; D776-Y799 PolarHBondContact OD1-OH 3.37Å; D797-Y799 VanDerWaalsContact C-N 3.27Å; D797-Y799 PolarHBondContact O-N 3.03Å; Y799-K801 PolarHBondContact O-N 2.92Å; Y799-P874 HydrophobicContact CD2-CB 4.5Å; Y799-P874 HydrophobicContact CE2-CB 4.17Å; Y799-R879 VanDerWaalsContact CD1-NH2 3.32Å
800	S	46.8	Very low	44.2	Very low	24 Å²	24	77.8 Å²	77.8	17%	0.168	45%	0.45	C	S	.	.			trans	-52.3	110.1	-179.1	52.7	0	0	0	0	112.7	C798 G802 R808	C798-S800 PolarHBondContact O-N 2.96Å; S800-G802 PolarHBondContact O-N 3.01Å; S800-R808 WeakPolarHBondContact OG-CD 3.42Å; S800-R808 VanDerWaalsContact OG-CG 3.26Å; S800-R808 WeakPolarHBondContact OG-CG 3.36Å; S800-R808 PolarHBondContact OG-NE 3.05Å
801	K	38.4	Very low	46.4	Very low	163 Å²	163	72.4 Å²	72.4	71%	0.709	42%	0.419	S	S	*	.	S	Bend	trans	-69.6	24	-176.4	-57.4	-164.3	174.6	-159.7	0	115.7	D797 Y799	D797-K801 VanDerWaalsContact OD1-CE 3.28Å; D797-K801 WeakPolarHBondContact OD1-CE 3.17Å; D797-K801 IonicContact OD1-NZ 2.75Å; D797-K801 PolarHBondContact OD1-NZ 2.94Å; D797-K801 VanDerWaalsContact OD1-NZ 3.15Å; D797-K801 VanDerWaalsContact OD2-CE 3.3Å; D797-K801 WeakPolarHBondContact OD2-CE 3.34Å; D797-K801 IonicContact OD2-NZ 3.55Å; D797-K801 PolarHBondContact OD2-NZ 3.04Å; Y799-K801 PolarHBondContact O-N 2.92Å
802	G	37.5	Very low	49.1	Very low	28 Å²	28	64.1 Å²	64.1	29%	0.289	38%	0.381	S	S	.	.	S	Bend	trans	172.7	149.7	-179.4	0	0	0	0	0	112.2	S800 A804 S805	S800-G802 PolarHBondContact O-N 3.01Å; G802-A804 PolarHBondContact O-N 2.74Å; G802-S805 WeakPolarHBondContact O-CB 3.45Å; G802-S805 PolarHBondContact O-N 3.01Å; G802-S805 VanDerWaalsContact O-N 3.11Å
803	V	38.5	Very low	51.9	Low	9 Å²	9	59.9 Å²	59.9	6%	0.055	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.7	-177.6	177.9	0	0	0	0	112.6	T334 R538 S805	T334-V803 HydrophobicContact CG2-CB 4.49Å; T334-V803 HydrophobicContact CG2-CG1 3.93Å; T334-V803 HydrophobicContact CG2-CG2 3.7Å; T334-V803 WeakPolarHBondContact OG1-CG1 3.43Å; T334-V803 WeakPolarHBondContact OG1-CG2 3.04Å; R538-V803 PolarHBondContact NE-O 2.89Å; V803-S805 PolarHBondContact O-N 3.26Å
804	A	36.1	Very low	54.8	Low	47 Å²	47	51.6 Å²	51.6	39%	0.388	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-0.3	179	0	0	0	0	0	114.4	G802	G802-A804 PolarHBondContact O-N 2.74Å
805	S	45.4	Very low	57.7	Low	23 Å²	23	45.8 Å²	45.8	16%	0.161	26%	0.261	C	S	.	.			trans	-64.1	131.9	175.5	178.3	0	0	0	0	111.2	G802 V803 E807 R808	G802-S805 WeakPolarHBondContact O-CB 3.45Å; G802-S805 PolarHBondContact O-N 3.01Å; G802-S805 VanDerWaalsContact O-N 3.11Å; V803-S805 PolarHBondContact O-N 3.26Å; S805-E807 PolarHBondContact O-N 3.1Å; S805-E807 VanDerWaalsContact O-N 3.07Å; S805-E807 WeakPolarHBondContact OG-CB 3.2Å; S805-E807 PolarHBondContact OG-N 2.8Å; S805-E807 VanDerWaalsContact OG-N 3.14Å; S805-R808 PolarHBondContact O-N 3.26Å
806	P	47.5	Very low	60.4	Low	49 Å²	49	41.9 Å²	41.9	32%	0.318	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.1	170.7	-23.4	34.7	0	0	0	114.3	F809	P806-F809 VanDerWaalsContact O-CE1 3.26Å; P806-F809 WeakPolarHBondContact O-CE1 3.41Å; P806-F809 WeakPolarHBondContact O-CZ 3.45Å
807	E	50.2	Low	63	Low	88 Å²	88	36.6 Å²	36.6	41%	0.411	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.3	-175.8	-56.9	171.5	151	0	0	112.6	S805 F809	S805-E807 PolarHBondContact O-N 3.1Å; S805-E807 VanDerWaalsContact O-N 3.07Å; S805-E807 WeakPolarHBondContact OG-CB 3.2Å; S805-E807 PolarHBondContact OG-N 2.8Å; S805-E807 VanDerWaalsContact OG-N 3.14Å; E807-F809 WeakPolarHBondContact O-CD2 3.47Å; E807-F809 WeakPolarHBondContact O-CE2 3.45Å; E807-F809 PolarHBondContact O-N 2.84Å
808	R	61.4	Low	65.4	Low	13 Å²	13	32.5 Å²	32.5	5%	0.049	18%	0.179	C	C	.	.			trans	-91.4	80.7	-176.6	-150.8	169.4	-158.3	-137.3	-19.6	111.5	E346 R538 S800 S805 E868	E346-R808 VanDerWaalsContact CD-CZ 3.43Å; E346-R808 VanDerWaalsContact CD-NH1 3.31Å; E346-R808 WeakPolarHBondContact OE1-CD 3.26Å; E346-R808 IonicContact OE1-CZ 3.89Å; E346-R808 IonicContact OE1-NE 2.64Å; E346-R808 PolarHBondContact OE1-NE 2.96Å; E346-R808 IonicContact OE1-NH1 3.91Å; E346-R808 PolarHBondContact OE1-NH1 2.94Å; E346-R808 IonicContact OE1-NH2 2.96Å; E346-R808 PolarHBondContact OE1-NH2 3.11Å; E346-R808 IonicContact OE2-CZ 3.88Å; E346-R808 IonicContact OE2-NH1 2.78Å; E346-R808 PolarHBondContact OE2-NH1 3.2Å; E346-R808 IonicContact OE2-NH2 3.83Å; E346-R808 PolarHBondContact OE2-NH2 3.47Å; R538-R808 WeakPolarHBondContact CB-O 3.34Å; R538-R808 WeakPolarHBondContact CG-O 3.29Å; S800-R808 WeakPolarHBondContact OG-CD 3.42Å; S800-R808 VanDerWaalsContact OG-CG 3.26Å; S800-R808 WeakPolarHBondContact OG-CG 3.36Å; S800-R808 PolarHBondContact OG-NE 3.05Å; S805-R808 PolarHBondContact O-N 3.26Å; R808-E868 IonicContact NH2-OE1 3.31Å
809	F	70.8	Confident	67.6	Low	46 Å²	46	31.2 Å²	31.2	20%	0.202	17%	0.165	C	C	.	.			trans	-93.1	138.2	-176.6	-50.3	-81.9	0	0	0	113.6	R348 Y537 P806 E807	R348-F809 PolarHBondContact NH1-O 3.16Å; Y537-F809 VanDerWaalsContact O-CD1 3.24Å; Y537-F809 WeakPolarHBondContact O-CD1 3.46Å; Y537-F809 VanDerWaalsContact O-CE1 3.27Å; Y537-F809 WeakPolarHBondContact O-CE1 3.44Å; P806-F809 VanDerWaalsContact O-CE1 3.26Å; P806-F809 WeakPolarHBondContact O-CE1 3.41Å; P806-F809 WeakPolarHBondContact O-CZ 3.45Å; E807-F809 WeakPolarHBondContact O-CD2 3.47Å; E807-F809 WeakPolarHBondContact O-CE2 3.45Å; E807-F809 PolarHBondContact O-N 2.84Å
810	V	80.2	Confident	69.8	Low	2 Å²	2	28 Å²	28	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.6	154.2	-170.3	0	0	0	0	108.1	P335 L347 R348 Y515 L533 R538 H539 D540	P335-V810 HydrophobicContact CG-CG2 4.39Å; L347-V810 HydrophobicContact CD2-CG1 4.39Å; L347-V810 HydrophobicContact CG-CG1 4.27Å; L347-V810 WeakPolarHBondContact O-CG2 3.35Å; R348-V810 CarbonylContact O-C 3.58Å; R348-V810 WeakPolarHBondContact O-CA 3.08Å; Y515-V810 HydrophobicContact CE1-CG1 4.36Å; L533-V810 HydrophobicContact CD1-CG2 3.95Å; L533-V810 HydrophobicContact CD2-CB 4.15Å; L533-V810 HydrophobicContact CD2-CG1 4.39Å; L533-V810 HydrophobicContact CD2-CG2 3.9Å; R538-V810 PolarHBondContact O-N 2.86Å; H539-V810 WeakPolarHBondContact CA-O 3.39Å; H539-V810 PolarHBondContact CD2-O 2.84Å; D540-V810 PolarHBondContact N-O 2.78Å
811	R	83.7	Confident	71.9	Confident	27 Å²	27	27 Å²	27	10%	0.102	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	113	-174.6	-170.6	-178.7	-173.2	101.3	-6.5	110.8	R348 C349 V350 D540 D771 Y774	R348-R811 PolarHBondContact O-N 2.69Å; C349-R811 CarbonylContact C-O 3.58Å; C349-R811 VanDerWaalsContact CA-O 3.27Å; C349-R811 WeakPolarHBondContact CA-O 3.48Å; C349-R811 HydrophobicContact CB-CB 4.42Å; C349-R811 PolarHBondContact SG-O 3Å; V350-R811 PolarHBondContact N-O 3.05Å; D540-R811 IonicContact OD2-CZ 3.35Å; D540-R811 IonicContact OD2-NH1 4Å; D540-R811 PolarHBondContact OD2-NH1 3.1Å; D771-R811 IonicContact OD1-CZ 3.94Å; D771-R811 VanDerWaalsContact OD1-CZ 3.22Å; D771-R811 IonicContact OD1-NE 3.13Å; D771-R811 PolarHBondContact OD1-NE 2.86Å; D771-R811 IonicContact OD1-NH2 2.71Å; D771-R811 PolarHBondContact OD1-NH2 2.84Å; Y774-R811 VanDerWaalsContact CB-NH2 3.28Å
812	S	89.6	Confident	74.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.7	178.8	-62.6	0	0	0	0	111.7	V350 Y515 H539 D540 K542	V350-S812 CarbonylContact O-C 3.55Å; V350-S812 WeakPolarHBondContact O-CA 3.47Å; Y515-S812 WeakPolarHBondContact CE1-OG 3.28Å; Y515-S812 PolarHBondContact OH-OG 3.19Å; H539-S812 WeakPolarHBondContact NE2-CB 3.45Å; H539-S812 PolarHBondContact NE2-OG 3.2Å; D540-S812 PolarHBondContact O-N 3.32Å; K542-S812 PolarHBondContact N-O 3.18Å
813	R	91.5	Very high	77.1	Confident	1 Å²	1	18.8 Å²	18.8	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	107.1	-177.3	-65	-64.4	-179.9	-97.1	2.8	110.9	V350 I351 A352 D540 D771 Y815	V350-R813 PolarHBondContact O-N 2.94Å; I351-R813 CarbonylContact C-O 3.59Å; I351-R813 WeakPolarHBondContact CA-O 3.42Å; I351-R813 HydrophobicContact CG1-CB 4.31Å; I351-R813 HydrophobicContact CG2-CB 4.4Å; A352-R813 PolarHBondContact N-O 2.7Å; D540-R813 PolarHBondContact O-NH1 2.82Å; D540-R813 IonicContact OD1-CZ 3.04Å; D540-R813 IonicContact OD1-NH1 2.7Å; D540-R813 PolarHBondContact OD1-NH1 2.64Å; D540-R813 VanDerWaalsContact OD1-NH1 3.1Å; D540-R813 IonicContact OD1-NH2 2.77Å; D540-R813 PolarHBondContact OD1-NH2 2.92Å; D540-R813 IonicContact OD2-CZ 3.85Å; D540-R813 IonicContact OD2-NH1 2.71Å; D540-R813 PolarHBondContact OD2-NH1 2.85Å; D540-R813 IonicContact OD2-NH2 3.99Å; D540-R813 PolarHBondContact OD2-NH2 3.41Å; D771-R813 HydrophobicContact CB-CG 3.92Å; D771-R813 VanDerWaalsContact CG-NE 3.25Å; D771-R813 IonicContact OD1-CZ 2.78Å; D771-R813 IonicContact OD1-NE 2.68Å; D771-R813 PolarHBondContact OD1-NE 3.41Å; D771-R813 IonicContact OD1-NH2 3.88Å; D771-R813 PolarHBondContact OD1-NH2 2.84Å; D771-R813 IonicContact OD2-NE 3.68Å; D771-R813 PolarHBondContact OD2-NE 2.77Å; R813-Y815 HydrophobicContact CB-CE2 3.89Å
814	L	94.9	Very high	79.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.7	-174.6	-49.1	-178.9	0	0	0	109.6	A352 L541 K542 I543 Y544 F558 F562 F816	A352-L814 HydrophobicContact CB-CD2 3.78Å; A352-L814 WeakPolarHBondContact O-CA 3.4Å; L541-L814 HydrophobicContact CD1-CD1 4.08Å; L541-L814 HydrophobicContact CD1-CG 4.25Å; K542-L814 PolarHBondContact O-N 2.99Å; K542-L814 VanDerWaalsContact O-N 3.14Å; I543-L814 WeakPolarHBondContact CA-O 3.28Å; I543-L814 HydrophobicContact CD1-CD1 4.11Å; I543-L814 HydrophobicContact CG1-CB 4.29Å; I543-L814 HydrophobicContact CG1-CD1 4.1Å; I543-L814 HydrophobicContact CG1-CG 4.48Å; I543-L814 HydrophobicContact CG2-CB 4.32Å; Y544-L814 PolarHBondContact N-O 2.77Å; F558-L814 HydrophobicContact CD1-CD1 4.17Å; F558-L814 HydrophobicContact CE1-CD1 3.53Å; F558-L814 HydrophobicContact CZ-CD1 4.32Å; F562-L814 HydrophobicContact CD1-CD1 4.36Å; F562-L814 HydrophobicContact CE1-CD1 4.14Å; F562-L814 HydrophobicContact CZ-CD1 4.34Å; L814-F816 HydrophobicContact CB-CE2 3.92Å
815	Y	95.7	Very high	82.5	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	102.4	-177.8	-61	-80.3	0	0	0	110.4	I351 A352 V353 I354 Y544 L585 L764 K767 I768 D771 R813	I351-Y815 HydrophobicContact CG2-CD2 4.28Å; I351-Y815 HydrophobicContact CG2-CE2 3.95Å; A352-Y815 PolarHBondContact O-N 2.74Å; V353-Y815 WeakPolarHBondContact CA-O 3.38Å; V353-Y815 HydrophobicContact CG2-CD2 4.27Å; I354-Y815 PolarHBondContact N-O 2.85Å; Y544-Y815 AromaticContact CD2-CD1 3.91Å; Y544-Y815 HydrophobicContact CD2-CD1 3.91Å; Y544-Y815 AromaticContact CD2-CE1 3.41Å; Y544-Y815 HydrophobicContact CD2-CE1 3.41Å; Y544-Y815 VanDerWaalsContact CD2-CE1 3.41Å; Y544-Y815 HydrophobicContact CE2-CE1 4.03Å; Y544-Y815 HydrophobicContact CG-CD1 4.07Å; Y544-Y815 AromaticContact CG-CE1 3.84Å; Y544-Y815 HydrophobicContact CG-CE1 3.84Å; L585-Y815 HydrophobicContact CD2-CD1 4.49Å; L585-Y815 HydrophobicContact CD2-CE1 4.14Å; L764-Y815 HydrophobicContact CD1-CD1 3.95Å; L764-Y815 HydrophobicContact CD1-CD2 4.14Å; L764-Y815 HydrophobicContact CD1-CE1 4.33Å; L764-Y815 HydrophobicContact CD1-CE2 4.47Å; L764-Y815 HydrophobicContact CD1-CG 3.87Å; K767-Y815 HydrophobicContact CG-CE1 4.2Å; I768-Y815 HydrophobicContact CG1-CE2 4.41Å; D771-Y815 PolarHBondContact OD2-OH 3.37Å; D771-Y815 VanDerWaalsContact OD2-OH 3.09Å; R813-Y815 HydrophobicContact CB-CE2 3.89Å
816	F	95.9	Very high	84.8	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.5	175.4	-70.8	-90.2	0	0	0	110.2	I354 I543 Y544 A545 S546 V551 T554 A555 F558 L586 L814	I354-F816 HydrophobicContact CB-CD1 4.04Å; I354-F816 HydrophobicContact CB-CE1 3.86Å; I354-F816 HydrophobicContact CB-CZ 4.42Å; I354-F816 HydrophobicContact CD1-CE1 3.97Å; I354-F816 HydrophobicContact CD1-CE2 4.46Å; I354-F816 HydrophobicContact CD1-CZ 3.73Å; I354-F816 HydrophobicContact CG1-CE1 4.49Å; I354-F816 HydrophobicContact CG2-CD1 4.18Å; I354-F816 HydrophobicContact CG2-CE1 3.8Å; I354-F816 WeakPolarHBondContact O-CA 3.4Å; I543-F816 HydrophobicContact CG2-CD2 3.78Å; I543-F816 HydrophobicContact CG2-CE2 3.84Å; Y544-F816 PolarHBondContact O-N 3.11Å; A545-F816 WeakPolarHBondContact CA-O 3.33Å; A545-F816 HydrophobicContact CB-CB 4.22Å; S546-F816 PolarHBondContact N-O 3.28Å; S546-F816 VanDerWaalsContact N-O 3.1Å; V551-F816 HydrophobicContact CG1-CB 3.69Å; V551-F816 WeakPolarHBondContact CG1-O 3.44Å; T554-F816 HydrophobicContact CG2-CD1 3.92Å; T554-F816 HydrophobicContact CG2-CE1 4.1Å; A555-F816 HydrophobicContact CB-CB 3.86Å; A555-F816 HydrophobicContact CB-CD1 4.21Å; A555-F816 HydrophobicContact CB-CD2 3.39Å; A555-F816 HydrophobicContact CB-CE2 4.02Å; A555-F816 HydrophobicContact CB-CG 3.52Å; F558-F816 HydrophobicContact CB-CE1 3.88Å; F558-F816 HydrophobicContact CB-CE2 4.49Å; F558-F816 HydrophobicContact CB-CZ 3.57Å; F558-F816 HydrophobicContact CD1-CE2 4.28Å; F558-F816 AromaticContact CD1-CZ 3.66Å; F558-F816 HydrophobicContact CD1-CZ 3.66Å; F558-F816 HydrophobicContact CD2-CE1 4.14Å; F558-F816 AromaticContact CD2-CZ 3.79Å; F558-F816 HydrophobicContact CD2-CZ 3.79Å; F558-F816 HydrophobicContact CE1-CZ 4.28Å; F558-F816 HydrophobicContact CE2-CZ 4.34Å; F558-F816 HydrophobicContact CG-CE1 4.01Å; F558-F816 HydrophobicContact CG-CE2 4.39Å; F558-F816 AromaticContact CG-CZ 3.4Å; F558-F816 HydrophobicContact CG-CZ 3.4Å; L586-F816 WeakPolarHBondContact CD1-O 3.2Å; L814-F816 HydrophobicContact CB-CE2 3.92Å
817	T	94.1	Very high	87	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	176.7	-170.6	-169.6	0	0	0	0	112.9	V353 I354 R355 H356 H821 I822	V353-T817 HydrophobicContact CG1-CG2 3.83Å; I354-T817 PolarHBondContact O-N 2.88Å; R355-T817 CarbonylContact C-O 3.52Å; R355-T817 WeakPolarHBondContact CA-O 3.4Å; H356-T817 PolarHBondContact N-O 2.81Å; T817-H821 HydrophobicContact CG2-CB 3.67Å; T817-H821 WeakPolarHBondContact OG1-CB 3.12Å; T817-H821 VanDerWaalsContact OG1-CG 3.31Å; T817-I822 HydrophobicContact CG2-CD1 4.01Å; T817-I822 HydrophobicContact CG2-CG1 4.33Å
818	S	89.2	Confident	89	Confident	13 Å²	13	10.3 Å²	10.3	9%	0.091	5%	0.05	C	C	.	.			trans	-85.6	170.8	169.8	78.2	0	0	0	0	111.3	S820 H821	S818-S820 PolarHBondContact O-N 2.84Å; S818-S820 PolarHBondContact OG-OG 2.95Å; S818-H821 PolarHBondContact O-N 3.22Å
819	E	88.5	Confident	90.5	Very high	49 Å²	49	10 Å²	10	23%	0.229	5%	0.049	C	C	.	.	H	α-helix	trans	-50.9	-37.2	-179.7	-172.4	-178.1	126.2	0	0	114.5	R355 V742 H821 I822 H823	R355-E819 IonicContact CZ-OE2 3.26Å; R355-E819 IonicContact NE-OE2 3.64Å; R355-E819 IonicContact NH2-OE2 3.75Å; R355-E819 PolarHBondContact NH2-OE2 3.34Å; V742-E819 WeakPolarHBondContact CG1-OE1 3.34Å; E819-H821 PolarHBondContact O-N 3.01Å; E819-I822 PolarHBondContact O-N 3.09Å; E819-I822 VanDerWaalsContact O-N 3.14Å; E819-H823 PolarHBondContact O-N 2.87Å; E819-H823 VanDerWaalsContact O-N 3.1Å
820	S	89.1	Confident	91.5	Very high	5 Å²	5	10.1 Å²	10.1	4%	0.035	5%	0.048	C	C	.	.	H	α-helix	trans	-58.4	-35.6	-173.9	65.4	0	0	0	0	113.1	S818 S824	S818-S820 PolarHBondContact O-N 2.84Å; S818-S820 PolarHBondContact OG-OG 2.95Å; S820-S824 WeakPolarHBondContact O-CB 3.16Å; S820-S824 PolarHBondContact O-N 3.04Å; S820-S824 PolarHBondContact O-OG 3.03Å
821	H	91.9	Very high	92	Very high	3 Å²	3	11.6 Å²	11.6	1%	0.014	5%	0.054	C	C	.	.	H	α-helix	trans	-79.7	-31.3	-178	-74.5	57.4	0	0	0	112.5	L586 D589 C761 T817 S818 E819 L825	L586-H821 WeakPolarHBondContact CA-NE2 3.41Å; L586-H821 PolarHBondContact O-CE1 3.31Å; L586-H821 VanDerWaalsContact O-CE1 3.3Å; D589-H821 IonicContact OD1-CE1 2.62Å; C761-H821 PolarHBondContact SG-O 3.27Å; T817-H821 HydrophobicContact CG2-CB 3.67Å; T817-H821 WeakPolarHBondContact OG1-CB 3.12Å; T817-H821 VanDerWaalsContact OG1-CG 3.31Å; S818-H821 PolarHBondContact O-N 3.22Å; E819-H821 PolarHBondContact O-N 3.01Å; H821-L825 WeakPolarHBondContact O-CB 3.48Å; H821-L825 PolarHBondContact O-N 2.63Å
822	I	93.6	Very high	92.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.6	-46.7	175.4	-52.2	-62.6	0	0	0	109.8	V353 R355 T817 E819 S824 L825 L826 I856 A860 I862 F886	V353-I822 HydrophobicContact CB-CD1 4.28Å; V353-I822 HydrophobicContact CG1-CD1 3.75Å; R355-I822 HydrophobicContact CB-CG1 4.16Å; T817-I822 HydrophobicContact CG2-CD1 4.01Å; T817-I822 HydrophobicContact CG2-CG1 4.33Å; E819-I822 PolarHBondContact O-N 3.09Å; E819-I822 VanDerWaalsContact O-N 3.14Å; I822-S824 VanDerWaalsContact C-N 3.32Å; I822-S824 PolarHBondContact O-N 3.17Å; I822-L825 PolarHBondContact O-N 3.44Å; I822-L826 WeakPolarHBondContact O-CB 3.37Å; I822-L826 PolarHBondContact O-N 2.9Å; I822-I856 HydrophobicContact CB-CG2 4.04Å; I822-I856 HydrophobicContact CG2-CD1 4.39Å; I822-I856 HydrophobicContact CG2-CG2 3.49Å; I822-I856 VanDerWaalsContact CG2-CG2 3.49Å; I822-A860 HydrophobicContact CG2-CB 4.47Å; I822-I862 HydrophobicContact CG2-CD1 4.26Å; I822-F886 HydrophobicContact CG2-CE2 4.42Å
823	H	91.9	Very high	92.3	Very high	20 Å²	20	16.1 Å²	16.1	9%	0.093	8%	0.077	C	C	.	.	H	α-helix	trans	-56.8	-46.1	173	-86.4	-95.5	0	0	0	111.6	Y746 E819 T827	Y746-H823 HydrophobicContact CD1-CB 4.21Å; Y746-H823 HydrophobicContact CD2-CB 3.99Å; Y746-H823 AromaticContact CD2-CG 3.9Å; Y746-H823 AromaticContact CD2-ND1 3.82Å; Y746-H823 HydrophobicContact CE1-CB 4.24Å; Y746-H823 HydrophobicContact CE2-CB 4.01Å; Y746-H823 AromaticContact CE2-CG 3.76Å; Y746-H823 AromaticContact CE2-ND1 3.97Å; Y746-H823 HydrophobicContact CG-CB 4.09Å; E819-H823 PolarHBondContact O-N 2.87Å; E819-H823 VanDerWaalsContact O-N 3.1Å; H823-T827 WeakPolarHBondContact O-CB 3.44Å; H823-T827 PolarHBondContact O-N 3.36Å; H823-T827 PolarHBondContact O-OG1 2.73Å
824	S	92.7	Very high	92.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	8%	0.081	C	C	.	.	H	α-helix	trans	-67.9	-44.3	-178.1	-64.4	0	0	0	0	113.2	I760 C761 S820 I822 T827 C828	I760-S824 VanDerWaalsContact CD1-OG 3.3Å; I760-S824 WeakPolarHBondContact CD1-OG 3.4Å; C761-S824 WeakPolarHBondContact SG-CB 3.43Å; S820-S824 WeakPolarHBondContact O-CB 3.16Å; S820-S824 PolarHBondContact O-N 3.04Å; S820-S824 PolarHBondContact O-OG 3.03Å; I822-S824 VanDerWaalsContact C-N 3.32Å; I822-S824 PolarHBondContact O-N 3.17Å; S824-T827 WeakPolarHBondContact O-CB 3.47Å; S824-T827 PolarHBondContact O-N 2.87Å; S824-C828 PolarHBondContact O-N 3.13Å; S824-C828 PolarHBondContact O-SG 3.42Å; S824-C828 VanDerWaalsContact O-SG 3.39Å
825	L	94.3	Very high	91.8	Very high	8 Å²	8	18 Å²	18	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-69	-42.5	178.8	-176.5	58.8	0	0	0	111.6	V353 M765 I768 H821 I822 T827 C828 L829 I862	V353-L825 HydrophobicContact CB-CD2 4.22Å; V353-L825 HydrophobicContact CG1-CD2 4.48Å; V353-L825 HydrophobicContact CG2-CD2 3.78Å; M765-L825 HydrophobicContact CG-CD1 4.06Å; M765-L825 HydrophobicContact SD-CD1 4.45Å; I768-L825 HydrophobicContact CD1-CD2 4.23Å; H821-L825 WeakPolarHBondContact O-CB 3.48Å; H821-L825 PolarHBondContact O-N 2.63Å; I822-L825 PolarHBondContact O-N 3.44Å; L825-T827 VanDerWaalsContact C-N 3.29Å; L825-T827 PolarHBondContact O-N 2.72Å; L825-C828 WeakPolarHBondContact O-CB 3.16Å; L825-C828 PolarHBondContact O-N 3.4Å; L825-L829 HydrophobicContact CG-CD1 4.41Å; L825-L829 WeakPolarHBondContact O-CG 3.33Å; L825-L829 PolarHBondContact O-N 2.6Å; L825-I862 HydrophobicContact CB-CD1 4.02Å; L825-I862 HydrophobicContact CD2-CD1 3.92Å; L825-I862 HydrophobicContact CG-CD1 3.9Å
826	L	94.3	Very high	91.3	Very high	12 Å²	12	22 Å²	22	6%	0.063	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-38.1	175.2	-169.8	63.2	0	0	0	111.5	I822 L829 R830 V850 I856 I862 F886	I822-L826 WeakPolarHBondContact O-CB 3.37Å; I822-L826 PolarHBondContact O-N 2.9Å; L826-L829 PolarHBondContact O-N 3.31Å; L826-R830 WeakPolarHBondContact O-CG 3.42Å; L826-R830 PolarHBondContact O-N 2.85Å; L826-V850 HydrophobicContact CD1-CG1 4.15Å; L826-V850 HydrophobicContact CD2-CG1 3.86Å; L826-V850 HydrophobicContact CG-CG1 4.09Å; L826-I856 HydrophobicContact CD2-CD1 3.73Å; L826-I862 HydrophobicContact CB-CD1 4.21Å; L826-F886 HydrophobicContact CD1-CD2 4.35Å; L826-F886 HydrophobicContact CD1-CE2 4.37Å; L826-F886 HydrophobicContact CD1-CG 4.46Å; L826-F886 HydrophobicContact CD1-CZ 4.46Å; L826-F886 HydrophobicContact CD2-CE1 4.02Å; L826-F886 HydrophobicContact CD2-CE2 4.08Å; L826-F886 HydrophobicContact CD2-CZ 3.64Å
827	T	92.9	Very high	90.8	Very high	16 Å²	16	25.9 Å²	25.9	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-46.3	173.2	-68.4	0	0	0	0	112.1	K753 H823 S824 L825 L829 R830 Y831	K753-T827 HydrophobicContact CB-CG2 3.63Å; K753-T827 VanDerWaalsContact O-CG2 3.31Å; K753-T827 WeakPolarHBondContact O-CG2 3.5Å; H823-T827 WeakPolarHBondContact O-CB 3.44Å; H823-T827 PolarHBondContact O-N 3.36Å; H823-T827 PolarHBondContact O-OG1 2.73Å; S824-T827 WeakPolarHBondContact O-CB 3.47Å; S824-T827 PolarHBondContact O-N 2.87Å; L825-T827 VanDerWaalsContact C-N 3.29Å; L825-T827 PolarHBondContact O-N 2.72Å; T827-L829 VanDerWaalsContact C-N 3.31Å; T827-L829 PolarHBondContact O-N 3.03Å; T827-R830 PolarHBondContact O-N 2.89Å; T827-Y831 HydrophobicContact CG2-CD2 4.03Å; T827-Y831 PolarHBondContact O-N 3.2Å; T827-Y831 VanDerWaalsContact O-N 3.08Å
828	C	93.8	Very high	90.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-39	173.8	-75.3	0	0	0	0	112.3	M765 S824 L825 G832 F1488 L1492	M765-C828 HydrophobicContact SD-CB 4.07Å; S824-C828 PolarHBondContact O-N 3.13Å; S824-C828 PolarHBondContact O-SG 3.42Å; S824-C828 VanDerWaalsContact O-SG 3.39Å; L825-C828 WeakPolarHBondContact O-CB 3.16Å; L825-C828 PolarHBondContact O-N 3.4Å; C828-G832 WeakPolarHBondContact O-CA 3.39Å; C828-G832 PolarHBondContact O-N 3.44Å; C828-F1488 WeakPolarHBondContact O-CE2 3.33Å; C828-F1488 WeakPolarHBondContact O-CZ 3.12Å; C828-L1492 HydrophobicContact CB-CD1 3.87Å
829	L	92.8	Very high	90.3	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-51.1	175.2	-69.8	166.5	0	0	0	111.9	L825 L826 T827 Y831 L834 I862 L884 F1488	L825-L829 HydrophobicContact CG-CD1 4.41Å; L825-L829 WeakPolarHBondContact O-CG 3.33Å; L825-L829 PolarHBondContact O-N 2.6Å; L826-L829 PolarHBondContact O-N 3.31Å; T827-L829 VanDerWaalsContact C-N 3.31Å; T827-L829 PolarHBondContact O-N 3.03Å; L829-Y831 PolarHBondContact O-N 3.46Å; L829-L834 HydrophobicContact CD2-CD2 3.76Å; L829-I862 HydrophobicContact CD1-CD1 4.36Å; L829-I862 HydrophobicContact CD1-CG2 4.03Å; L829-L884 HydrophobicContact CD1-CD1 4.3Å; L829-L884 HydrophobicContact CD1-CD2 4.31Å; L829-L884 HydrophobicContact CD2-CD2 3.95Å; L829-F1488 HydrophobicContact CD2-CE1 3.84Å; L829-F1488 HydrophobicContact CD2-CZ 3.86Å; L829-F1488 HydrophobicContact CG-CZ 4.49Å
830	R	90.6	Very high	90.4	Very high	49 Å²	49	36.1 Å²	36.1	19%	0.185	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-42.8	-178.8	-70.4	-174.1	80.7	163.5	0	113.2	L826 T827 M847 V850 S851	L826-R830 WeakPolarHBondContact O-CG 3.42Å; L826-R830 PolarHBondContact O-N 2.85Å; T827-R830 PolarHBondContact O-N 2.89Å; R830-M847 HydrophobicContact CB-SD 3.96Å; R830-M847 HydrophobicContact CG-SD 3.72Å; R830-V850 HydrophobicContact CG-CG1 4.1Å; R830-V850 PolarHBondContact NH1-O 2.79Å; R830-S851 PolarHBondContact NH2-OG 3Å
831	Y	91.2	Very high	90.4	Very high	32 Å²	32	40.4 Å²	40.4	13%	0.125	21%	0.214	C	C	.	.	H	α-helix	trans	-115.1	-12	-165.3	-57.9	-49.9	0	0	0	114.5	K750 K753 T827 L829 E833	K750-Y831 VanDerWaalsContact CE-O 3.24Å; K750-Y831 WeakPolarHBondContact CE-O 3.45Å; K750-Y831 HydrophobicContact CG-CD1 3.91Å; K750-Y831 HydrophobicContact CG-CG 3.83Å; K753-Y831 HydrophobicContact CB-CD2 4.47Å; K753-Y831 HydrophobicContact CD-CE2 3.84Å; T827-Y831 HydrophobicContact CG2-CD2 4.03Å; T827-Y831 PolarHBondContact O-N 3.2Å; T827-Y831 VanDerWaalsContact O-N 3.08Å; L829-Y831 PolarHBondContact O-N 3.46Å; Y831-E833 PolarHBondContact O-N 3.17Å
832	G	89.8	Confident	90.3	Very high	3 Å²	3	42 Å²	42	3%	0.031	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	13.2	-179.5	0	0	0	0	0	114.9	C828 F1488 R1491	C828-G832 WeakPolarHBondContact O-CA 3.39Å; C828-G832 PolarHBondContact O-N 3.44Å; G832-F1488 WeakPolarHBondContact O-CD2 3.15Å; G832-F1488 WeakPolarHBondContact O-CE2 3.48Å; G832-R1491 PolarHBondContact O-NH2 2.88Å
833	E	88.8	Confident	90.2	Very high	119 Å²	119	42.1 Å²	42.1	56%	0.556	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	48.7	171.7	-69.3	148.9	-156.7	0	0	114.1	K750 Y831 R1491	K750-E833 IonicContact NZ-OE1 3.72Å; K750-E833 PolarHBondContact NZ-OE1 2.73Å; Y831-E833 PolarHBondContact O-N 3.17Å; E833-R1491 VanDerWaalsContact C-NH2 3.33Å; E833-R1491 PolarHBondContact O-NH2 2.94Å
834	L	90	Very high	90.2	Very high	17 Å²	17	45.7 Å²	45.7	9%	0.089	24%	0.235	C	C	.	.	S	Bend	trans	-65.1	-45.4	171.6	177.4	57.6	0	0	0	112	L829 W843 L884 L1480 F1488	L829-L834 HydrophobicContact CD2-CD2 3.76Å; L834-W843 HydrophobicContact CB-CZ2 4.28Å; L834-W843 HydrophobicContact CD2-CH2 4Å; L834-W843 HydrophobicContact CD2-CZ2 4.41Å; L834-L884 HydrophobicContact CD2-CD2 3.95Å; L834-L1480 HydrophobicContact CD1-CD1 4.13Å; L834-L1480 HydrophobicContact CD1-CD2 3.96Å; L834-L1480 HydrophobicContact CD2-CD1 3.93Å; L834-L1480 HydrophobicContact CG-CD1 4.14Å; L834-L1480 HydrophobicContact CG-CD2 4.22Å; L834-F1488 HydrophobicContact CB-CD2 3.66Å; L834-F1488 HydrophobicContact CB-CE2 3.73Å; L834-F1488 HydrophobicContact CB-CG 4.13Å; L834-F1488 HydrophobicContact CB-CZ 4.27Å; L834-F1488 HydrophobicContact CD1-CB 3.75Å; L834-F1488 HydrophobicContact CD1-CD1 3.95Å; L834-F1488 HydrophobicContact CD1-CD2 4.13Å; L834-F1488 HydrophobicContact CD1-CG 3.7Å; L834-F1488 HydrophobicContact CG-CD2 4.45Å; L834-F1488 HydrophobicContact CG-CG 4.44Å
835	A	87.8	Confident	90	Very high	23 Å²	23	49.8 Å²	49.8	19%	0.19	25%	0.25	C	S	.	.	S	Bend	trans	-139.4	158.3	174.3	0	0	0	0	0	110	W843	A835-W843 HydrophobicContact CB-CB 4.15Å; A835-W843 HydrophobicContact CB-CD2 3.96Å; A835-W843 HydrophobicContact CB-CG 3.7Å; A835-W843 PolarHBondContact O-NE1 2.92Å
836	N	84.2	Confident	89.9	Confident	84 Å²	84	49.7 Å²	49.7	45%	0.449	25%	0.251	S	S	.	.			trans	-91.7	111.8	-173.9	177.3	-1.4	0	0	0	111.3	V838 T839 D840	N836-V838 PolarHBondContact O-N 3.16Å; N836-V838 PolarHBondContact OD1-N 3.5Å; N836-T839 WeakPolarHBondContact CB-OG1 3.42Å; N836-T839 PolarHBondContact ND2-OG1 2.95Å; N836-T839 PolarHBondContact O-N 3.11Å; N836-T839 PolarHBondContact O-OG1 3.19Å; N836-D840 VanDerWaalsContact O-CB 3.29Å; N836-D840 WeakPolarHBondContact O-CB 3.4Å; N836-D840 PolarHBondContact O-N 2.75Å
837	I	84.5	Confident	89.8	Confident	83 Å²	83	49.6 Å²	49.6	43%	0.426	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.9	-177	-157.1	174	0	0	0	115.1	R844 M847	I837-R844 HydrophobicContact CG1-CB 4.2Å; I837-R844 HydrophobicContact CG1-CG 4.15Å; I837-M847 HydrophobicContact CD1-CB 3.79Å; I837-M847 HydrophobicContact CD1-CG 3.93Å; I837-M847 HydrophobicContact CG1-CB 4.44Å; I837-M847 HydrophobicContact CG1-CG 4.36Å
838	V	85.1	Confident	89.7	Confident	126 Å²	126	52.8 Å²	52.8	76%	0.764	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-39	178.8	-176	0	0	0	0	111.7	N836	N836-V838 PolarHBondContact O-N 3.16Å; N836-V838 PolarHBondContact OD1-N 3.5Å
839	T	88.7	Confident	89.5	Confident	111 Å²	111	53.2 Å²	53.2	68%	0.681	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-24.8	-175.8	56.7	0	0	0	0	113.1	N836	N836-T839 WeakPolarHBondContact CB-OG1 3.42Å; N836-T839 PolarHBondContact ND2-OG1 2.95Å; N836-T839 PolarHBondContact O-N 3.11Å; N836-T839 PolarHBondContact O-OG1 3.19Å
840	D	90.4	Very high	89.5	Confident	39 Å²	39	53.2 Å²	53.2	21%	0.209	27%	0.269	C	S	.	.			trans	-101.9	104.8	-178.6	-168.1	-43.9	0	0	0	110.7	N836 Q842 W843 R844 H1477	N836-D840 VanDerWaalsContact O-CB 3.29Å; N836-D840 WeakPolarHBondContact O-CB 3.4Å; N836-D840 PolarHBondContact O-N 2.75Å; D840-Q842 VanDerWaalsContact C-N 3.35Å; D840-Q842 WeakPolarHBondContact OD1-CB 3.21Å; D840-Q842 PolarHBondContact OD1-N 2.92Å; D840-W843 HydrophobicContact CB-CB 3.81Å; D840-W843 PolarHBondContact O-N 2.81Å; D840-W843 PolarHBondContact OD1-N 3.32Å; D840-R844 WeakPolarHBondContact O-CB 3.48Å; D840-R844 PolarHBondContact O-N 2.92Å; D840-H1477 IonicContact OD2-CD2 3.39Å
841	E	88.7	Confident	89.5	Confident	95 Å²	95	51.6 Å²	51.6	44%	0.444	27%	0.265	S	S	.	.	H	α-helix	trans	-73.3	-26.5	-176.8	-137.4	-123.3	129.8	0	0	113	R844 R845	E841-R844 IonicContact OE1-CZ 3.64Å; E841-R844 IonicContact OE1-NH2 2.67Å; E841-R844 PolarHBondContact OE1-NH2 3.18Å; E841-R845 VanDerWaalsContact O-CG 3.3Å; E841-R845 WeakPolarHBondContact O-CG 3.49Å; E841-R845 PolarHBondContact O-N 2.82Å; E841-R845 VanDerWaalsContact O-N 3.16Å; E841-R845 IonicContact OE1-CZ 3.95Å; E841-R845 VanDerWaalsContact OE1-CZ 3.32Å; E841-R845 IonicContact OE1-NE 3.54Å; E841-R845 PolarHBondContact OE1-NE 3.06Å; E841-R845 IonicContact OE1-NH2 3.15Å; E841-R845 PolarHBondContact OE1-NH2 3.33Å; E841-R845 IonicContact OE2-CZ 3.95Å; E841-R845 IonicContact OE2-NE 2.63Å; E841-R845 IonicContact OE2-NH2 2.87Å; E841-R845 PolarHBondContact OE2-NH2 3.37Å
842	Q	89.9	Confident	89.4	Confident	36 Å²	36	51.4 Å²	51.4	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-69.9	-50	173.6	176.5	178.3	61.5	0	0	109.5	D840 R844 R845 A846 H1477 N1478	D840-Q842 VanDerWaalsContact C-N 3.35Å; D840-Q842 WeakPolarHBondContact OD1-CB 3.21Å; D840-Q842 PolarHBondContact OD1-N 2.92Å; Q842-R844 VanDerWaalsContact C-N 3.28Å; Q842-R844 PolarHBondContact O-N 3.44Å; Q842-R845 PolarHBondContact O-N 3.09Å; Q842-A846 WeakPolarHBondContact O-CB 3.31Å; Q842-A846 PolarHBondContact O-N 2.81Å; Q842-H1477 VanDerWaalsContact OE1-CA 3.31Å; Q842-N1478 VanDerWaalsContact NE2-CG 3.33Å; Q842-N1478 PolarHBondContact NE2-OD1 3.19Å; Q842-N1478 PolarHBondContact OE1-OD1 2.96Å
843	W	91.7	Very high	89.4	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-39.1	177.6	-165.3	-120	0	0	0	111.5	L834 A835 D840 A846 M847 L884 L1476 H1477	L834-W843 HydrophobicContact CB-CZ2 4.28Å; L834-W843 HydrophobicContact CD2-CH2 4Å; L834-W843 HydrophobicContact CD2-CZ2 4.41Å; A835-W843 HydrophobicContact CB-CB 4.15Å; A835-W843 HydrophobicContact CB-CD2 3.96Å; A835-W843 HydrophobicContact CB-CG 3.7Å; A835-W843 PolarHBondContact O-NE1 2.92Å; D840-W843 HydrophobicContact CB-CB 3.81Å; D840-W843 PolarHBondContact O-N 2.81Å; D840-W843 PolarHBondContact OD1-N 3.32Å; W843-A846 HydrophobicContact CE3-CB 4.45Å; W843-A846 WeakPolarHBondContact O-CB 3.37Å; W843-A846 PolarHBondContact O-N 2.96Å; W843-M847 HydrophobicContact CD2-CE 3.94Å; W843-M847 HydrophobicContact CE3-CE 4.01Å; W843-M847 HydrophobicContact CH2-CE 3.62Å; W843-M847 HydrophobicContact CZ2-CE 3.53Å; W843-M847 HydrophobicContact CZ2-SD 4.09Å; W843-M847 HydrophobicContact CZ3-CE 3.85Å; W843-M847 WeakPolarHBondContact O-CB 3.38Å; W843-M847 VanDerWaalsContact O-CG 3.27Å; W843-M847 WeakPolarHBondContact O-CG 3.48Å; W843-M847 PolarHBondContact O-N 2.84Å; W843-L884 HydrophobicContact CH2-CD2 3.87Å; W843-L884 HydrophobicContact CZ3-CD2 3.88Å; W843-L1476 HydrophobicContact CZ3-CB 4Å; W843-H1477 HydrophobicContact CE3-CB 4.04Å; W843-H1477 AromaticContact CE3-CD2 3.86Å; W843-H1477 HydrophobicContact CZ3-CB 4.1Å
844	R	91.2	Very high	89.3	Confident	94 Å²	94	48.4 Å²	48.4	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-57.2	-54.7	173	-167.6	-177.5	64.1	72.4	-2.1	112.1	I837 D840 E841 Q842 A846 M847 D848	I837-R844 HydrophobicContact CG1-CB 4.2Å; I837-R844 HydrophobicContact CG1-CG 4.15Å; D840-R844 WeakPolarHBondContact O-CB 3.48Å; D840-R844 PolarHBondContact O-N 2.92Å; E841-R844 IonicContact OE1-CZ 3.64Å; E841-R844 IonicContact OE1-NH2 2.67Å; E841-R844 PolarHBondContact OE1-NH2 3.18Å; Q842-R844 VanDerWaalsContact C-N 3.28Å; Q842-R844 PolarHBondContact O-N 3.44Å; R844-A846 VanDerWaalsContact C-N 3.27Å; R844-A846 PolarHBondContact O-N 3.42Å; R844-M847 PolarHBondContact O-N 3.15Å; R844-M847 VanDerWaalsContact O-N 3.14Å; R844-D848 IonicContact NH1-OD2 2.65Å; R844-D848 PolarHBondContact NH1-OD2 2.87Å; R844-D848 VanDerWaalsContact NH1-OD2 3.15Å; R844-D848 PolarHBondContact O-N 3.17Å
845	R	90.1	Very high	89.2	Confident	87 Å²	87	49.3 Å²	49.3	33%	0.328	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-36.2	177.3	-66.4	173.1	-166.8	-174.5	9.5	112.3	E841 Q842 D848 Y849	E841-R845 VanDerWaalsContact O-CG 3.3Å; E841-R845 WeakPolarHBondContact O-CG 3.49Å; E841-R845 PolarHBondContact O-N 2.82Å; E841-R845 VanDerWaalsContact O-N 3.16Å; E841-R845 IonicContact OE1-CZ 3.95Å; E841-R845 VanDerWaalsContact OE1-CZ 3.32Å; E841-R845 IonicContact OE1-NE 3.54Å; E841-R845 PolarHBondContact OE1-NE 3.06Å; E841-R845 IonicContact OE1-NH2 3.15Å; E841-R845 PolarHBondContact OE1-NH2 3.33Å; E841-R845 IonicContact OE2-CZ 3.95Å; E841-R845 IonicContact OE2-NE 2.63Å; E841-R845 IonicContact OE2-NH2 2.87Å; E841-R845 PolarHBondContact OE2-NH2 3.37Å; Q842-R845 PolarHBondContact O-N 3.09Å; R845-D848 PolarHBondContact O-N 2.88Å; R845-Y849 WeakPolarHBondContact O-CB 3.45Å; R845-Y849 PolarHBondContact O-N 3.13Å
846	A	91.6	Very high	89.4	Confident	7 Å²	7	49 Å²	49	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-40.9	175.5	0	0	0	0	0	112.4	Q842 W843 R844 Y849 V850 L1476	Q842-A846 WeakPolarHBondContact O-CB 3.31Å; Q842-A846 PolarHBondContact O-N 2.81Å; W843-A846 HydrophobicContact CE3-CB 4.45Å; W843-A846 WeakPolarHBondContact O-CB 3.37Å; W843-A846 PolarHBondContact O-N 2.96Å; R844-A846 VanDerWaalsContact C-N 3.27Å; R844-A846 PolarHBondContact O-N 3.42Å; A846-Y849 PolarHBondContact O-N 2.69Å; A846-V850 VanDerWaalsContact O-CG2 3.31Å; A846-V850 WeakPolarHBondContact O-CG2 3.24Å; A846-V850 PolarHBondContact O-N 3.47Å; A846-L1476 HydrophobicContact CB-CB 3.98Å; A846-L1476 HydrophobicContact CB-CD2 3.91Å; A846-L1476 VanDerWaalsContact CB-O 3.24Å; A846-L1476 WeakPolarHBondContact CB-O 3.43Å
847	M	92.3	Very high	89.8	Confident	9 Å²	9	45.2 Å²	45.2	4%	0.044	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-36.8	174.6	-68.1	-52.5	97.3	0	0	112	R830 I837 W843 R844 V850 S851	R830-M847 HydrophobicContact CB-SD 3.96Å; R830-M847 HydrophobicContact CG-SD 3.72Å; I837-M847 HydrophobicContact CD1-CB 3.79Å; I837-M847 HydrophobicContact CD1-CG 3.93Å; I837-M847 HydrophobicContact CG1-CB 4.44Å; I837-M847 HydrophobicContact CG1-CG 4.36Å; W843-M847 HydrophobicContact CD2-CE 3.94Å; W843-M847 HydrophobicContact CE3-CE 4.01Å; W843-M847 HydrophobicContact CH2-CE 3.62Å; W843-M847 HydrophobicContact CZ2-CE 3.53Å; W843-M847 HydrophobicContact CZ2-SD 4.09Å; W843-M847 HydrophobicContact CZ3-CE 3.85Å; W843-M847 WeakPolarHBondContact O-CB 3.38Å; W843-M847 VanDerWaalsContact O-CG 3.27Å; W843-M847 WeakPolarHBondContact O-CG 3.48Å; W843-M847 PolarHBondContact O-N 2.84Å; R844-M847 PolarHBondContact O-N 3.15Å; R844-M847 VanDerWaalsContact O-N 3.14Å; M847-V850 PolarHBondContact O-N 3.45Å; M847-S851 WeakPolarHBondContact O-CB 3.41Å; M847-S851 PolarHBondContact O-N 2.61Å
848	D	90	Very high	90.2	Very high	83 Å²	83	41.5 Å²	41.5	44%	0.444	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-48.2	173	-70	-31.1	0	0	0	110.8	R844 R845 S851 S852	R844-D848 IonicContact NH1-OD2 2.65Å; R844-D848 PolarHBondContact NH1-OD2 2.87Å; R844-D848 VanDerWaalsContact NH1-OD2 3.15Å; R844-D848 PolarHBondContact O-N 3.17Å; R845-D848 PolarHBondContact O-N 2.88Å; D848-S851 WeakPolarHBondContact O-CA 3.16Å; D848-S851 VanDerWaalsContact O-CB 3.29Å; D848-S851 WeakPolarHBondContact O-CB 3.37Å; D848-S851 PolarHBondContact O-N 2.97Å; D848-S851 VanDerWaalsContact O-N 3.07Å; D848-S852 PolarHBondContact O-N 3.07Å; D848-S852 VanDerWaalsContact O-N 3.14Å
849	Y	90.9	Very high	90.7	Very high	10 Å²	10	35.5 Å²	35.5	4%	0.039	18%	0.181	C	C	.	.	H	α-helix	trans	-56.7	-50.9	173.3	170	-114.4	0	0	0	111.7	R845 A846 S851 S852 I853 F886 P888 P898 E1474 L1476	R845-Y849 WeakPolarHBondContact O-CB 3.45Å; R845-Y849 PolarHBondContact O-N 3.13Å; A846-Y849 PolarHBondContact O-N 2.69Å; Y849-S851 PolarHBondContact O-N 2.96Å; Y849-S852 PolarHBondContact O-N 3.1Å; Y849-S852 PolarHBondContact O-OG 2.74Å; Y849-I853 HydrophobicContact CD1-CD1 4.31Å; Y849-I853 HydrophobicContact CE1-CD1 3.8Å; Y849-I853 HydrophobicContact CE2-CD1 4.18Å; Y849-I853 HydrophobicContact CE2-CG1 4.37Å; Y849-I853 PolarHBondContact O-N 3.21Å; Y849-F886 HydrophobicContact CE1-CD1 4.43Å; Y849-P888 WeakPolarHBondContact OH-CD 3.41Å; Y849-P898 HydrophobicContact CD2-CB 4.44Å; Y849-P898 HydrophobicContact CE2-CB 4.22Å; Y849-P898 HydrophobicContact CE2-CG 4.28Å; Y849-E1474 HydrophobicContact CD1-CB 4.46Å; Y849-E1474 HydrophobicContact CE1-CB 3.88Å; Y849-E1474 HydrophobicContact CE1-CG 3.78Å; Y849-E1474 HydrophobicContact CE2-CG 4.4Å; Y849-L1476 HydrophobicContact CD1-CD2 4.31Å
850	V	91.7	Very high	91.1	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-65	-20.9	177.6	176	0	0	0	0	112.5	L826 R830 A846 M847 F886 L1476	L826-V850 HydrophobicContact CD1-CG1 4.15Å; L826-V850 HydrophobicContact CD2-CG1 3.86Å; L826-V850 HydrophobicContact CG-CG1 4.09Å; R830-V850 HydrophobicContact CG-CG1 4.1Å; R830-V850 PolarHBondContact NH1-O 2.79Å; A846-V850 VanDerWaalsContact O-CG2 3.31Å; A846-V850 WeakPolarHBondContact O-CG2 3.24Å; A846-V850 PolarHBondContact O-N 3.47Å; M847-V850 PolarHBondContact O-N 3.45Å; V850-F886 HydrophobicContact CG2-CD1 4.11Å; V850-F886 HydrophobicContact CG2-CE1 4.41Å; V850-L1476 HydrophobicContact CG2-CD1 4.5Å; V850-L1476 HydrophobicContact CG2-CD2 3.89Å
851	S	90.8	Very high	91.3	Very high	14 Å²	14	28.5 Å²	28.5	10%	0.098	14%	0.139	C	C	.	.	H	α-helix	trans	-78.1	-20	171.5	-135.5	0	0	0	0	114.2	R627 S628 R830 M847 D848 Y849	R627-S851 PolarHBondContact N-O 3.09Å; S628-S851 PolarHBondContact N-O 2.81Å; S628-S851 PolarHBondContact OG-O 2.89Å; R830-S851 PolarHBondContact NH2-OG 3Å; M847-S851 WeakPolarHBondContact O-CB 3.41Å; M847-S851 PolarHBondContact O-N 2.61Å; D848-S851 WeakPolarHBondContact O-CA 3.16Å; D848-S851 VanDerWaalsContact O-CB 3.29Å; D848-S851 WeakPolarHBondContact O-CB 3.37Å; D848-S851 PolarHBondContact O-N 2.97Å; D848-S851 VanDerWaalsContact O-N 3.07Å; Y849-S851 PolarHBondContact O-N 2.96Å
852	S	89.4	Confident	91.7	Very high	29 Å²	29	24.2 Å²	24.2	20%	0.203	12%	0.119	C	C	.	.	H	α-helix	trans	-89.4	-15.8	-179	70.5	0	0	0	0	114.2	D848 Y849 P898	D848-S852 PolarHBondContact O-N 3.07Å; D848-S852 VanDerWaalsContact O-N 3.14Å; Y849-S852 PolarHBondContact O-N 3.1Å; Y849-S852 PolarHBondContact O-OG 2.74Å; S852-P898 WeakPolarHBondContact OG-CB 3.18Å
853	I	89.9	Confident	92	Very high	18 Å²	18	22.5 Å²	22.5	9%	0.092	11%	0.111	C	C	.	.			trans	-75.7	130.7	-179.4	-66	167.2	0	0	0	110.5	S628 Y849 E855 F886 P888 P898	S628-I853 WeakPolarHBondContact CB-O 3.41Å; S628-I853 PolarHBondContact OG-O 2.95Å; Y849-I853 HydrophobicContact CD1-CD1 4.31Å; Y849-I853 HydrophobicContact CE1-CD1 3.8Å; Y849-I853 HydrophobicContact CE2-CD1 4.18Å; Y849-I853 HydrophobicContact CE2-CG1 4.37Å; Y849-I853 PolarHBondContact O-N 3.21Å; I853-E855 WeakPolarHBondContact CG2-O 3.13Å; I853-F886 HydrophobicContact CD1-CD1 4.31Å; I853-F886 HydrophobicContact CD1-CE1 3.68Å; I853-P888 HydrophobicContact CD1-CB 4.16Å; I853-P888 HydrophobicContact CD1-CG 4.14Å; I853-P888 HydrophobicContact CG2-CB 3.83Å; I853-P898 HydrophobicContact CG1-CG 4.06Å
854	S	86.4	Confident	92.2	Very high	41 Å²	41	23 Å²	23	29%	0.287	11%	0.114	S	C	.	.			trans	-89.5	-49	178.2	52.1	0	0	0	0	113.4	K735	K735-S854 VanDerWaalsContact NZ-CB 3.34Å; K735-S854 PolarHBondContact NZ-OG 3.27Å
855	E	88.5	Confident	92.2	Very high	36 Å²	36	18.9 Å²	18.9	17%	0.168	10%	0.099	C	C	.	.			trans	-118.5	136.4	-180	-164.2	-165.3	170.3	0	0	112.3	R355 Y708 K712 I853 N857	R355-E855 IonicContact NH1-OE1 3.61Å; Y708-E855 PolarHBondContact OH-OE2 3.35Å; K712-E855 IonicContact NZ-OE1 2.76Å; K712-E855 PolarHBondContact NZ-OE1 3.49Å; K712-E855 IonicContact NZ-OE2 3.99Å; K712-E855 PolarHBondContact NZ-OE2 3.39Å; I853-E855 WeakPolarHBondContact CG2-O 3.13Å; E855-N857 HydrophobicContact CG-CB 4.42Å; E855-N857 PolarHBondContact O-N 3.33Å; E855-N857 PolarHBondContact OE1-OD1 3.4Å
856	I	92	Very high	92.2	Very high	16 Å²	16	14.8 Å²	14.8	8%	0.082	8%	0.084	C	C	.	.			trans	-86.9	80.4	163.6	-58.7	-168.8	0	0	0	107.7	R355 I822 L826 A860	R355-I856 PolarHBondContact NH1-O 2.99Å; I822-I856 HydrophobicContact CB-CG2 4.04Å; I822-I856 HydrophobicContact CG2-CD1 4.39Å; I822-I856 HydrophobicContact CG2-CG2 3.49Å; I822-I856 VanDerWaalsContact CG2-CG2 3.49Å; L826-I856 HydrophobicContact CD2-CD1 3.73Å; I856-A860 HydrophobicContact CB-CB 4.48Å; I856-A860 HydrophobicContact CG2-CB 3.36Å
857	N	92	Very high	91.9	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	8%	0.082	C	C	.	.			trans	-71.6	178.8	-167.7	-159	0.6	0	0	0	113.2	R355 K712 E855 A860 P888 A890 F891	R355-N857 VanDerWaalsContact CD-O 3.28Å; R355-N857 WeakPolarHBondContact CD-O 3.45Å; R355-N857 VanDerWaalsContact NH1-CA 3.32Å; R355-N857 PolarHBondContact NH1-O 2.83Å; K712-N857 PolarHBondContact NZ-OD1 2.82Å; E855-N857 HydrophobicContact CG-CB 4.42Å; E855-N857 PolarHBondContact O-N 3.33Å; E855-N857 PolarHBondContact OE1-OD1 3.4Å; N857-A860 WeakPolarHBondContact O-CB 3.38Å; N857-A860 PolarHBondContact O-N 2.83Å; N857-A860 VanDerWaalsContact O-N 3.07Å; N857-P888 WeakPolarHBondContact CB-O 3.12Å; N857-P888 PolarHBondContact N-O 3.25Å; N857-A890 WeakPolarHBondContact CB-O 3.39Å; N857-A890 PolarHBondContact ND2-O 3.02Å; N857-F891 PolarHBondContact ND2-O 3.13Å; N857-F891 VanDerWaalsContact ND2-O 3.16Å
858	Y	93.6	Very high	91.4	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.02	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	143.5	-179.9	-59.9	-49.3	0	0	0	112	H356 D358 R359 A860 G889 A890	H356-Y858 AromaticContact CE1-CE1 3.88Å; H356-Y858 AromaticContact ND1-CD1 3.98Å; D358-Y858 HydrophobicContact CB-CD2 3.68Å; D358-Y858 HydrophobicContact CB-CE2 3.73Å; D358-Y858 HydrophobicContact CB-CG 4.4Å; D358-Y858 WeakPolarHBondContact OD1-CE2 3.4Å; R359-Y858 HydrophobicContact CG-CE1 4.12Å; R359-Y858 PolarHBondContact NH1-OH 2.97Å; Y858-A860 PolarHBondContact O-N 2.97Å; Y858-G889 CarbonylContact O-C 3.51Å; Y858-G889 WeakPolarHBondContact O-CA 3.06Å; Y858-A890 PolarHBondContact O-N 2.87Å
859	L	95.3	Very high	90.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	17.2	-172.1	-50.1	179.9	0	0	0	116.1	I354 R355 H356 Q503 A504 L507 T554 V1470	I354-L859 HydrophobicContact CG2-CD2 4.47Å; R355-L859 WeakPolarHBondContact O-CA 3.34Å; R355-L859 WeakPolarHBondContact O-CD2 3.34Å; H356-L859 PolarHBondContact O-N 2.89Å; H356-L859 VanDerWaalsContact O-N 3.1Å; Q503-L859 HydrophobicContact CB-CD1 3.54Å; A504-L859 HydrophobicContact CB-CD2 4.37Å; L507-L859 HydrophobicContact CB-CD1 4.14Å; L507-L859 HydrophobicContact CD2-CB 3.71Å; L507-L859 HydrophobicContact CD2-CD1 3.79Å; L507-L859 HydrophobicContact CD2-CD2 4.49Å; L507-L859 HydrophobicContact CD2-CG 4.21Å; T554-L859 HydrophobicContact CG2-CD2 3.53Å; L859-V1470 HydrophobicContact CB-CG2 4.45Å; L859-V1470 HydrophobicContact CD1-CG2 4.1Å
860	A	96	Very high	89.8	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.091	C	C	.	.			trans	-54.8	141.6	168	0	0	0	0	0	111.3	I354 R355 I822 I856 N857 Y858 S887 P888 G889	I354-A860 CarbonylContact C-O 3.51Å; I354-A860 WeakPolarHBondContact CA-O 3.21Å; R355-A860 HydrophobicContact CB-CB 4.44Å; R355-A860 PolarHBondContact N-O 2.93Å; I822-A860 HydrophobicContact CG2-CB 4.47Å; I856-A860 HydrophobicContact CB-CB 4.48Å; I856-A860 HydrophobicContact CG2-CB 3.36Å; N857-A860 WeakPolarHBondContact O-CB 3.38Å; N857-A860 PolarHBondContact O-N 2.83Å; N857-A860 VanDerWaalsContact O-N 3.07Å; Y858-A860 PolarHBondContact O-N 2.97Å; A860-S887 WeakPolarHBondContact CA-O 3.39Å; A860-P888 WeakPolarHBondContact CB-O 3.36Å; A860-G889 VanDerWaalsContact CA-CA 3.49Å
861	Q	96	Very high	88.8	Confident	4 Å²	4	21.1 Å²	21.1	2%	0.019	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	132.6	-158.3	56.4	-169.4	7.7	0	0	112.9	V353 I354 F886 S887 L1473	V353-Q861 VanDerWaalsContact O-CA 3.29Å; V353-Q861 WeakPolarHBondContact O-CA 3.22Å; I354-Q861 HydrophobicContact CG1-CB 4.15Å; Q861-F886 CarbonylContact O-C 3.52Å; Q861-F886 WeakPolarHBondContact O-CA 3.18Å; Q861-F886 WeakPolarHBondContact O-CD2 3.43Å; Q861-S887 PolarHBondContact N-O 3.11Å; Q861-S887 PolarHBondContact O-N 3.41Å; Q861-L1473 HydrophobicContact CG-CD2 3.94Å
862	I	97.1	Very high	88	Confident	4 Å²	4	22.3 Å²	22.3	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.4	170.8	-62	163.3	0	0	0	106.8	A352 V353 I822 L825 L826 L829 L884 F886	A352-I862 CarbonylContact C-O 3.58Å; A352-I862 WeakPolarHBondContact CA-O 3.29Å; V353-I862 PolarHBondContact N-O 2.61Å; V353-I862 PolarHBondContact O-N 2.72Å; I822-I862 HydrophobicContact CG2-CD1 4.26Å; L825-I862 HydrophobicContact CB-CD1 4.02Å; L825-I862 HydrophobicContact CD2-CD1 3.92Å; L825-I862 HydrophobicContact CG-CD1 3.9Å; L826-I862 HydrophobicContact CB-CD1 4.21Å; L829-I862 HydrophobicContact CD1-CD1 4.36Å; L829-I862 HydrophobicContact CD1-CG2 4.03Å; I862-L884 HydrophobicContact CG2-CD1 3.94Å; I862-F886 HydrophobicContact CG1-CD2 3.62Å; I862-F886 HydrophobicContact CG1-CE2 4.03Å
863	V	96	Very high	87.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.5	-178.1	-173.4	0	0	0	0	109.9	V350 I351 A352 F511 I514 M865 H885 L1473	V350-V863 HydrophobicContact CG1-CG1 4.09Å; I351-V863 CarbonylContact O-C 3.57Å; I351-V863 WeakPolarHBondContact O-CA 3.2Å; A352-V863 HydrophobicContact CB-CG2 4.08Å; F511-V863 HydrophobicContact CE1-CG2 4.07Å; F511-V863 HydrophobicContact CZ-CG2 3.63Å; I514-V863 HydrophobicContact CD1-CG1 4.31Å; V863-M865 HydrophobicContact CG1-CG 4.06Å; V863-H885 HydrophobicContact CB-CB 4.37Å; V863-H885 PolarHBondContact N-O 2.93Å; V863-H885 PolarHBondContact O-N 2.81Å; V863-L1473 HydrophobicContact CB-CD2 4.49Å; V863-L1473 HydrophobicContact CG2-CD1 4.11Å; V863-L1473 HydrophobicContact CG2-CD2 3.83Å
864	I	94.4	Very high	86.2	Confident	14 Å²	14	29.9 Å²	29.9	7%	0.072	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.3	172.8	-53.2	172.4	0	0	0	107.1	I351 I768 I866 V882 E883 L884 L1485	I351-I864 HydrophobicContact CB-CB 4.31Å; I351-I864 PolarHBondContact N-O 2.73Å; I351-I864 PolarHBondContact O-N 2.75Å; I768-I864 HydrophobicContact CG2-CD1 4.06Å; I864-I866 HydrophobicContact CG2-CG1 4.34Å; I864-V882 HydrophobicContact CG2-CG1 3.76Å; I864-E883 WeakPolarHBondContact CA-O 3.49Å; I864-L884 HydrophobicContact CG1-CD1 3.91Å; I864-L1485 HydrophobicContact CG2-CD2 3.98Å
865	M	91.7	Very high	85.4	Confident	9 Å²	9	37.5 Å²	37.5	4%	0.044	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.7	175.9	-64.5	177.6	64.3	0	0	109	L347 C349 V350 I514 V863 Y867 V882 E883	L347-M865 HydrophobicContact CD1-CB 4.28Å; L347-M865 HydrophobicContact CD1-CE 3.83Å; L347-M865 HydrophobicContact CD2-CE 4.24Å; C349-M865 WeakPolarHBondContact O-CA 3.14Å; V350-M865 HydrophobicContact CG1-CG 4.44Å; V350-M865 HydrophobicContact CG2-CG 4.32Å; I514-M865 HydrophobicContact CB-CE 4.34Å; I514-M865 HydrophobicContact CB-SD 4.32Å; I514-M865 WeakPolarHBondContact O-CE 3.18Å; V863-M865 HydrophobicContact CG1-CG 4.06Å; M865-Y867 HydrophobicContact CB-CD2 4.45Å; M865-Y867 HydrophobicContact CB-CE2 3.72Å; M865-Y867 HydrophobicContact CE-CE2 4.5Å; M865-Y867 VanDerWaalsContact CE-OH 3.29Å; M865-Y867 WeakPolarHBondContact CE-OH 3.47Å; M865-V882 WeakPolarHBondContact O-CA 3.27Å; M865-E883 HydrophobicContact CB-CB 4.45Å; M865-E883 PolarHBondContact N-O 3.38Å; M865-E883 PolarHBondContact O-N 2.94Å
866	I	89.7	Confident	84.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.5	-178.5	-49	179.4	0	0	0	108.1	R348 C349 A772 I864 H881 V882 L1482	R348-I866 WeakPolarHBondContact CA-O 3.42Å; R348-I866 PolarHBondContact N-O 3.2Å; C349-I866 HydrophobicContact CB-CB 4Å; C349-I866 HydrophobicContact CB-CD1 4.03Å; C349-I866 HydrophobicContact CB-CG1 4.15Å; C349-I866 PolarHBondContact N-O 3.25Å; C349-I866 PolarHBondContact O-N 2.59Å; A772-I866 HydrophobicContact CB-CD1 3.77Å; I864-I866 HydrophobicContact CG2-CG1 4.34Å; I866-H881 WeakPolarHBondContact CA-O 3.44Å; I866-V882 HydrophobicContact CG1-CG2 4.31Å; I866-V882 HydrophobicContact CG2-CG2 4.33Å; I866-L1482 HydrophobicContact CD1-CD1 4.16Å
867	Y	85.8	Confident	83.9	Confident	8 Å²	8	43.1 Å²	43.1	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	156.2	179.9	-56.1	-106.4	0	0	0	110.5	V337 T339 M345 E346 L347 M865 F880 H881 E883	V337-Y867 HydrophobicContact CB-CE1 4.22Å; V337-Y867 HydrophobicContact CG2-CD1 4.3Å; V337-Y867 HydrophobicContact CG2-CE1 3.84Å; T339-Y867 HydrophobicContact CG2-CD1 3.89Å; T339-Y867 HydrophobicContact CG2-CD2 4.26Å; T339-Y867 HydrophobicContact CG2-CE1 3.9Å; T339-Y867 HydrophobicContact CG2-CE2 4.29Å; T339-Y867 HydrophobicContact CG2-CG 4.05Å; M345-Y867 HydrophobicContact CB-CD1 4.24Å; M345-Y867 HydrophobicContact CB-CG 4.44Å; E346-Y867 CarbonylContact O-C 3.47Å; E346-Y867 WeakPolarHBondContact O-CA 3.49Å; L347-Y867 HydrophobicContact CB-CD1 4.32Å; L347-Y867 HydrophobicContact CB-CE1 4.46Å; L347-Y867 HydrophobicContact CD1-CD1 4.18Å; L347-Y867 HydrophobicContact CD1-CE1 4.05Å; L347-Y867 HydrophobicContact CD1-CE2 4.46Å; L347-Y867 HydrophobicContact CD1-CG 4.48Å; M865-Y867 HydrophobicContact CB-CD2 4.45Å; M865-Y867 HydrophobicContact CB-CE2 3.72Å; M865-Y867 HydrophobicContact CE-CE2 4.5Å; M865-Y867 VanDerWaalsContact CE-OH 3.29Å; M865-Y867 WeakPolarHBondContact CE-OH 3.47Å; Y867-F880 WeakPolarHBondContact O-CA 3.21Å; Y867-H881 AromaticContact CD2-CD2 3.9Å; Y867-H881 PolarHBondContact N-O 3.16Å; Y867-H881 PolarHBondContact O-N 2.93Å; Y867-E883 HydrophobicContact CD2-CG 4.49Å; Y867-E883 HydrophobicContact CE2-CB 4.39Å; Y867-E883 HydrophobicContact CE2-CG 3.79Å; Y867-E883 PolarHBondContact OH-OE2 2.9Å; Y867-E883 VanDerWaalsContact OH-OE2 3.09Å
868	E	82	Confident	83.1	Confident	7 Å²	7	51.5 Å²	51.5	3%	0.033	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.1	176.8	179.9	-176.1	159.4	0	0	110.7	E346 R348 R808 R879 F880	E346-E868 PolarHBondContact N-O 3.36Å; E346-E868 PolarHBondContact O-N 3.06Å; R348-E868 WeakPolarHBondContact CD-OE2 3.43Å; R348-E868 HydrophobicContact CG-CB 3.4Å; R348-E868 IonicContact CZ-OE2 2.65Å; R348-E868 IonicContact NE-OE2 2.67Å; R348-E868 PolarHBondContact NE-OE2 3.07Å; R348-E868 IonicContact NH2-OE2 2.76Å; R808-E868 IonicContact NH2-OE1 3.31Å; E868-R879 VanDerWaalsContact CA-O 3.31Å; E868-R879 WeakPolarHBondContact CA-O 3.49Å; E868-R879 HydrophobicContact CG-CG 4.04Å; E868-R879 IonicContact OE1-CZ 2.74Å; E868-R879 IonicContact OE1-NE 3.84Å; E868-R879 PolarHBondContact OE1-NE 2.86Å; E868-R879 IonicContact OE1-NH2 3.22Å; E868-R879 PolarHBondContact OE1-NH2 3.16Å; E868-F880 HydrophobicContact CB-CD1 3.88Å; E868-F880 HydrophobicContact CB-CE1 3.73Å; E868-F880 HydrophobicContact CG-CD1 4.12Å; E868-F880 HydrophobicContact CG-CE1 3.66Å; E868-F880 HydrophobicContact CG-CZ 4.2Å
869	D	79.2	Confident	82.5	Confident	43 Å²	43	51.6 Å²	51.6	23%	0.23	26%	0.264	C	S	.	.			trans	-99.5	107.8	162.3	-174.8	-17.3	0	0	0	109.1	M345 T871 V872 R879	M345-D869 HydrophobicContact CE-CB 3.84Å; D869-T871 VanDerWaalsContact CG-OG1 3.32Å; D869-T871 PolarHBondContact O-N 3.31Å; D869-T871 WeakPolarHBondContact OD1-CA 3.44Å; D869-T871 VanDerWaalsContact OD1-CB 3.32Å; D869-T871 WeakPolarHBondContact OD1-CB 3.33Å; D869-T871 PolarHBondContact OD1-N 3.43Å; D869-T871 PolarHBondContact OD1-OG1 2.74Å; D869-T871 PolarHBondContact OD2-OG1 2.75Å; D869-V872 HydrophobicContact CB-CB 4.33Å; D869-V872 HydrophobicContact CB-CG2 3.97Å; D869-V872 PolarHBondContact O-N 3.06Å; D869-V872 WeakPolarHBondContact OD2-CG2 3.05Å; D869-R879 PolarHBondContact N-O 2.69Å
870	P	68.2	Low	82	Confident	68 Å²	68	52.9 Å²	52.9	44%	0.442	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.1	179.6	30.5	-34.3	0	0	0	114.4
871	T	71	Confident	81.6	Confident	124 Å²	124	54 Å²	54	76%	0.761	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.9	173.8	73.6	0	0	0	0	112.4	D869	D869-T871 VanDerWaalsContact CG-OG1 3.32Å; D869-T871 PolarHBondContact O-N 3.31Å; D869-T871 WeakPolarHBondContact OD1-CA 3.44Å; D869-T871 VanDerWaalsContact OD1-CB 3.32Å; D869-T871 WeakPolarHBondContact OD1-CB 3.33Å; D869-T871 PolarHBondContact OD1-N 3.43Å; D869-T871 PolarHBondContact OD1-OG1 2.74Å; D869-T871 PolarHBondContact OD2-OG1 2.75Å
872	V	74.3	Confident	81.3	Confident	39 Å²	39	53.9 Å²	53.9	24%	0.236	27%	0.274	C	S	.	.	S	Bend	trans	-91.2	137	-177.4	172.9	0	0	0	0	110.7	D869 T876 K878 R879	D869-V872 HydrophobicContact CB-CB 4.33Å; D869-V872 HydrophobicContact CB-CG2 3.97Å; D869-V872 PolarHBondContact O-N 3.06Å; D869-V872 WeakPolarHBondContact OD2-CG2 3.05Å; V872-T876 WeakPolarHBondContact CG1-OG1 3.21Å; V872-K878 HydrophobicContact CG1-CB 4.29Å; V872-R879 HydrophobicContact CB-CB 4.38Å; V872-R879 HydrophobicContact CG1-CB 3.98Å
873	E	73.6	Confident	81.1	Confident	134 Å²	134	53.9 Å²	53.9	63%	0.626	27%	0.274	S	S	*	.			trans	-59.8	133.7	-169	-170.1	-178.7	-127	0	0	112.6	K875 T876	E873-K875 PolarHBondContact O-N 2.7Å; E873-T876 HydrophobicContact CB-CG2 4.23Å; E873-T876 PolarHBondContact O-N 3.06Å; E873-T876 PolarHBondContact O-OG1 3.27Å
874	P	66.8	Low	81	Confident	72 Å²	72	54 Å²	54	47%	0.468	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-28.2	-167.4	-35.3	37.7	0	0	0	118.2	Y799 R879	Y799-P874 HydrophobicContact CD2-CB 4.5Å; Y799-P874 HydrophobicContact CE2-CB 4.17Å; P874-R879 PolarHBondContact O-NH1 2.66Å
875	K	69.8	Low	81	Confident	201 Å²	201	54 Å²	54	87%	0.874	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-5.4	-175.7	-64.2	-179.3	-179.9	175.9	0	114.3	E873	E873-K875 PolarHBondContact O-N 2.7Å
876	T	75.8	Confident	81.2	Confident	54 Å²	54	53.5 Å²	53.5	33%	0.331	27%	0.272	S	S	.	.	S	Bend	trans	-92.2	137	-173.5	63.5	0	0	0	0	112.1	V872 E873 K878 R879	V872-T876 WeakPolarHBondContact CG1-OG1 3.21Å; E873-T876 HydrophobicContact CB-CG2 4.23Å; E873-T876 PolarHBondContact O-N 3.06Å; E873-T876 PolarHBondContact O-OG1 3.27Å; T876-K878 PolarHBondContact O-N 2.89Å; T876-K878 VanDerWaalsContact O-N 3.07Å; T876-R879 WeakPolarHBondContact O-CB 3.47Å; T876-R879 PolarHBondContact O-N 3.43Å
877	E	73.9	Confident	81.4	Confident	116 Å²	116	53.5 Å²	53.5	54%	0.542	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-60.6	-22.9	-178.6	-62.1	-164.1	139.3	0	0	113.7	R879 T1481 S1483	E877-R879 PolarHBondContact O-N 2.61Å; E877-T1481 HydrophobicContact CB-CG2 4.42Å; E877-S1483 WeakPolarHBondContact OE1-CB 3.13Å; E877-S1483 PolarHBondContact OE1-OG 2.84Å
878	K	75.2	Confident	81.7	Confident	179 Å²	179	53.4 Å²	53.4	78%	0.778	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-69.6	-16	177.6	-66.7	-173.9	178.5	-178.6	0	113.9	V872 T876 F880	V872-K878 HydrophobicContact CG1-CB 4.29Å; T876-K878 PolarHBondContact O-N 2.89Å; T876-K878 VanDerWaalsContact O-N 3.07Å; K878-F880 VanDerWaalsContact C-N 3.27Å; K878-F880 PolarHBondContact O-N 2.84Å
879	R	80.8	Confident	82.2	Confident	7 Å²	7	53 Å²	53	3%	0.026	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-62.3	-33.4	178.8	178	170	173.1	-148.5	1.8	112.7	Y799 E868 D869 V872 P874 T876 E877	Y799-R879 VanDerWaalsContact CD1-NH2 3.32Å; E868-R879 VanDerWaalsContact CA-O 3.31Å; E868-R879 WeakPolarHBondContact CA-O 3.49Å; E868-R879 HydrophobicContact CG-CG 4.04Å; E868-R879 IonicContact OE1-CZ 2.74Å; E868-R879 IonicContact OE1-NE 3.84Å; E868-R879 PolarHBondContact OE1-NE 2.86Å; E868-R879 IonicContact OE1-NH2 3.22Å; E868-R879 PolarHBondContact OE1-NH2 3.16Å; D869-R879 PolarHBondContact N-O 2.69Å; V872-R879 HydrophobicContact CB-CB 4.38Å; V872-R879 HydrophobicContact CG1-CB 3.98Å; P874-R879 PolarHBondContact O-NH1 2.66Å; T876-R879 WeakPolarHBondContact O-CB 3.47Å; T876-R879 PolarHBondContact O-N 3.43Å; E877-R879 PolarHBondContact O-N 2.61Å
880	F	84.7	Confident	82.7	Confident	27 Å²	27	51.1 Å²	51.1	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.3	-175.6	-66.2	-75.5	0	0	0	112.6	Y867 E868 K878 L1482	Y867-F880 WeakPolarHBondContact O-CA 3.21Å; E868-F880 HydrophobicContact CB-CD1 3.88Å; E868-F880 HydrophobicContact CB-CE1 3.73Å; E868-F880 HydrophobicContact CG-CD1 4.12Å; E868-F880 HydrophobicContact CG-CE1 3.66Å; E868-F880 HydrophobicContact CG-CZ 4.2Å; K878-F880 VanDerWaalsContact C-N 3.27Å; K878-F880 PolarHBondContact O-N 2.84Å; F880-L1482 HydrophobicContact CB-CB 3.66Å; F880-L1482 HydrophobicContact CB-CD2 4.13Å; F880-L1482 HydrophobicContact CD1-CD2 4.45Å; F880-L1482 HydrophobicContact CD2-CD2 4.16Å; F880-L1482 HydrophobicContact CG-CB 4.42Å; F880-L1482 HydrophobicContact CG-CD2 4Å; F880-L1482 PolarHBondContact O-N 2.74Å
881	H	87	Confident	83.2	Confident	25 Å²	25	50.3 Å²	50.3	12%	0.116	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.1	-177.8	176.1	92	0	0	0	110.2	M345 I866 Y867 N1478	M345-H881 HydrophobicContact CE-CB 3.59Å; M345-H881 HydrophobicContact SD-CB 3.59Å; M345-H881 VanDerWaalsContact SD-CB 3.59Å; I866-H881 WeakPolarHBondContact CA-O 3.44Å; Y867-H881 AromaticContact CD2-CD2 3.9Å; Y867-H881 PolarHBondContact N-O 3.16Å; Y867-H881 PolarHBondContact O-N 2.93Å; H881-N1478 PolarHBondContact CE1-O 2.97Å; H881-N1478 PolarHBondContact NE2-O 2.96Å
882	V	90.5	Very high	82.9	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.9	-176.6	179.5	0	0	0	0	110.2	I864 M865 I866 L1480 L1482 L1485	I864-V882 HydrophobicContact CG2-CG1 3.76Å; M865-V882 WeakPolarHBondContact O-CA 3.27Å; I866-V882 HydrophobicContact CG1-CG2 4.31Å; I866-V882 HydrophobicContact CG2-CG2 4.33Å; V882-L1480 HydrophobicContact CB-CB 3.83Å; V882-L1480 HydrophobicContact CG1-CB 4.27Å; V882-L1480 PolarHBondContact N-O 3.22Å; V882-L1480 PolarHBondContact O-N 2.77Å; V882-L1482 HydrophobicContact CG2-CB 4.34Å; V882-L1482 HydrophobicContact CG2-CD1 4.49Å; V882-L1485 HydrophobicContact CG1-CD2 4.09Å
883	E	92.2	Very high	82.3	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.9	166.9	-58.8	-174.9	150.5	0	0	110.5	T340 I864 M865 Y867 H885 H1477 N1478	T340-E883 WeakPolarHBondContact CB-OE1 3.4Å; T340-E883 WeakPolarHBondContact CG2-OE1 2.97Å; T340-E883 PolarHBondContact N-OE1 3.05Å; T340-E883 PolarHBondContact OG1-OE1 3.09Å; I864-E883 WeakPolarHBondContact CA-O 3.49Å; M865-E883 HydrophobicContact CB-CB 4.45Å; M865-E883 PolarHBondContact N-O 3.38Å; M865-E883 PolarHBondContact O-N 2.94Å; Y867-E883 HydrophobicContact CD2-CG 4.49Å; Y867-E883 HydrophobicContact CE2-CB 4.39Å; Y867-E883 HydrophobicContact CE2-CG 3.79Å; Y867-E883 PolarHBondContact OH-OE2 2.9Å; Y867-E883 VanDerWaalsContact OH-OE2 3.09Å; E883-H885 WeakPolarHBondContact CB-NE2 3.48Å; E883-H885 IonicContact OE2-CD2 3.13Å; E883-H885 IonicContact OE2-CE1 3.09Å; E883-H885 PolarHBondContact OE2-CE1 2.85Å; E883-H885 IonicContact OE2-NE2 3.62Å; E883-H885 PolarHBondContact OE2-NE2 2.85Å; E883-H1477 WeakPolarHBondContact CA-O 3.42Å; E883-N1478 HydrophobicContact CG-CB 4.09Å
884	L	94.3	Very high	81.3	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.8	174.8	175.7	64.5	0	0	0	109	L829 L834 W843 I862 I864 L1476 H1477	L829-L884 HydrophobicContact CD1-CD1 4.3Å; L829-L884 HydrophobicContact CD1-CD2 4.31Å; L829-L884 HydrophobicContact CD2-CD2 3.95Å; L834-L884 HydrophobicContact CD2-CD2 3.95Å; W843-L884 HydrophobicContact CH2-CD2 3.87Å; W843-L884 HydrophobicContact CZ3-CD2 3.88Å; I862-L884 HydrophobicContact CG2-CD1 3.94Å; I864-L884 HydrophobicContact CG1-CD1 3.91Å; L884-L1476 HydrophobicContact CD2-CB 4.46Å; L884-L1476 HydrophobicContact CD2-CD1 4.39Å; L884-L1476 HydrophobicContact CG-CB 4.29Å; L884-L1476 HydrophobicContact CG-CD1 4.33Å; L884-L1476 WeakPolarHBondContact O-CA 3.34Å; L884-L1476 WeakPolarHBondContact O-CB 3.32Å; L884-L1476 PolarHBondContact O-N 2.72Å; L884-H1477 HydrophobicContact CB-CB 4.34Å; L884-H1477 PolarHBondContact N-O 2.78Å; L884-H1477 PolarHBondContact O-N 3.48Å; L884-H1477 VanDerWaalsContact O-N 3.13Å
885	H	94.2	Very high	80.4	Confident	13 Å²	13	45.9 Å²	45.9	6%	0.06	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151	-177.9	-53.9	-87.8	0	0	0	111	V863 E883 L1473 E1474 T1475	V863-H885 HydrophobicContact CB-CB 4.37Å; V863-H885 PolarHBondContact N-O 2.93Å; V863-H885 PolarHBondContact O-N 2.81Å; E883-H885 WeakPolarHBondContact CB-NE2 3.48Å; E883-H885 IonicContact OE2-CD2 3.13Å; E883-H885 IonicContact OE2-CE1 3.09Å; E883-H885 PolarHBondContact OE2-CE1 2.85Å; E883-H885 IonicContact OE2-NE2 3.62Å; E883-H885 PolarHBondContact OE2-NE2 2.85Å; H885-L1473 HydrophobicContact CB-CB 4.2Å; H885-L1473 HydrophobicContact CB-CD2 4.2Å; H885-E1474 CarbonylContact C-O 3.54Å; H885-E1474 WeakPolarHBondContact CA-O 3.27Å; H885-T1475 PolarHBondContact CE1-OG1 2.85Å; H885-T1475 WeakPolarHBondContact ND1-CA 3.49Å; H885-T1475 PolarHBondContact ND1-OG1 2.91Å
886	F	95.3	Very high	79.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.1	179.3	177.2	-118	0	0	0	111.9	I822 L826 Y849 V850 I853 Q861 I862 E1474 L1476	I822-F886 HydrophobicContact CG2-CE2 4.42Å; L826-F886 HydrophobicContact CD1-CD2 4.35Å; L826-F886 HydrophobicContact CD1-CE2 4.37Å; L826-F886 HydrophobicContact CD1-CG 4.46Å; L826-F886 HydrophobicContact CD1-CZ 4.46Å; L826-F886 HydrophobicContact CD2-CE1 4.02Å; L826-F886 HydrophobicContact CD2-CE2 4.08Å; L826-F886 HydrophobicContact CD2-CZ 3.64Å; Y849-F886 HydrophobicContact CE1-CD1 4.43Å; V850-F886 HydrophobicContact CG2-CD1 4.11Å; V850-F886 HydrophobicContact CG2-CE1 4.41Å; I853-F886 HydrophobicContact CD1-CD1 4.31Å; I853-F886 HydrophobicContact CD1-CE1 3.68Å; Q861-F886 CarbonylContact O-C 3.52Å; Q861-F886 WeakPolarHBondContact O-CA 3.18Å; Q861-F886 WeakPolarHBondContact O-CD2 3.43Å; I862-F886 HydrophobicContact CG1-CD2 3.62Å; I862-F886 HydrophobicContact CG1-CE2 4.03Å; F886-E1474 PolarHBondContact N-O 3.09Å; F886-E1474 PolarHBondContact O-N 2.81Å; F886-L1476 HydrophobicContact CB-CD1 3.61Å; F886-L1476 HydrophobicContact CB-CD2 4.1Å; F886-L1476 HydrophobicContact CB-CG 3.82Å; F886-L1476 HydrophobicContact CG-CD1 4.42Å
887	S	94.1	Very high	77.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	137	165.2	156.8	0	0	0	0	110.5	A860 Q861 G889 Y1471 P1472	A860-S887 WeakPolarHBondContact CA-O 3.39Å; Q861-S887 PolarHBondContact N-O 3.11Å; Q861-S887 PolarHBondContact O-N 3.41Å; S887-G889 PolarHBondContact O-N 3Å; S887-G889 VanDerWaalsContact O-N 3.12Å; S887-G889 PolarHBondContact OG-N 2.74Å; S887-G889 VanDerWaalsContact OG-N 3.17Å; S887-Y1471 WeakPolarHBondContact CB-O 3.43Å; S887-Y1471 PolarHBondContact OG-O 3Å; S887-P1472 WeakPolarHBondContact CB-O 3.25Å
888	P	93	Very high	76.5	Confident	5 Å²	5	39 Å²	39	3%	0.032	20%	0.195	C	C	.	.			trans	-71.1	4.2	175.7	27.7	-32.1	0	0	0	114.4	Y849 I853 N857 A860 Y1471	Y849-P888 WeakPolarHBondContact OH-CD 3.41Å; I853-P888 HydrophobicContact CD1-CB 4.16Å; I853-P888 HydrophobicContact CD1-CG 4.14Å; I853-P888 HydrophobicContact CG2-CB 3.83Å; N857-P888 WeakPolarHBondContact CB-O 3.12Å; N857-P888 PolarHBondContact N-O 3.25Å; A860-P888 WeakPolarHBondContact CB-O 3.36Å; P888-Y1471 HydrophobicContact CG-CD2 3.69Å; P888-Y1471 HydrophobicContact CG-CE2 4.29Å; P888-Y1471 HydrophobicContact CG-CG 4.07Å
889	G	92.9	Very high	74.8	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.			trans	93.7	-145.9	171.8	0	0	0	0	0	113.4	Y858 A860 S887 V1470 Y1471	Y858-G889 CarbonylContact O-C 3.51Å; Y858-G889 WeakPolarHBondContact O-CA 3.06Å; A860-G889 VanDerWaalsContact CA-CA 3.49Å; S887-G889 PolarHBondContact O-N 3Å; S887-G889 VanDerWaalsContact O-N 3.12Å; S887-G889 PolarHBondContact OG-N 2.74Å; S887-G889 VanDerWaalsContact OG-N 3.17Å; G889-V1470 WeakPolarHBondContact O-CA 3.28Å; G889-Y1471 VanDerWaalsContact O-CD2 3.28Å; G889-Y1471 WeakPolarHBondContact O-CD2 3.4Å; G889-Y1471 PolarHBondContact O-N 3.48Å
890	A	88.7	Confident	72.8	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.017	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-57.1	148.1	178.7	0	0	0	0	0	112.3	N857 Y858 P1468 E1469	N857-A890 WeakPolarHBondContact CB-O 3.39Å; N857-A890 PolarHBondContact ND2-O 3.02Å; Y858-A890 PolarHBondContact O-N 2.87Å; A890-P1468 HydrophobicContact CB-CB 4.32Å; A890-E1469 CarbonylContact C-O 3.58Å; A890-E1469 WeakPolarHBondContact CA-O 3.41Å
891	F	79.2	Confident	70.6	Confident	51 Å²	51	42.9 Å²	42.9	22%	0.224	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-56.2	141.9	171.7	-67.6	-13.2	0	0	0	111	N857 E1469 Y1471	N857-F891 PolarHBondContact ND2-O 3.13Å; N857-F891 VanDerWaalsContact ND2-O 3.16Å; F891-E1469 HydrophobicContact CD2-CB 3.89Å; F891-E1469 HydrophobicContact CE2-CB 3.59Å; F891-E1469 HydrophobicContact CE2-CG 4.44Å; F891-E1469 WeakPolarHBondContact CE2-OE2 3.46Å; F891-E1469 WeakPolarHBondContact CG-O 3.2Å; F891-E1469 HydrophobicContact CZ-CB 3.98Å; F891-E1469 PolarHBondContact N-O 3.17Å; F891-Y1471 AromaticContact CD1-CD1 3.64Å; F891-Y1471 HydrophobicContact CD1-CD1 3.64Å; F891-Y1471 AromaticContact CD1-CD2 3.81Å; F891-Y1471 HydrophobicContact CD1-CD2 3.81Å; F891-Y1471 AromaticContact CD1-CE1 3.58Å; F891-Y1471 HydrophobicContact CD1-CE1 3.58Å; F891-Y1471 AromaticContact CD1-CE2 3.82Å; F891-Y1471 HydrophobicContact CD1-CE2 3.82Å; F891-Y1471 AromaticContact CD1-CG 3.75Å; F891-Y1471 HydrophobicContact CD1-CG 3.75Å; F891-Y1471 AromaticContact CD1-CZ 3.7Å; F891-Y1471 AromaticContact CE1-CD1 3.44Å; F891-Y1471 HydrophobicContact CE1-CD1 3.44Å; F891-Y1471 VanDerWaalsContact CE1-CD1 3.44Å; F891-Y1471 HydrophobicContact CE1-CD2 4.37Å; F891-Y1471 AromaticContact CE1-CE1 3.67Å; F891-Y1471 HydrophobicContact CE1-CE1 3.67Å; F891-Y1471 AromaticContact CE1-CG 3.82Å; F891-Y1471 HydrophobicContact CE1-CG 3.82Å
892	A	64.2	Low	68.1	Low	20 Å²	20	42.7 Å²	42.7	17%	0.165	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-73	156.6	165.4	0	0	0	0	0	109.4	C894	A892-C894 CarbonylContact C-O 3.59Å; A892-C894 PolarHBondContact O-N 3.22Å
893	L	62.5	Low	65.6	Low	69 Å²	69	47.7 Å²	47.7	36%	0.361	26%	0.262	S	S	.	.	S	Bend	trans	-73.1	-10.8	178.3	-71.6	137.7	0	0	0	113	K712 L715 Q716 F731	K712-L893 HydrophobicContact CG-CD1 4.23Å; L715-L893 HydrophobicContact CD2-CB 4.39Å; L715-L893 HydrophobicContact CD2-CD1 4.1Å; L715-L893 HydrophobicContact CD2-CD2 4.37Å; L715-L893 HydrophobicContact CG-CD1 4.47Å; L715-L893 HydrophobicContact CG-CD2 4.35Å; Q716-L893 HydrophobicContact CG-CD1 3.99Å; Q716-L893 HydrophobicContact CG-CD2 4.18Å; F731-L893 HydrophobicContact CE1-CB 4.38Å; F731-L893 HydrophobicContact CE2-CD1 4.12Å; F731-L893 HydrophobicContact CZ-CB 4.18Å; F731-L893 HydrophobicContact CZ-CD1 4.17Å
894	C	51.9	Low	63.2	Low	28 Å²	28	53.9 Å²	53.9	19%	0.189	29%	0.285	C	S	.	.	S	Bend	trans	-103.9	134.8	162.3	-148.7	0	0	0	0	108.1	M732 A892 D896	M732-C894 HydrophobicContact SD-CB 4.31Å; A892-C894 CarbonylContact C-O 3.59Å; A892-C894 PolarHBondContact O-N 3.22Å; C894-D896 PolarHBondContact O-N 2.66Å
895	H	48.3	Very low	60.1	Low	159 Å²	159	57.2 Å²	57.2	74%	0.736	31%	0.308	S	S	*	.			trans	-78.3	42.5	-174.1	-79.3	-75.9	0	0	0	113.4	L897	H895-L897 PolarHBondContact O-N 3.15Å
896	D	45.8	Very low	56.9	Low	88 Å²	88	59.3 Å²	59.3	47%	0.471	33%	0.333	S	S	.	.			trans	-76.3	71.4	175.9	-56.4	-39	0	0	0	109.9	C894 P898	C894-D896 PolarHBondContact O-N 2.66Å; D896-P898 WeakPolarHBondContact O-CD 3.24Å
897	L	44.1	Very low	53.5	Low	113 Å²	113	69.1 Å²	69.1	59%	0.592	38%	0.376	S	S	*	.			trans	-57.2	120.2	163.5	-99.9	164.3	0	0	0	107.8	H895 E899 Y1471	H895-L897 PolarHBondContact O-N 3.15Å; L897-E899 PolarHBondContact O-N 3.22Å; L897-E899 VanDerWaalsContact O-N 3.16Å; L897-Y1471 HydrophobicContact CD2-CD1 4.23Å; L897-Y1471 HydrophobicContact CD2-CE1 3.67Å; L897-Y1471 HydrophobicContact CG-CE1 4.21Å
898	P	47.7	Very low	50.2	Low	27 Å²	27	76.4 Å²	76.4	18%	0.175	41%	0.414	C	S	.	.			trans	-65.3	120.9	-177.2	-17.6	29.2	0	0	0	110.7	Y849 S852 I853 D896 G900	Y849-P898 HydrophobicContact CD2-CB 4.44Å; Y849-P898 HydrophobicContact CE2-CB 4.22Å; Y849-P898 HydrophobicContact CE2-CG 4.28Å; S852-P898 WeakPolarHBondContact OG-CB 3.18Å; I853-P898 HydrophobicContact CG1-CG 4.06Å; D896-P898 WeakPolarHBondContact O-CD 3.24Å; P898-G900 PolarHBondContact O-N 2.84Å
899	E	40.5	Very low	47	Very low	177 Å²	177	82.2 Å²	82.2	83%	0.827	45%	0.449	S	S	*	.			trans	-66.7	96.2	176.6	-68.1	-169.1	140.8	0	0	110.3	L897	L897-E899 PolarHBondContact O-N 3.22Å; L897-E899 VanDerWaalsContact O-N 3.16Å
900	G	38.4	Very low	43.7	Very low	35 Å²	35	91.6 Å²	91.6	36%	0.361	49%	0.485	S	S	.	.			trans	-153.6	142.9	-178.4	0	0	0	0	0	112.6	P898 G902	P898-G900 PolarHBondContact O-N 2.84Å; G900-G902 PolarHBondContact O-N 2.87Å
901	S	38.2	Very low	40.6	Very low	81 Å²	81	98.9 Å²	98.9	57%	0.566	52%	0.522	S	S	*	.			trans	-80.2	48.8	-178.8	47.6	0	0	0	0	113
902	G	35.1	Very low	38	Very low	21 Å²	21	102.8 Å²	102.8	22%	0.216	55%	0.546	C	S	.	.			trans	-58.8	145.2	174.1	0	0	0	0	0	112.3	G900 R904	G900-G902 PolarHBondContact O-N 2.87Å; G902-R904 VanDerWaalsContact C-N 3.31Å; G902-R904 PolarHBondContact O-N 2.86Å
903	F	36.2	Very low	36.1	Very low	107 Å²	107	106.8 Å²	106.8	47%	0.469	57%	0.572	S	S	.	*			trans	-81	75.9	-171.6	-152.6	-86.7	0	0	0	111.4	S905	F903-S905 PolarHBondContact O-N 2.96Å
904	R	43.5	Very low	34.3	Very low	133 Å²	133	111.8 Å²	111.8	50%	0.502	59%	0.594	S	S	.	*			trans	-66.4	92.6	-177	-64.6	-172.2	179.1	-62.9	-18	112.1	G902 G906 E1474	G902-R904 VanDerWaalsContact C-N 3.31Å; G902-R904 PolarHBondContact O-N 2.86Å; R904-G906 VanDerWaalsContact C-N 3.29Å; R904-G906 PolarHBondContact O-N 3.27Å; R904-E1474 IonicContact CZ-OE1 2.75Å; R904-E1474 IonicContact CZ-OE2 3.8Å; R904-E1474 IonicContact NH1-OE1 2.86Å; R904-E1474 PolarHBondContact NH1-OE1 2.95Å; R904-E1474 IonicContact NH1-OE2 2.63Å; R904-E1474 IonicContact NH2-OE1 3.71Å; R904-E1474 PolarHBondContact NH2-OE1 2.84Å
905	S	29.3	Very low	33	Very low	72 Å²	72	119.6 Å²	119.6	50%	0.503	63%	0.63	S	S	.	*			trans	-71.6	79.3	173.7	-64.9	0	0	0	0	111.6	T340 F903	T340-S905 WeakPolarHBondContact CG2-OG 3.45Å; F903-S905 PolarHBondContact O-N 2.96Å
906	G	26.2	Very low	31.8	Very low	57 Å²	57	116.9 Å²	116.9	59%	0.588	63%	0.629	S	S	*	*	S	Bend	trans	150.2	135.6	174.8	0	0	0	0	0	112.8	R904 L908	R904-G906 VanDerWaalsContact C-N 3.29Å; R904-G906 PolarHBondContact O-N 3.27Å; G906-L908 PolarHBondContact O-N 3.3Å
907	K	23.6	Very low	30.9	Very low	207 Å²	207	119 Å²	119	90%	0.9	65%	0.645	S	S	*	*			trans	-67.8	101.6	173.6	-79.9	-176.2	176.4	177.8	0	110	V909	K907-V909 VanDerWaalsContact C-N 3.29Å; K907-V909 PolarHBondContact O-N 3.01Å
908	L	26.1	Very low	29.9	Very low	152 Å²	152	122.9 Å²	122.9	80%	0.796	66%	0.662	S	S	*	*			trans	-66.5	92.2	162	-162.5	87.7	0	0	0	108.4	G906 R910	G906-L908 PolarHBondContact O-N 3.3Å; L908-R910 PolarHBondContact O-N 3.09Å
909	V	24.2	Very low	28.7	Very low	127 Å²	127	126.8 Å²	126.8	77%	0.77	69%	0.69	S	S	*	*			trans	-59.2	113.5	164.9	176.3	0	0	0	0	106.3	K907 L911	K907-V909 VanDerWaalsContact C-N 3.29Å; K907-V909 PolarHBondContact O-N 3.01Å; V909-L911 PolarHBondContact O-N 3.27Å
910	R	23.3	Very low	27.9	Very low	198 Å²	198	123.9 Å²	123.9	75%	0.747	69%	0.689	S	S	*	*			trans	-54.8	113.3	-172.5	-78.8	-179.8	170.9	169.5	-3.9	110.5	L908 N912	L908-R910 PolarHBondContact O-N 3.09Å; R910-N912 HydrophobicContact CB-CB 4.39Å; R910-N912 PolarHBondContact O-N 2.66Å
911	L	24.1	Very low	27.3	Very low	154 Å²	154	125.7 Å²	125.7	81%	0.806	71%	0.708	S	S	*	*			trans	-75	23.9	164.2	-93.4	164.6	0	0	0	112.9	V909 S913	V909-L911 PolarHBondContact O-N 3.27Å; L911-S913 PolarHBondContact O-N 2.7Å
912	N	23.9	Very low	26.9	Very low	134 Å²	134	128 Å²	128	72%	0.717	72%	0.719	S	S	*	*			trans	-82.6	40.4	168.8	-70.9	25.2	0	0	0	111.4	R910	R910-N912 HydrophobicContact CB-CB 4.39Å; R910-N912 PolarHBondContact O-N 2.66Å
913	S	26	Very low	26.6	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	75%	0.745	S	S	*	*	S	Bend	trans	-126.9	25.3	178.8	-61.3	0	0	0	0	112.4	L911	L911-S913 PolarHBondContact O-N 2.7Å
914	Q	24.1	Very low	26.2	Very low	174 Å²	174	133.4 Å²	133.4	81%	0.813	76%	0.761	S	S	*	*	S	Bend	trans	-144.4	-12.1	166.4	-113.4	169.2	20.8	0	0	115.5	S916	Q914-S916 PolarHBondContact O-N 3.18Å
915	M	24.8	Very low	25.4	Very low	192 Å²	192	134.8 Å²	134.8	95%	0.946	78%	0.778	S	S	*	*	S	Bend	trans	-94.5	60.3	166.1	-69.8	-169.9	71.3	0	0	111.7
916	S	23.6	Very low	25.3	Very low	103 Å²	103	140.9 Å²	140.9	72%	0.72	80%	0.796	S	S	*	*			trans	-149.6	25.7	178.1	-169.9	0	0	0	0	113.9	Q914	Q914-S916 PolarHBondContact O-N 3.18Å
917	V	25.1	Very low	25.4	Very low	132 Å²	132	141.9 Å²	141.9	80%	0.8	81%	0.806	S	S	*	*	S	Bend	trans	-137.7	44.7	-179.7	-158	0	0	0	0	112.7
918	M	23.1	Very low	25.6	Very low	195 Å²	195	137.9 Å²	137.9	96%	0.961	80%	0.804	S	S	*	*	S	Bend	trans	-146.8	50.5	159.7	-76.2	-148.2	79.9	0	0	111.9
919	S	23.5	Very low	25.6	Very low	109 Å²	109	135 Å²	135	76%	0.762	80%	0.796	S	S	*	*	S	Bend	trans	-152.4	149.1	159.4	-162.5	0	0	0	0	111.3
920	S	24.5	Very low	25.9	Very low	115 Å²	115	135.5 Å²	135.5	80%	0.804	80%	0.795	S	S	*	*			trans	46.5	81.5	172.7	62.3	0	0	0	0	118.4
921	G	24.1	Very low	26.2	Very low	74 Å²	74	131.8 Å²	131.8	76%	0.763	80%	0.799	S	S	*	*				-102.1	140	109.2	0	0	0	0	0	106.6
922	T	30.4	Very low	26.3	Very low	130 Å²	130	131 Å²	131	80%	0.798	80%	0.8	S	S	*	*	S	Bend	cis	-136.4	142.9	39.4	47.1	0	0	0	0	114.9
923	S	29.5	Very low	26.6	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	80%	0.797	S	S	*	*			trans	37.5	128.5	143.3	60.3	0	0	0	0	121.7
924	V	26.5	Very low	26.5	Very low	131 Å²	131	133.3 Å²	133.3	79%	0.794	80%	0.804	S	S	*	*			trans	-49.7	137.5	160.6	177	0	0	0	0	112.2	K926	V924-K926 HydrophobicContact CG1-CB 4.45Å
925	D	27.1	Very low	26.6	Very low	162 Å²	162	130.7 Å²	130.7	87%	0.866	81%	0.805	S	S	*	*			trans	-131.7	134.8	148.4	-131.5	-28.4	0	0	0	108.1
926	K	27.9	Very low	26.8	Very low	200 Å²	200	126.3 Å²	126.3	87%	0.87	80%	0.8	S	S	*	*			trans	-156.3	102.5	178.2	-114.1	-166.9	179.9	-172.8	0	111.7	V924	V924-K926 HydrophobicContact CG1-CB 4.45Å
927	G	27.7	Very low	27	Very low	78 Å²	78	129.4 Å²	129.4	80%	0.804	81%	0.806	S	S	*	*			trans	-107.1	145.2	158.5	0	0	0	0	0	110.7
928	S	28	Very low	27.3	Very low	122 Å²	122	128.5 Å²	128.5	85%	0.853	80%	0.803	S	S	*	*			trans	-91	172.4	161.6	62.9	0	0	0	0	109.4
929	S	26.4	Very low	27.4	Very low	91 Å²	91	124.7 Å²	124.7	64%	0.636	80%	0.795	S	S	*	*			cis	-142.6	177.2	2.3	42.6	0	0	0	0	108.4
930	D	29.9	Very low	27.7	Very low	139 Å²	139	126 Å²	126	74%	0.743	80%	0.799	S	S	*	*				-179.5	169.8	73	-90.1	-31.5	0	0	0	112.7
931	S	31	Very low	27.9	Very low	119 Å²	119	126.3 Å²	126.3	83%	0.832	80%	0.796	S	S	*	*			trans	65.3	101.1	154.5	53.8	0	0	0	0	122.2
932	V	24.5	Very low	28.2	Very low	137 Å²	137	129 Å²	129	83%	0.83	80%	0.8	S	S	*	*			trans	-67.2	163.3	151.2	149.1	0	0	0	0	110.5
933	P	30.8	Very low	28.1	Very low	101 Å²	101	130.2 Å²	130.2	66%	0.656	80%	0.8	S	S	*	*			cis	-142.5	167.9	30.8	22.3	5.5	0	0	0	121.5
934	Q	24.1	Very low	28.1	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.864	80%	0.802	S	S	*	*			trans	42.3	119.4	139.4	-60.4	172.4	-10.4	0	0	122.2
935	S	26.4	Very low	28.1	Very low	120 Å²	120	130.9 Å²	130.9	84%	0.839	80%	0.801	S	S	*	*				175.1	176.5	100.9	50.7	0	0	0	0	112.5
936	A	29.8	Very low	28.2	Very low	100 Å²	100	127.9 Å²	127.9	83%	0.826	80%	0.799	S	S	*	*			trans	66.8	96.7	172.8	0	0	0	0	0	119.1
937	I	27.6	Very low	28.1	Very low	168 Å²	168	123.8 Å²	123.8	86%	0.862	80%	0.796	S	S	*	*			trans	-86.2	-179.9	158.7	22.9	170.1	0	0	0	110.1
938	P	30.7	Very low	28.2	Very low	113 Å²	113	129.1 Å²	129.1	73%	0.734	80%	0.8	S	S	*	*			cis	-132.8	172.4	3.4	31.4	-9.5	0	0	0	116.9
939	S	25.9	Very low	28.1	Very low	114 Å²	114	132.8 Å²	132.8	80%	0.797	80%	0.803	S	S	*	*			trans	-77.7	150	158.3	49.3	0	0	0	0	112
940	V	29.7	Very low	28.4	Very low	137 Å²	137	134.2 Å²	134.2	83%	0.83	80%	0.804	S	S	*	*			trans	-101.1	131.8	175	176.4	0	0	0	0	110.6
941	T	28.7	Very low	28.6	Very low	122 Å²	122	135.4 Å²	135.4	75%	0.748	80%	0.803	S	S	*	*			trans	-120.6	153.2	159.8	33.7	0	0	0	0	109
942	P	30	Very low	28.5	Very low	129 Å²	129	139.6 Å²	139.6	84%	0.838	81%	0.806	S	S	*	*			trans	-78.5	151.7	-160.7	30.4	-36.3	0	0	0	114.3
943	I	27.2	Very low	28.6	Very low	156 Å²	156	136.7 Å²	136.7	80%	0.8	80%	0.803	S	S	*	*			trans	-95.9	126.3	178.2	-60.7	170.5	0	0	0	110.2
944	V	29.5	Very low	28.4	Very low	136 Å²	136	139.3 Å²	139.3	82%	0.824	81%	0.811	S	S	*	*			trans	-132.1	129.6	150	178.3	0	0	0	0	106.2
945	P	27.6	Very low	28.5	Very low	119 Å²	119	139.1 Å²	139.1	77%	0.773	81%	0.807	S	S	*	*			trans	-81.9	130.9	-170.2	31.3	-34.4	0	0	0	112.5
946	A	28.7	Very low	28.5	Very low	100 Å²	100	139.5 Å²	139.5	83%	0.826	80%	0.8	S	S	*	*			trans	-136.7	126	157.7	0	0	0	0	0	108
947	S	26.2	Very low	28.6	Very low	113 Å²	113	145.1 Å²	145.1	79%	0.79	80%	0.8	S	S	*	*			trans	-84.3	118.9	176.9	50.2	0	0	0	0	110.2
948	E	29	Very low	28.5	Very low	191 Å²	191	143.3 Å²	143.3	89%	0.893	80%	0.801	S	S	*	*			trans	179.3	127.2	130.7	-100.3	166.2	-164.3	0	0	111
949	Q	26.6	Very low	28.2	Very low	199 Å²	199	143.1 Å²	143.1	93%	0.93	80%	0.802	S	S	*	*			trans	-143.7	125.2	159.1	-83.6	-163.9	-0.2	0	0	108.4
950	D	31.7	Very low	28.3	Very low	120 Å²	120	142.8 Å²	142.8	64%	0.642	80%	0.8	S	S	*	*			trans	-150.5	132.5	145.6	-154.4	-5.2	0	0	0	110.2
951	K	34.1	Very low	28.1	Very low	165 Å²	165	146.6 Å²	146.6	72%	0.717	80%	0.799	S	S	*	*			trans	58.7	120.5	169.4	-70	134.9	-166	161.3	0	116.8
952	K	30	Very low	27.9	Very low	207 Å²	207	147.5 Å²	147.5	90%	0.9	80%	0.795	S	S	*	*				47.1	119.1	55.2	-57.5	-177.7	178.2	177.4	0	112.3
953	G	25.7	Very low	27.8	Very low	75 Å²	75	146.4 Å²	146.4	77%	0.773	79%	0.786	S	S	*	*			cis	115.4	152.2	13.6	0	0	0	0	0	111.3
954	L	27	Very low	27.8	Very low	156 Å²	156	145.8 Å²	145.8	82%	0.817	78%	0.78	S	S	*	*			trans	101.5	110.7	169.6	-147.6	80.6	0	0	0	118
955	F	27.2	Very low	27.8	Very low	181 Å²	181	147.3 Å²	147.3	79%	0.794	78%	0.778	S	S	*	*			trans	42.9	154.3	141.2	-71.5	-112.7	0	0	0	122.6
956	D	25.6	Very low	27.8	Very low	129 Å²	129	146.1 Å²	146.1	69%	0.69	77%	0.772	S	S	*	*			cis	-166.7	179.6	-29.5	-154.4	-18.1	0	0	0	108.9
957	R	30.9	Very low	27.5	Very low	217 Å²	217	146 Å²	146	82%	0.819	77%	0.766	S	S	*	*			trans	-55.8	144.6	-168.5	-68.9	161.8	163.5	-171.4	-5.4	117.8
958	C	26.3	Very low	27.5	Very low	130 Å²	130	148.7 Å²	148.7	88%	0.878	77%	0.766	S	S	*	*			trans	-127.6	162.3	141.8	-94.1	0	0	0	0	108.6
959	S	25.2	Very low	27.4	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	76%	0.763	S	S	*	*			trans	-158.1	142.8	-172.8	-63.3	0	0	0	0	114
960	S	27.3	Very low	27.3	Very low	107 Å²	107	148.3 Å²	148.3	75%	0.748	76%	0.756	S	S	*	*			trans	-162.8	120.8	165	-83.7	0	0	0	0	108.4
961	R	25.3	Very low	27.2	Very low	218 Å²	218	151.6 Å²	151.6	82%	0.823	77%	0.767	S	S	*	*				76.4	141	79.8	-75.5	178.1	174	-166.6	2.1	111.8
962	Q	25	Very low	26.8	Very low	140 Å²	140	147 Å²	147	65%	0.654	75%	0.75	S	S	*	*			cis	-160.8	171.2	11.4	-134.9	164.8	-63.3	0	0	110.6
963	T	28.5	Very low	26.9	Very low	106 Å²	106	145.6 Å²	145.6	65%	0.65	75%	0.752	S	S	*	*			trans	62.1	150.9	155.6	50.6	0	0	0	0	117.8
964	E	26.6	Very low	27.2	Very low	143 Å²	143	144.3 Å²	144.3	67%	0.668	74%	0.739	S	S	*	*			cis	-163.9	164.9	-8.3	-124	170.3	-128	0	0	110.2
965	Q	29.9	Very low	27.1	Very low	169 Å²	169	140.8 Å²	140.8	79%	0.79	73%	0.727	S	S	*	*			trans	63.2	156.1	165.2	-59.3	153.9	44.3	0	0	115.2
966	S	26.7	Very low	27.1	Very low	94 Å²	94	137 Å²	137	66%	0.657	71%	0.711	S	S	*	*			cis	-152	139.4	-25.6	52.7	0	0	0	0	104.9
967	S	22.2	Very low	27.2	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	70%	0.702	S	S	*	*				45.5	139.7	72.3	68.4	0	0	0	0	115
968	E	26.1	Very low	27.3	Very low	168 Å²	168	130.2 Å²	130.2	79%	0.785	70%	0.699	S	S	*	*			trans	72.5	137.6	-173.6	-49.2	176	174	0	0	113.2
969	Y	28.4	Very low	27.5	Very low	216 Å²	216	129.2 Å²	129.2	85%	0.847	69%	0.694	S	S	*	*			cis	-117.2	132.5	7.2	-92.7	-107.9	0	0	0	113.5
970	H	23.5	Very low	27.6	Very low	166 Å²	166	130.9 Å²	130.9	77%	0.769	69%	0.69	S	S	*	*			trans	-101.7	133.9	142.7	-109.4	-79.1	0	0	0	106.3
971	Q	28.7	Very low	27.5	Very low	189 Å²	189	129.9 Å²	129.9	88%	0.883	68%	0.681	S	S	*	*			trans	178	156.2	132	-101.4	171.8	15.4	0	0	113.3
972	N	25.8	Very low	27.5	Very low	68 Å²	68	123 Å²	123	36%	0.364	67%	0.666	S	S	.	*			trans	-86.1	145.9	179	-68	-85.3	0	0	0	112.2	E985	N972-E985 PolarHBondContact ND2-OE2 2.63Å
973	L	32.2	Very low	27.5	Very low	178 Å²	178	122.1 Å²	122.1	93%	0.932	66%	0.661	S	S	*	*			trans	-156.5	111.9	143	-96.9	151.5	0	0	0	102.5
974	G	32.5	Very low	27.3	Very low	49 Å²	49	120.6 Å²	120.6	51%	0.505	66%	0.655	S	S	.	*				100.9	132.7	63.1	0	0	0	0	0	107.2
975	S	25.7	Very low	27.2	Very low	82 Å²	82	119.7 Å²	119.7	57%	0.573	65%	0.65	S	S	*	*			cis	177	124.1	-0.8	161.2	0	0	0	0	104.7
976	F	25.9	Very low	27	Very low	102 Å²	102	115.8 Å²	115.8	45%	0.447	64%	0.641	S	S	.	*			trans	70.4	145.7	160.4	-77.5	-126.1	0	0	0	120.8	C981 S982 F983	F976-C981 HydrophobicContact CE1-CB 4.48Å; F976-S982 VanDerWaalsContact CE1-CB 3.42Å; F976-F983 HydrophobicContact CD2-CB 4.14Å; F976-F983 HydrophobicContact CD2-CD2 4.49Å; F976-F983 HydrophobicContact CD2-CG 4.47Å; F976-F983 HydrophobicContact CE2-CB 3.95Å
977	D	27.8	Very low	26.9	Very low	95 Å²	95	116.7 Å²	116.7	51%	0.508	65%	0.648	S	S	.	*			trans	71.5	146.4	142.1	-68.1	-14	0	0	0	122.6	E980 C981	D977-E980 WeakPolarHBondContact OD1-CG 3.38Å; D977-C981 PolarHBondContact OD1-N 3.26Å
978	S	34.2	Very low	27.3	Very low	107 Å²	107	116.8 Å²	116.8	75%	0.748	65%	0.654	S	S	*	*	S	Bend	cis	-142.9	159.8	-0.7	29.7	0	0	0	0	111.7
979	S	29.8	Very low	27.4	Very low	110 Å²	110	115.9 Å²	115.9	77%	0.769	66%	0.655	S	S	*	*	S	Bend	cis	-130.5	131.5	9.3	57.4	0	0	0	0	111.9
980	E	27.6	Very low	27.4	Very low	144 Å²	144	110.6 Å²	110.6	67%	0.673	64%	0.642	S	S	*	*	S	Bend	cis	-162.8	145	-4.7	-136	158.6	-121.9	0	0	109.7	D977	D977-E980 WeakPolarHBondContact OD1-CG 3.38Å
981	C	26.1	Very low	28	Very low	85 Å²	85	110.6 Å²	110.6	57%	0.574	64%	0.639	S	S	*	*			trans	57	135.4	166.8	-57.7	0	0	0	0	120.9	F976 D977	F976-C981 HydrophobicContact CE1-CB 4.48Å; D977-C981 PolarHBondContact OD1-N 3.26Å
982	S	24.9	Very low	27.7	Very low	73 Å²	73	105.9 Å²	105.9	51%	0.51	63%	0.633	S	S	.	*			cis	179.8	127	-20.8	43.7	0	0	0	0	113.3	F976	F976-S982 VanDerWaalsContact CE1-CB 3.42Å
983	F	24.8	Very low	27.8	Very low	123 Å²	123	107.8 Å²	107.8	54%	0.539	65%	0.651	S	S	.	*			trans	50.6	161	131	-109.5	-97.1	0	0	0	125.5	F976	F976-F983 HydrophobicContact CD2-CB 4.14Å; F976-F983 HydrophobicContact CD2-CD2 4.49Å; F976-F983 HydrophobicContact CD2-CG 4.47Å; F976-F983 HydrophobicContact CE2-CB 3.95Å
984	S	24.4	Very low	27.5	Very low	74 Å²	74	106.3 Å²	106.3	52%	0.517	64%	0.644	S	S	.	*			trans	-109.9	-170	-175.4	60.4	0	0	0	0	111.1
985	E	24.5	Very low	27.2	Very low	124 Å²	124	111 Å²	111	58%	0.579	66%	0.657	S	S	*	*			cis	-163.2	172.2	1.2	-148.6	-176.4	-133.3	0	0	111.7	N972	N972-E985 PolarHBondContact ND2-OE2 2.63Å
986	S	25.2	Very low	27.2	Very low	86 Å²	86	115.4 Å²	115.4	60%	0.601	67%	0.666	S	S	*	*			trans	97	137.3	136.1	76.4	0	0	0	0	123.3
987	S	24.7	Very low	26.9	Very low	114 Å²	114	121 Å²	121	80%	0.797	68%	0.684	S	S	*	*			trans	58.8	110.2	155.4	63.6	0	0	0	0	121.4
988	A	30.5	Very low	26.8	Very low	99 Å²	99	125.6 Å²	125.6	82%	0.818	69%	0.694	S	S	*	*				-160.7	153.1	101.6	0	0	0	0	0	112.6
989	N	28.2	Very low	26.1	Very low	149 Å²	149	125 Å²	125	80%	0.797	69%	0.69	S	S	*	*			trans	-60.4	170.3	172.8	-48.8	-24	0	0	0	111.8
990	D	28.9	Very low	25.9	Very low	106 Å²	106	128.6 Å²	128.6	57%	0.567	69%	0.693	S	S	*	*			cis	-167	177.2	19.6	-143	-32.9	0	0	0	112
991	K	34.8	Very low	25.5	Very low	166 Å²	166	129.3 Å²	129.3	72%	0.722	70%	0.701	S	S	*	*			trans	33.7	107.6	156.7	-67.6	134.1	-166.7	156.2	0	118.6
992	A	23.6	Very low	25.5	Very low	90 Å²	90	129.5 Å²	129.5	74%	0.744	70%	0.703	S	S	*	*				73.8	152.5	57.6	0	0	0	0	0	116
993	S	28.6	Very low	25.4	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	72%	0.719	S	S	*	*			trans	68.9	104.3	-172.2	0.6	0	0	0	0	114
994	D	25.1	Very low	25.5	Very low	147 Å²	147	138.2 Å²	138.2	79%	0.786	73%	0.733	S	S	*	*				76.6	123.1	63.5	-77.8	-57.4	0	0	0	115.1
995	L	26.2	Very low	25.5	Very low	147 Å²	147	141 Å²	141	77%	0.77	74%	0.742	S	S	*	*	S	Bend	trans	163.5	108	150.5	-88.9	158	0	0	0	106.4
996	F	25.5	Very low	25.6	Very low	175 Å²	175	140.2 Å²	140.2	77%	0.768	75%	0.746	S	S	*	*			cis	-137.5	146.6	14.3	-87.5	-94.9	0	0	0	112.9
997	R	20.8	Very low	25.6	Very low	221 Å²	221	145.8 Å²	145.8	83%	0.834	76%	0.756	S	S	*	*			trans	-134	94.5	159.3	179.5	-168.7	169.2	160.4	-0.8	110.6
998	W	24	Very low	25.6	Very low	190 Å²	190	148 Å²	148	72%	0.72	75%	0.753	S	S	*	*			trans	-137.1	125.7	169.2	-74.6	68.4	0	0	0	105.5
999	S	20.6	Very low	25.4	Very low	94 Å²	94	148 Å²	148	66%	0.657	74%	0.743	S	S	*	*			cis	58	105.6	38.4	-69.1	0	0	0	0	113.8
1000	F	24.6	Very low	25.2	Very low	187 Å²	187	150.3 Å²	150.3	82%	0.82	75%	0.746	S	S	*	*			trans	-128.2	80.6	162.1	-96.5	-77	0	0	0	109
1001	D	20.8	Very low	25.2	Very low	159 Å²	159	155 Å²	155	85%	0.85	76%	0.761	S	S	*	*			trans	-104.8	122.3	139.4	-95.4	-39.4	0	0	0	105.6
1002	S	24.7	Very low	24.7	Very low	89 Å²	89	154.4 Å²	154.4	62%	0.622	77%	0.766	S	S	*	*			trans	-165	81.3	172.7	-76.1	0	0	0	0	109.8
1003	D	22.2	Very low	24.8	Very low	159 Å²	159	159.2 Å²	159.2	85%	0.85	77%	0.773	S	S	*	*			trans	-68.4	163.4	145.4	-113.6	-33.7	0	0	0	109.3
1004	R	27.1	Very low	24.8	Very low	219 Å²	219	158.4 Å²	158.4	83%	0.826	77%	0.773	S	S	*	*			trans	79.2	145.3	177.7	-53.9	179.9	179.3	-175.9	-0.5	115.1
1005	N	25.3	Very low	24.9	Very low	133 Å²	133	159.7 Å²	159.7	71%	0.711	77%	0.774	S	S	*	*			cis	-159.2	166.1	-6.3	-117.1	1.5	0	0	0	112.4
1006	T	26.1	Very low	25.1	Very low	108 Å²	108	157.7 Å²	157.7	66%	0.663	77%	0.769	S	S	*	*			trans	32.4	106.6	134.7	-46.6	0	0	0	0	119.7
1007	Y	25.5	Very low	25.1	Very low	203 Å²	203	158.4 Å²	158.4	80%	0.796	77%	0.772	S	S	*	*			trans	51.9	116.1	142.1	-76.8	-98.9	0	0	0	121.7
1008	E	25.6	Very low	25.5	Very low	161 Å²	161	155 Å²	155	75%	0.752	77%	0.77	S	S	*	*				58.1	114.4	123.6	-71.2	-142.7	131.8	0	0	123.1
1009	V	25.6	Very low	25.6	Very low	99 Å²	99	152.6 Å²	152.6	60%	0.6	77%	0.771	S	S	*	*				103	137.4	113.5	165.5	0	0	0	0	120.7
1010	F	23.2	Very low	25.9	Very low	197 Å²	197	152.9 Å²	152.9	86%	0.864	77%	0.773	S	S	*	*			trans	54.6	114.9	169.6	-69.8	-49	0	0	0	121.2
1011	K	28.4	Very low	26.1	Very low	203 Å²	203	148.6 Å²	148.6	88%	0.883	77%	0.766	S	S	*	*				-151.9	152.8	127	-121.4	174.9	-176.6	-180	0	112.4
1012	N	25.9	Very low	26.6	Very low	155 Å²	155	148.5 Å²	148.5	83%	0.829	77%	0.765	S	S	*	*			trans	-145	167.8	175.7	-108.1	-13.2	0	0	0	108.7
1013	Q	24.6	Very low	26.7	Very low	190 Å²	190	151.1 Å²	151.1	89%	0.888	77%	0.771	S	S	*	*			trans	85.1	155.3	174.7	-57.4	-174.5	-33.4	0	0	118.2
1014	A	29.5	Very low	27.1	Very low	90 Å²	90	152.1 Å²	152.1	74%	0.744	77%	0.77	S	S	*	*			trans	68.3	111.3	-162.5	0	0	0	0	0	113.7
1015	E	27.8	Very low	27.2	Very low	174 Å²	174	150.4 Å²	150.4	81%	0.813	77%	0.772	S	S	*	*			cis	72	135.9	28	-54	-172.7	174.6	0	0	113.9
1016	T	28.5	Very low	27.2	Very low	106 Å²	106	149.1 Å²	149.1	65%	0.65	77%	0.772	S	S	*	*			cis	-166.7	139.6	2.4	22.4	0	0	0	0	111.1
1017	F	26.7	Very low	27.9	Very low	189 Å²	189	150 Å²	150	83%	0.829	78%	0.779	S	S	*	*			trans	53	168.8	148.1	-70.6	-107.6	0	0	0	119.2
1018	N	28.1	Very low	28	Very low	150 Å²	150	145 Å²	145	80%	0.802	77%	0.77	S	S	*	*			cis	-147.6	-172.5	6.4	-147.2	-10.9	0	0	0	112.6
1019	D	27.4	Very low	28.1	Very low	139 Å²	139	146.8 Å²	146.8	74%	0.743	77%	0.77	S	S	*	*			trans	-124.5	169.8	-158.9	-150.9	-18.5	0	0	0	116.1
1020	S	27.3	Very low	28.4	Very low	101 Å²	101	151.6 Å²	151.6	71%	0.706	78%	0.777	S	S	*	*			trans	70.4	162.6	158.5	82.8	0	0	0	0	119.9
1021	S	27.8	Very low	28.6	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	76%	0.761	S	S	*	*			cis	-173.1	166.6	-29.1	57.8	0	0	0	0	111.7
1022	L	30.4	Very low	28.7	Very low	157 Å²	157	142.6 Å²	142.6	82%	0.822	75%	0.749	S	S	*	*			trans	142.1	130.4	163.8	-81.1	163	0	0	0	108.5
1023	I	26.9	Very low	28.5	Very low	144 Å²	144	140.1 Å²	140.1	74%	0.738	74%	0.744	S	S	*	*			cis	104.4	144.8	19.6	-60.2	169.5	0	0	0	112.8
1024	E	31.7	Very low	28.5	Very low	180 Å²	180	136.6 Å²	136.6	84%	0.841	74%	0.735	S	S	*	*			trans	75.1	143.2	-173.2	-59.4	-169.9	178.9	0	0	117.1
1025	E	29.7	Very low	28.2	Very low	183 Å²	183	143.3 Å²	143.3	86%	0.855	74%	0.741	S	S	*	*			cis	-153.4	166.1	-38.1	-137.8	-169.7	-160.9	0	0	110.1
1026	C	24.3	Very low	27.9	Very low	106 Å²	106	140.3 Å²	140.3	72%	0.716	74%	0.737	S	S	*	*			trans	-129	142.6	-176	-68	0	0	0	0	113.6	V1028	C1026-V1028 WeakPolarHBondContact O-CG2 3.03Å
1027	P	40	Very low	27.7	Very low	127 Å²	127	142.2 Å²	142.2	83%	0.825	74%	0.744	S	S	*	*			trans	-93.9	115.2	139.7	-11.2	29.5	0	0	0	109.7
1028	V	27.6	Very low	27.8	Very low	97 Å²	97	141.8 Å²	141.8	59%	0.588	75%	0.749	S	S	*	*				75.5	126.6	58.5	171.9	0	0	0	0	112	C1026	C1026-V1028 WeakPolarHBondContact O-CG2 3.03Å
1029	R	28.2	Very low	27.7	Very low	200 Å²	200	138.7 Å²	138.7	76%	0.755	74%	0.744	S	S	*	*			cis	-169.3	-179.9	-15.6	-110.8	164.2	-160.8	133.8	2.9	104
1030	R	31.9	Very low	27.6	Very low	200 Å²	200	137.1 Å²	137.1	76%	0.755	74%	0.744	S	S	*	*			cis	-163.7	178	8.2	-123.4	-179.5	-179.6	139.7	-3.2	103.8
1031	S	28.9	Very low	27.4	Very low	74 Å²	74	139.3 Å²	139.3	52%	0.517	75%	0.748	S	S	.	*			cis	-171.5	150.7	-3	30.7	0	0	0	0	107.1
1032	H	28.5	Very low	27.2	Very low	137 Å²	137	142.3 Å²	142.3	63%	0.634	76%	0.756	S	S	*	*			cis	-153.9	141.9	-4.5	-118.9	-64.3	0	0	0	108.4
1033	S	23.6	Very low	27.1	Very low	103 Å²	103	140.6 Å²	140.6	72%	0.72	76%	0.758	S	S	*	*			trans	-111.8	155.9	150.4	171.3	0	0	0	0	107.3
1034	V	24.6	Very low	27	Very low	116 Å²	116	144.9 Å²	144.9	70%	0.703	77%	0.765	S	S	*	*			trans	-141.3	128.1	154.7	-178.8	0	0	0	0	108.8	C1036	V1034-C1036 VanDerWaalsContact CG1-SG 3.58Å
1035	R	21.7	Very low	26.7	Very low	231 Å²	231	144.5 Å²	144.5	87%	0.872	76%	0.763	S	S	*	*			trans	-126.6	127.2	164.9	177.7	-169.8	-171	-178.2	5.6	105.7
1036	C	22.7	Very low	26.7	Very low	110 Å²	110	142.4 Å²	142.4	74%	0.743	76%	0.758	S	S	*	*			trans	-130.1	130.3	176	-70	0	0	0	0	110.6	V1034	V1034-C1036 VanDerWaalsContact CG1-SG 3.58Å
1037	N	24.6	Very low	26.8	Very low	147 Å²	147	144.4 Å²	144.4	79%	0.786	76%	0.76	S	S	*	*			trans	-93.1	148.5	155.1	-78.6	-10.2	0	0	0	108.2
1038	L	27.6	Very low	26.1	Very low	180 Å²	180	144.2 Å²	144.2	94%	0.942	76%	0.756	S	S	*	*			trans	-152.2	163	140.9	-141	83	0	0	0	108.8
1039	A	25.4	Very low	26.1	Very low	84 Å²	84	145.1 Å²	145.1	69%	0.694	76%	0.757	S	S	*	*			trans	-124.8	167.4	-176.2	0	0	0	0	0	112.3
1040	S	25.9	Very low	25.9	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	75%	0.753	S	S	*	*			trans	79.4	111.8	171.9	74.7	0	0	0	0	119.1
1041	N	23.1	Very low	25.6	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	75%	0.75	S	S	*	*			trans	78.6	125.1	136.6	-60.5	-8.5	0	0	0	122.7
1042	N	23.6	Very low	25.3	Very low	159 Å²	159	145.1 Å²	145.1	85%	0.85	77%	0.766	S	S	*	*			trans	71.3	71	143.6	-63.5	-15.5	0	0	0	120.1
1043	S	28.6	Very low	25.1	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	77%	0.767	S	S	*	*			trans	-132.2	122	130.6	59.7	0	0	0	0	110.3
1044	R	25.1	Very low	25	Very low	235 Å²	235	145.7 Å²	145.7	89%	0.887	77%	0.769	S	S	*	*			trans	-79.1	172.6	169	-86.7	177.5	161.5	161.9	-6.9	110.3
1045	E	26.1	Very low	25	Very low	172 Å²	172	147.4 Å²	147.4	80%	0.804	77%	0.772	S	S	*	*			trans	72.9	123.3	172	-63.3	175.2	-153.1	0	0	114.4
1046	N	27.7	Very low	25.2	Very low	139 Å²	139	141 Å²	141	74%	0.743	76%	0.759	S	S	*	*			cis	-130.9	123.7	2.7	-82.7	-57.9	0	0	0	112.3
1047	I	27.6	Very low	25.3	Very low	148 Å²	148	143.3 Å²	143.3	76%	0.759	76%	0.764	S	S	*	*			trans	-88.3	125.7	158.7	-68	177.1	0	0	0	107.1	N1049	I1047-N1049 VanDerWaalsContact C-N 3.32Å; I1047-N1049 WeakPolarHBondContact CG2-OD1 3.35Å; I1047-N1049 PolarHBondContact O-N 3.4Å
1048	V	26	Very low	25.4	Very low	122 Å²	122	144 Å²	144	74%	0.739	76%	0.762	S	S	*	*			trans	-80.4	83.4	170.8	-178	0	0	0	0	108.7	H1050	V1048-H1050 PolarHBondContact O-N 3.11Å
1049	N	27.7	Very low	25.4	Very low	116 Å²	116	145.2 Å²	145.2	62%	0.62	75%	0.754	S	S	*	*			trans	-72.4	119.6	164	-88.6	11.5	0	0	0	108.8	I1047 E1051	I1047-N1049 VanDerWaalsContact C-N 3.32Å; I1047-N1049 WeakPolarHBondContact CG2-OD1 3.35Å; I1047-N1049 PolarHBondContact O-N 3.4Å; N1049-E1051 PolarHBondContact O-N 3.18Å; N1049-E1051 VanDerWaalsContact O-N 3.09Å
1050	H	23.7	Very low	25.6	Very low	145 Å²	145	145 Å²	145	67%	0.671	75%	0.747	S	S	*	*			trans	-79.9	75.5	161.8	-92	-71.8	0	0	0	109.5	V1048	V1048-H1050 PolarHBondContact O-N 3.11Å
1051	E	24.6	Very low	25.7	Very low	146 Å²	146	144.7 Å²	144.7	68%	0.682	73%	0.734	S	S	*	*			trans	-110.2	98.8	158.6	-75.7	-173.8	121.9	0	0	108.3	N1049 T1053	N1049-E1051 PolarHBondContact O-N 3.18Å; N1049-E1051 VanDerWaalsContact O-N 3.09Å; E1051-T1053 PolarHBondContact O-N 3.47Å
1052	E	22.2	Very low	26.1	Very low	183 Å²	183	141.7 Å²	141.7	86%	0.855	73%	0.725	S	S	*	*			trans	-78.7	60.3	173.6	-69.4	-169.7	128.1	0	0	110.9	L1054	E1052-L1054 PolarHBondContact O-N 2.71Å; E1052-L1054 VanDerWaalsContact O-N 3.11Å
1053	T	23.9	Very low	26.3	Very low	108 Å²	108	140.4 Å²	140.4	66%	0.663	71%	0.714	S	S	*	*			trans	-78.6	94.4	173.7	-59.8	0	0	0	0	111.6	E1051 I1055	E1051-T1053 PolarHBondContact O-N 3.47Å; T1053-I1055 PolarHBondContact O-N 3.13Å; T1053-I1055 VanDerWaalsContact O-N 3.16Å
1054	L	23	Very low	26.3	Very low	144 Å²	144	138.4 Å²	138.4	75%	0.754	71%	0.712	S	S	*	*			trans	19.4	82.2	139.4	-76.9	160.9	0	0	0	117.8	E1052 V1056	E1052-L1054 PolarHBondContact O-N 2.71Å; E1052-L1054 VanDerWaalsContact O-N 3.11Å; L1054-V1056 HydrophobicContact CB-CG2 4.21Å; L1054-V1056 HydrophobicContact CD2-CG2 3.94Å
1055	I	25	Very low	26.4	Very low	152 Å²	152	138.1 Å²	138.1	78%	0.779	71%	0.711	S	S	*	*			trans	-127.7	97.4	145.7	-57.2	179.4	0	0	0	105.3	T1053	T1053-I1055 PolarHBondContact O-N 3.13Å; T1053-I1055 VanDerWaalsContact O-N 3.16Å
1056	V	24.5	Very low	26.9	Very low	97 Å²	97	135.7 Å²	135.7	59%	0.588	71%	0.711	S	S	*	*				57.3	62	51.7	-162.4	0	0	0	0	112.3	L1054	L1054-V1056 HydrophobicContact CB-CG2 4.21Å; L1054-V1056 HydrophobicContact CD2-CG2 3.94Å
1057	N	25.9	Very low	26.7	Very low	158 Å²	158	134.3 Å²	134.3	85%	0.845	71%	0.711	S	S	*	*			trans	-109.6	101.9	142.8	-96.9	-32.7	0	0	0	109.3
1058	H	26.6	Very low	26.7	Very low	162 Å²	162	133.4 Å²	133.4	75%	0.75	71%	0.713	S	S	*	*			trans	-61	154.6	146.6	-76	-62	0	0	0	108.1
1059	R	27.7	Very low	26.6	Very low	205 Å²	205	134.8 Å²	134.8	77%	0.774	72%	0.715	S	S	*	*			cis	-148.5	167.7	20.5	-129	156.1	170.1	166.8	-3.5	106.8
1060	S	29	Very low	26.8	Very low	80 Å²	80	135 Å²	135	56%	0.559	72%	0.723	S	S	*	*			cis	-144.5	137.3	21.5	46.5	0	0	0	0	110
1061	Q	28.5	Very low	26.8	Very low	100 Å²	100	135.8 Å²	135.8	47%	0.467	73%	0.731	S	S	.	*				53	124.3	98.7	-55.8	178	-121.3	0	0	112.6	F1208	Q1061-F1208 HydrophobicContact CB-CE1 4.22Å; Q1061-F1208 WeakPolarHBondContact O-CE1 3.48Å; Q1061-F1208 WeakPolarHBondContact O-CZ 3.39Å
1062	S	30.3	Very low	26.9	Very low	84 Å²	84	134.4 Å²	134.4	59%	0.587	74%	0.737	S	S	*	*				-113.3	174.2	66.1	54.8	0	0	0	0	118	E1209	S1062-E1209 WeakPolarHBondContact CA-OE1 3.21Å; S1062-E1209 VanDerWaalsContact CB-OE1 3.25Å; S1062-E1209 WeakPolarHBondContact CB-OE1 3.39Å
1063	Q	27.9	Very low	27.6	Very low	132 Å²	132	131 Å²	131	62%	0.617	73%	0.731	S	S	*	*			trans	-123.3	155.1	174	-69	-167.3	1.6	0	0	112.9
1064	G	29.1	Very low	27.7	Very low	79 Å²	79	132.3 Å²	132.3	81%	0.814	74%	0.739	S	S	*	*			trans	-137.1	129.6	155	0	0	0	0	0	108.3
1065	R	26.5	Very low	28.2	Very low	228 Å²	228	131.2 Å²	131.2	86%	0.86	74%	0.74	S	S	*	*			trans	-115.9	145.8	-168.5	-137.9	-179.5	175.5	-158.2	-2.9	111.5
1066	P	37.1	Very low	28.2	Very low	122 Å²	122	128.7 Å²	128.7	79%	0.792	74%	0.736	S	S	*	*			trans	-103.5	166.3	-174.9	39.3	-35.6	0	0	0	114.4
1067	S	24	Very low	28.2	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	75%	0.746	S	S	*	*			trans	-158.9	124.2	169.8	54.8	0	0	0	0	116
1068	V	27	Very low	28.3	Very low	130 Å²	130	127.9 Å²	127.9	79%	0.788	74%	0.742	S	S	*	*			trans	70.2	104.2	134.7	-176.9	0	0	0	0	120.8
1069	L	23.5	Very low	28.2	Very low	150 Å²	150	126.5 Å²	126.5	79%	0.785	75%	0.745	S	S	*	*				29.1	162.1	111.5	-64.7	175.3	0	0	0	121.8
1070	P	33	Very low	28.2	Very low	122 Å²	122	124.8 Å²	124.8	79%	0.792	75%	0.75	S	S	*	*			cis	-135.2	-142.1	-12.8	37.2	-13.8	0	0	0	114.4
1071	L	23.3	Very low	28	Very low	161 Å²	161	129 Å²	129	84%	0.843	76%	0.761	S	S	*	*			trans	-87	173.5	-166.1	-68.4	157.2	0	0	0	117.1
1072	S	25.8	Very low	28	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	78%	0.784	S	S	*	*			trans	102.6	149.9	152.2	-68.8	0	0	0	0	119.3
1073	P	37.5	Very low	27.9	Very low	111 Å²	111	135.1 Å²	135.1	72%	0.721	80%	0.795	S	S	*	*			trans	-140.4	167.6	-134.7	44.2	-27.1	0	0	0	119.2
1074	V	26.5	Very low	27.9	Very low	136 Å²	136	131.7 Å²	131.7	82%	0.824	80%	0.795	S	S	*	*			trans	68.6	153.6	154.1	166	0	0	0	0	116.2
1075	P	33.6	Very low	28	Very low	121 Å²	121	134.2 Å²	134.2	79%	0.786	80%	0.795	S	S	*	*			cis	-115.2	-160.9	-3.8	38.3	-21.6	0	0	0	113.8
1076	S	25.6	Very low	28.3	Very low	100 Å²	100	128 Å²	128	70%	0.699	78%	0.784	S	S	*	*			trans	-84.2	171	176	51.8	0	0	0	0	115.5
1077	T	24.6	Very low	27.9	Very low	128 Å²	128	128.6 Å²	128.6	79%	0.785	79%	0.786	S	S	*	*			trans	97.7	163.5	164	81.2	0	0	0	0	118.6
1078	S	26.1	Very low	28.4	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	78%	0.783	S	S	*	*			trans	61.2	98.8	-176.3	47.9	0	0	0	0	118.4
1079	T	24.5	Very low	28.5	Very low	132 Å²	132	126.1 Å²	126.1	81%	0.81	78%	0.779	S	S	*	*			trans	-18.4	131.2	130.1	-44.7	0	0	0	0	115.1
1080	L	28.1	Very low	28.7	Very low	169 Å²	169	126 Å²	126	89%	0.885	78%	0.779	S	S	*	*			trans	-163.6	139.8	135.3	-112.2	167.3	0	0	0	110.8
1081	E	25.7	Very low	28.5	Very low	169 Å²	169	126.6 Å²	126.6	79%	0.79	78%	0.781	S	S	*	*			trans	-80.1	152.1	172.5	-58.8	179.4	131	0	0	110.3
1082	L	27.2	Very low	28.7	Very low	178 Å²	178	127.9 Å²	127.9	93%	0.932	78%	0.782	S	S	*	*			trans	-143.2	95.6	169.7	-110.7	167.2	0	0	0	109.9
1083	T	28.8	Very low	28.9	Very low	135 Å²	135	129.8 Å²	129.8	83%	0.828	79%	0.789	S	S	*	*			trans	-99.7	136.3	172.7	46.1	0	0	0	0	110
1084	G	29	Very low	28.4	Very low	60 Å²	60	127.5 Å²	127.5	62%	0.619	79%	0.786	S	S	*	*			trans	139.1	47.9	-173	0	0	0	0	0	112.3
1085	T	29.6	Very low	28.5	Very low	131 Å²	131	129.5 Å²	129.5	80%	0.804	79%	0.79	S	S	*	*				70.5	154.9	88.9	67.2	0	0	0	0	114.5
1086	P	33.9	Very low	28	Very low	99 Å²	99	127 Å²	127	64%	0.643	79%	0.787	S	S	*	*				-137.9	-162.5	-58.6	40.1	-23.4	0	0	0	112.6
1087	T	29.1	Very low	28	Very low	134 Å²	134	132.7 Å²	132.7	82%	0.822	79%	0.793	S	S	*	*			trans	70.4	145.6	155.9	44.6	0	0	0	0	119.5
1088	A	33.2	Very low	28	Very low	85 Å²	85	135.5 Å²	135.5	70%	0.702	79%	0.794	S	S	*	*			cis	-156.3	174.6	-3.1	0	0	0	0	0	113.9
1089	S	30.2	Very low	27.9	Very low	101 Å²	101	135.9 Å²	135.9	71%	0.706	79%	0.792	S	S	*	*			trans	-33.8	146.3	166.3	39.1	0	0	0	0	117.6
1090	N	27.2	Very low	27.8	Very low	148 Å²	148	135.2 Å²	135.2	79%	0.791	79%	0.788	S	S	*	*				53.4	138.6	80.1	-65.3	-9.7	0	0	0	113.7
1091	T	29.1	Very low	27.6	Very low	135 Å²	135	133 Å²	133	83%	0.828	78%	0.781	S	S	*	*			cis	-155.1	-175.8	16.4	-13.3	0	0	0	0	112.4
1092	E	27.6	Very low	27.6	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.874	78%	0.78	S	S	*	*			trans	-77.4	134.5	-167.6	-56.8	179.3	113.2	0	0	118.1
1093	V	30	Very low	27.5	Very low	156 Å²	156	133.3 Å²	133.3	95%	0.945	77%	0.767	S	S	*	*			trans	-156	147	152.9	-174.4	0	0	0	0	107.5
1094	G	26.9	Very low	27.3	Very low	64 Å²	64	132.1 Å²	132.1	66%	0.66	76%	0.76	S	S	*	*			cis	170.3	162.8	-9.5	0	0	0	0	0	113.3
1095	I	27.8	Very low	27.3	Very low	178 Å²	178	135.4 Å²	135.4	91%	0.913	76%	0.763	S	S	*	*			trans	31	107.7	159.6	-50.6	177.3	0	0	0	120.1
1096	G	24.3	Very low	27.4	Very low	69 Å²	69	136 Å²	136	71%	0.711	76%	0.762	S	S	*	*				94	90.3	113.4	0	0	0	0	0	123.2
1097	R	24	Very low	27.3	Very low	219 Å²	219	141 Å²	141	83%	0.826	77%	0.773	S	S	*	*				66.7	112.3	127.8	-164.3	-171.7	-147.2	160.5	4.4	120
1098	F	25.9	Very low	27.6	Very low	186 Å²	186	140 Å²	140	82%	0.816	77%	0.772	S	S	*	*				-172.7	-161.7	117.4	-100.6	-67	0	0	0	111.6
1099	T	23	Very low	27.6	Very low	118 Å²	118	139.4 Å²	139.4	72%	0.724	77%	0.774	S	S	*	*			trans	-127.4	166	-144.9	-43	0	0	0	0	115.2
1100	V	23.4	Very low	27.8	Very low	119 Å²	119	140.6 Å²	140.6	72%	0.721	78%	0.782	S	S	*	*			trans	111	125.9	150.3	-167.7	0	0	0	0	118.6
1101	T	23.8	Very low	28.1	Very low	122 Å²	122	136.9 Å²	136.9	75%	0.748	78%	0.779	S	S	*	*			trans	44.2	128.1	161.4	55.4	0	0	0	0	122.7
1102	R	25	Very low	29	Very low	201 Å²	201	135.7 Å²	135.7	76%	0.758	77%	0.773	S	S	*	*				108.5	145.6	55	-163.8	-178.1	-169.5	-176.8	5	110.8
1103	F	25.2	Very low	29.3	Very low	152 Å²	152	131.8 Å²	131.8	67%	0.667	76%	0.762	S	S	*	*			trans	75	131	177	-59.4	-56.9	0	0	0	114.8
1104	T	25.4	Very low	29.4	Very low	110 Å²	110	133.2 Å²	133.2	68%	0.675	76%	0.756	S	S	*	*				68.1	137.2	52.4	73.2	0	0	0	0	113.1
1105	D	29.1	Very low	30.4	Very low	130 Å²	130	135.4 Å²	135.4	70%	0.695	76%	0.759	S	S	*	*			cis	-159.9	-177.3	5.1	-132.5	-47.3	0	0	0	113.5
1106	N	31.9	Very low	30.6	Very low	144 Å²	144	132.2 Å²	132.2	77%	0.77	75%	0.752	S	S	*	*			trans	-33.6	153	170.6	-69.6	-76.8	0	0	0	119.2
1107	K	31.6	Very low	30.8	Very low	202 Å²	202	137.3 Å²	137.3	88%	0.878	76%	0.758	S	S	*	*			trans	-151.4	153.3	148.5	-90.3	-168.1	-179.6	177.8	0	109.7
1108	S	35.5	Very low	31	Very low	114 Å²	114	131.6 Å²	131.6	80%	0.797	75%	0.751	S	S	*	*			cis	177.4	158.6	-22.6	49.1	0	0	0	0	106.7
1109	G	32.4	Very low	31	Very low	72 Å²	72	131.9 Å²	131.9	74%	0.742	75%	0.752	S	S	*	*			cis	-157.6	-140.9	0.7	0	0	0	0	0	107.5
1110	S	35.1	Very low	31.1	Very low	127 Å²	127	131.8 Å²	131.8	89%	0.888	75%	0.751	S	S	*	*			cis	-172.7	140.9	-9	42.3	0	0	0	0	107.1
1111	G	33	Very low	31	Very low	69 Å²	69	132.8 Å²	132.8	71%	0.711	75%	0.753	S	S	*	*				149.4	159.7	94.6	0	0	0	0	0	112.5
1112	P	48	Very low	31.3	Very low	110 Å²	110	136 Å²	136	71%	0.714	76%	0.757	S	S	*	*			trans	-146.8	162.8	-131.7	42.8	-24.1	0	0	0	120
1113	T	33.1	Very low	31.4	Very low	105 Å²	105	133.1 Å²	133.1	64%	0.644	76%	0.755	S	S	*	*			trans	58.7	151.3	141.7	54.2	0	0	0	0	121.1
1114	F	32.2	Very low	31.5	Very low	187 Å²	187	133.5 Å²	133.5	82%	0.82	76%	0.764	S	S	*	*				-164.5	-177.1	54.8	-104.6	-48.2	0	0	0	112.9
1115	P	48.3	Very low	31.5	Very low	109 Å²	109	132.4 Å²	132.4	71%	0.708	76%	0.76	S	S	*	*			trans	-140.1	-161.5	-133.2	48.2	-28.7	0	0	0	119.3
1116	S	32.9	Very low	31.5	Very low	112 Å²	112	132 Å²	132	78%	0.783	76%	0.762	S	S	*	*			trans	96.2	145.9	167.2	80.3	0	0	0	0	116.9
1117	E	28.4	Very low	31.2	Very low	176 Å²	176	130.5 Å²	130.5	82%	0.822	76%	0.763	S	S	*	*			cis	-153.1	153.1	5.2	-153.4	-179.9	-123.6	0	0	114.8
1118	S	27.1	Very low	31.4	Very low	99 Å²	99	125.7 Å²	125.7	69%	0.692	75%	0.753	S	S	*	*			trans	87.7	125.4	151.2	83.5	0	0	0	0	124.8
1119	K	25.8	Very low	31	Very low	191 Å²	191	131.4 Å²	131.4	83%	0.83	76%	0.759	S	S	*	*			trans	75.9	140.6	136.1	-77.3	-179.1	178.5	175.9	0	126.7
1120	T	25.1	Very low	30.7	Very low	116 Å²	116	133.7 Å²	133.7	71%	0.712	76%	0.759	S	S	*	*			trans	74.4	108.5	148.4	43.6	0	0	0	0	123.7
1121	D	23.1	Very low	30.3	Very low	141 Å²	141	134.8 Å²	134.8	75%	0.754	75%	0.754	S	S	*	*				65.9	153	127.6	-62.4	-32.5	0	0	0	124.6
1122	K	29.9	Very low	30	Very low	190 Å²	190	140.3 Å²	140.3	83%	0.826	76%	0.759	S	S	*	*			trans	75.9	150.7	167	-56.3	-171	-176.1	175.5	0	116.5
1123	L	25.7	Very low	29.1	Very low	140 Å²	140	142.6 Å²	142.6	73%	0.733	76%	0.764	S	S	*	*			cis	179	138.7	-36.1	-118.8	165.8	0	0	0	105.2
1124	L	27.7	Very low	28.8	Very low	160 Å²	160	146.4 Å²	146.4	84%	0.838	77%	0.772	S	S	*	*			trans	63.8	155.4	170.9	-57	153.9	0	0	0	115.2
1125	S	25.7	Very low	28.6	Very low	87 Å²	87	143.4 Å²	143.4	61%	0.608	77%	0.769	S	S	*	*			cis	-157.8	164.5	-30.3	58.8	0	0	0	0	108.8
1126	T	29.4	Very low	27.6	Very low	120 Å²	120	149.2 Å²	149.2	74%	0.736	78%	0.778	S	S	*	*			trans	50.5	104.3	157.1	50.2	0	0	0	0	117.9
1127	S	26	Very low	27.4	Very low	113 Å²	113	152.3 Å²	152.3	79%	0.79	78%	0.78	S	S	*	*				67.6	145.7	71.4	-167.2	0	0	0	0	113.5
1128	P	35.6	Very low	27.3	Very low	102 Å²	102	151.4 Å²	151.4	66%	0.662	78%	0.78	S	S	*	*			cis	-126	170.6	7.5	39.1	-24.3	0	0	0	115.3
1129	Y	26.9	Very low	27.4	Very low	233 Å²	233	158 Å²	158	91%	0.914	79%	0.79	S	S	*	*			trans	-138.2	118.6	154.1	-116.2	-84.2	0	0	0	111.8
1130	T	25.8	Very low	27.5	Very low	121 Å²	121	157.1 Å²	157.1	74%	0.742	79%	0.788	S	S	*	*			trans	-88.6	121.7	174.2	49.9	0	0	0	0	110.7
1131	N	26.1	Very low	27.3	Very low	150 Å²	150	161.4 Å²	161.4	80%	0.802	80%	0.797	S	S	*	*			trans	-172.3	111.8	149.4	-108.6	-37.4	0	0	0	113.4
1132	K	27.5	Very low	27.3	Very low	184 Å²	184	159.5 Å²	159.5	80%	0.8	80%	0.795	S	S	*	*				173.6	144.9	114.2	-96	168.7	-177.9	176.6	0	114.8
1133	L	28.6	Very low	27.2	Very low	158 Å²	158	161.7 Å²	161.7	83%	0.827	80%	0.798	S	S	*	*			trans	65.8	118.9	143	-67.3	168.3	0	0	0	122.1
1134	K	26.4	Very low	27.2	Very low	185 Å²	185	159.7 Å²	159.7	80%	0.804	80%	0.796	S	S	*	*			trans	-65.5	158.5	142.1	-41.8	171	179.2	173.8	0	108.6
1135	T	29.1	Very low	27.2	Very low	124 Å²	124	159 Å²	159	76%	0.761	79%	0.793	S	S	*	*			cis	-154.3	147.6	4.3	-17.9	0	0	0	0	108.4
1136	Y	26.3	Very low	27.3	Very low	231 Å²	231	164.7 Å²	164.7	91%	0.906	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-76.3	147.2	160.8	-118.1	-93.4	0	0	0	110.3
1137	H	28.9	Very low	27.2	Very low	178 Å²	178	163.6 Å²	163.6	82%	0.824	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87.4	155.9	-179.6	-113.9	-96.6	0	0	0	112.7
1138	L	26.6	Very low	27.4	Very low	157 Å²	157	166.6 Å²	166.6	82%	0.822	81%	0.805	S	S	*	*	S	Bend	trans	-70.5	153	165.9	-88.6	164.9	0	0	0	112.1
1139	R	28.5	Very low	27.1	Very low	238 Å²	238	169.8 Å²	169.8	90%	0.898	81%	0.811	S	S	*	*			trans	77.6	127.5	168.7	-60.1	-179.4	176.6	-175.4	-3.5	117.9
1140	H	27.6	Very low	27.2	Very low	171 Å²	171	164.1 Å²	164.1	79%	0.792	81%	0.805	S	S	*	*			trans	-59.1	144.6	153.3	-70.8	-114	0	0	0	110.5
1141	F	22.9	Very low	27.5	Very low	206 Å²	206	162.3 Å²	162.3	90%	0.904	80%	0.802	S	S	*	*				177.9	118	98.2	-107.2	-76.9	0	0	0	111.8
1142	S	22.6	Very low	27.7	Very low	101 Å²	101	166 Å²	166	71%	0.706	81%	0.805	S	S	*	*			trans	-164.3	129.1	161.5	-179.1	0	0	0	0	111
1143	R	27.9	Very low	27.7	Very low	236 Å²	236	163.8 Å²	163.8	89%	0.891	80%	0.802	S	S	*	*			trans	55.7	96.5	158.6	-66.9	175.8	178.7	-175.1	-1.7	118.7
1144	S	25.9	Very low	27.7	Very low	99 Å²	99	166.6 Å²	166.6	69%	0.692	80%	0.801	S	S	*	*			trans	-73.6	160.2	138.9	51.9	0	0	0	0	111.7
1145	N	27.5	Very low	27.6	Very low	144 Å²	144	162 Å²	162	77%	0.77	79%	0.793	S	S	*	*			trans	64.6	101.4	152.2	-57.5	0.1	0	0	0	120.6
1146	F	26.8	Very low	27.4	Very low	208 Å²	208	163.1 Å²	163.1	91%	0.912	79%	0.794	S	S	*	*				-97.9	147.3	111.8	-100.7	-116.1	0	0	0	107.2
1147	C	27.8	Very low	27.4	Very low	96 Å²	96	157.8 Å²	157.8	65%	0.649	79%	0.79	S	S	*	*	S	Bend	cis	-164.1	123.7	-16	-171	0	0	0	0	110.4
1148	Q	29.4	Very low	27.2	Very low	176 Å²	176	155 Å²	155	82%	0.822	79%	0.79	S	S	*	*			trans	175.3	142.5	132	-96.5	172.7	0.5	0	0	110.9
1149	H	30.3	Very low	27.2	Very low	170 Å²	170	156.1 Å²	156.1	79%	0.787	79%	0.79	S	S	*	*			trans	25.7	114.6	169.6	-63.6	-16.1	0	0	0	120.5
1150	S	29.1	Very low	27.9	Very low	114 Å²	114	149.3 Å²	149.3	80%	0.797	78%	0.777	S	S	*	*				84.1	130.7	71.1	-69	0	0	0	0	113.7
1151	A	31.5	Very low	28	Very low	82 Å²	82	146 Å²	146	68%	0.678	77%	0.765	S	S	*	*			cis	-164.1	148	-8.9	0	0	0	0	0	113.5
1152	R	30.4	Very low	28.5	Very low	228 Å²	228	141.9 Å²	141.9	86%	0.86	76%	0.756	S	S	*	*			trans	58.9	123.8	144.8	-70.4	173.7	-179.6	173.9	0.5	121.6
1153	N	28.2	Very low	28.9	Very low	137 Å²	137	143.3 Å²	143.3	73%	0.733	75%	0.747	S	S	*	*				35.9	140.9	106.5	-64	-10.8	0	0	0	118.7
1154	R	27.9	Very low	29	Very low	217 Å²	217	139 Å²	139	82%	0.819	73%	0.731	S	S	*	*			cis	-172.7	154.5	24.7	-134.9	175.7	-162.4	177.8	1.9	112
1155	S	24.8	Very low	29.1	Very low	89 Å²	89	144.2 Å²	144.2	62%	0.622	74%	0.735	S	S	*	*			trans	50.3	136.5	144.6	61.4	0	0	0	0	123.4
1156	N	24.9	Very low	29.2	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	74%	0.737	S	S	*	*			trans	78.7	140.8	151.5	-63.6	2.7	0	0	0	120.5
1157	S	25.9	Very low	29.2	Very low	118 Å²	118	140.9 Å²	140.9	83%	0.825	73%	0.732	S	S	*	*			trans	56.6	125.1	153.8	48.2	0	0	0	0	120
1158	C	24.7	Very low	29.6	Very low	121 Å²	121	144.6 Å²	144.6	82%	0.818	75%	0.745	S	S	*	*			trans	-76.7	132.4	174.8	-51.1	0	0	0	0	113.1
1159	H	27.6	Very low	29.4	Very low	180 Å²	180	142.3 Å²	142.3	83%	0.833	74%	0.743	S	S	*	*			trans	58.7	176.8	145.3	-95.8	-88.3	0	0	0	118.9
1160	P	43.2	Very low	29.4	Very low	95 Å²	95	140.4 Å²	140.4	62%	0.617	74%	0.744	S	S	*	*			cis	-114.6	-125.3	-14.4	33.9	-14.3	0	0	0	112.6	V1162	P1160-V1162 HydrophobicContact CB-CG2 4.29Å
1161	D	29.4	Very low	29.3	Very low	101 Å²	101	141 Å²	141	54%	0.54	74%	0.742	S	S	.	*			cis	-167.9	118.6	33.9	-173	44.4	0	0	0	112.4	Y1163	D1161-Y1163 VanDerWaalsContact C-CD2 3.44Å; D1161-Y1163 HydrophobicContact CB-CE2 4.22Å; D1161-Y1163 VanDerWaalsContact CG-CE2 3.41Å; D1161-Y1163 WeakPolarHBondContact O-CD2 3.26Å; D1161-Y1163 WeakPolarHBondContact O-CE2 3.35Å; D1161-Y1163 VanDerWaalsContact OD1-CZ 3.29Å; D1161-Y1163 PolarHBondContact OD1-OH 3.18Å; D1161-Y1163 VanDerWaalsContact OD1-OH 3.06Å; D1161-Y1163 WeakPolarHBondContact OD2-CE2 3.47Å; D1161-Y1163 PolarHBondContact OD2-OH 2.87Å
1162	V	32.3	Very low	29.1	Very low	119 Å²	119	144.2 Å²	144.2	72%	0.721	75%	0.748	S	S	*	*			cis	-123.5	-66.3	-38.7	176.5	0	0	0	0	111.7	P1160	P1160-V1162 HydrophobicContact CB-CG2 4.29Å
1163	Y	31.9	Very low	28.9	Very low	132 Å²	132	140.6 Å²	140.6	52%	0.518	74%	0.744	S	S	.	*			cis	-164.1	163.4	-6.3	-108.8	-27	0	0	0	111.2	D1161	D1161-Y1163 VanDerWaalsContact C-CD2 3.44Å; D1161-Y1163 HydrophobicContact CB-CE2 4.22Å; D1161-Y1163 VanDerWaalsContact CG-CE2 3.41Å; D1161-Y1163 WeakPolarHBondContact O-CD2 3.26Å; D1161-Y1163 WeakPolarHBondContact O-CE2 3.35Å; D1161-Y1163 VanDerWaalsContact OD1-CZ 3.29Å; D1161-Y1163 PolarHBondContact OD1-OH 3.18Å; D1161-Y1163 VanDerWaalsContact OD1-OH 3.06Å; D1161-Y1163 WeakPolarHBondContact OD2-CE2 3.47Å; D1161-Y1163 PolarHBondContact OD2-OH 2.87Å
1164	R	28.9	Very low	28.8	Very low	146 Å²	146	138.7 Å²	138.7	55%	0.551	74%	0.742	S	S	*	*			cis	-160.7	133.8	-8.1	-173.3	174.8	-98.6	-169.6	-5.4	113
1165	R	28.2	Very low	29	Very low	207 Å²	207	138.4 Å²	138.4	78%	0.781	75%	0.747	S	S	*	*			trans	65.6	164.2	159.5	-74.9	171.3	-172.3	168.6	-0.3	116.4
1166	T	31.1	Very low	29.4	Very low	132 Å²	132	138.9 Å²	138.9	81%	0.81	75%	0.748	S	S	*	*			cis	-139.6	176	27.6	38.1	0	0	0	0	114.7
1167	N	26.6	Very low	29.4	Very low	150 Å²	150	142 Å²	142	80%	0.802	75%	0.748	S	S	*	*			trans	-85.9	161.5	171.3	-46.1	-39.6	0	0	0	111.7
1168	L	36.3	Very low	29.6	Very low	175 Å²	175	145.7 Å²	145.7	92%	0.916	75%	0.745	S	S	*	*			trans	-166.6	160.9	132.7	-108.6	165.5	0	0	0	110.8
1169	T	24.8	Very low	29.6	Very low	128 Å²	128	145.5 Å²	145.5	79%	0.785	75%	0.746	S	S	*	*			trans	-146.3	125.5	-168.9	-20.1	0	0	0	0	114.9
1170	T	29.1	Very low	29.7	Very low	130 Å²	130	141.7 Å²	141.7	80%	0.798	74%	0.738	S	S	*	*			trans	-151.1	145.8	154	44.8	0	0	0	0	105.8
1171	T	28.1	Very low	29	Very low	125 Å²	125	144.8 Å²	144.8	77%	0.767	75%	0.748	S	S	*	*			cis	-155.9	172.3	-7.9	9.8	0	0	0	0	107.6
1172	L	26.8	Very low	28.7	Very low	151 Å²	151	145 Å²	145	79%	0.791	76%	0.757	S	S	*	*			cis	-142.2	-71.5	10	-141.7	176.1	0	0	0	112.6
1173	L	25.5	Very low	28.6	Very low	152 Å²	152	148.7 Å²	148.7	80%	0.796	76%	0.763	S	S	*	*			trans	-126.2	156.7	-174.6	-71.3	155.5	0	0	0	110
1174	S	26.1	Very low	28.3	Very low	97 Å²	97	149.7 Å²	149.7	68%	0.678	78%	0.777	S	S	*	*			cis	-171.2	141.4	-23.1	53.1	0	0	0	0	110.3
1175	K	32.6	Very low	28.1	Very low	211 Å²	211	149.7 Å²	149.7	92%	0.917	79%	0.787	S	S	*	*			trans	-135.2	133.4	157.4	-82.5	-170.5	178.4	-178.5	0	109.9
1176	P	32.8	Very low	28	Very low	99 Å²	99	147.9 Å²	147.9	64%	0.643	79%	0.787	S	S	*	*			trans	-128.2	126.9	142.4	21.4	-2.6	0	0	0	110.6
1177	R	26.3	Very low	27.9	Very low	212 Å²	212	148.1 Å²	148.1	80%	0.8	79%	0.789	S	S	*	*				78.9	149.9	97	-69	172.5	-175	171.8	2.1	112.2
1178	Y	29	Very low	27.9	Very low	196 Å²	196	148 Å²	148	77%	0.769	79%	0.794	S	S	*	*			cis	-132.5	148.9	27.2	-76.2	-103.6	0	0	0	115
1179	S	25.5	Very low	27.4	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	79%	0.787	S	S	*	*			trans	-126	153.3	133.8	64.2	0	0	0	0	108.6
1180	C	30.1	Very low	27.6	Very low	99 Å²	99	146.4 Å²	146.4	67%	0.669	79%	0.79	S	S	*	*			trans	-135.5	145.9	174.6	-76.1	0	0	0	0	107
1181	I	27.6	Very low	27.6	Very low	161 Å²	161	147.6 Å²	147.6	83%	0.826	79%	0.79	S	S	*	*			cis	-145.1	160.5	3.9	-117.5	157.4	0	0	0	108.6
1182	S	24	Very low	27.5	Very low	104 Å²	104	148.3 Å²	148.3	73%	0.727	79%	0.79	S	S	*	*			trans	-120.3	156.9	174.5	66.1	0	0	0	0	112.3
1183	K	29.1	Very low	27.6	Very low	197 Å²	197	147.6 Å²	147.6	86%	0.857	79%	0.787	S	S	*	*			trans	171.9	150.6	153.8	-97.8	168.3	-177	-178.3	0	108.5
1184	L	26.6	Very low	27.8	Very low	154 Å²	154	149 Å²	149	81%	0.806	79%	0.786	S	S	*	*			cis	-144	163.5	-1.1	-167.3	71.2	0	0	0	109.4
1185	L	23.5	Very low	27.9	Very low	145 Å²	145	147.5 Å²	147.5	76%	0.759	79%	0.786	S	S	*	*			trans	-102.1	155.9	171.2	-95.4	168	0	0	0	111.6
1186	Q	26.4	Very low	27.8	Very low	170 Å²	170	146.3 Å²	146.3	79%	0.794	78%	0.781	S	S	*	*			trans	65.4	141.2	164.9	-62.7	163.7	-7.2	0	0	114.7
1187	T	29.3	Very low	27.6	Very low	137 Å²	137	150 Å²	150	84%	0.84	79%	0.787	S	S	*	*			cis	-149.6	166.1	44.3	38.5	0	0	0	0	113.3
1188	T	26.5	Very low	27.7	Very low	147 Å²	147	148 Å²	148	90%	0.902	78%	0.784	S	S	*	*			trans	-105.7	145.9	173.9	42.8	0	0	0	0	113
1189	G	25.8	Very low	27.7	Very low	75 Å²	75	146 Å²	146	77%	0.773	78%	0.78	S	S	*	*			trans	104.1	95.1	147.4	0	0	0	0	0	119.3
1190	K	29	Very low	27.9	Very low	195 Å²	195	147.3 Å²	147.3	85%	0.848	77%	0.768	S	S	*	*			trans	-171.2	120.2	132	-99.6	166	-178	-176.1	0	106.9
1191	L	29.3	Very low	27.8	Very low	154 Å²	154	147 Å²	147	81%	0.806	76%	0.759	S	S	*	*				75	130.9	81.3	-94.5	164.3	0	0	0	113.7
1192	N	25.3	Very low	27.9	Very low	141 Å²	141	147.7 Å²	147.7	75%	0.754	75%	0.753	S	S	*	*			trans	-50	154.8	-171.3	-43	-21.1	0	0	0	114.8
1193	D	28.6	Very low	28.2	Very low	136 Å²	136	148.6 Å²	148.6	73%	0.727	75%	0.75	S	S	*	*				-158.4	165	106	-118.3	-11.4	0	0	0	116
1194	F	30.4	Very low	28	Very low	180 Å²	180	146.4 Å²	146.4	79%	0.789	74%	0.742	S	S	*	*			trans	-2.1	138.6	176.1	-67.9	-84.6	0	0	0	122.5
1195	G	27.4	Very low	28	Very low	66 Å²	66	145.5 Å²	145.5	68%	0.68	73%	0.734	S	S	*	*			trans	-132	178.7	152.2	0	0	0	0	0	111.4
1196	K	31	Very low	28	Very low	187 Å²	187	145.2 Å²	145.2	81%	0.813	73%	0.732	S	S	*	*			trans	-169.4	128.6	163.2	-112.1	159.9	-171.8	168.6	0	110.9
1197	F	28.6	Very low	27.8	Very low	175 Å²	175	141.3 Å²	141.3	77%	0.768	72%	0.724	S	S	*	*				-163	114.6	107.7	-114	-92.8	0	0	0	109.1
1198	K	29.1	Very low	27.6	Very low	170 Å²	170	141.1 Å²	141.1	74%	0.739	71%	0.712	S	S	*	*			trans	35.8	141.1	136.1	-54.2	-175.2	-170.3	178.3	0	119.1
1199	K	28.7	Very low	27.4	Very low	154 Å²	154	138.6 Å²	138.6	67%	0.67	69%	0.69	S	S	*	*			cis	-171.8	156.8	-0.2	-110	-140.2	163.1	-139.9	0	106.4
1200	Y	29.5	Very low	27.4	Very low	146 Å²	146	140 Å²	140	57%	0.573	69%	0.687	S	S	*	*			cis	-164.8	176.7	-4.8	-145.8	-131.4	0	0	0	113.2	Y1202	Y1200-Y1202 HydrophobicContact CE1-CE2 4.16Å
1201	D	27.1	Very low	27.2	Very low	92 Å²	92	136.2 Å²	136.2	49%	0.492	69%	0.685	S	S	.	*			trans	-44.1	165.9	166.7	-39.2	-25.6	0	0	0	116.6
1202	Y	30.8	Very low	27.1	Very low	177 Å²	177	134.7 Å²	134.7	69%	0.694	69%	0.686	S	S	*	*			cis	-157.3	155.3	37.7	-103.8	-66.2	0	0	0	115.9	Y1200	Y1200-Y1202 HydrophobicContact CE1-CE2 4.16Å
1203	N	29.2	Very low	27.2	Very low	123 Å²	123	132.3 Å²	132.3	66%	0.658	68%	0.68	S	S	*	*			trans	60.6	128.6	153.1	-68.6	-5.5	0	0	0	119.4
1204	E	25.8	Very low	27.2	Very low	151 Å²	151	133.1 Å²	133.1	71%	0.706	68%	0.684	S	S	*	*				68.4	134.9	66.4	-67.4	-149.4	121.6	0	0	113.4
1205	Q	26.2	Very low	27	Very low	135 Å²	135	130.1 Å²	130.1	63%	0.631	68%	0.681	S	S	*	*			cis	-159.6	167.7	9.9	-124.8	177	36.8	0	0	112.2
1206	L	24.3	Very low	27	Very low	138 Å²	138	134 Å²	134	72%	0.723	69%	0.686	S	S	*	*			trans	57.9	108.1	147.4	-71.7	171	0	0	0	124.2
1207	S	22.5	Very low	26.8	Very low	89 Å²	89	130 Å²	130	62%	0.622	68%	0.682	S	S	*	*				64.1	116.8	120.7	70.5	0	0	0	0	125.3
1208	F	23.4	Very low	26.8	Very low	132 Å²	132	126 Å²	126	58%	0.579	68%	0.676	S	S	*	*				88.4	129.6	126.3	-93.1	-96.5	0	0	0	124.8	Q1061	Q1061-F1208 HydrophobicContact CB-CE1 4.22Å; Q1061-F1208 WeakPolarHBondContact O-CE1 3.48Å; Q1061-F1208 WeakPolarHBondContact O-CZ 3.39Å
1209	E	22.6	Very low	26.8	Very low	95 Å²	95	125 Å²	125	44%	0.444	67%	0.673	S	S	.	*			trans	61.3	88.6	150.3	-84.9	175.3	-123.1	0	0	123.7	S1062	S1062-E1209 WeakPolarHBondContact CA-OE1 3.21Å; S1062-E1209 VanDerWaalsContact CB-OE1 3.25Å; S1062-E1209 WeakPolarHBondContact CB-OE1 3.39Å
1210	C	26.6	Very low	26.7	Very low	104 Å²	104	126.1 Å²	126.1	70%	0.703	68%	0.678	S	S	*	*				59	113.7	113.4	-173.6	0	0	0	0	121.6
1211	S	24	Very low	26.9	Very low	116 Å²	116	122.7 Å²	122.7	81%	0.811	68%	0.68	S	S	*	*				-166.4	156.2	126.1	40	0	0	0	0	113.7
1212	C	27	Very low	27.2	Very low	122 Å²	122	124 Å²	124	82%	0.824	69%	0.694	S	S	*	*			trans	-97.7	157.2	168.7	-65.2	0	0	0	0	108.7
1213	S	27.9	Very low	27	Very low	91 Å²	91	120.8 Å²	120.8	64%	0.636	69%	0.693	S	S	*	*			cis	-174.8	161	-1	40.6	0	0	0	0	110
1214	N	28.3	Very low	26.8	Very low	153 Å²	153	120.1 Å²	120.1	82%	0.818	69%	0.688	S	S	*	*			trans	70.9	152.4	167.6	-52.8	-17.9	0	0	0	115.2
1215	T	27.1	Very low	26.8	Very low	116 Å²	116	121.3 Å²	121.3	71%	0.712	69%	0.693	S	S	*	*			cis	-130.8	161.9	8.4	49.3	0	0	0	0	113.4
1216	N	26.3	Very low	26.8	Very low	147 Å²	147	122.7 Å²	122.7	79%	0.786	69%	0.693	S	S	*	*			trans	17	143.7	137.1	-49	-7	0	0	0	119.6
1217	S	27.4	Very low	26.8	Very low	104 Å²	104	124.3 Å²	124.3	73%	0.727	70%	0.701	S	S	*	*			cis	-166.7	-165.4	-6.6	50.6	0	0	0	0	107.5
1218	S	29.3	Very low	26.9	Very low	92 Å²	92	122.9 Å²	122.9	64%	0.643	69%	0.691	S	S	*	*			cis	-156.8	150	15.1	-25.7	0	0	0	0	109.1
1219	H	28.8	Very low	27.1	Very low	147 Å²	147	124.5 Å²	124.5	68%	0.681	70%	0.698	S	S	*	*				52.1	140.6	92.2	-61.9	-77.2	0	0	0	117.6
1220	F	26.5	Very low	27.3	Very low	178 Å²	178	125.2 Å²	125.2	78%	0.781	70%	0.702	S	S	*	*			cis	-168	148.2	-15.9	-113.7	-166.7	0	0	0	107.9
1221	A	34.1	Very low	27.3	Very low	75 Å²	75	125.3 Å²	125.3	62%	0.62	70%	0.703	S	S	*	*				58	128.5	85.5	0	0	0	0	0	117.6
1222	P	34.1	Very low	27.5	Very low	120 Å²	120	128.3 Å²	128.3	78%	0.779	70%	0.704	S	S	*	*			trans	-92.1	129	158.1	-1.4	21.8	0	0	0	110.9
1223	V	24.6	Very low	27.7	Very low	109 Å²	109	130 Å²	130	66%	0.661	70%	0.7	S	S	*	*				72.6	89.8	72.4	176.1	0	0	0	0	111.2
1224	I	25.7	Very low	27.8	Very low	108 Å²	108	132 Å²	132	55%	0.554	70%	0.703	S	S	*	*				86	103.4	65.3	-67.1	-81.1	0	0	0	113	Q1230	I1224-Q1230 HydrophobicContact CG2-CG 3.69Å
1225	Q	25.5	Very low	27.7	Very low	177 Å²	177	130.3 Å²	130.3	83%	0.827	70%	0.698	S	S	*	*			trans	-163.8	133.3	143.8	-121.1	170.8	-27.1	0	0	110.1
1226	W	26.6	Very low	27.8	Very low	163 Å²	163	133.9 Å²	133.9	62%	0.617	70%	0.703	S	S	*	*			cis	-148.3	115	-3.9	-150.8	61.9	0	0	0	110.5	S1228 K1229	W1226-S1228 VanDerWaalsContact CD1-CA 3.46Å; W1226-S1228 WeakPolarHBondContact CH2-OG 3.41Å; W1226-S1228 VanDerWaalsContact CZ2-C 3.43Å; W1226-S1228 WeakPolarHBondContact CZ2-OG 3.39Å; W1226-S1228 WeakPolarHBondContact CZ3-OG 3.5Å; W1226-S1228 PolarHBondContact NE1-OG 2.92Å; W1226-K1229 HydrophobicContact CZ2-CB 4.27Å; W1226-K1229 HydrophobicContact CZ2-CD 4.17Å; W1226-K1229 HydrophobicContact CZ2-CG 3.83Å
1227	L	23.6	Very low	27.9	Very low	173 Å²	173	132 Å²	132	91%	0.906	70%	0.702	S	S	*	*	S	Bend		-92.3	135.9	124.2	-140.9	-173.5	0	0	0	104.4	K1229	L1227-K1229 PolarHBondContact O-N 3.41Å
1228	S	26.1	Very low	28	Very low	58 Å²	58	134 Å²	134	41%	0.406	70%	0.704	S	S	.	*	S	Bend	trans	-89.8	118.8	-142.7	-125	0	0	0	0	115.5	W1226	W1226-S1228 VanDerWaalsContact CD1-CA 3.46Å; W1226-S1228 WeakPolarHBondContact CH2-OG 3.41Å; W1226-S1228 VanDerWaalsContact CZ2-C 3.43Å; W1226-S1228 WeakPolarHBondContact CZ2-OG 3.39Å; W1226-S1228 WeakPolarHBondContact CZ3-OG 3.5Å; W1226-S1228 PolarHBondContact NE1-OG 2.92Å
1229	K	27.3	Very low	27.9	Very low	167 Å²	167	136.3 Å²	136.3	73%	0.726	71%	0.705	S	S	*	*			trans	68.2	117.5	178.8	-77.8	176.8	-177.9	-170.8	0	112.7	W1226 L1227	W1226-K1229 HydrophobicContact CZ2-CB 4.27Å; W1226-K1229 HydrophobicContact CZ2-CD 4.17Å; W1226-K1229 HydrophobicContact CZ2-CG 3.83Å; L1227-K1229 PolarHBondContact O-N 3.41Å
1230	Q	26.5	Very low	27.8	Very low	110 Å²	110	136.5 Å²	136.5	51%	0.514	70%	0.703	S	S	.	*			cis	57.1	113.2	34.3	-79	-68.1	0.4	0	0	114	I1224	I1224-Q1230 HydrophobicContact CG2-CG 3.69Å
1231	S	26.3	Very low	27.9	Very low	105 Å²	105	134.5 Å²	134.5	73%	0.734	70%	0.701	S	S	*	*			trans	-87.4	160.9	-177.7	48.4	0	0	0	0	112.5
1232	E	29.1	Very low	27.7	Very low	180 Å²	180	138.3 Å²	138.3	84%	0.841	71%	0.711	S	S	*	*			trans	-96.2	132.5	165.8	-71	177.7	159.3	0	0	111
1233	H	31.8	Very low	27.3	Very low	157 Å²	157	140 Å²	140	73%	0.727	71%	0.713	S	S	*	*			trans	58.6	121	153	-72.6	-107.2	0	0	0	119.8
1234	L	28.8	Very low	27.5	Very low	134 Å²	134	143.8 Å²	143.8	70%	0.702	72%	0.724	S	S	*	*				68.9	115.2	69.7	-74	155.1	0	0	0	112.6
1235	V	27	Very low	27.4	Very low	117 Å²	117	145.1 Å²	145.1	71%	0.709	73%	0.732	S	S	*	*			cis	89.2	107.6	17.5	-169.9	0	0	0	0	116.6
1236	K	27.6	Very low	27.7	Very low	191 Å²	191	143.3 Å²	143.3	83%	0.83	72%	0.724	S	S	*	*			trans	62.4	121	155.6	-72.8	-179.4	175.1	-168	0	121.7
1237	S	28.5	Very low	27.7	Very low	107 Å²	107	142.5 Å²	142.5	75%	0.748	72%	0.724	S	S	*	*				176.4	162.3	118.1	60.6	0	0	0	0	108.6
1238	D	29.6	Very low	28.1	Very low	145 Å²	145	139.9 Å²	139.9	78%	0.775	72%	0.721	S	S	*	*			cis	-157.5	-168.7	-35.2	-103.6	-48	0	0	0	107.9
1239	E	28.1	Very low	28.2	Very low	142 Å²	142	143.4 Å²	143.4	66%	0.664	74%	0.735	S	S	*	*			trans	-25.3	136.3	175.6	-57.5	-155.5	117	0	0	120.6
1240	K	26.5	Very low	28.7	Very low	150 Å²	150	139.6 Å²	139.6	65%	0.652	73%	0.727	S	S	*	*				88.5	154.3	123.5	-84.8	174.8	-164.4	144.5	0	123.8
1241	D	29.4	Very low	28.9	Very low	136 Å²	136	141.2 Å²	141.2	73%	0.727	74%	0.738	S	S	*	*			trans	79.5	133.8	152.7	-59	-16.3	0	0	0	122.3
1242	D	28.7	Very low	29	Very low	155 Å²	155	141.7 Å²	141.7	83%	0.829	73%	0.732	S	S	*	*			trans	65.2	130.4	163	-63.3	-28.9	0	0	0	123.7
1243	N	25.2	Very low	29	Very low	155 Å²	155	138.8 Å²	138.8	83%	0.829	72%	0.721	S	S	*	*			trans	-77.7	125.4	162.8	-49.3	-91.2	0	0	0	108.5
1244	E	28.9	Very low	28.7	Very low	190 Å²	190	139 Å²	139	89%	0.888	72%	0.723	S	S	*	*			trans	-125.7	115.1	135.7	-83.1	-149.7	137.8	0	0	109.7	H1246	E1244-H1246 PolarHBondContact O-N 2.74Å
1245	D	24.7	Very low	28.6	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	71%	0.714	S	S	*	*			trans	-54.3	130.4	145.6	-88.4	-66.1	0	0	0	108.4
1246	H	31.9	Very low	28.7	Very low	140 Å²	140	138.8 Å²	138.8	65%	0.648	71%	0.711	S	S	*	*				179.1	140.1	110.8	-94	-19.2	0	0	0	117.1	E1244	E1244-H1246 PolarHBondContact O-N 2.74Å
1247	K	26.8	Very low	28.6	Very low	145 Å²	145	138.4 Å²	138.4	63%	0.63	71%	0.709	S	S	*	*			trans	51.5	105.5	136.5	-59.1	159.1	-176.2	152.4	0	115.2
1248	S	31.9	Very low	28.5	Very low	119 Å²	119	138.8 Å²	138.8	83%	0.832	71%	0.707	S	S	*	*				-170.3	154.5	61.7	30.7	0	0	0	0	111
1249	N	27.7	Very low	28.2	Very low	132 Å²	132	141.3 Å²	141.3	71%	0.706	71%	0.706	S	S	*	*			cis	154.6	158.7	-13.9	-116.1	13.5	0	0	0	104.3
1250	P	37.9	Very low	28.1	Very low	87 Å²	87	141.4 Å²	141.4	57%	0.565	71%	0.706	S	S	*	*			cis	-146.5	-153.7	-48.1	37	-14.7	0	0	0	110.8
1251	I	29.8	Very low	28	Very low	144 Å²	144	142.7 Å²	142.7	74%	0.738	72%	0.716	S	S	*	*			trans	71.5	132	144.9	-78.3	179.5	0	0	0	116.8
1252	N	28.8	Very low	28.6	Very low	114 Å²	114	140.9 Å²	140.9	61%	0.61	71%	0.712	S	S	*	*			cis	-144.1	140.5	4.9	-119.1	10.5	0	0	0	110.2
1253	I	29.7	Very low	28.5	Very low	119 Å²	119	142.6 Å²	142.6	61%	0.61	71%	0.712	S	S	*	*				62.9	106.2	92.5	-63.5	-173.4	0	0	0	112.6
1254	E	25.8	Very low	28.7	Very low	163 Å²	163	147.2 Å²	147.2	76%	0.762	72%	0.718	S	S	*	*				62.8	151	102.7	-49.4	178.9	145.9	0	0	114.1
1255	D	27.1	Very low	28.5	Very low	97 Å²	97	144.9 Å²	144.9	52%	0.519	71%	0.711	S	S	.	*			cis	-167.3	166.5	27.9	-153.8	-14.8	0	0	0	113.7
1256	K	27.3	Very low	28.7	Very low	149 Å²	149	143.5 Å²	143.5	65%	0.648	71%	0.708	S	S	*	*			trans	55.4	135.8	147.7	-88.6	151.1	-154.4	149.2	0	121.9
1257	K	25.6	Very low	28.5	Very low	183 Å²	183	141.9 Å²	141.9	80%	0.796	71%	0.712	S	S	*	*			trans	77.9	149.7	135.3	-75.9	176.9	-176.5	-179.4	0	117.3
1258	V	26.1	Very low	28.5	Very low	114 Å²	114	138.2 Å²	138.2	69%	0.691	72%	0.715	S	S	*	*			cis	-163.9	148.3	-10.5	99.5	0	0	0	0	113.3
1259	R	24.6	Very low	28.1	Very low	199 Å²	199	138.5 Å²	138.5	75%	0.751	71%	0.712	S	S	*	*			trans	62.6	162.5	149.6	-76.9	-163	-162	175.4	0.8	124.2
1260	E	26.7	Very low	28	Very low	144 Å²	144	142.5 Å²	142.5	67%	0.673	72%	0.717	S	S	*	*			trans	67.7	113.4	148.1	-76.7	160.2	-137	0	0	116.9
1261	M	24.1	Very low	27.4	Very low	177 Å²	177	145.9 Å²	145.9	87%	0.872	72%	0.723	S	S	*	*				92	149.2	57.6	-83.9	-146	104.1	0	0	113.6
1262	P	42.1	Very low	27.2	Very low	98 Å²	98	144.8 Å²	144.8	64%	0.636	72%	0.716	S	S	*	*			trans	-100.9	166.6	-148.8	38.7	-37	0	0	0	114.5
1263	K	26.6	Very low	27.2	Very low	191 Å²	191	148.4 Å²	148.4	83%	0.83	72%	0.723	S	S	*	*			trans	-154.8	135.4	145	-105.4	143.2	-173	172.9	0	111.2
1264	W	28.3	Very low	27.2	Very low	252 Å²	252	148.7 Å²	148.7	96%	0.955	73%	0.726	S	S	*	*			trans	-72.6	133.3	151.1	-74.1	15.8	0	0	0	108.2
1265	L	25.6	Very low	27.3	Very low	141 Å²	141	145 Å²	145	74%	0.738	72%	0.718	S	S	*	*			trans	-158.9	135.6	158.8	-126.5	112	0	0	0	110.2
1266	T	27.8	Very low	27.4	Very low	106 Å²	106	145.5 Å²	145.5	65%	0.65	74%	0.735	S	S	*	*			trans	40.3	118.8	154.1	54.9	0	0	0	0	118.7
1267	S	28	Very low	27.4	Very low	106 Å²	106	141.8 Å²	141.8	74%	0.741	74%	0.739	S	S	*	*			cis	46.6	74.2	31.4	89.5	0	0	0	0	113.7
1268	G	26.3	Very low	27.4	Very low	68 Å²	68	137.4 Å²	137.4	70%	0.701	73%	0.731	S	S	*	*			trans	-130.5	57.7	175.8	0	0	0	0	0	112.4
1269	T	24.4	Very low	27.4	Very low	124 Å²	124	138.5 Å²	138.5	76%	0.761	73%	0.733	S	S	*	*				51.9	97.2	99.6	67.3	0	0	0	0	115.7
1270	R	25	Very low	27.7	Very low	217 Å²	217	136.1 Å²	136.1	82%	0.819	74%	0.736	S	S	*	*				-168.4	127.2	126.2	-104	-171.5	179.6	-160.7	0.3	108.3
1271	K	24.9	Very low	27.7	Very low	158 Å²	158	133.7 Å²	133.7	69%	0.687	73%	0.734	S	S	*	*				67.9	130.3	88.6	-87	-159.8	171.6	-157	0	112
1272	M	26.7	Very low	28.1	Very low	120 Å²	120	130.6 Å²	130.6	59%	0.591	73%	0.726	S	S	*	*			cis	-150.8	175	2.1	-57.4	-169	-79.9	0	0	109.4
1273	Y	29.2	Very low	27.4	Very low	191 Å²	191	130.6 Å²	130.6	75%	0.749	73%	0.728	S	S	*	*			trans	68	152.9	167	-54.2	-66.4	0	0	0	114.9
1274	D	29.2	Very low	27.6	Very low	125 Å²	125	128.5 Å²	128.5	67%	0.668	73%	0.725	S	S	*	*			cis	-143.6	166.3	-2.5	-133.6	-37	0	0	0	113.5
1275	S	28.2	Very low	27.7	Very low	86 Å²	86	121.7 Å²	121.7	60%	0.601	71%	0.707	S	S	*	*			trans	-11.5	135.9	142.9	-47.2	0	0	0	0	115	G1277	S1275-G1277 VanDerWaalsContact C-N 3.25Å; S1275-G1277 PolarHBondContact O-N 2.98Å; S1275-G1277 VanDerWaalsContact O-N 3.15Å
1276	A	27.8	Very low	27.8	Very low	106 Å²	106	121.8 Å²	121.8	88%	0.876	70%	0.704	S	S	*	*				45.7	48.3	71.7	0	0	0	0	0	113.4
1277	G	28	Very low	27.9	Very low	71 Å²	71	123.4 Å²	123.4	73%	0.732	70%	0.704	S	S	*	*			trans	-124.4	81.9	176.3	0	0	0	0	0	110.6	S1275	S1275-G1277 VanDerWaalsContact C-N 3.25Å; S1275-G1277 PolarHBondContact O-N 2.98Å; S1275-G1277 VanDerWaalsContact O-N 3.15Å
1278	S	26.8	Very low	27.9	Very low	91 Å²	91	125.1 Å²	125.1	64%	0.636	71%	0.705	S	S	*	*				78.6	106.1	54.6	-161.8	0	0	0	0	112.9
1279	N	26.2	Very low	27.9	Very low	137 Å²	137	127 Å²	127	73%	0.733	71%	0.708	S	S	*	*			trans	55.9	122.5	137.8	-54.8	-10.3	0	0	0	120.4
1280	N	29	Very low	28	Very low	150 Å²	150	128 Å²	128	80%	0.802	71%	0.713	S	S	*	*				-156.6	122.1	101.4	-94.6	-24.1	0	0	0	108.9
1281	S	28.5	Very low	28	Very low	92 Å²	92	122.7 Å²	122.7	64%	0.643	71%	0.708	S	S	*	*				96.2	157.2	64.1	83.4	0	0	0	0	110.8
1282	T	31.4	Very low	27.8	Very low	112 Å²	112	120 Å²	120	69%	0.687	71%	0.71	S	S	*	*			cis	-158.3	146.4	8.9	-20.4	0	0	0	0	111.2
1283	S	28.4	Very low	27.7	Very low	98 Å²	98	119.9 Å²	119.9	69%	0.685	72%	0.716	S	S	*	*			trans	58.9	156.7	147.2	61.8	0	0	0	0	119.6
1284	L	30.7	Very low	27.7	Very low	148 Å²	148	119.3 Å²	119.3	78%	0.775	72%	0.719	S	S	*	*			cis	-127.4	165.2	4	-76.8	85.5	0	0	0	107.9
1285	N	30.5	Very low	27.5	Very low	108 Å²	108	117.6 Å²	117.6	58%	0.578	72%	0.717	S	S	*	*			cis	-155.3	162.6	-8.7	-111.9	18.2	0	0	0	107.3
1286	Q	26.9	Very low	27.4	Very low	144 Å²	144	118.4 Å²	118.4	67%	0.673	72%	0.723	S	S	*	*				53.2	134.5	69.5	-59.4	-176.8	-12.2	0	0	114.8
1287	H	29.6	Very low	27.4	Very low	139 Å²	139	122.3 Å²	122.3	64%	0.644	72%	0.72	S	S	*	*			cis	-156.8	158.8	20.7	-121.2	-59.4	0	0	0	113.3
1288	N	28.5	Very low	27.4	Very low	142 Å²	142	124.1 Å²	124.1	76%	0.759	71%	0.713	S	S	*	*			trans	67.5	140.4	145.6	-67.1	-10.6	0	0	0	123.7
1289	S	25.1	Very low	27.5	Very low	109 Å²	109	126.1 Å²	126.1	76%	0.762	71%	0.712	S	S	*	*			trans	-111.2	133.7	164.3	54	0	0	0	0	110.5
1290	T	28.4	Very low	27.6	Very low	143 Å²	143	125.9 Å²	125.9	88%	0.877	71%	0.711	S	S	*	*			trans	-160.8	166.1	156.5	8.3	0	0	0	0	113.8
1291	C	23.5	Very low	27.5	Very low	106 Å²	106	124.9 Å²	124.9	72%	0.716	71%	0.705	S	S	*	*			trans	-59.8	142.6	-169.2	-51.5	0	0	0	0	118.7
1292	S	22.1	Very low	27.6	Very low	102 Å²	102	125.9 Å²	125.9	71%	0.713	71%	0.707	S	S	*	*				75.9	153.6	121.8	73.2	0	0	0	0	122
1293	V	24.4	Very low	27.4	Very low	118 Å²	118	125.3 Å²	125.3	72%	0.715	71%	0.708	S	S	*	*			trans	71	135.4	164	-176.1	0	0	0	0	114.2
1294	H	27.8	Very low	27.4	Very low	179 Å²	179	126.7 Å²	126.7	83%	0.829	71%	0.712	S	S	*	*			cis	-146.8	-175.1	19.5	-132	-23.6	0	0	0	113.4
1295	S	26.8	Very low	27.1	Very low	88 Å²	88	124.5 Å²	124.5	62%	0.615	71%	0.709	S	S	*	*			trans	17.4	125	154.1	-147.1	0	0	0	0	120
1296	S	25	Very low	27.1	Very low	104 Å²	104	125.3 Å²	125.3	73%	0.727	72%	0.718	S	S	*	*			cis	65.8	142.7	47.8	-52.4	0	0	0	0	116
1297	K	27.1	Very low	27	Very low	188 Å²	188	129.5 Å²	129.5	82%	0.817	73%	0.728	S	S	*	*			trans	74.5	147.8	168.6	-65.8	-175.1	179.1	-179.6	0	116.1
1298	N	29.5	Very low	26.9	Very low	108 Å²	108	129 Å²	129	58%	0.578	74%	0.735	S	S	*	*			cis	-145	148.2	7.7	-122.7	13.6	0	0	0	111
1299	Q	27.5	Very low	26.7	Very low	134 Å²	134	133.1 Å²	133.1	63%	0.626	74%	0.739	S	S	*	*				61.7	140.3	97.6	-67.2	-175.3	-44.6	0	0	114.6
1300	D	29	Very low	26.8	Very low	131 Å²	131	134.9 Å²	134.9	70%	0.701	74%	0.74	S	S	*	*			cis	-127.2	162.7	17.5	-79.7	-64.6	0	0	0	111.9
1301	L	27.4	Very low	26.6	Very low	129 Å²	129	134 Å²	134	68%	0.675	73%	0.734	S	S	*	*			cis	68.6	137.3	45.6	-55.3	172.1	0	0	0	112.1
1302	T	29.2	Very low	27.4	Very low	114 Å²	114	134.5 Å²	134.5	70%	0.699	74%	0.736	S	S	*	*			cis	-156.4	156.2	29.2	50.7	0	0	0	0	113.8
1303	S	27.7	Very low	27.6	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	74%	0.744	S	S	*	*			trans	56.8	159	132.8	82.5	0	0	0	0	122.9
1304	T	28.3	Very low	27.6	Very low	128 Å²	128	136.4 Å²	136.4	79%	0.785	74%	0.74	S	S	*	*			cis	-159.3	152.6	-9.4	0.6	0	0	0	0	113.1
1305	S	25.4	Very low	27.5	Very low	101 Å²	101	132.3 Å²	132.3	71%	0.706	73%	0.732	S	S	*	*			trans	18.3	136.8	143.1	-173.4	0	0	0	0	122.3
1306	T	29.6	Very low	27.6	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	74%	0.742	S	S	*	*				179.1	135.1	99.1	-68.2	0	0	0	0	116.9
1307	R	25	Very low	27.5	Very low	232 Å²	232	139 Å²	139	88%	0.875	75%	0.747	S	S	*	*			trans	-16.5	168.3	158.8	-145.1	177.1	-161.6	165.1	4.9	122.6
1308	V	27.8	Very low	28	Very low	129 Å²	129	134.9 Å²	134.9	78%	0.782	74%	0.739	S	S	*	*			trans	99.2	117.3	167.4	-176.5	0	0	0	0	113
1309	R	23.7	Very low	27.9	Very low	227 Å²	227	135.8 Å²	135.8	86%	0.857	75%	0.748	S	S	*	*			cis	88.5	100.3	26.2	-164.8	-162.8	-161.8	-167.4	7.2	115
1310	L	27.3	Very low	27.7	Very low	147 Å²	147	133.5 Å²	133.5	77%	0.77	75%	0.747	S	S	*	*			trans	174.5	127.9	130.3	-95.2	166.8	0	0	0	114.7
1311	T	25.6	Very low	27.7	Very low	125 Å²	125	135.5 Å²	135.5	77%	0.767	75%	0.75	S	S	*	*			trans	40.6	145.7	146.3	46.4	0	0	0	0	125.4
1312	P	38.8	Very low	27.7	Very low	116 Å²	116	135.6 Å²	135.6	75%	0.753	75%	0.751	S	S	*	*			trans	-105.9	-179.4	174.6	43.3	-36.6	0	0	0	114.7
1313	L	26.1	Very low	27.8	Very low	170 Å²	170	134.9 Å²	134.9	89%	0.89	75%	0.747	S	S	*	*			trans	140.5	151.4	163.4	-80.2	160.3	0	0	0	108.4
1314	S	26	Very low	27.8	Very low	90 Å²	90	137 Å²	137	63%	0.629	75%	0.751	S	S	*	*			cis	-165.5	168	-15.9	52.7	0	0	0	0	109.2
1315	S	24.7	Very low	27.8	Very low	92 Å²	92	139.1 Å²	139.1	64%	0.643	75%	0.751	S	S	*	*			trans	40.4	137.8	150	72.7	0	0	0	0	120.7
1316	D	28.3	Very low	27.9	Very low	158 Å²	158	139.1 Å²	139.1	85%	0.845	75%	0.752	S	S	*	*				-162.4	175.6	52.2	-91.1	-65.6	0	0	0	114
1317	E	23.3	Very low	27.9	Very low	176 Å²	176	139 Å²	139	82%	0.822	75%	0.751	S	S	*	*			trans	-96.1	-165.4	174.3	-125.2	-173.7	-150.2	0	0	110.5
1318	P	37.7	Very low	28	Very low	100 Å²	100	135.4 Å²	135.4	65%	0.649	74%	0.744	S	S	*	*			cis	-135.3	-161.6	-23.7	28	-3.9	0	0	0	114
1319	V	27.7	Very low	27.9	Very low	128 Å²	128	137.2 Å²	137.2	78%	0.776	74%	0.741	S	S	*	*			trans	124.1	128.2	144.2	-176.7	0	0	0	0	116.7
1320	S	24.3	Very low	28.1	Very low	86 Å²	86	131.4 Å²	131.4	60%	0.601	73%	0.732	S	S	*	*			trans	-81	169.6	-176.2	53.5	0	0	0	0	116
1321	F	28.2	Very low	28	Very low	172 Å²	172	132.4 Å²	132.4	75%	0.754	73%	0.734	S	S	*	*				177.7	126.4	111.4	-100.2	-69.9	0	0	0	114.3
1322	N	27.3	Very low	28	Very low	131 Å²	131	133 Å²	133	70%	0.701	73%	0.733	S	S	*	*			trans	51.6	156.5	134.9	-74.6	15.9	0	0	0	123
1323	T	30.1	Very low	27.4	Very low	100 Å²	100	134.8 Å²	134.8	61%	0.613	74%	0.735	S	S	*	*			cis	-166.2	152.9	2.2	13.5	0	0	0	0	113.5
1324	N	27.9	Very low	27.8	Very low	144 Å²	144	131.8 Å²	131.8	77%	0.77	73%	0.726	S	S	*	*			trans	62.1	163.5	148.9	-54.4	-13.3	0	0	0	119.5
1325	E	29.9	Very low	27.9	Very low	171 Å²	171	134.6 Å²	134.6	80%	0.799	73%	0.733	S	S	*	*			cis	-131.9	137.7	8.9	-74.1	-178.9	150.7	0	0	109.7
1326	S	26.2	Very low	28.1	Very low	102 Å²	102	136.6 Å²	136.6	71%	0.713	74%	0.736	S	S	*	*				48.6	136.3	84	59.3	0	0	0	0	116.3
1327	T	30.3	Very low	28	Very low	123 Å²	123	136.9 Å²	136.9	76%	0.755	73%	0.733	S	S	*	*			cis	-153.7	155.1	40.2	49.3	0	0	0	0	117.5
1328	Q	26.7	Very low	28.3	Very low	156 Å²	156	134.8 Å²	134.8	73%	0.729	73%	0.726	S	S	*	*			trans	3.4	158	147.2	-59.7	165.7	-35.6	0	0	122.1
1329	F	26.8	Very low	27.8	Very low	167 Å²	167	137 Å²	137	73%	0.732	73%	0.732	S	S	*	*				-169.1	152.6	55.7	-114	-80.4	0	0	0	115.4
1330	T	26.7	Very low	27.8	Very low	106 Å²	106	135.5 Å²	135.5	65%	0.65	73%	0.728	S	S	*	*			trans	38.2	127.3	152.9	41.9	0	0	0	0	122.7
1331	M	25.3	Very low	27.9	Very low	168 Å²	168	139.3 Å²	139.3	83%	0.828	74%	0.736	S	S	*	*				72.3	138.3	71	-72	169.3	157.7	0	0	115.3
1332	D	26	Very low	28.5	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	73%	0.733	S	S	*	*			cis	-160	-158.7	-3.3	-143.5	-88.1	0	0	0	114.2
1333	L	25.8	Very low	28.6	Very low	152 Å²	152	135.9 Å²	135.9	80%	0.796	74%	0.735	S	S	*	*			trans	-91.4	-177.3	-179	-63.3	163.7	0	0	0	113.5
1334	P	35.2	Very low	28.5	Very low	107 Å²	107	137.6 Å²	137.6	70%	0.695	74%	0.741	S	S	*	*			cis	-139.7	-176.6	-1.6	43.8	-25.1	0	0	0	118.1
1335	L	28.7	Very low	28.5	Very low	150 Å²	150	136.3 Å²	136.3	79%	0.785	73%	0.734	S	S	*	*			trans	69.7	104.7	144.8	-80.2	162.2	0	0	0	125.5
1336	N	26.9	Very low	28.5	Very low	133 Å²	133	136.1 Å²	136.1	71%	0.711	73%	0.731	S	S	*	*				51.9	124.6	124	-79.2	0.5	0	0	0	126.9
1337	Q	28.1	Very low	28.5	Very low	164 Å²	164	138.4 Å²	138.4	77%	0.766	73%	0.734	S	S	*	*				101.1	138.7	121.4	-89.9	-171.8	-4	0	0	125.5
1338	I	28.8	Very low	28.3	Very low	133 Å²	133	137.5 Å²	137.5	68%	0.682	73%	0.733	S	S	*	*			trans	105.5	120.5	137.6	-82.7	163.2	0	0	0	122.6
1339	N	26.9	Very low	28.2	Very low	145 Å²	145	135.4 Å²	135.4	78%	0.775	74%	0.736	S	S	*	*			trans	68.1	154.1	150.2	-76.6	2.9	0	0	0	123
1340	S	28.6	Very low	28.4	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	74%	0.74	S	S	*	*			cis	-164.5	143.1	-8	42	0	0	0	0	115.7
1341	Q	26.3	Very low	28.6	Very low	166 Å²	166	131 Å²	131	78%	0.776	75%	0.748	S	S	*	*				17.3	149.6	129.3	-81.4	-76.4	-27	0	0	122
1342	P	40	Very low	28.7	Very low	108 Å²	108	130.9 Å²	130.9	70%	0.701	75%	0.751	S	S	*	*				-152.1	145.7	97.3	39.8	-22.1	0	0	0	119.9
1343	V	30.2	Very low	28.7	Very low	122 Å²	122	129.2 Å²	129.2	74%	0.739	75%	0.75	S	S	*	*				59.7	130.7	126.8	176.5	0	0	0	0	119.1
1344	N	27.4	Very low	28.8	Very low	137 Å²	137	125.4 Å²	125.4	73%	0.733	75%	0.748	S	S	*	*			cis	-153.4	-142	-2.4	-129.2	45.6	0	0	0	109.7
1345	N	28.2	Very low	28.6	Very low	116 Å²	116	126.6 Å²	126.6	62%	0.62	75%	0.753	S	S	*	*			cis	-161	-178.6	7.8	-148.6	6.1	0	0	0	114.3
1346	F	28.7	Very low	28.5	Very low	167 Å²	167	126.1 Å²	126.1	73%	0.732	75%	0.751	S	S	*	*			trans	58.7	85.1	163.5	-79.3	-73	0	0	0	121.2
1347	L	26.9	Very low	28.7	Very low	151 Å²	151	128 Å²	128	79%	0.791	76%	0.761	S	S	*	*				45.5	125.9	110	-73.9	163.9	0	0	0	123.1
1348	S	26	Very low	28.7	Very low	103 Å²	103	126.9 Å²	126.9	72%	0.72	76%	0.76	S	S	*	*				114	127.9	122.7	-156.1	0	0	0	0	120.7
1349	S	26	Very low	28.8	Very low	113 Å²	113	125.8 Å²	125.8	79%	0.79	76%	0.762	S	S	*	*			trans	49.6	113.1	142.7	60.7	0	0	0	0	121.2
1350	G	29.4	Very low	28.8	Very low	80 Å²	80	124.6 Å²	124.6	83%	0.825	76%	0.76	S	S	*	*			trans	-162.3	121	157.6	0	0	0	0	0	109
1351	A	31.4	Very low	28.8	Very low	100 Å²	100	127.4 Å²	127.4	83%	0.826	77%	0.765	S	S	*	*			trans	-77.6	150.1	-167.7	0	0	0	0	0	113.9
1352	D	26.7	Very low	28.8	Very low	165 Å²	165	127.1 Å²	127.1	88%	0.882	77%	0.769	S	S	*	*			trans	-145.2	126.1	133.1	-159.1	-4.7	0	0	0	109.2
1353	S	27.3	Very low	28.1	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	78%	0.779	S	S	*	*			trans	-169.3	113.3	-174.8	60.8	0	0	0	0	114.1
1354	G	28.2	Very low	27.9	Very low	73 Å²	73	131 Å²	131	75%	0.753	78%	0.778	S	S	*	*			trans	89.1	159	157.9	0	0	0	0	0	116.5
1355	V	29.9	Very low	27.9	Very low	132 Å²	132	132.2 Å²	132.2	80%	0.8	78%	0.784	S	S	*	*			cis	-141	161.1	-2.8	170.5	0	0	0	0	109.1
1356	D	26.5	Very low	27.7	Very low	140 Å²	140	134.1 Å²	134.1	75%	0.749	79%	0.794	S	S	*	*			trans	-46.5	154.2	177.7	-47.6	-89.3	0	0	0	116.5
1357	D	31.6	Very low	27.5	Very low	171 Å²	171	130.4 Å²	130.4	91%	0.914	79%	0.794	S	S	*	*				-154	127.5	116.6	-112.5	-25.2	0	0	0	110.7
1358	D	26.8	Very low	27.4	Very low	141 Å²	141	129 Å²	129	75%	0.754	79%	0.786	S	S	*	*			trans	-84.9	157.8	174.2	-151.1	6.3	0	0	0	108
1359	P	31.7	Very low	27.4	Very low	110 Å²	110	128.9 Å²	128.9	71%	0.714	78%	0.781	S	S	*	*				-157.1	173.5	69.9	39.6	-16.2	0	0	0	118.4
1360	V	26.8	Very low	27.5	Very low	121 Å²	121	130.7 Å²	130.7	73%	0.733	77%	0.772	S	S	*	*			trans	75.2	75.1	156.9	-155.8	0	0	0	0	119
1361	I	29.4	Very low	27.3	Very low	156 Å²	156	131.8 Å²	131.8	80%	0.8	76%	0.764	S	S	*	*				-136.2	93.6	129.8	-54	-178.2	0	0	0	110
1362	N	26.2	Very low	27	Very low	160 Å²	160	132.8 Å²	132.8	86%	0.856	77%	0.765	S	S	*	*			trans	-144.7	49.5	173.4	-148.2	-12.2	0	0	0	112.7
1363	Q	25	Very low	27	Very low	192 Å²	192	135.8 Å²	135.8	90%	0.897	76%	0.764	S	S	*	*	S	Bend	trans	-147.9	0.6	180	-116.5	174.1	29.6	0	0	116.5
1364	T	26.2	Very low	26.8	Very low	120 Å²	120	140.1 Å²	140.1	74%	0.736	77%	0.773	S	S	*	*			trans	-122.7	60.4	-162.8	-38.3	0	0	0	0	114
1365	L	26.2	Very low	26.7	Very low	162 Å²	162	142.1 Å²	142.1	85%	0.848	78%	0.776	S	S	*	*			trans	-131.2	8.7	175.4	-101.4	170.2	0	0	0	115.8
1366	N	24.5	Very low	26.8	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	77%	0.77	S	S	*	*			trans	-104.4	52.9	178.8	-82.8	-7	0	0	0	113.1
1367	A	24	Very low	26.9	Very low	88 Å²	88	145.7 Å²	145.7	73%	0.727	78%	0.779	S	S	*	*			trans	-148.1	49.8	-176.4	0	0	0	0	0	115.1
1368	I	26.2	Very low	26.6	Very low	122 Å²	122	145.5 Å²	145.5	63%	0.626	77%	0.773	S	S	*	*			trans	-122.6	93.4	164.5	-53.1	-178.5	0	0	0	110.4	K1438	I1368-K1438 PolarHBondContact O-NZ 3.19Å
1369	T	25.5	Very low	26.7	Very low	100 Å²	100	146.2 Å²	146.2	61%	0.613	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-103.6	133.9	154.9	21.3	0	0	0	0	107.6	P1371	T1369-P1371 WeakPolarHBondContact O-CD 3.28Å
1370	Y	28.1	Very low	26.7	Very low	152 Å²	152	144.6 Å²	144.6	60%	0.596	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-63.2	125.1	179	-82.3	-96	0	0	0	110.6	A170 S1372	A170-Y1370 HydrophobicContact CB-CD1 4.36Å; A170-Y1370 HydrophobicContact CB-CE1 3.55Å; Y1370-S1372 PolarHBondContact O-N 3.07Å
1371	P	24.8	Very low	27.1	Very low	103 Å²	103	144.3 Å²	144.3	67%	0.669	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-72.3	116.3	167.1	29.4	-31.3	0	0	0	108.6	T1369 R1373	T1369-P1371 WeakPolarHBondContact O-CD 3.28Å; P1371-R1373 VanDerWaalsContact C-N 3.29Å; P1371-R1373 PolarHBondContact O-N 2.76Å
1372	S	25.2	Very low	27.3	Very low	120 Å²	120	138.5 Å²	138.5	84%	0.839	73%	0.733	S	S	*	*			trans	-69.8	82.6	178	57.3	0	0	0	0	111.1	Y1370	Y1370-S1372 PolarHBondContact O-N 3.07Å
1373	R	26.7	Very low	27.8	Very low	228 Å²	228	138 Å²	138	86%	0.86	72%	0.719	S	S	*	*			trans	-67.3	132.6	173	-87.7	-170.7	169	-169.1	-2.2	110.6	P1371	P1371-R1373 VanDerWaalsContact C-N 3.29Å; P1371-R1373 PolarHBondContact O-N 2.76Å
1374	Q	23.7	Very low	28.2	Very low	195 Å²	195	134.2 Å²	134.2	91%	0.911	70%	0.704	S	S	*	*			trans	-75.6	138.4	170.3	-62.6	157.6	-41.9	0	0	109.5
1375	S	26.8	Very low	28.7	Very low	115 Å²	115	132.1 Å²	132.1	80%	0.804	69%	0.691	S	S	*	*			trans	-159	157.3	168	-121.7	0	0	0	0	108.8
1376	P	30.9	Very low	29.1	Very low	105 Å²	105	131.6 Å²	131.6	68%	0.682	68%	0.678	S	S	*	*				-129.6	119.9	-111.8	31.5	-12.9	0	0	0	114.5
1377	Y	28.1	Very low	29.7	Very low	241 Å²	241	127.7 Å²	127.7	95%	0.945	65%	0.654	S	S	*	*			trans	-116	118.7	156.7	-81.9	-78.5	0	0	0	109.8	L1379	Y1377-L1379 PolarHBondContact O-N 3.09Å
1378	H	25.6	Very low	30.3	Very low	168 Å²	168	127.1 Å²	127.1	78%	0.778	64%	0.642	S	S	*	*			trans	-92.7	75.4	-158.4	-158.8	-72.8	0	0	0	112.3
1379	L	29.5	Very low	30.7	Very low	155 Å²	155	126.6 Å²	126.6	81%	0.812	64%	0.637	S	S	*	*			trans	-81.4	113.7	164.6	-125.6	75.4	0	0	0	109.1	Y1377 I1381	Y1377-L1379 PolarHBondContact O-N 3.09Å; L1379-I1381 VanDerWaalsContact C-N 3.28Å; L1379-I1381 PolarHBondContact O-N 2.94Å
1380	D	32.3	Very low	31.1	Very low	77 Å²	77	127.6 Å²	127.6	41%	0.412	64%	0.635	S	S	.	*			trans	-78.3	72.4	-171.2	-168.5	-1.2	0	0	0	113	G1382 R1383 L1384	D1380-G1382 PolarHBondContact O-N 2.9Å; D1380-G1382 WeakPolarHBondContact OD1-CA 3.4Å; D1380-G1382 PolarHBondContact OD1-N 3.12Å; D1380-G1382 VanDerWaalsContact OD1-N 3.16Å; D1380-R1383 HydrophobicContact CB-CB 4.17Å; D1380-R1383 VanDerWaalsContact CG-CB 3.47Å; D1380-R1383 WeakPolarHBondContact O-CB 3.49Å; D1380-R1383 PolarHBondContact O-N 3.39Å; D1380-R1383 VanDerWaalsContact O-N 3.09Å; D1380-R1383 PolarHBondContact OD1-N 2.89Å; D1380-R1383 WeakPolarHBondContact OD2-CB 3.44Å; D1380-L1384 PolarHBondContact O-N 3.48Å
1381	I	34	Very low	31.5	Very low	114 Å²	114	125.5 Å²	125.5	59%	0.585	63%	0.633	S	S	*	*	H	α-helix	trans	-61	-26.6	171	-64.1	171.6	0	0	0	110.6	L1379 R1383 L1384 V1385	L1379-I1381 VanDerWaalsContact C-N 3.28Å; L1379-I1381 PolarHBondContact O-N 2.94Å; I1381-R1383 VanDerWaalsContact C-N 3.28Å; I1381-R1383 PolarHBondContact O-N 2.87Å; I1381-L1384 PolarHBondContact O-N 2.85Å; I1381-V1385 HydrophobicContact CG2-CG2 4.18Å; I1381-V1385 WeakPolarHBondContact O-CG2 3.34Å; I1381-V1385 PolarHBondContact O-N 2.83Å
1382	G	34.6	Very low	31.9	Very low	34 Å²	34	129.8 Å²	129.8	35%	0.351	64%	0.637	S	S	.	*	H	α-helix	trans	-63.9	-31.6	173.9	0	0	0	0	0	112.9	D1380 R1386	D1380-G1382 PolarHBondContact O-N 2.9Å; D1380-G1382 WeakPolarHBondContact OD1-CA 3.4Å; D1380-G1382 PolarHBondContact OD1-N 3.12Å; D1380-G1382 VanDerWaalsContact OD1-N 3.16Å; G1382-R1386 WeakPolarHBondContact O-CG 3.18Å; G1382-R1386 PolarHBondContact O-N 3.38Å; G1382-R1386 PolarHBondContact O-NE 2.94Å; G1382-R1386 PolarHBondContact O-NH2 2.99Å
1383	R	35.1	Very low	32.2	Very low	150 Å²	150	133.7 Å²	133.7	57%	0.566	63%	0.633	S	S	*	*	H	α-helix	trans	-73.7	-46.8	170	-178.7	171.6	179.4	165.4	4.2	111.8	D1380 I1381 V1385 R1386 E1387	D1380-R1383 HydrophobicContact CB-CB 4.17Å; D1380-R1383 VanDerWaalsContact CG-CB 3.47Å; D1380-R1383 WeakPolarHBondContact O-CB 3.49Å; D1380-R1383 PolarHBondContact O-N 3.39Å; D1380-R1383 VanDerWaalsContact O-N 3.09Å; D1380-R1383 PolarHBondContact OD1-N 2.89Å; D1380-R1383 WeakPolarHBondContact OD2-CB 3.44Å; I1381-R1383 VanDerWaalsContact C-N 3.28Å; I1381-R1383 PolarHBondContact O-N 2.87Å; R1383-V1385 VanDerWaalsContact C-N 3.32Å; R1383-V1385 PolarHBondContact O-N 2.83Å; R1383-R1386 PolarHBondContact O-N 2.86Å; R1383-R1386 VanDerWaalsContact O-N 3.13Å; R1383-E1387 HydrophobicContact CG-CG 4.27Å; R1383-E1387 IonicContact CZ-OE1 2.7Å; R1383-E1387 VanDerWaalsContact CZ-OE1 3.27Å; R1383-E1387 IonicContact NE-OE1 2.59Å; R1383-E1387 PolarHBondContact NE-OE1 3.22Å; R1383-E1387 IonicContact NE-OE2 3.02Å; R1383-E1387 IonicContact NH2-OE1 2.63Å; R1383-E1387 PolarHBondContact NH2-OE1 2.86Å; R1383-E1387 PolarHBondContact O-N 2.88Å
1384	L	33.9	Very low	32.4	Very low	113 Å²	113	132.7 Å²	132.7	59%	0.592	63%	0.63	S	S	*	*	H	α-helix	trans	-60.5	-39.6	-179.8	-169.2	69.2	0	0	0	112.7	D1380 I1381 T1388	D1380-L1384 PolarHBondContact O-N 3.48Å; I1381-L1384 PolarHBondContact O-N 2.85Å; L1384-T1388 WeakPolarHBondContact O-CB 3.39Å; L1384-T1388 PolarHBondContact O-N 2.83Å; L1384-T1388 PolarHBondContact O-OG1 2.92Å
1385	V	37.1	Very low	32.7	Very low	75 Å²	75	132.2 Å²	132.2	46%	0.455	63%	0.625	S	S	.	*	H	α-helix	trans	-65	-45.1	174.7	171.8	0	0	0	0	111	I1381 R1383 T1388 E1389	I1381-V1385 HydrophobicContact CG2-CG2 4.18Å; I1381-V1385 WeakPolarHBondContact O-CG2 3.34Å; I1381-V1385 PolarHBondContact O-N 2.83Å; R1383-V1385 VanDerWaalsContact C-N 3.32Å; R1383-V1385 PolarHBondContact O-N 2.83Å; V1385-T1388 PolarHBondContact O-N 3.31Å; V1385-E1389 WeakPolarHBondContact O-CG 3.44Å; V1385-E1389 PolarHBondContact O-N 2.79Å
1386	R	35.6	Very low	32.7	Very low	151 Å²	151	131.6 Å²	131.6	57%	0.57	62%	0.621	S	S	*	*	H	α-helix	trans	-67.9	-36.6	179	-77.5	177.3	-71.8	-161.6	1.1	113.2	G1382 R1383 E1389 Q1390	G1382-R1386 WeakPolarHBondContact O-CG 3.18Å; G1382-R1386 PolarHBondContact O-N 3.38Å; G1382-R1386 PolarHBondContact O-NE 2.94Å; G1382-R1386 PolarHBondContact O-NH2 2.99Å; R1383-R1386 PolarHBondContact O-N 2.86Å; R1383-R1386 VanDerWaalsContact O-N 3.13Å; R1386-E1389 PolarHBondContact O-N 2.95Å; R1386-Q1390 WeakPolarHBondContact O-CB 3.31Å; R1386-Q1390 WeakPolarHBondContact O-CG 3.24Å; R1386-Q1390 PolarHBondContact O-N 2.85Å
1387	E	36.3	Very low	32.4	Very low	75 Å²	75	131.9 Å²	131.9	35%	0.35	63%	0.625	S	S	.	*	H	α-helix	trans	-69.5	-37.6	173.6	-73.1	175.4	167.6	0	0	111.1	R1383 Q1390 I1391	R1383-E1387 HydrophobicContact CG-CG 4.27Å; R1383-E1387 IonicContact CZ-OE1 2.7Å; R1383-E1387 VanDerWaalsContact CZ-OE1 3.27Å; R1383-E1387 IonicContact NE-OE1 2.59Å; R1383-E1387 PolarHBondContact NE-OE1 3.22Å; R1383-E1387 IonicContact NE-OE2 3.02Å; R1383-E1387 IonicContact NH2-OE1 2.63Å; R1383-E1387 PolarHBondContact NH2-OE1 2.86Å; R1383-E1387 PolarHBondContact O-N 2.88Å; E1387-Q1390 PolarHBondContact O-N 2.86Å; E1387-I1391 WeakPolarHBondContact O-CB 3.47Å; E1387-I1391 VanDerWaalsContact O-CG1 3.27Å; E1387-I1391 WeakPolarHBondContact O-CG1 3.35Å; E1387-I1391 PolarHBondContact O-N 2.87Å
1388	T	36.7	Very low	32.5	Very low	77 Å²	77	125 Å²	125	47%	0.472	62%	0.618	S	S	.	*	H	α-helix	trans	-65.4	-42.5	173	-53.8	0	0	0	0	111.8	L1384 V1385 I1391 Y1392	L1384-T1388 WeakPolarHBondContact O-CB 3.39Å; L1384-T1388 PolarHBondContact O-N 2.83Å; L1384-T1388 PolarHBondContact O-OG1 2.92Å; V1385-T1388 PolarHBondContact O-N 3.31Å; T1388-I1391 PolarHBondContact O-N 3.32Å; T1388-Y1392 PolarHBondContact O-N 3.08Å
1389	E	35	Very low	32.7	Very low	111 Å²	111	122 Å²	122	52%	0.519	62%	0.622	S	S	.	*	H	α-helix	trans	-66.3	-36.2	174	-74.5	-169.2	140.9	0	0	112.6	V1385 R1386 Y1392 R1393	V1385-E1389 WeakPolarHBondContact O-CG 3.44Å; V1385-E1389 PolarHBondContact O-N 2.79Å; R1386-E1389 PolarHBondContact O-N 2.95Å; E1389-Y1392 PolarHBondContact O-N 3Å; E1389-R1393 WeakPolarHBondContact O-CB 3.44Å; E1389-R1393 WeakPolarHBondContact O-CG 3.49Å; E1389-R1393 PolarHBondContact O-N 2.89Å
1390	Q	33.8	Very low	32.8	Very low	121 Å²	121	120.2 Å²	120.2	57%	0.565	62%	0.62	S	S	*	*	H	α-helix	trans	-68.8	-35.2	174.1	-79.6	-176.9	-19.8	0	0	112.5	R1386 E1387 R1393 R1394	R1386-Q1390 WeakPolarHBondContact O-CB 3.31Å; R1386-Q1390 WeakPolarHBondContact O-CG 3.24Å; R1386-Q1390 PolarHBondContact O-N 2.85Å; E1387-Q1390 PolarHBondContact O-N 2.86Å; Q1390-R1393 PolarHBondContact O-N 2.82Å; Q1390-R1394 WeakPolarHBondContact O-CB 3.38Å; Q1390-R1394 WeakPolarHBondContact O-CG 3.34Å; Q1390-R1394 PolarHBondContact O-N 2.73Å
1391	I	36.2	Very low	32.4	Very low	108 Å²	108	123.3 Å²	123.3	55%	0.554	64%	0.641	S	S	*	*	H	α-helix	trans	-66.6	-44.7	171.6	-70.3	164.6	0	0	0	110.2	E1387 T1388 R1393 R1394 F1395	E1387-I1391 WeakPolarHBondContact O-CB 3.47Å; E1387-I1391 VanDerWaalsContact O-CG1 3.27Å; E1387-I1391 WeakPolarHBondContact O-CG1 3.35Å; E1387-I1391 PolarHBondContact O-N 2.87Å; T1388-I1391 PolarHBondContact O-N 3.32Å; I1391-R1393 VanDerWaalsContact C-N 3.32Å; I1391-R1393 PolarHBondContact O-N 2.84Å; I1391-R1394 PolarHBondContact O-N 2.97Å; I1391-R1394 VanDerWaalsContact O-N 3.1Å; I1391-F1395 HydrophobicContact CG2-CD2 4.48Å; I1391-F1395 PolarHBondContact O-N 2.61Å
1392	Y	32.3	Very low	32.3	Very low	193 Å²	193	122.9 Å²	122.9	76%	0.757	66%	0.655	S	S	*	*	H	α-helix	trans	-65.1	-32.9	176.9	-130.1	-85.8	0	0	0	112.9	T1388 E1389	T1388-Y1392 PolarHBondContact O-N 3.08Å; E1389-Y1392 PolarHBondContact O-N 3Å
1393	R	31.2	Very low	31.9	Very low	201 Å²	201	127.1 Å²	127.1	76%	0.758	68%	0.679	S	S	*	*	H	α-helix	trans	-77.2	-18.9	172.3	-73.4	-173.7	-173.7	-135.1	6.4	114.1	E1389 Q1390 I1391	E1389-R1393 WeakPolarHBondContact O-CB 3.44Å; E1389-R1393 WeakPolarHBondContact O-CG 3.49Å; E1389-R1393 PolarHBondContact O-N 2.89Å; Q1390-R1393 PolarHBondContact O-N 2.82Å; I1391-R1393 VanDerWaalsContact C-N 3.32Å; I1391-R1393 PolarHBondContact O-N 2.84Å
1394	R	31.4	Very low	31.4	Very low	208 Å²	208	123.2 Å²	123.2	79%	0.785	69%	0.685	S	S	*	*	H	α-helix	trans	-85.9	-10.2	175.1	-83.5	-180	167	176.1	-3.8	114.4	Q1390 I1391	Q1390-R1394 WeakPolarHBondContact O-CB 3.38Å; Q1390-R1394 WeakPolarHBondContact O-CG 3.34Å; Q1390-R1394 PolarHBondContact O-N 2.73Å; I1391-R1394 PolarHBondContact O-N 2.97Å; I1391-R1394 VanDerWaalsContact O-N 3.1Å
1395	F	31.1	Very low	31.1	Very low	184 Å²	184	124.1 Å²	124.1	81%	0.807	70%	0.695	S	S	*	*	S	Bend	trans	-108.1	15.9	177.2	-87.9	-78.7	0	0	0	114.7	I1391	I1391-F1395 HydrophobicContact CG2-CD2 4.48Å; I1391-F1395 PolarHBondContact O-N 2.61Å
1396	S	27	Very low	30.6	Very low	103 Å²	103	126.5 Å²	126.5	72%	0.72	71%	0.712	S	S	*	*			trans	-141.2	69.9	180	-160.9	0	0	0	0	112.4
1397	S	24.2	Very low	30.1	Very low	110 Å²	110	129 Å²	129	77%	0.769	73%	0.728	S	S	*	*			trans	-145.1	64.7	178.8	63.5	0	0	0	0	112.4
1398	A	30.1	Very low	29.4	Very low	97 Å²	97	129.8 Å²	129.8	80%	0.802	75%	0.747	S	S	*	*	S	Bend	trans	-147.1	127.3	171.4	0	0	0	0	0	111.7
1399	A	30.3	Very low	29	Very low	104 Å²	104	131.3 Å²	131.3	86%	0.86	76%	0.759	S	S	*	*			trans	64.7	138.4	175.8	0	0	0	0	0	118.3
1400	P	30.1	Very low	28.5	Very low	119 Å²	119	131.9 Å²	131.9	77%	0.773	77%	0.772	S	S	*	*			trans	-112.7	155.9	-173.9	41	-33.5	0	0	0	116.4
1401	V	25.6	Very low	28	Very low	141 Å²	141	132.7 Å²	132.7	86%	0.855	78%	0.778	S	S	*	*			trans	27.4	113.4	142.3	-170.6	0	0	0	0	119.5
1402	A	30.5	Very low	27.5	Very low	106 Å²	106	131.9 Å²	131.9	88%	0.876	78%	0.782	S	S	*	*			trans	-142.7	152.2	141.4	0	0	0	0	0	109.1
1403	S	26.2	Very low	27.1	Very low	122 Å²	122	129.6 Å²	129.6	85%	0.853	77%	0.772	S	S	*	*			trans	-127	149.9	-168.8	55.5	0	0	0	0	113.3
1404	G	25.4	Very low	26.8	Very low	68 Å²	68	122.9 Å²	122.9	70%	0.701	76%	0.755	S	S	*	*			trans	155.2	138.6	162.6	0	0	0	0	0	117.6
1405	V	27.6	Very low	26.5	Very low	132 Å²	132	118.3 Å²	118.3	80%	0.8	75%	0.746	S	S	*	*			trans	68.6	123.9	157.1	-166.9	0	0	0	0	118.3
1406	P	25.2	Very low	26.3	Very low	125 Å²	125	111.7 Å²	111.7	81%	0.812	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-89.9	133.5	177.1	34.7	-32.6	0	0	0	113.2
1407	F	26	Very low	26.2	Very low	203 Å²	203	109.4 Å²	109.4	89%	0.89	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-92.6	131.2	167.8	-100.6	-92.7	0	0	0	112
1408	A	22.1	Very low	26.4	Very low	92 Å²	92	106.9 Å²	106.9	76%	0.76	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-80	132.2	178.4	0	0	0	0	0	111.7
1409	P	27.1	Very low	26.1	Very low	110 Å²	110	104.5 Å²	104.5	71%	0.714	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-78.5	139.2	174.5	31.2	-33.5	0	0	0	111.4
1410	P	25.3	Very low	26	Very low	123 Å²	123	100.6 Å²	100.6	80%	0.799	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-68.3	138.5	-178.3	27.2	-34.4	0	0	0	112.4	C1412	P1410-C1412 PolarHBondContact O-N 3.06Å
1411	I	23.7	Very low	25.8	Very low	137 Å²	137	97.8 Å²	97.8	70%	0.703	61%	0.606	S	S	*	*			trans	-84.7	102.4	-177.5	-58.3	175	0	0	0	110.1	R1413	I1411-R1413 HydrophobicContact CG2-CG 4.31Å
1412	C	24.3	Very low	25.8	Very low	92 Å²	92	100.5 Å²	100.5	62%	0.622	60%	0.601	S	S	*	*			trans	-120.7	123.4	161.6	-70.3	0	0	0	0	110	P1410	P1410-C1412 PolarHBondContact O-N 3.06Å
1413	R	25	Very low	25.4	Very low	145 Å²	145	98.2 Å²	98.2	55%	0.547	59%	0.588	S	S	.	*			trans	-114.2	117	-178.3	-72.1	175.5	168.2	161.3	-3.7	109.9	S461 K462 I1411	S461-R1413 PolarHBondContact OG-NH2 3.46Å; K462-R1413 PolarHBondContact O-NH1 2.6Å; I1411-R1413 HydrophobicContact CG2-CG 4.31Å
1414	S	25	Very low	25.4	Very low	59 Å²	59	96 Å²	96	41%	0.413	57%	0.572	S	S	.	*			trans	-131.5	132.3	164.9	67.4	0	0	0	0	110.5	I1416	S1414-I1416 PolarHBondContact O-N 2.91Å; S1414-I1416 VanDerWaalsContact O-N 3.16Å
1415	L	24.8	Very low	25.3	Very low	113 Å²	113	103.1 Å²	103.1	59%	0.592	58%	0.578	S	S	*	*			trans	-90.9	68.5	-172.7	-75.6	169.2	0	0	0	112.6	S1417	L1415-S1417 PolarHBondContact O-N 2.93Å
1416	I	27.1	Very low	25.3	Very low	44 Å²	44	103.3 Å²	103.3	23%	0.226	57%	0.574	C	S	.	*			trans	-49.1	125.1	-178.6	-63.3	172.7	0	0	0	112.4	Q597 K600 S1414 T1418	Q597-I1416 HydrophobicContact CG-CD1 4.05Å; K600-I1416 HydrophobicContact CD-CG1 4.48Å; S1414-I1416 PolarHBondContact O-N 2.91Å; S1414-I1416 VanDerWaalsContact O-N 3.16Å; I1416-T1418 WeakPolarHBondContact CG2-OG1 3.19Å; I1416-T1418 PolarHBondContact O-N 3.43Å; I1416-T1418 VanDerWaalsContact O-N 3.08Å
1417	S	24.7	Very low	25.2	Very low	56 Å²	56	104.1 Å²	104.1	39%	0.392	57%	0.572	S	S	.	*	S	Bend	trans	-84.3	52.3	174.2	-132	0	0	0	0	112.3	K364 D706 L1415	K364-S1417 PolarHBondContact NZ-OG 3.24Å; D706-S1417 WeakPolarHBondContact OD1-CB 3.38Å; D706-S1417 PolarHBondContact OD1-OG 2.85Å; L1415-S1417 PolarHBondContact O-N 2.93Å
1418	T	28.3	Very low	25.1	Very low	56 Å²	56	102.2 Å²	102.2	34%	0.344	57%	0.571	S	S	.	*			trans	-126.5	81.6	176.2	-42.7	0	0	0	0	108	I1416 V1420	I1416-T1418 WeakPolarHBondContact CG2-OG1 3.19Å; I1416-T1418 PolarHBondContact O-N 3.43Å; I1416-T1418 VanDerWaalsContact O-N 3.08Å; T1418-V1420 VanDerWaalsContact C-N 3.29Å; T1418-V1420 PolarHBondContact O-N 2.81Å
1419	A	23.9	Very low	25.3	Very low	47 Å²	47	106.5 Å²	106.5	39%	0.388	58%	0.575	S	S	.	*			trans	-92.8	47.3	-169.6	0	0	0	0	0	113.1	K362	K362-A1419 HydrophobicContact CD-CB 4.15Å; K362-A1419 PolarHBondContact NZ-O 3.4Å
1420	V	28	Very low	25.1	Very low	22 Å²	22	106.6 Å²	106.6	13%	0.133	59%	0.586	C	S	.	*			trans	-88	140.9	167	178.3	0	0	0	0	109.4	T1418	T1418-V1420 VanDerWaalsContact C-N 3.29Å; T1418-V1420 PolarHBondContact O-N 2.81Å
1421	I	25.9	Very low	25	Very low	61 Å²	61	105.4 Å²	105.4	31%	0.313	58%	0.58	S	S	.	*			trans	12.2	123.6	169	-63.6	166.7	0	0	0	119.2	D547 D587 G1423	D547-I1421 HydrophobicContact CB-CD1 3.59Å; D587-I1421 HydrophobicContact CB-CD1 3.88Å; D587-I1421 WeakPolarHBondContact OD1-CD1 3.45Å; I1421-G1423 VanDerWaalsContact CG2-N 3.34Å
1422	R	24.7	Very low	25.2	Very low	198 Å²	198	103.5 Å²	103.5	75%	0.747	58%	0.579	S	S	*	*			trans	-119.5	81.2	149.2	-161.5	-171.8	-155	-147.2	8.1	109	K390	K390-R1422 PolarHBondContact NZ-O 2.85Å
1423	G	23.9	Very low	25.3	Very low	58 Å²	58	104.9 Å²	104.9	60%	0.598	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-54.9	138.8	156	0	0	0	0	0	108.2	I1421	I1421-G1423 VanDerWaalsContact CG2-N 3.34Å
1424	S	26.1	Very low	25.4	Very low	75 Å²	75	103.3 Å²	103.3	52%	0.524	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-94.4	151	162.7	-160.5	0	0	0	0	106.7	D1426	S1424-D1426 WeakPolarHBondContact CB-OD2 3.49Å; S1424-D1426 PolarHBondContact O-N 3.47Å
1425	R	23.1	Very low	25.7	Very low	218 Å²	218	103.8 Å²	103.8	82%	0.823	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-67	123.5	151.6	-82.1	175	159.1	153.9	-9	106.5
1426	D	26.7	Very low	26	Very low	135 Å²	135	103 Å²	103	72%	0.722	59%	0.594	S	S	*	*			trans	-143.1	100.9	161.1	-67.9	-62.9	0	0	0	103.7	S1424	S1424-D1426 WeakPolarHBondContact CB-OD2 3.49Å; S1424-D1426 PolarHBondContact O-N 3.47Å
1427	D	24.4	Very low	26.4	Very low	143 Å²	143	106.4 Å²	106.4	77%	0.765	61%	0.607	S	S	*	*			trans	-70.4	151.9	-177.8	-61.3	-71.7	0	0	0	110.5
1428	N	23.7	Very low	26.8	Very low	162 Å²	162	109.5 Å²	109.5	87%	0.866	61%	0.614	S	S	*	*	S	Bend	trans	63	59.7	-178.4	-63.6	-30.1	0	0	0	117.2
1429	Q	25	Very low	27	Very low	182 Å²	182	115 Å²	115	85%	0.85	63%	0.628	S	S	*	*			trans	-152.6	106.7	147.3	-126.9	163.6	91.4	0	0	113.9	S1431	Q1429-S1431 VanDerWaalsContact C-N 3.3Å; Q1429-S1431 PolarHBondContact O-N 2.91Å
1430	A	22.8	Very low	27.5	Very low	113 Å²	113	118.3 Å²	118.3	93%	0.934	64%	0.639	S	S	*	*			trans	-77.1	75.8	175.6	0	0	0	0	0	111.3	S1432	A1430-S1432 PolarHBondContact O-N 2.83Å
1431	S	24.9	Very low	27.7	Very low	97 Å²	97	120.5 Å²	120.5	68%	0.678	65%	0.652	S	S	*	*			trans	-80.5	99	177.6	170.1	0	0	0	0	111.3	Q1429 S1433	Q1429-S1431 VanDerWaalsContact C-N 3.3Å; Q1429-S1431 PolarHBondContact O-N 2.91Å; S1431-S1433 PolarHBondContact O-N 3.45Å
1432	S	26.1	Very low	27.9	Very low	98 Å²	98	123 Å²	123	69%	0.685	66%	0.663	S	S	*	*			trans	-59.1	122.2	172.2	48.1	0	0	0	0	111.8	A1430 V1434	A1430-S1432 PolarHBondContact O-N 2.83Å; S1432-V1434 PolarHBondContact O-N 3.3Å
1433	S	26.3	Very low	28.1	Very low	120 Å²	120	120.2 Å²	120.2	84%	0.839	66%	0.662	S	S	*	*			trans	-83.6	48.7	176.9	50.7	0	0	0	0	112.4	S1431	S1431-S1433 PolarHBondContact O-N 3.45Å
1434	V	28.8	Very low	28.7	Very low	112 Å²	112	124.2 Å²	124.2	68%	0.679	67%	0.669	S	S	*	*			trans	-100.1	126.9	175.4	-178.7	0	0	0	0	108.9	S1432 D1436	S1432-V1434 PolarHBondContact O-N 3.3Å; V1434-D1436 PolarHBondContact O-N 2.96Å
1435	P	30.7	Very low	28.7	Very low	70 Å²	70	125.4 Å²	125.4	46%	0.455	68%	0.677	S	S	.	*			trans	-66.1	127.3	169.9	-17.4	31.2	0	0	0	110.4	F1437 L1440	P1435-F1437 PolarHBondContact O-N 3Å; P1435-L1440 HydrophobicContact CB-CD1 4.24Å
1436	D	30.1	Very low	28.8	Very low	95 Å²	95	121.3 Å²	121.3	51%	0.508	68%	0.676	S	S	.	*			trans	-63.9	108.7	176.7	-174.8	-5.9	0	0	0	110.3	V1434 K1438 R1439	V1434-D1436 PolarHBondContact O-N 2.96Å; D1436-K1438 PolarHBondContact O-N 3.3Å; D1436-K1438 VanDerWaalsContact O-N 3.1Å; D1436-R1439 PolarHBondContact O-N 2.89Å; D1436-R1439 VanDerWaalsContact O-N 3.16Å
1437	F	35.5	Very low	28.8	Very low	116 Å²	116	118.2 Å²	118.2	51%	0.509	67%	0.669	S	S	.	*	G	3₁₀ helix	trans	-60.8	-29.2	-161.2	-147.2	-84.4	0	0	0	113	P1435 R1439	P1435-F1437 PolarHBondContact O-N 3Å; F1437-R1439 PolarHBondContact O-N 2.8Å
1438	K	34.4	Very low	28.7	Very low	122 Å²	122	117 Å²	117	53%	0.53	67%	0.669	S	S	.	*	G	3₁₀ helix	trans	-65.9	-31.6	-179.2	-72.7	-174.3	176	-177.2	0	113.5	I1368 D1436 T1441	I1368-K1438 PolarHBondContact O-NZ 3.19Å; D1436-K1438 PolarHBondContact O-N 3.3Å; D1436-K1438 VanDerWaalsContact O-N 3.1Å; K1438-T1441 PolarHBondContact O-OG1 3.14Å
1439	R	31.9	Very low	28.7	Very low	172 Å²	172	121.3 Å²	121.3	65%	0.649	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-83.2	-11.5	-172.7	-74.9	-171.4	172.9	-177.8	-0.9	115	D1436 F1437	D1436-R1439 PolarHBondContact O-N 2.89Å; D1436-R1439 VanDerWaalsContact O-N 3.16Å; F1437-R1439 PolarHBondContact O-N 2.8Å
1440	L	33.9	Very low	28.7	Very low	115 Å²	115	118.7 Å²	118.7	60%	0.602	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-85.2	-12	173.8	-72.4	167.8	0	0	0	113.2	P1435	P1435-L1440 HydrophobicContact CB-CD1 4.24Å
1441	T	33.9	Very low	28.8	Very low	69 Å²	69	120.8 Å²	120.8	42%	0.423	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.5	-13.8	-176.1	42.3	0	0	0	0	115.3	K1438	K1438-T1441 PolarHBondContact O-OG1 3.14Å
1442	E	29	Very low	28.7	Very low	114 Å²	114	122.4 Å²	122.4	53%	0.533	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.2	-33.8	-173.1	-63.8	-176.9	147.9	0	0	112.7	I1444 S1445	E1442-I1444 PolarHBondContact O-N 3.41Å; E1442-S1445 WeakPolarHBondContact O-CB 3.35Å; E1442-S1445 PolarHBondContact O-N 3.37Å; E1442-S1445 VanDerWaalsContact O-N 3.13Å; E1442-S1445 PolarHBondContact O-OG 3.14Å
1443	D	29.9	Very low	28.7	Very low	138 Å²	138	124.1 Å²	124.1	74%	0.738	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-0.5	180	-75.6	-12.1	0	0	0	115.1
1444	I	34.9	Very low	28.6	Very low	143 Å²	143	121.1 Å²	121.1	73%	0.733	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-5.1	174.9	-57.3	179	0	0	0	111.4	E1442	E1442-I1444 PolarHBondContact O-N 3.41Å
1445	S	26.6	Very low	28.5	Very low	100 Å²	100	121.7 Å²	121.7	70%	0.699	68%	0.677	S	S	*	*	S	Bend	trans	-80	-18.8	-178.3	60.4	0	0	0	0	115.5	E1442	E1442-S1445 WeakPolarHBondContact O-CB 3.35Å; E1442-S1445 PolarHBondContact O-N 3.37Å; E1442-S1445 VanDerWaalsContact O-N 3.13Å; E1442-S1445 PolarHBondContact O-OG 3.14Å
1446	V	25.4	Very low	28.2	Very low	131 Å²	131	124.5 Å²	124.5	79%	0.794	70%	0.697	S	S	*	*			trans	-134.2	66.3	-178.1	-166.3	0	0	0	0	111.7
1447	A	26.1	Very low	27.9	Very low	71 Å²	71	128 Å²	128	59%	0.587	71%	0.711	S	S	*	*			trans	-95.4	134.7	163	0	0	0	0	0	110.1
1448	P	23.4	Very low	27.4	Very low	117 Å²	117	130.7 Å²	130.7	76%	0.76	73%	0.725	S	S	*	*			trans	-63.8	142.7	171.6	28.7	-34.2	0	0	0	109.6	T1450	P1448-T1450 PolarHBondContact O-N 3.19Å; P1448-T1450 PolarHBondContact O-OG1 2.83Å
1449	R	23.3	Very low	26.9	Very low	252 Å²	252	134.5 Å²	134.5	95%	0.951	74%	0.742	S	S	*	*			trans	-52.7	90.9	-169.9	-69.3	-179.5	176.6	174.9	-1.2	113.8	L1451	R1449-L1451 PolarHBondContact O-N 3.1Å
1450	T	25.3	Very low	26.5	Very low	128 Å²	128	134.9 Å²	134.9	79%	0.785	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-72.4	123.6	167	-9.3	0	0	0	0	108.9	P1448 T1452	P1448-T1450 PolarHBondContact O-N 3.19Å; P1448-T1450 PolarHBondContact O-OG1 2.83Å; T1450-T1452 PolarHBondContact O-N 3.48Å
1451	L	23.6	Very low	26.1	Very low	157 Å²	157	134 Å²	134	82%	0.822	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-63.7	125.5	177.6	-81.1	160.8	0	0	0	110.4	R1449 P1453	R1449-L1451 PolarHBondContact O-N 3.1Å; L1451-P1453 WeakPolarHBondContact O-CD 3.34Å
1452	T	24.4	Very low	25.6	Very low	131 Å²	131	137.3 Å²	137.3	80%	0.804	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-71.1	120.2	173.2	34.2	0	0	0	0	110.7	T1450 G1454	T1450-T1452 PolarHBondContact O-N 3.48Å; T1452-G1454 PolarHBondContact O-N 3.33Å; T1452-G1454 VanDerWaalsContact O-N 3.1Å
1453	P	25.5	Very low	25.5	Very low	134 Å²	134	136.5 Å²	136.5	87%	0.87	79%	0.785	S	S	*	*			trans	-75.6	98	167.2	-6.5	25	0	0	0	108.1	L1451	L1451-P1453 WeakPolarHBondContact O-CD 3.34Å
1454	G	24	Very low	25.3	Very low	57 Å²	57	133.8 Å²	133.8	59%	0.588	78%	0.782	S	S	*	*			trans	-76	161.5	171.4	0	0	0	0	0	112.2	T1452	T1452-G1454 PolarHBondContact O-N 3.33Å; T1452-G1454 VanDerWaalsContact O-N 3.1Å
1455	S	25.9	Very low	25.4	Very low	124 Å²	124	131.6 Å²	131.6	87%	0.867	78%	0.777	S	S	*	*			trans	60	115.7	174.8	57	0	0	0	0	117.4	Q1457	S1455-Q1457 PolarHBondContact O-N 3.08Å
1456	S	25	Very low	26.2	Very low	128 Å²	128	132.5 Å²	132.5	90%	0.895	78%	0.782	S	S	*	*			trans	-87.8	87.6	169.1	-52.2	0	0	0	0	110.6
1457	Q	23.8	Very low	27.2	Very low	170 Å²	170	128.5 Å²	128.5	79%	0.794	76%	0.757	S	S	*	*			trans	-157.3	130	161.1	-123.8	164.5	-13.5	0	0	113.1	S1455	S1455-Q1457 PolarHBondContact O-N 3.08Å
1458	E	25.4	Very low	28.6	Very low	172 Å²	172	126.4 Å²	126.4	80%	0.804	74%	0.738	S	S	*	*			trans	33.6	104	155.6	-60.7	-176.3	139.1	0	0	120.2
1459	F	23.7	Very low	30.9	Very low	201 Å²	201	127.3 Å²	127.3	88%	0.882	73%	0.732	S	S	*	*			trans	-142.5	115.9	136.3	-118.2	-83.3	0	0	0	109.7	V1461	F1459-V1461 HydrophobicContact CD1-CG2 4.43Å; F1459-V1461 PolarHBondContact O-N 3.41Å
1460	L	23.2	Very low	33.8	Very low	180 Å²	180	117 Å²	117	94%	0.942	70%	0.697	S	S	*	*			trans	-82.1	106.4	178.6	-148.8	83.2	0	0	0	109.4
1461	V	25.2	Very low	36.6	Very low	96 Å²	96	111.9 Å²	111.9	58%	0.582	66%	0.663	S	S	*	*			trans	-134.1	127.5	173.3	-177.4	0	0	0	0	108.1	F1459 S1463	F1459-V1461 HydrophobicContact CD1-CG2 4.43Å; F1459-V1461 PolarHBondContact O-N 3.41Å; V1461-S1463 VanDerWaalsContact C-N 3.29Å; V1461-S1463 PolarHBondContact O-N 2.83Å
1462	P	25.2	Very low	39.4	Very low	139 Å²	139	107.9 Å²	107.9	90%	0.903	65%	0.647	S	S	*	*	S	Bend	trans	-79.3	71.6	-173.5	32.7	-36.4	0	0	0	111.9
1463	S	25.1	Very low	42.4	Very low	98 Å²	98	103.7 Å²	103.7	69%	0.685	62%	0.619	S	S	*	*			trans	-155.8	73.8	179.5	64.9	0	0	0	0	114.7	V1461	V1461-S1463 VanDerWaalsContact C-N 3.29Å; V1461-S1463 PolarHBondContact O-N 2.83Å
1464	A	26.7	Very low	45.4	Very low	81 Å²	81	97.7 Å²	97.7	67%	0.669	58%	0.579	S	S	*	*	S	Bend	trans	-150.4	131.6	148.4	0	0	0	0	0	107.7	C1466	A1464-C1466 PolarHBondContact O-N 3.42Å; A1464-C1466 VanDerWaalsContact O-N 3.15Å
1465	P	37.1	Very low	48.6	Very low	97 Å²	97	95.5 Å²	95.5	63%	0.63	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-64.2	119.5	176.8	25.9	-31.6	0	0	0	108.6	Q716 V1467	Q716-P1465 WeakPolarHBondContact O-CG 3.32Å; P1465-V1467 PolarHBondContact O-N 3.2Å
1466	C	42.9	Very low	51.7	Low	119 Å²	119	89.7 Å²	89.7	80%	0.804	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-57.4	131.3	-178.4	-69.6	0	0	0	0	110.1	A1464 P1468	A1464-C1466 PolarHBondContact O-N 3.42Å; A1464-C1466 VanDerWaalsContact O-N 3.15Å; C1466-P1468 VanDerWaalsContact O-CD 3.28Å; C1466-P1468 WeakPolarHBondContact O-CD 3.46Å; C1466-P1468 VanDerWaalsContact O-N 3.13Å
1467	V	45.8	Very low	54.8	Low	46 Å²	46	84.1 Å²	84.1	28%	0.279	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-54.3	117.8	170.4	173	0	0	0	0	107.7	A499 Q503 P1465 E1469	A499-V1467 HydrophobicContact CB-CG2 4.23Å; Q503-V1467 HydrophobicContact CB-CG1 4.36Å; Q503-V1467 HydrophobicContact CG-CG1 3.23Å; P1465-V1467 PolarHBondContact O-N 3.2Å; V1467-E1469 PolarHBondContact O-N 2.94Å; V1467-E1469 VanDerWaalsContact O-N 3.14Å
1468	P	55.7	Low	57.8	Low	27 Å²	27	76.9 Å²	76.9	18%	0.175	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-58.4	122.9	-173.7	-27.1	34.8	0	0	0	111	Q503 A890 C1466	Q503-P1468 PolarHBondContact NE2-O 3.38Å; A890-P1468 HydrophobicContact CB-CB 4.32Å; C1466-P1468 VanDerWaalsContact O-CD 3.28Å; C1466-P1468 WeakPolarHBondContact O-CD 3.46Å; C1466-P1468 VanDerWaalsContact O-N 3.13Å
1469	E	73.2	Confident	60.5	Low	137 Å²	137	71.6 Å²	71.6	64%	0.64	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-61.3	160.8	173.6	-67.6	-176.6	157.9	0	0	110.6	A890 F891 V1467	A890-E1469 CarbonylContact C-O 3.58Å; A890-E1469 WeakPolarHBondContact CA-O 3.41Å; F891-E1469 HydrophobicContact CD2-CB 3.89Å; F891-E1469 HydrophobicContact CE2-CB 3.59Å; F891-E1469 HydrophobicContact CE2-CG 4.44Å; F891-E1469 WeakPolarHBondContact CE2-OE2 3.46Å; F891-E1469 WeakPolarHBondContact CG-O 3.2Å; F891-E1469 HydrophobicContact CZ-CB 3.98Å; F891-E1469 PolarHBondContact N-O 3.17Å; V1467-E1469 PolarHBondContact O-N 2.94Å; V1467-E1469 VanDerWaalsContact O-N 3.14Å
1470	V	82.8	Confident	63.6	Low	34 Å²	34	62.2 Å²	62.2	21%	0.206	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-103.6	131.3	-177.7	176.4	0	0	0	0	108.9	L507 L859 G889	L507-V1470 HydrophobicContact CD1-CB 4.37Å; L507-V1470 HydrophobicContact CD1-CG1 4Å; L859-V1470 HydrophobicContact CB-CG2 4.45Å; L859-V1470 HydrophobicContact CD1-CG2 4.1Å; G889-V1470 WeakPolarHBondContact O-CA 3.28Å
1471	Y	84.8	Confident	66.7	Low	22 Å²	22	54.9 Å²	54.9	9%	0.086	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-53.1	136.9	174.7	-76.3	-70	0	0	0	110.8	S887 P888 G889 F891 L897	S887-Y1471 WeakPolarHBondContact CB-O 3.43Å; S887-Y1471 PolarHBondContact OG-O 3Å; P888-Y1471 HydrophobicContact CG-CD2 3.69Å; P888-Y1471 HydrophobicContact CG-CE2 4.29Å; P888-Y1471 HydrophobicContact CG-CG 4.07Å; G889-Y1471 VanDerWaalsContact O-CD2 3.28Å; G889-Y1471 WeakPolarHBondContact O-CD2 3.4Å; G889-Y1471 PolarHBondContact O-N 3.48Å; F891-Y1471 AromaticContact CD1-CD1 3.64Å; F891-Y1471 HydrophobicContact CD1-CD1 3.64Å; F891-Y1471 AromaticContact CD1-CD2 3.81Å; F891-Y1471 HydrophobicContact CD1-CD2 3.81Å; F891-Y1471 AromaticContact CD1-CE1 3.58Å; F891-Y1471 HydrophobicContact CD1-CE1 3.58Å; F891-Y1471 AromaticContact CD1-CE2 3.82Å; F891-Y1471 HydrophobicContact CD1-CE2 3.82Å; F891-Y1471 AromaticContact CD1-CG 3.75Å; F891-Y1471 HydrophobicContact CD1-CG 3.75Å; F891-Y1471 AromaticContact CD1-CZ 3.7Å; F891-Y1471 AromaticContact CE1-CD1 3.44Å; F891-Y1471 HydrophobicContact CE1-CD1 3.44Å; F891-Y1471 VanDerWaalsContact CE1-CD1 3.44Å; F891-Y1471 HydrophobicContact CE1-CD2 4.37Å; F891-Y1471 AromaticContact CE1-CE1 3.67Å; F891-Y1471 HydrophobicContact CE1-CE1 3.67Å; F891-Y1471 AromaticContact CE1-CG 3.82Å; F891-Y1471 HydrophobicContact CE1-CG 3.82Å; L897-Y1471 HydrophobicContact CD2-CD1 4.23Å; L897-Y1471 HydrophobicContact CD2-CE1 3.67Å; L897-Y1471 HydrophobicContact CG-CE1 4.21Å
1472	P	83	Confident	69.7	Low	73 Å²	73	51.1 Å²	51.1	47%	0.474	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-60.7	159.9	176.9	28.4	-35.8	0	0	0	111	S887 E1474	S887-P1472 WeakPolarHBondContact CB-O 3.25Å; P1472-E1474 PolarHBondContact O-N 3.27Å
1473	L	87.3	Confident	72.6	Confident	43 Å²	43	47 Å²	47	23%	0.225	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-68.2	121.5	171.5	-72.7	170.2	0	0	0	109.5	I514 Q861 V863 H885	I514-L1473 HydrophobicContact CG2-CD1 4.12Å; Q861-L1473 HydrophobicContact CG-CD2 3.94Å; V863-L1473 HydrophobicContact CB-CD2 4.49Å; V863-L1473 HydrophobicContact CG2-CD1 4.11Å; V863-L1473 HydrophobicContact CG2-CD2 3.83Å; H885-L1473 HydrophobicContact CB-CB 4.2Å; H885-L1473 HydrophobicContact CB-CD2 4.2Å
1474	E	88.7	Confident	75.7	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	133.9	166.9	-58.8	-66.6	162.1	0	0	108.9	Y849 H885 F886 R904 P1472 L1476	Y849-E1474 HydrophobicContact CD1-CB 4.46Å; Y849-E1474 HydrophobicContact CE1-CB 3.88Å; Y849-E1474 HydrophobicContact CE1-CG 3.78Å; Y849-E1474 HydrophobicContact CE2-CG 4.4Å; H885-E1474 CarbonylContact C-O 3.54Å; H885-E1474 WeakPolarHBondContact CA-O 3.27Å; F886-E1474 PolarHBondContact N-O 3.09Å; F886-E1474 PolarHBondContact O-N 2.81Å; R904-E1474 IonicContact CZ-OE1 2.75Å; R904-E1474 IonicContact CZ-OE2 3.8Å; R904-E1474 IonicContact NH1-OE1 2.86Å; R904-E1474 PolarHBondContact NH1-OE1 2.95Å; R904-E1474 IonicContact NH1-OE2 2.63Å; R904-E1474 IonicContact NH2-OE1 3.71Å; R904-E1474 PolarHBondContact NH2-OE1 2.84Å; P1472-E1474 PolarHBondContact O-N 3.27Å; E1474-L1476 PolarHBondContact O-N 2.66Å
1475	T	89.5	Confident	78.8	Confident	10 Å²	10	42.9 Å²	42.9	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	114.5	177.7	-51.9	0	0	0	0	109.9	H885 N1478	H885-T1475 PolarHBondContact CE1-OG1 2.85Å; H885-T1475 WeakPolarHBondContact ND1-CA 3.49Å; H885-T1475 PolarHBondContact ND1-OG1 2.91Å; T1475-N1478 HydrophobicContact CG2-CB 3.88Å
1476	L	91.2	Very high	81.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-33.7	175.4	-58.1	-174.9	0	0	0	111.8	W843 A846 Y849 V850 L884 F886 E1474	W843-L1476 HydrophobicContact CZ3-CB 4Å; A846-L1476 HydrophobicContact CB-CB 3.98Å; A846-L1476 HydrophobicContact CB-CD2 3.91Å; A846-L1476 VanDerWaalsContact CB-O 3.24Å; A846-L1476 WeakPolarHBondContact CB-O 3.43Å; Y849-L1476 HydrophobicContact CD1-CD2 4.31Å; V850-L1476 HydrophobicContact CG2-CD1 4.5Å; V850-L1476 HydrophobicContact CG2-CD2 3.89Å; L884-L1476 HydrophobicContact CD2-CB 4.46Å; L884-L1476 HydrophobicContact CD2-CD1 4.39Å; L884-L1476 HydrophobicContact CG-CB 4.29Å; L884-L1476 HydrophobicContact CG-CD1 4.33Å; L884-L1476 WeakPolarHBondContact O-CA 3.34Å; L884-L1476 WeakPolarHBondContact O-CB 3.32Å; L884-L1476 PolarHBondContact O-N 2.72Å; F886-L1476 HydrophobicContact CB-CD1 3.61Å; F886-L1476 HydrophobicContact CB-CD2 4.1Å; F886-L1476 HydrophobicContact CB-CG 3.82Å; F886-L1476 HydrophobicContact CG-CD1 4.42Å; E1474-L1476 PolarHBondContact O-N 2.66Å
1477	H	91.1	Very high	83.6	Confident	11 Å²	11	36.9 Å²	36.9	5%	0.051	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	139.5	177.6	-158.5	-69.2	0	0	0	111.4	D840 Q842 W843 E883 L884 A1479 L1480	D840-H1477 IonicContact OD2-CD2 3.39Å; Q842-H1477 VanDerWaalsContact OE1-CA 3.31Å; W843-H1477 HydrophobicContact CE3-CB 4.04Å; W843-H1477 AromaticContact CE3-CD2 3.86Å; W843-H1477 HydrophobicContact CZ3-CB 4.1Å; E883-H1477 WeakPolarHBondContact CA-O 3.42Å; L884-H1477 HydrophobicContact CB-CB 4.34Å; L884-H1477 PolarHBondContact N-O 2.78Å; L884-H1477 PolarHBondContact O-N 3.48Å; L884-H1477 VanDerWaalsContact O-N 3.13Å; H1477-A1479 WeakPolarHBondContact CE1-CA 3.35Å; H1477-A1479 PolarHBondContact CE1-N 3.1Å; H1477-A1479 PolarHBondContact ND1-N 2.58Å; H1477-A1479 WeakPolarHBondContact NE2-CA 3.43Å; H1477-A1479 WeakPolarHBondContact NE2-CB 3.48Å; H1477-A1479 PolarHBondContact NE2-N 3Å; H1477-A1479 PolarHBondContact NE2-O 2.78Å; H1477-L1480 HydrophobicContact CB-CD1 4.3Å; H1477-L1480 VanDerWaalsContact CE1-CG 3.42Å; H1477-L1480 WeakPolarHBondContact CE1-CG 3.43Å; H1477-L1480 PolarHBondContact CE1-N 2.67Å; H1477-L1480 PolarHBondContact ND1-N 2.69Å; H1477-L1480 PolarHBondContact NE2-N 2.94Å
1478	N	87.2	Confident	85.8	Confident	18 Å²	18	34.9 Å²	34.9	10%	0.096	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	29.7	177.2	73	-8.5	0	0	0	115.5	T340 Q842 H881 E883 T1475	T340-N1478 WeakPolarHBondContact OG1-CB 3.5Å; T340-N1478 PolarHBondContact OG1-ND2 2.93Å; Q842-N1478 VanDerWaalsContact NE2-CG 3.33Å; Q842-N1478 PolarHBondContact NE2-OD1 3.19Å; Q842-N1478 PolarHBondContact OE1-OD1 2.96Å; H881-N1478 PolarHBondContact CE1-O 2.97Å; H881-N1478 PolarHBondContact NE2-O 2.96Å; E883-N1478 HydrophobicContact CG-CB 4.09Å; T1475-N1478 HydrophobicContact CG2-CB 3.88Å
1479	A	82.4	Confident	87.6	Confident	61 Å²	61	33.9 Å²	33.9	50%	0.504	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	22.7	170.6	0	0	0	0	0	114.3	H1477	H1477-A1479 WeakPolarHBondContact CE1-CA 3.35Å; H1477-A1479 PolarHBondContact CE1-N 3.1Å; H1477-A1479 PolarHBondContact ND1-N 2.58Å; H1477-A1479 WeakPolarHBondContact NE2-CA 3.43Å; H1477-A1479 WeakPolarHBondContact NE2-CB 3.48Å; H1477-A1479 PolarHBondContact NE2-N 3Å; H1477-A1479 PolarHBondContact NE2-O 2.78Å
1480	L	88.5	Confident	88.4	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	142.5	178	-80.7	166.1	0	0	0	110.1	L834 V882 H1477 Q1484	L834-L1480 HydrophobicContact CD1-CD1 4.13Å; L834-L1480 HydrophobicContact CD1-CD2 3.96Å; L834-L1480 HydrophobicContact CD2-CD1 3.93Å; L834-L1480 HydrophobicContact CG-CD1 4.14Å; L834-L1480 HydrophobicContact CG-CD2 4.22Å; V882-L1480 HydrophobicContact CB-CB 3.83Å; V882-L1480 HydrophobicContact CG1-CB 4.27Å; V882-L1480 PolarHBondContact N-O 3.22Å; V882-L1480 PolarHBondContact O-N 2.77Å; H1477-L1480 HydrophobicContact CB-CD1 4.3Å; H1477-L1480 VanDerWaalsContact CE1-CG 3.42Å; H1477-L1480 WeakPolarHBondContact CE1-CG 3.43Å; H1477-L1480 PolarHBondContact CE1-N 2.67Å; H1477-L1480 PolarHBondContact ND1-N 2.69Å; H1477-L1480 PolarHBondContact NE2-N 2.94Å; L1480-Q1484 HydrophobicContact CD2-CB 3.97Å
1481	T	88.5	Confident	88.9	Confident	27 Å²	27	32.6 Å²	32.6	17%	0.166	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	157.7	163.9	73.1	0	0	0	0	110.4	E877 S1483 Q1484 L1485	E877-T1481 HydrophobicContact CB-CG2 4.42Å; T1481-S1483 PolarHBondContact O-N 3.4Å; T1481-Q1484 PolarHBondContact O-N 3.44Å; T1481-Q1484 WeakPolarHBondContact OG1-CG 3.45Å; T1481-Q1484 PolarHBondContact OG1-N 3.21Å; T1481-Q1484 VanDerWaalsContact OG1-N 3.17Å; T1481-L1485 PolarHBondContact O-N 3.21Å
1482	L	86.8	Confident	89.1	Confident	17 Å²	17	31.6 Å²	31.6	9%	0.089	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-38.7	172.4	-178.3	57.3	0	0	0	111.6	A772 I866 F880 V882 Q1484 L1485 E1486	A772-L1482 HydrophobicContact CB-CD1 4.29Å; I866-L1482 HydrophobicContact CD1-CD1 4.16Å; F880-L1482 HydrophobicContact CB-CB 3.66Å; F880-L1482 HydrophobicContact CB-CD2 4.13Å; F880-L1482 HydrophobicContact CD1-CD2 4.45Å; F880-L1482 HydrophobicContact CD2-CD2 4.16Å; F880-L1482 HydrophobicContact CG-CB 4.42Å; F880-L1482 HydrophobicContact CG-CD2 4Å; F880-L1482 PolarHBondContact O-N 2.74Å; V882-L1482 HydrophobicContact CG2-CB 4.34Å; V882-L1482 HydrophobicContact CG2-CD1 4.49Å; L1482-Q1484 PolarHBondContact O-N 2.71Å; L1482-L1485 PolarHBondContact O-N 2.78Å; L1482-E1486 HydrophobicContact CD1-CG 4.24Å; L1482-E1486 HydrophobicContact CG-CG 4.39Å; L1482-E1486 WeakPolarHBondContact O-CG 3.26Å; L1482-E1486 PolarHBondContact O-N 2.98Å
1483	S	86.2	Confident	89.4	Confident	53 Å²	53	28.6 Å²	28.6	37%	0.371	16%	0.164	S	C	.	.	H	α-helix	trans	-55.4	-45.1	175.3	-179.1	0	0	0	0	112.6	E877 T1481 E1486 A1487	E877-S1483 WeakPolarHBondContact OE1-CB 3.13Å; E877-S1483 PolarHBondContact OE1-OG 2.84Å; T1481-S1483 PolarHBondContact O-N 3.4Å; S1483-E1486 PolarHBondContact O-N 2.84Å; S1483-A1487 WeakPolarHBondContact O-CB 3.43Å; S1483-A1487 PolarHBondContact O-N 3.16Å
1484	Q	90.7	Very high	89.2	Confident	87 Å²	87	30.7 Å²	30.7	41%	0.407	18%	0.179	S	C	.	.	H	α-helix	trans	-63.5	-46.2	176.5	-72.6	167.5	-27	0	0	112.5	L1480 T1481 L1482 E1486 A1487 F1488	L1480-Q1484 HydrophobicContact CD2-CB 3.97Å; T1481-Q1484 PolarHBondContact O-N 3.44Å; T1481-Q1484 WeakPolarHBondContact OG1-CG 3.45Å; T1481-Q1484 PolarHBondContact OG1-N 3.21Å; T1481-Q1484 VanDerWaalsContact OG1-N 3.17Å; L1482-Q1484 PolarHBondContact O-N 2.71Å; Q1484-E1486 VanDerWaalsContact C-N 3.32Å; Q1484-E1486 PolarHBondContact O-N 2.72Å; Q1484-A1487 PolarHBondContact O-N 3.04Å; Q1484-F1488 WeakPolarHBondContact O-CB 3.48Å; Q1484-F1488 PolarHBondContact O-N 2.97Å
1485	L	91.1	Very high	88.7	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-42.5	176.5	177	65.2	0	0	0	111.3	I864 V882 T1481 L1482 F1488 L1489	I864-L1485 HydrophobicContact CG2-CD2 3.98Å; V882-L1485 HydrophobicContact CG1-CD2 4.09Å; T1481-L1485 PolarHBondContact O-N 3.21Å; L1482-L1485 PolarHBondContact O-N 2.78Å; L1485-F1488 HydrophobicContact CD1-CD1 4.47Å; L1485-L1489 HydrophobicContact CD1-CD1 3.98Å; L1485-L1489 HydrophobicContact CD1-CG 4.19Å; L1485-L1489 HydrophobicContact CG-CD1 3.99Å; L1485-L1489 WeakPolarHBondContact O-CB 3.44Å; L1485-L1489 WeakPolarHBondContact O-CG 3.46Å; L1485-L1489 PolarHBondContact O-N 3.43Å
1486	E	90	Very high	88.1	Confident	35 Å²	35	44.8 Å²	44.8	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-66.3	-47.3	178.2	-72.8	-159.7	-173.2	0	0	112.6	L769 R773 L1482 S1483 Q1484 F1488 L1489 V1490	L769-E1486 HydrophobicContact CD1-CB 4.03Å; L769-E1486 HydrophobicContact CD1-CG 3.75Å; R773-E1486 WeakPolarHBondContact CG-OE1 3.47Å; R773-E1486 IonicContact CZ-OE2 3.1Å; R773-E1486 VanDerWaalsContact NE-CD 3.32Å; R773-E1486 IonicContact NE-OE1 3Å; R773-E1486 IonicContact NE-OE2 3.41Å; R773-E1486 PolarHBondContact NE-OE2 3.34Å; R773-E1486 IonicContact NH2-OE2 2.98Å; R773-E1486 PolarHBondContact NH2-OE2 3.14Å; L1482-E1486 HydrophobicContact CD1-CG 4.24Å; L1482-E1486 HydrophobicContact CG-CG 4.39Å; L1482-E1486 WeakPolarHBondContact O-CG 3.26Å; L1482-E1486 PolarHBondContact O-N 2.98Å; S1483-E1486 PolarHBondContact O-N 2.84Å; Q1484-E1486 VanDerWaalsContact C-N 3.32Å; Q1484-E1486 PolarHBondContact O-N 2.72Å; E1486-F1488 VanDerWaalsContact C-N 3.27Å; E1486-F1488 PolarHBondContact O-N 3.3Å; E1486-L1489 PolarHBondContact O-N 3.14Å; E1486-V1490 WeakPolarHBondContact O-CB 2.97Å; E1486-V1490 VanDerWaalsContact O-CG2 3.27Å; E1486-V1490 WeakPolarHBondContact O-CG2 2.23Å; E1486-V1490 PolarHBondContact O-N 2.67Å
1487	A	90.7	Very high	87.2	Confident	56 Å²	56	47.9 Å²	47.9	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-57.7	-42.6	177.8	0	0	0	0	0	111.4	S1483 Q1484 R1491	S1483-A1487 WeakPolarHBondContact O-CB 3.43Å; S1483-A1487 PolarHBondContact O-N 3.16Å; Q1484-A1487 PolarHBondContact O-N 3.04Å; A1487-R1491 WeakPolarHBondContact O-CB 2.23Å; A1487-R1491 PolarHBondContact O-N 2.91Å
1488	F	93.6	Very high	86.2	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-51.4	173.3	166.2	-98.5	0	0	0	112.6	C828 L829 G832 L834 Q1484 L1485 E1486 R1491 L1492	C828-F1488 WeakPolarHBondContact O-CE2 3.33Å; C828-F1488 WeakPolarHBondContact O-CZ 3.12Å; L829-F1488 HydrophobicContact CD2-CE1 3.84Å; L829-F1488 HydrophobicContact CD2-CZ 3.86Å; L829-F1488 HydrophobicContact CG-CZ 4.49Å; G832-F1488 WeakPolarHBondContact O-CD2 3.15Å; G832-F1488 WeakPolarHBondContact O-CE2 3.48Å; L834-F1488 HydrophobicContact CB-CD2 3.66Å; L834-F1488 HydrophobicContact CB-CE2 3.73Å; L834-F1488 HydrophobicContact CB-CG 4.13Å; L834-F1488 HydrophobicContact CB-CZ 4.27Å; L834-F1488 HydrophobicContact CD1-CB 3.75Å; L834-F1488 HydrophobicContact CD1-CD1 3.95Å; L834-F1488 HydrophobicContact CD1-CD2 4.13Å; L834-F1488 HydrophobicContact CD1-CG 3.7Å; L834-F1488 HydrophobicContact CG-CD2 4.45Å; L834-F1488 HydrophobicContact CG-CG 4.44Å; Q1484-F1488 WeakPolarHBondContact O-CB 3.48Å; Q1484-F1488 PolarHBondContact O-N 2.97Å; L1485-F1488 HydrophobicContact CD1-CD1 4.47Å; E1486-F1488 VanDerWaalsContact C-N 3.27Å; E1486-F1488 PolarHBondContact O-N 3.3Å; F1488-R1491 PolarHBondContact O-N 3.08Å; F1488-L1492 HydrophobicContact CD1-CD1 4.4Å; F1488-L1492 HydrophobicContact CD2-CD1 4.04Å; F1488-L1492 HydrophobicContact CD2-CG 4.43Å; F1488-L1492 HydrophobicContact CE1-CD1 3.82Å; F1488-L1492 HydrophobicContact CE2-CD1 3.42Å; F1488-L1492 VanDerWaalsContact CE2-CD1 3.42Å; F1488-L1492 HydrophobicContact CE2-CG 4.21Å; F1488-L1492 HydrophobicContact CG-CD1 4.49Å; F1488-L1492 HydrophobicContact CZ-CD1 3.29Å; F1488-L1492 HydrophobicContact CZ-CG 4.45Å; F1488-L1492 WeakPolarHBondContact O-CB 3.37Å; F1488-L1492 WeakPolarHBondContact O-CG 3.29Å; F1488-L1492 PolarHBondContact O-N 3.19Å
1489	L	92.7	Very high	85.4	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-36	-178.8	-70.9	174.6	0	0	0	112.9	M765 I768 L769 L1485 E1486 T1493	M765-L1489 HydrophobicContact CB-CD2 4.08Å; M765-L1489 HydrophobicContact CG-CD2 4.21Å; I768-L1489 HydrophobicContact CG2-CD1 3.87Å; L769-L1489 HydrophobicContact CB-CB 4.06Å; L769-L1489 HydrophobicContact CB-CD1 3.99Å; L769-L1489 HydrophobicContact CD1-CB 4.2Å; L769-L1489 HydrophobicContact CD1-CD1 4.48Å; L769-L1489 HydrophobicContact CD2-CB 4.41Å; L769-L1489 HydrophobicContact CG-CB 4.46Å; L1485-L1489 HydrophobicContact CD1-CD1 3.98Å; L1485-L1489 HydrophobicContact CD1-CG 4.19Å; L1485-L1489 HydrophobicContact CG-CD1 3.99Å; L1485-L1489 WeakPolarHBondContact O-CB 3.44Å; L1485-L1489 WeakPolarHBondContact O-CG 3.46Å; L1485-L1489 PolarHBondContact O-N 3.43Å; E1486-L1489 PolarHBondContact O-N 3.14Å; L1489-T1493 WeakPolarHBondContact O-CB 3.17Å; L1489-T1493 VanDerWaalsContact O-CG2 3.24Å; L1489-T1493 WeakPolarHBondContact O-CG2 3.41Å; L1489-T1493 PolarHBondContact O-N 3.36Å; L1489-T1493 PolarHBondContact O-OG1 2.79Å
1490	V	90.9	Very high	84.7	Confident	46 Å²	46	54 Å²	54	28%	0.279	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-55.5	171.7	169.9	0	0	0	0	109.1	L769 E1486 L1492 T1493 T1494	L769-V1490 HydrophobicContact CD1-CG2 4.38Å; L769-V1490 HydrophobicContact CD2-CG2 3.62Å; E1486-V1490 WeakPolarHBondContact O-CB 2.97Å; E1486-V1490 VanDerWaalsContact O-CG2 3.27Å; E1486-V1490 WeakPolarHBondContact O-CG2 2.23Å; E1486-V1490 PolarHBondContact O-N 2.67Å; V1490-L1492 VanDerWaalsContact C-N 3.3Å; V1490-L1492 PolarHBondContact O-N 3.4Å; V1490-T1493 PolarHBondContact O-N 2.62Å; V1490-T1493 PolarHBondContact O-OG1 2.85Å; V1490-T1494 HydrophobicContact CG1-CG2 4.15Å; V1490-T1494 PolarHBondContact O-N 3.46Å; V1490-T1494 PolarHBondContact O-OG1 3.37Å
1491	R	92.3	Very high	83.6	Confident	99 Å²	99	54.9 Å²	54.9	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-52.5	-47.2	-178.9	-176.7	173.2	66.8	-147.3	1.1	112.1	G832 E833 A1487 F1488 T1493 H1495	G832-R1491 PolarHBondContact O-NH2 2.88Å; E833-R1491 VanDerWaalsContact C-NH2 3.33Å; E833-R1491 PolarHBondContact O-NH2 2.94Å; A1487-R1491 WeakPolarHBondContact O-CB 2.23Å; A1487-R1491 PolarHBondContact O-N 2.91Å; F1488-R1491 PolarHBondContact O-N 3.08Å; R1491-T1493 VanDerWaalsContact C-N 3.29Å; R1491-T1493 PolarHBondContact O-N 2.76Å; R1491-H1495 PolarHBondContact O-N 2.8Å; R1491-H1495 VanDerWaalsContact O-N 3.14Å
1492	L	89.4	Confident	81.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-71.5	-13.5	178.9	-71.4	-174.7	0	0	0	115.3	Q758 M765 C828 F1488 V1490 F1497	Q758-L1492 PolarHBondContact NE2-O 2.99Å; M765-L1492 HydrophobicContact CE-CB 4.13Å; M765-L1492 HydrophobicContact SD-CB 4.15Å; M765-L1492 HydrophobicContact SD-CD1 3.94Å; C828-L1492 HydrophobicContact CB-CD1 3.87Å; F1488-L1492 HydrophobicContact CD1-CD1 4.4Å; F1488-L1492 HydrophobicContact CD2-CD1 4.04Å; F1488-L1492 HydrophobicContact CD2-CG 4.43Å; F1488-L1492 HydrophobicContact CE1-CD1 3.82Å; F1488-L1492 HydrophobicContact CE2-CD1 3.42Å; F1488-L1492 VanDerWaalsContact CE2-CD1 3.42Å; F1488-L1492 HydrophobicContact CE2-CG 4.21Å; F1488-L1492 HydrophobicContact CG-CD1 4.49Å; F1488-L1492 HydrophobicContact CZ-CD1 3.29Å; F1488-L1492 HydrophobicContact CZ-CG 4.45Å; F1488-L1492 WeakPolarHBondContact O-CB 3.37Å; F1488-L1492 WeakPolarHBondContact O-CG 3.29Å; F1488-L1492 PolarHBondContact O-N 3.19Å; V1490-L1492 VanDerWaalsContact C-N 3.3Å; V1490-L1492 PolarHBondContact O-N 3.4Å; L1492-F1497 HydrophobicContact CD2-CE2 3.57Å; L1492-F1497 HydrophobicContact CD2-CZ 3.6Å
1493	T	88.2	Confident	79.4	Confident	11 Å²	11	62.8 Å²	62.8	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-113.9	-9.1	-177.5	60.7	0	0	0	0	114.6	T762 M765 R766 L1489 V1490 R1491	T762-T1493 HydrophobicContact CG2-CG2 4.43Å; M765-T1493 HydrophobicContact CB-CG2 3.51Å; M765-T1493 HydrophobicContact CE-CG2 4.21Å; R766-T1493 HydrophobicContact CG-CG2 3.7Å; R766-T1493 PolarHBondContact NH2-O 3.13Å; L1489-T1493 WeakPolarHBondContact O-CB 3.17Å; L1489-T1493 VanDerWaalsContact O-CG2 3.24Å; L1489-T1493 WeakPolarHBondContact O-CG2 3.41Å; L1489-T1493 PolarHBondContact O-N 3.36Å; L1489-T1493 PolarHBondContact O-OG1 2.79Å; V1490-T1493 PolarHBondContact O-N 2.62Å; V1490-T1493 PolarHBondContact O-OG1 2.85Å; R1491-T1493 VanDerWaalsContact C-N 3.29Å; R1491-T1493 PolarHBondContact O-N 2.76Å
1494	T	84.7	Confident	76.7	Confident	86 Å²	86	66 Å²	66	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-103.8	-51.5	171.8	58.2	0	0	0	0	112.4	V1490 K1496	V1490-T1494 HydrophobicContact CG1-CG2 4.15Å; V1490-T1494 PolarHBondContact O-N 3.46Å; V1490-T1494 PolarHBondContact O-OG1 3.37Å; T1494-K1496 PolarHBondContact O-N 2.97Å
1495	H	77.9	Confident	73.8	Confident	129 Å²	129	71.7 Å²	71.7	60%	0.597	39%	0.39	S	S	*	.	S	Bend	trans	-85.4	114.2	-176.5	-62.2	-91.5	0	0	0	110.8	Q758 R1491	Q758-H1495 PolarHBondContact NE2-O 3.46Å; R1491-H1495 PolarHBondContact O-N 2.8Å; R1491-H1495 VanDerWaalsContact O-N 3.14Å
1496	K	75.3	Confident	71	Confident	185 Å²	185	80.1 Å²	80.1	80%	0.804	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-74.2	127.7	170	-67.1	-179	-179.1	177.1	0	109.4	T1494	T1494-K1496 PolarHBondContact O-N 2.97Å
1497	F	73.8	Confident	68.1	Low	67 Å²	67	83.6 Å²	83.6	29%	0.294	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-63.4	141.5	172.7	-69.2	-78.5	0	0	0	110.7	L754 V755 L1492 T1499	L754-F1497 HydrophobicContact CB-CD2 4.11Å; L754-F1497 HydrophobicContact CB-CE2 4.16Å; L754-F1497 HydrophobicContact CB-CG 4.45Å; L754-F1497 HydrophobicContact CD1-CD1 4.48Å; L754-F1497 HydrophobicContact CD1-CE1 4.04Å; L754-F1497 HydrophobicContact CD1-CE2 4.47Å; L754-F1497 HydrophobicContact CD1-CZ 4.04Å; L754-F1497 HydrophobicContact CD2-CE2 4.07Å; L754-F1497 HydrophobicContact CD2-CZ 4.12Å; L754-F1497 HydrophobicContact CG-CE2 4.48Å; L754-F1497 HydrophobicContact CG-CZ 4.48Å; V755-F1497 HydrophobicContact CG2-CB 3.79Å; L1492-F1497 HydrophobicContact CD2-CE2 3.57Å; L1492-F1497 HydrophobicContact CD2-CZ 3.6Å; F1497-T1499 PolarHBondContact O-N 2.84Å
1498	P	69.4	Low	65.1	Low	115 Å²	115	86.3 Å²	86.3	75%	0.747	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-61	137.9	172.7	27.5	-34.2	0	0	0	109.6	P1500	P1498-P1500 VanDerWaalsContact O-CD 3.31Å; P1498-P1500 WeakPolarHBondContact O-CD 2.22Å
1499	T	69.8	Low	62.1	Low	51 Å²	51	92.5 Å²	92.5	31%	0.313	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-79.8	117.1	-175.1	52.6	0	0	0	0	111	Y595 V755 F1497 F1501	Y595-T1499 HydrophobicContact CE1-CG2 4.24Å; V755-T1499 HydrophobicContact CG1-CG2 4.35Å; F1497-T1499 PolarHBondContact O-N 2.84Å; T1499-F1501 PolarHBondContact O-N 2.73Å
1500	P	68.2	Low	59.3	Low	53 Å²	53	98.1 Å²	98.1	34%	0.344	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	4.2	177.3	32.5	-38.8	0	0	0	113.5	E751 E752 P1498	E751-P1500 HydrophobicContact CB-CB 4.27Å; E751-P1500 HydrophobicContact CB-CG 3.96Å; E752-P1500 HydrophobicContact CG-CG 3.76Å; P1498-P1500 VanDerWaalsContact O-CD 3.31Å; P1498-P1500 WeakPolarHBondContact O-CD 2.22Å
1501	F	66.2	Low	56.5	Low	22 Å²	22	101.9 Å²	101.9	10%	0.096	57%	0.568	C	S	.	*	T	Hydrogen-bonded Turn	trans	-92.9	13.6	-171	-63.5	-79.8	0	0	0	113.9	Y595 M598 V599 E752 V755 T1499	Y595-F1501 HydrophobicContact CD1-CB 4.13Å; Y595-F1501 HydrophobicContact CD1-CD1 4.16Å; Y595-F1501 AromaticContact CD1-CD2 3.21Å; Y595-F1501 HydrophobicContact CD1-CD2 3.21Å; Y595-F1501 HydrophobicContact CD1-CE1 4.36Å; Y595-F1501 AromaticContact CD1-CE2 3.46Å; Y595-F1501 HydrophobicContact CD1-CE2 3.46Å; Y595-F1501 VanDerWaalsContact CD1-CE2 3.46Å; Y595-F1501 AromaticContact CD1-CG 3.57Å; Y595-F1501 HydrophobicContact CD1-CG 3.57Å; Y595-F1501 HydrophobicContact CD1-CZ 4.03Å; Y595-F1501 HydrophobicContact CE1-CB 4.12Å; Y595-F1501 AromaticContact CE1-CD2 3.62Å; Y595-F1501 HydrophobicContact CE1-CD2 3.62Å; Y595-F1501 HydrophobicContact CE1-CE2 4.23Å; Y595-F1501 HydrophobicContact CE1-CG 4.01Å; Y595-F1501 HydrophobicContact CG-CD2 4.2Å; Y595-F1501 HydrophobicContact CG-CE2 4.01Å; Y595-F1501 HydrophobicContact CG-CZ 4.39Å; M598-F1501 HydrophobicContact CB-CD1 4.14Å; M598-F1501 HydrophobicContact CB-CE1 4.22Å; M598-F1501 HydrophobicContact CE-CB 3.9Å; M598-F1501 HydrophobicContact CE-CD1 3.88Å; M598-F1501 HydrophobicContact CE-CG 4.37Å; M598-F1501 HydrophobicContact SD-CB 3.88Å; M598-F1501 HydrophobicContact SD-CD1 3.7Å; M598-F1501 HydrophobicContact SD-CG 4.08Å; V599-F1501 HydrophobicContact CG2-CE1 3.86Å; V599-F1501 HydrophobicContact CG2-CZ 4.06Å; E752-F1501 HydrophobicContact CB-CE2 4.31Å; E752-F1501 HydrophobicContact CB-CZ 3.76Å; E752-F1501 HydrophobicContact CG-CE1 3.85Å; E752-F1501 HydrophobicContact CG-CE2 4.06Å; E752-F1501 HydrophobicContact CG-CZ 3.47Å; E752-F1501 VanDerWaalsContact CG-CZ 3.47Å; E752-F1501 WeakPolarHBondContact OE1-CE1 3.45Å; V755-F1501 HydrophobicContact CB-CE2 4.49Å; V755-F1501 HydrophobicContact CG1-CE2 4.21Å; T1499-F1501 PolarHBondContact O-N 2.73Å
1502	T	49.1	Very low	53.4	Low	110 Å²	110	103.2 Å²	103.2	68%	0.675	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-84.6	118.2	174.5	50.5	0	0	0	0	110.8
1503	S	36.9	Very low	50.5	Low	101 Å²	101	114.3 Å²	114.3	71%	0.706	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-55.1	156.7	159.6	-53.9	0	0	0	0	110.5	K1505	S1503-K1505 PolarHBondContact O-N 3.38Å
1504	P	30.5	Very low	47.6	Very low	120 Å²	120	123.4 Å²	123.4	78%	0.779	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-52.5	135.5	174.6	-25.2	34.5	0	0	0	111.1	H1506	P1504-H1506 PolarHBondContact O-N 3.44Å
1505	K	29.6	Very low	44.9	Very low	206 Å²	206	127.1 Å²	127.1	90%	0.896	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-62.9	121.3	167.8	-70.2	-179.1	178.8	178.1	0	107.4	S1503	S1503-K1505 PolarHBondContact O-N 3.38Å
1506	H	31.2	Very low	42.5	Very low	181 Å²	181	128.5 Å²	128.5	84%	0.838	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-55.2	137.9	166.3	-79.5	-85.9	0	0	0	109.1	P1504 S1508	P1504-H1506 PolarHBondContact O-N 3.44Å; H1506-S1508 PolarHBondContact O-N 3.48Å
1507	P	30.7	Very low	40.2	Very low	109 Å²	109	128.2 Å²	128.2	71%	0.708	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-65.3	126	177.3	26.9	-33.1	0	0	0	109.9
1508	S	27.5	Very low	38	Very low	113 Å²	113	133.7 Å²	133.7	79%	0.79	71%	0.705	S	S	*	*			trans	33.3	105.1	156.1	55	0	0	0	0	117.9	H1506	H1506-S1508 PolarHBondContact O-N 3.48Å
1509	T	29.1	Very low	36	Very low	133 Å²	133	136.5 Å²	136.5	82%	0.816	71%	0.709	S	S	*	*			trans	-128.7	118.7	151.5	-44.6	0	0	0	0	107.5
1510	P	35.5	Very low	34.5	Very low	124 Å²	124	139 Å²	139	81%	0.805	73%	0.726	S	S	*	*			trans	-76.4	164.5	-171.6	31	-35.2	0	0	0	112.8
1511	V	30.9	Very low	32.5	Very low	124 Å²	124	144.4 Å²	144.4	75%	0.752	75%	0.746	S	S	*	*			trans	-94	131.9	-170.2	173	0	0	0	0	111.8
1512	N	26.8	Very low	30.8	Very low	127 Å²	127	150.2 Å²	150.2	68%	0.679	78%	0.778	S	S	*	*			trans	54.9	126.7	161.9	-63.9	-11.9	0	0	0	119.4
1513	Y	29.8	Very low	29.8	Very low	234 Å²	234	148.7 Å²	148.7	92%	0.918	77%	0.772	S	S	*	*				-150.2	145.7	104.1	-110.9	-79.4	0	0	0	110.6
1514	Y	26.1	Very low	29.5	Very low	201 Å²	201	152.2 Å²	152.2	79%	0.788	78%	0.777	S	S	*	*			trans	-80.4	136.6	168.6	-82.7	-110.8	0	0	0	109.2
1515	H	29.9	Very low	29.5	Very low	164 Å²	164	152.3 Å²	152.3	76%	0.759	78%	0.776	S	S	*	*				-173.2	-175.6	96.4	-121.4	-27.3	0	0	0	114.5
1516	H	26.1	Very low	29.5	Very low	159 Å²	159	147 Å²	147	74%	0.736	76%	0.761	S	S	*	*			trans	-61.5	153.7	-172.3	-64.2	-83.5	0	0	0	115.5
1517	H	26.9	Very low	29.4	Very low	179 Å²	179	144.8 Å²	144.8	83%	0.829	75%	0.754	S	S	*	*			trans	-117.5	119.4	145.4	-108.7	-63.4	0	0	0	110.7
1518	H	29	Very low	29.3	Very low	181 Å²	181	146.9 Å²	146.9	84%	0.838	76%	0.755	S	S	*	*			trans	-82.1	150.3	135.1	-94.9	-94.4	0	0	0	108.1
1519	Q	27.3	Very low	29.2	Very low	175 Å²	175	146.4 Å²	146.4	82%	0.818	75%	0.751	S	S	*	*			trans	-92.3	171.1	173	-85	-174.8	-17.1	0	0	110.8
1520	P	36.8	Very low	29.1	Very low	104 Å²	104	150.2 Å²	150.2	68%	0.675	76%	0.757	S	S	*	*			cis	-137.5	172.5	-32.5	33.5	-16.1	0	0	0	112.9
1521	Q	27.7	Very low	28.7	Very low	165 Å²	165	148.2 Å²	148.2	77%	0.771	75%	0.746	S	S	*	*				159.8	146	118.8	-86.7	-152.3	-11.6	0	0	114.1
1522	L	28.9	Very low	28.5	Very low	144 Å²	144	150.7 Å²	150.7	75%	0.754	75%	0.749	S	S	*	*			trans	56.7	147.5	162.1	-85.2	76.2	0	0	0	119.6
1523	S	27.9	Very low	28.6	Very low	79 Å²	79	154.3 Å²	154.3	55%	0.552	76%	0.755	S	S	*	*			cis	-178.9	148.8	-29.9	45.3	0	0	0	0	110.5
1524	Q	30.4	Very low	28.6	Very low	174 Å²	174	149.9 Å²	149.9	81%	0.813	74%	0.742	S	S	*	*			trans	67.3	157	157.3	-72	165.3	1.9	0	0	115.5
1525	T	30.8	Very low	28.8	Very low	123 Å²	123	146 Å²	146	76%	0.755	74%	0.735	S	S	*	*			cis	-155.4	162.6	5.6	12.7	0	0	0	0	108.2
1526	T	30.2	Very low	28.6	Very low	95 Å²	95	144.8 Å²	144.8	58%	0.583	73%	0.733	S	S	*	*			cis	-176.9	121.9	-24.7	-98	0	0	0	0	110.1
1527	L	28.6	Very low	28.6	Very low	134 Å²	134	142.3 Å²	142.3	70%	0.702	73%	0.732	S	S	*	*			trans	60.1	169.6	151.1	-76.9	46.4	0	0	0	117.7
1528	E	28.7	Very low	28.8	Very low	153 Å²	153	139.2 Å²	139.2	72%	0.715	73%	0.726	S	S	*	*			cis	-152.7	139.4	-12.3	-113.7	153	178.3	0	0	107.1
1529	S	25.6	Very low	28.7	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	72%	0.722	S	S	*	*				59.8	112	80.7	-44.8	0	0	0	0	116.4
1530	F	28	Very low	28.7	Very low	214 Å²	214	136 Å²	136	94%	0.939	72%	0.721	S	S	*	*			trans	-164.4	-179.6	139.5	-114.2	-71.8	0	0	0	111
1531	S	26.8	Very low	28.3	Very low	82 Å²	82	135.9 Å²	135.9	57%	0.573	72%	0.722	S	S	*	*			trans	-136.8	158.3	-149.6	60.3	0	0	0	0	116.8
1532	Q	26.1	Very low	28.2	Very low	175 Å²	175	133.1 Å²	133.1	82%	0.818	72%	0.721	S	S	*	*			trans	69.3	132.7	158.1	-69.1	170.4	-26	0	0	119.1
1533	Y	28.6	Very low	28.2	Very low	203 Å²	203	131.7 Å²	131.7	80%	0.796	72%	0.723	S	S	*	*				-169.5	130.7	111.1	-115.5	-92.2	0	0	0	110.2
1534	H	29.7	Very low	28.2	Very low	141 Å²	141	135.9 Å²	135.9	65%	0.653	74%	0.738	S	S	*	*			trans	32.1	150.2	150.6	-69.5	-112.5	0	0	0	121.5
1535	D	30.1	Very low	28.6	Very low	120 Å²	120	132.1 Å²	132.1	64%	0.642	73%	0.729	S	S	*	*			cis	-175.2	-179.1	-4.7	-104.3	1.7	0	0	0	106.7
1536	L	27.3	Very low	28.5	Very low	139 Å²	139	133.4 Å²	133.4	73%	0.728	73%	0.731	S	S	*	*			cis	173.4	147.9	-44.7	-111.5	177.7	0	0	0	105.5
1537	C	26.2	Very low	28.5	Very low	106 Å²	106	133.5 Å²	133.5	72%	0.716	74%	0.735	S	S	*	*			trans	66.8	155.4	162.6	-64	0	0	0	0	118.4
1538	T	29.2	Very low	28.7	Very low	114 Å²	114	134.3 Å²	134.3	70%	0.699	75%	0.746	S	S	*	*			cis	-159.8	147.8	-8.4	9.9	0	0	0	0	113.6
1539	N	28.1	Very low	28.7	Very low	138 Å²	138	130 Å²	130	74%	0.738	74%	0.743	S	S	*	*			trans	45.8	127	139.2	-65.7	-8.3	0	0	0	125.5
1540	L	27.9	Very low	29	Very low	152 Å²	152	132.6 Å²	132.6	80%	0.796	75%	0.749	S	S	*	*				71.3	111.5	127.9	-74.2	163.6	0	0	0	124.1
1541	S	26.5	Very low	29.2	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	74%	0.74	S	S	*	*				77.4	121.2	126.9	65.3	0	0	0	0	124.3
1542	S	26.9	Very low	29.6	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	75%	0.745	S	S	*	*			trans	100.6	145	133.8	79.2	0	0	0	0	121.6
1543	S	29	Very low	29.9	Very low	114 Å²	114	126.9 Å²	126.9	80%	0.797	75%	0.745	S	S	*	*			trans	82.3	134.7	160.7	-38.6	0	0	0	0	120.7
1544	L	27.4	Very low	30	Very low	167 Å²	167	122.2 Å²	122.2	87%	0.874	74%	0.738	S	S	*	*			trans	-104.2	177.8	162.7	-80.8	99.6	0	0	0	108.8
1545	P	39	Very low	30.1	Very low	95 Å²	95	123.2 Å²	123.2	62%	0.617	74%	0.743	S	S	*	*			cis	-135.1	-168.9	-33.6	36	-17.6	0	0	0	112.9
1546	N	29.6	Very low	30	Very low	150 Å²	150	123.6 Å²	123.6	80%	0.802	75%	0.745	S	S	*	*			trans	69.3	158.8	156.3	-70.4	6.8	0	0	0	119
1547	S	28.7	Very low	30	Very low	96 Å²	96	122.1 Å²	122.1	67%	0.671	75%	0.745	S	S	*	*			cis	-174.1	121.9	-33	55.1	0	0	0	0	111.3
1548	T	33	Very low	30.6	Very low	152 Å²	152	122.5 Å²	122.5	93%	0.933	75%	0.746	S	S	*	*			trans	-166.1	148.3	163.4	36.3	0	0	0	0	108.2
1549	G	28.7	Very low	30.4	Very low	62 Å²	62	122 Å²	122	64%	0.639	75%	0.747	S	S	*	*			cis	146.3	120.4	-3.5	0	0	0	0	0	110.8
1550	D	32	Very low	30.5	Very low	156 Å²	156	122 Å²	122	83%	0.834	75%	0.752	S	S	*	*			trans	60	159.7	174.5	-48.9	-38.6	0	0	0	115.5
1551	D	32.9	Very low	30.7	Very low	142 Å²	142	118.3 Å²	118.3	76%	0.759	74%	0.744	S	S	*	*			cis	-144.4	165.1	17.5	-108.6	-61.5	0	0	0	109
1552	T	33.8	Very low	30.9	Very low	109 Å²	109	120.7 Å²	120.7	67%	0.669	75%	0.749	S	S	*	*			cis	-161.9	143.4	-40.2	19.6	0	0	0	0	108.3
1553	A	32.7	Very low	31.1	Very low	100 Å²	100	124.7 Å²	124.7	83%	0.826	76%	0.755	S	S	*	*			trans	-162.9	126	163.8	0	0	0	0	0	111.4
1554	T	31.8	Very low	31.3	Very low	106 Å²	106	123.4 Å²	123.4	65%	0.65	75%	0.751	S	S	*	*			trans	-153.9	148.7	-159	36.8	0	0	0	0	114.2
1555	Q	30.8	Very low	31.4	Very low	162 Å²	162	121 Å²	121	76%	0.757	75%	0.749	S	S	*	*			trans	67.1	158.7	145.3	-69.9	174.3	-85.2	0	0	118.5
1556	D	28.7	Very low	31	Very low	127 Å²	127	120.1 Å²	120.1	68%	0.679	75%	0.749	S	S	*	*			cis	-152.5	179.4	-11	-126	-39.6	0	0	0	112.9
1557	C	28.1	Very low	31	Very low	108 Å²	108	121.4 Å²	121.4	73%	0.73	75%	0.751	S	S	*	*			trans	-66.3	170.5	178.1	-55	0	0	0	0	114.9
1558	P	38.4	Very low	30.9	Very low	114 Å²	114	123 Å²	123	74%	0.74	75%	0.751	S	S	*	*				-157.1	145.5	88.5	41.1	-21.4	0	0	0	119.5
1559	S	24.9	Very low	30.6	Very low	104 Å²	104	123 Å²	123	73%	0.727	74%	0.74	S	S	*	*			trans	54.8	147	134.1	74.4	0	0	0	0	125.7
1560	V	30.5	Very low	30.5	Very low	137 Å²	137	127.2 Å²	127.2	83%	0.83	74%	0.743	S	S	*	*			trans	99.6	133.2	152.9	-176.5	0	0	0	0	119.2
1561	A	31.6	Very low	30.6	Very low	76 Å²	76	125.7 Å²	125.7	63%	0.628	74%	0.742	S	S	*	*			trans	83.1	126.6	159.2	0	0	0	0	0	122.1
1562	D	30.9	Very low	30.3	Very low	150 Å²	150	124.8 Å²	124.8	80%	0.802	74%	0.741	S	S	*	*			trans	68.4	125.3	139.4	-53.8	-15.6	0	0	0	123.9
1563	E	30.9	Very low	30	Very low	192 Å²	192	126.8 Å²	126.8	90%	0.897	75%	0.747	S	S	*	*			trans	50.8	124.9	146	-60.3	-167.5	156.4	0	0	120.4
1564	A	32.1	Very low	29.8	Very low	86 Å²	86	126.4 Å²	126.4	71%	0.711	74%	0.738	S	S	*	*			cis	-158.7	160.2	2.4	0	0	0	0	0	113.5
1565	S	29.9	Very low	29.6	Very low	118 Å²	118	128 Å²	128	83%	0.825	74%	0.743	S	S	*	*			trans	28.9	150.3	131.4	-56.4	0	0	0	0	122.8
1566	A	31.1	Very low	29.7	Very low	75 Å²	75	128.3 Å²	128.3	62%	0.62	74%	0.744	S	S	*	*			cis	-179	150	-14.5	0	0	0	0	0	110
1567	Q	28.7	Very low	29.7	Very low	178 Å²	178	128.3 Å²	128.3	83%	0.832	75%	0.749	S	S	*	*			trans	65.7	156.6	149.2	-69.3	178.7	-5.9	0	0	118.5
1568	L	28.3	Very low	30.4	Very low	130 Å²	130	128.3 Å²	128.3	68%	0.681	75%	0.748	S	S	*	*			cis	-150.9	172.8	-5.4	-126.9	165.8	0	0	0	112.1
1569	Q	25.8	Very low	30	Very low	152 Å²	152	130.1 Å²	130.1	71%	0.71	75%	0.751	S	S	*	*			trans	-67.4	177.4	160.8	-54.8	147.5	-29	0	0	109.4
1570	Q	26.6	Very low	30.3	Very low	150 Å²	150	131.2 Å²	131.2	70%	0.701	75%	0.753	S	S	*	*			cis	-161.2	-169.7	7.2	-140.8	161.7	45.8	0	0	106.3
1571	P	33.6	Very low	30.4	Very low	124 Å²	124	133 Å²	133	81%	0.805	76%	0.755	S	S	*	*			trans	-145.6	113.1	137	33.1	-16.4	0	0	0	115.3
1572	V	26.6	Very low	30.3	Very low	122 Å²	122	133.7 Å²	133.7	74%	0.739	76%	0.755	S	S	*	*			trans	-144.6	141.1	157.7	178.8	0	0	0	0	108.4
1573	L	28	Very low	30.4	Very low	151 Å²	151	133.7 Å²	133.7	79%	0.791	75%	0.753	S	S	*	*			trans	69.7	104.9	167.8	-79.7	162.9	0	0	0	121.1
1574	S	28.1	Very low	30.5	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	75%	0.747	S	S	*	*				58.5	123.4	125.8	64.4	0	0	0	0	124.1
1575	N	28.2	Very low	30.6	Very low	138 Å²	138	132.8 Å²	132.8	74%	0.738	75%	0.747	S	S	*	*			trans	93.8	132.8	132.8	-83.6	37.9	0	0	0	123.6
1576	E	32.1	Very low	30.7	Very low	169 Å²	169	132 Å²	132	79%	0.79	74%	0.741	S	S	*	*			trans	87	161.9	149	-76.6	160.7	-124.8	0	0	121.2
1577	T	28.5	Very low	30.6	Very low	128 Å²	128	132.8 Å²	132.8	79%	0.785	75%	0.748	S	S	*	*			trans	-132.7	-177.5	-148.8	52.6	0	0	0	0	109.1
1578	P	42.6	Very low	30.5	Very low	108 Å²	108	129.1 Å²	129.1	70%	0.701	74%	0.742	S	S	*	*			cis	-149.3	174.4	20.8	44.6	-23.1	0	0	0	120.5
1579	N	30.3	Very low	30.6	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	75%	0.75	S	S	*	*			trans	18.9	140	147.5	-65.5	-25.1	0	0	0	122.5
1580	V	32.9	Very low	30.7	Very low	127 Å²	127	132 Å²	132	77%	0.77	75%	0.754	S	S	*	*				-172.5	127.4	103.6	142.7	0	0	0	0	112.6
1581	M	31	Very low	30.8	Very low	175 Å²	175	131.8 Å²	131.8	86%	0.862	75%	0.752	S	S	*	*			trans	51.7	148.7	155.6	-69.9	-165.7	-177.6	0	0	121.7
1582	S	30.9	Very low	30.6	Very low	89 Å²	89	133.1 Å²	133.1	62%	0.622	75%	0.748	S	S	*	*			cis	-167.2	-179.1	-10	51.9	0	0	0	0	110.6
1583	I	32.9	Very low	30.7	Very low	151 Å²	151	133.6 Å²	133.6	77%	0.774	75%	0.745	S	S	*	*			trans	71.9	115.6	167	-59.4	168.5	0	0	0	114
1584	I	32	Very low	30.8	Very low	151 Å²	151	132.6 Å²	132.6	77%	0.774	75%	0.745	S	S	*	*			cis	-146	147.1	7.3	-97.2	155.9	0	0	0	110.7
1585	P	35.3	Very low	31	Very low	108 Å²	108	132.6 Å²	132.6	70%	0.701	75%	0.745	S	S	*	*			trans	-96.2	179.5	175.4	39.3	-34.2	0	0	0	112.8
1586	S	31.1	Very low	31.2	Very low	101 Å²	101	137.4 Å²	137.4	71%	0.706	75%	0.753	S	S	*	*			cis	-159.7	179.2	41	-52.2	0	0	0	0	109.2
1587	A	28.9	Very low	31.2	Very low	91 Å²	91	136.5 Å²	136.5	75%	0.752	75%	0.754	S	S	*	*			cis	68.8	140.8	26.3	0	0	0	0	0	115.9
1588	S	27.4	Very low	31.5	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	75%	0.752	S	S	*	*			cis	-170	170.2	-14.5	55.2	0	0	0	0	110.6
1589	L	29.2	Very low	31.2	Very low	161 Å²	161	138.2 Å²	138.2	84%	0.843	76%	0.756	S	S	*	*			trans	81.1	136.7	159	-103.7	77.6	0	0	0	123.2
1590	F	28.8	Very low	31.7	Very low	181 Å²	181	137.1 Å²	137.1	79%	0.794	75%	0.751	S	S	*	*			trans	-15.7	153.7	159	-85.9	-76.4	0	0	0	125.7
1591	H	28.6	Very low	32	Very low	145 Å²	145	138.8 Å²	138.8	67%	0.671	75%	0.75	S	S	*	*			trans	70.8	92.5	147.8	-86.8	-77.6	0	0	0	122.6
1592	E	28.4	Very low	32.4	Very low	152 Å²	152	143.6 Å²	143.6	71%	0.71	77%	0.77	S	S	*	*				88.9	147.7	106.3	-131	-172.3	161.1	0	0	124.2
1593	I	28.6	Very low	32.4	Very low	132 Å²	132	146.3 Å²	146.3	68%	0.677	78%	0.778	S	S	*	*			trans	66.3	102.9	163.3	-37.3	-177.4	0	0	0	119.8
1594	T	30.9	Very low	32.4	Very low	131 Å²	131	146.1 Å²	146.1	80%	0.804	78%	0.778	S	S	*	*				154.9	158.7	129.8	39.7	0	0	0	0	110
1595	S	31.6	Very low	32.4	Very low	92 Å²	92	145.8 Å²	145.8	64%	0.643	78%	0.778	S	S	*	*				-175.8	131.4	-54.2	49.7	0	0	0	0	109
1596	R	32.4	Very low	32.3	Very low	240 Å²	240	148 Å²	148	91%	0.906	78%	0.783	S	S	*	*			trans	67.3	163.6	167.6	-65.6	177.9	179.8	176.1	0.2	117.3
1597	N	32.8	Very low	32.3	Very low	150 Å²	150	150.9 Å²	150.9	80%	0.802	79%	0.787	S	S	*	*			cis	179	128.6	-45.4	-113.5	43.9	0	0	0	107.6
1598	T	34.6	Very low	32.6	Very low	122 Å²	122	154.9 Å²	154.9	75%	0.748	79%	0.79	S	S	*	*			trans	-162.4	128.7	153.4	20.9	0	0	0	0	109.9
1599	D	37.1	Very low	33	Very low	149 Å²	149	158.7 Å²	158.7	80%	0.797	80%	0.795	S	S	*	*			trans	62.1	138.5	144.1	-41.7	-24.5	0	0	0	119.5
1600	D	40.2	Very low	33.2	Very low	130 Å²	130	158.5 Å²	158.5	70%	0.695	79%	0.792	S	S	*	*			cis	-151.1	162.1	2.8	-157.1	7.5	0	0	0	113.8
1601	Q	39.3	Very low	33.6	Very low	162 Å²	162	156.7 Å²	156.7	76%	0.757	79%	0.791	S	S	*	*			trans	68.8	88.5	161.8	-43.7	-156.2	1.8	0	0	121.6
1602	Q	38.8	Very low	34.1	Very low	275 Å²	275	157.7 Å²	157.7	100%	1.285	80%	0.802	S	S	*	*			trans	63.2	0	144.4	-59.7	-166.2	1.4	0	0	119.9

Retrieved 1,602 of 1,602 residues in 1000.3 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).